A0A5K4F7Z7_SCHMA Loading...

Cation-transporting ATPase 13A3

AlphaFold DB , UniProt , Accession A0A5K4F7Z7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 319 aa.

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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
1M87.6Confident89.6Confident113 Ų11399.9 Ų99.956%0.55752%0.516SS*.  0126.10177.6-95.6-12500106.8V3 T17 K18 E70M1-V3 HydrophobicContact SD-CG1 4.18Å; M1-T17 WeakPolarHBondContact O-CA 3.32Å; M1-K18 HydrophobicContact CB-CG 4.27Å; M1-K18 VanDerWaalsContact CE-CE 3.49Å; M1-K18 PolarHBondContact N-O 3.5Å; M1-K18 PolarHBondContact O-N 3.08Å; M1-K18 VanDerWaalsContact O-O 3.13Å; M1-K18 HydrophobicContact SD-CD 4.4Å; M1-K18 HydrophobicContact SD-CG 4.16Å; M1-E70 PolarHBondContact N-OE1 3.28Å
2S91.9Very high89.7Confident34 Ų3496.4 Ų96.424%0.23850%0.496CS..EExtended strand (participates in β ladder)trans-130.7143.9-169.3-58.40000110.3Y16 T17 E70S2-Y16 CarbonylContact C-O 3.6Å; S2-Y16 VanDerWaalsContact CA-O 3.24Å; S2-Y16 WeakPolarHBondContact CA-O 3.35Å; S2-T17 WeakPolarHBondContact CB-OG1 3.5Å; S2-T17 WeakPolarHBondContact OG-CB 3.04Å; S2-T17 VanDerWaalsContact OG-CG2 3.22Å; S2-T17 WeakPolarHBondContact OG-CG2 3.2Å; S2-T17 PolarHBondContact OG-OG1 3Å; S2-E70 WeakPolarHBondContact OG-CG 3.45Å; S2-E70 PolarHBondContact OG-OE1 2.93Å
3V94.8Very high89.9Confident68 Ų6890.1 Ų90.141%0.41246%0.462SS..EExtended strand (participates in β ladder)trans-127.5140.4176.3-63.60000108.9M1 I15 Y16M1-V3 HydrophobicContact SD-CG1 4.18Å; V3-I15 WeakPolarHBondContact O-CA 3.41Å; V3-Y16 PolarHBondContact N-O 2.98Å; V3-Y16 PolarHBondContact O-N 3.14Å
4I94.1Very high90.2Very high59 Ų5984.7 Ų84.730%0.30343%0.434SS..EExtended strand (participates in β ladder)trans-110.1122.9175.7-47.9-175.2000107.1F13 H14 I15 I61 M64 V69I4-F13 HydrophobicContact CG2-CB 4.03Å; I4-F13 HydrophobicContact CG2-CD1 4.07Å; I4-F13 HydrophobicContact CG2-CG 4.45Å; I4-H14 CarbonylContact C-O 3.58Å; I4-H14 WeakPolarHBondContact CA-O 3.22Å; I4-I15 HydrophobicContact CD1-CG1 4.49Å; I4-I15 HydrophobicContact CG1-CG1 4.15Å; I4-I15 HydrophobicContact CG2-CG1 4.35Å; I4-I61 HydrophobicContact CB-CG2 4.49Å; I4-I61 HydrophobicContact CD1-CG2 3.78Å; I4-I61 HydrophobicContact CG2-CD1 4.33Å; I4-I61 HydrophobicContact CG2-CG2 3.95Å; I4-M64 HydrophobicContact CD1-CE 4.4Å; I4-V69 HydrophobicContact CD1-CG1 4.34Å; I4-V69 HydrophobicContact CD1-CG2 3.99Å; I4-V69 HydrophobicContact CG1-CG1 4.41Å
5T94.1Very high90.4Very high59 Ų5979.1 Ų79.136%0.36241%0.405SS..EExtended strand (participates in β ladder)trans-121.7160.7178.870.20000110F13 H14 Y16T5-F13 CarbonylContact O-C 3.59Å; T5-F13 WeakPolarHBondContact O-CA 3.06Å; T5-H14 PolarHBondContact N-O 3.02Å; T5-H14 PolarHBondContact O-N 3.49Å; T5-Y16 HydrophobicContact CG2-CD2 4.39Å; T5-Y16 WeakPolarHBondContact OG1-CE2 3.46Å
6R92.5Very high90.7Very high141 Ų14180.1 Ų80.153%0.53240%0.403SS..  trans-139.5124.7170.9-178.1174.374.3173.25.2107.7E10 Q12 F13R6-E10 WeakPolarHBondContact CD-O 3.35Å; R6-Q12 WeakPolarHBondContact CG-O 3.3Å; R6-F13 HydrophobicContact CB-CD1 3.74Å; R6-F13 HydrophobicContact CB-CE1 3.87Å; R6-F13 HydrophobicContact CB-CG 4.44Å; R6-F13 HydrophobicContact CG-CD1 4.38Å; R6-F13 HydrophobicContact CG-CE1 4.38Å
7T89.9Confident90.9Very high72 Ų7275.9 Ų75.944%0.44238%0.383SS..  trans-65.2141.8173.5-41.80000109.2K9 E10T7-K9 PolarHBondContact O-N 2.85Å; T7-E10 WeakPolarHBondContact CB-OE2 3.46Å; T7-E10 HydrophobicContact CG2-CG 4.49Å; T7-E10 PolarHBondContact O-N 2.94Å; T7-E10 VanDerWaalsContact O-N 3.15Å; T7-E10 PolarHBondContact OG1-OE2 3.27Å
8L87.4Confident91Very high161 Ų16176.9 Ų76.984%0.84338%0.384SS*.THydrogen-bonded Turntrans-59.1130.8175.6-66.8171000109.4E10L8-E10 VanDerWaalsContact C-N 3.32Å
9K83.3Confident90.9Very high217 Ų21773.9 Ų73.994%0.94337%0.374SS*.THydrogen-bonded Turntrans77.7-4.5-177.4-48.9172.8179.41780116.4T7T7-K9 PolarHBondContact O-N 2.85Å
10E85.4Confident90.6Very high77 Ų7771.8 Ų71.836%0.3637%0.369SS..  trans-87.4147172.6-71.3-176.9164.200111.9R6 T7 L8 Q12 H14R6-E10 WeakPolarHBondContact CD-O 3.35Å; T7-E10 WeakPolarHBondContact CB-OE2 3.46Å; T7-E10 HydrophobicContact CG2-CG 4.49Å; T7-E10 PolarHBondContact O-N 2.94Å; T7-E10 VanDerWaalsContact O-N 3.15Å; T7-E10 PolarHBondContact OG1-OE2 3.27Å; L8-E10 VanDerWaalsContact C-N 3.32Å; E10-Q12 HydrophobicContact CB-CG 4.45Å; E10-H14 IonicContact OE2-NE2 2.85Å; E10-H14 PolarHBondContact OE2-NE2 3.44Å
11S84.8Confident90.2Very high98 Ų9868.7 Ų68.769%0.68535%0.353SS*.SBendtrans-81.2-31.4175.552.90000112.6
12Q90.4Very high89.7Confident58 Ų5866.6 Ų66.627%0.27134%0.342SS..SBendtrans-82.3148.2-176.263.9-177.8-15.200112.6R6 E10 H14 E55R6-Q12 WeakPolarHBondContact CG-O 3.3Å; E10-Q12 HydrophobicContact CB-CG 4.45Å; Q12-H14 VanDerWaalsContact CD-CE1 3.48Å; Q12-H14 PolarHBondContact NE2-CE1 2.95Å; Q12-E55 HydrophobicContact CB-CG 4.42Å
13F93Very high89.1Confident14 Ų1469.2 Ų69.26%0.06136%0.357CS..EExtended strand (participates in β ladder)trans-98.8149.6168.8-68.4-96.4000109.8I4 T5 R6 P53 I54 A56 Y58 I61I4-F13 HydrophobicContact CG2-CB 4.03Å; I4-F13 HydrophobicContact CG2-CD1 4.07Å; I4-F13 HydrophobicContact CG2-CG 4.45Å; T5-F13 CarbonylContact O-C 3.59Å; T5-F13 WeakPolarHBondContact O-CA 3.06Å; R6-F13 HydrophobicContact CB-CD1 3.74Å; R6-F13 HydrophobicContact CB-CE1 3.87Å; R6-F13 HydrophobicContact CB-CG 4.44Å; R6-F13 HydrophobicContact CG-CD1 4.38Å; R6-F13 HydrophobicContact CG-CE1 4.38Å; F13-P53 WeakPolarHBondContact O-CA 3.37Å; F13-I54 HydrophobicContact CB-CG2 4.33Å; F13-I54 PolarHBondContact N-O 3.06Å; F13-I54 PolarHBondContact O-N 3.04Å; F13-A56 WeakPolarHBondContact CE2-O 3.47Å; F13-Y58 HydrophobicContact CE1-CD2 4.33Å; F13-Y58 HydrophobicContact CZ-CD2 4.15Å; F13-I61 HydrophobicContact CB-CD1 3.8Å; F13-I61 HydrophobicContact CD1-CD1 4.15Å; F13-I61 HydrophobicContact CD1-CG1 4.17Å; F13-I61 HydrophobicContact CD2-CD1 3.79Å; F13-I61 HydrophobicContact CD2-CG1 3.82Å; F13-I61 HydrophobicContact CE1-CG1 4.26Å; F13-I61 HydrophobicContact CE2-CD1 4.41Å; F13-I61 HydrophobicContact CE2-CG1 3.93Å; F13-I61 HydrophobicContact CG-CD1 3.64Å; F13-I61 HydrophobicContact CG-CG1 3.96Å; F13-I61 HydrophobicContact CZ-CG1 4.15Å
14H93.7Very high88.2Confident15 Ų1566.7 Ų66.77%0.06934%0.341CS..EExtended strand (participates in β ladder)trans-116.1126175.6-65.3-62.8000110I4 T5 E10 Q12 Y16 W51I4-H14 CarbonylContact C-O 3.58Å; I4-H14 WeakPolarHBondContact CA-O 3.22Å; T5-H14 PolarHBondContact N-O 3.02Å; T5-H14 PolarHBondContact O-N 3.49Å; E10-H14 IonicContact OE2-NE2 2.85Å; E10-H14 PolarHBondContact OE2-NE2 3.44Å; Q12-H14 VanDerWaalsContact CD-CE1 3.48Å; Q12-H14 PolarHBondContact NE2-CE1 2.95Å; H14-Y16 HydrophobicContact CB-CD2 4.37Å; H14-Y16 HydrophobicContact CB-CE2 3.62Å; H14-W51 AromaticContact CE1-CZ2 3.89Å; H14-W51 AromaticContact CG-NE1 3.6Å; H14-W51 AromaticContact ND1-CE2 3.61Å; H14-W51 AromaticContact ND1-CZ2 3.52Å; H14-W51 AromaticContact ND1-NE1 3.14Å; H14-W51 PolarHBondContact ND1-NE1 3.41Å; H14-W51 VanDerWaalsContact ND1-NE1 3.14Å
15I93.9Very high86.9Confident0 Ų068.3 Ų68.30%035%0.347CS..EExtended strand (participates in β ladder)trans-96.3129.2172.6-59.8171000107V3 I4 W51 R52 I54 V69 L73V3-I15 WeakPolarHBondContact O-CA 3.41Å; I4-I15 HydrophobicContact CD1-CG1 4.49Å; I4-I15 HydrophobicContact CG1-CG1 4.15Å; I4-I15 HydrophobicContact CG2-CG1 4.35Å; I15-W51 CarbonylContact O-C 3.56Å; I15-W51 WeakPolarHBondContact O-CA 3.29Å; I15-W51 VanDerWaalsContact O-CD1 3.24Å; I15-R52 HydrophobicContact CB-CB 4.45Å; I15-R52 PolarHBondContact N-O 3.09Å; I15-R52 PolarHBondContact O-N 3.43Å; I15-I54 HydrophobicContact CD1-CB 4.44Å; I15-I54 HydrophobicContact CD1-CD1 3.84Å; I15-I54 HydrophobicContact CD1-CG1 4.44Å; I15-V69 HydrophobicContact CD1-CG1 4.12Å; I15-V69 HydrophobicContact CG1-CG1 4.4Å; I15-V69 HydrophobicContact CG2-CG1 3.53Å; I15-L73 HydrophobicContact CG2-CD2 4.14Å
16Y94.8Very high85.8Confident96 Ų9666.5 Ų66.538%0.37634%0.336SS..EExtended strand (participates in β ladder)trans-119.1130.4169.4-62.2-86.8000108.9S2 V3 T5 H14 A50 W51 L76S2-Y16 CarbonylContact C-O 3.6Å; S2-Y16 VanDerWaalsContact CA-O 3.24Å; S2-Y16 WeakPolarHBondContact CA-O 3.35Å; V3-Y16 PolarHBondContact N-O 2.98Å; V3-Y16 PolarHBondContact O-N 3.14Å; T5-Y16 HydrophobicContact CG2-CD2 4.39Å; T5-Y16 WeakPolarHBondContact OG1-CE2 3.46Å; H14-Y16 HydrophobicContact CB-CD2 4.37Å; H14-Y16 HydrophobicContact CB-CE2 3.62Å; Y16-A50 WeakPolarHBondContact CA-O 3.33Å; Y16-W51 HydrophobicContact CD1-CB 4.11Å; Y16-W51 AromaticContact CD1-CD1 3.72Å; Y16-W51 HydrophobicContact CD1-CG 4.28Å; Y16-W51 HydrophobicContact CE1-CB 4.26Å; Y16-W51 AromaticContact CE1-CD1 3.33Å; Y16-W51 HydrophobicContact CE1-CG 4.03Å; Y16-W51 AromaticContact CZ-CD1 3.58Å; Y16-W51 AromaticContact CZ-NE1 3.97Å; Y16-L76 HydrophobicContact CD1-CD1 4.26Å; Y16-L76 HydrophobicContact CE1-CD1 4.45Å
17T93.7Very high84.6Confident8 Ų864.7 Ų64.75%0.04934%0.336CS..EExtended strand (participates in β ladder)trans-124.9132.6-178.6-610000109.5M1 S2 I24 L49 A50 E70 L73M1-T17 WeakPolarHBondContact O-CA 3.32Å; S2-T17 WeakPolarHBondContact CB-OG1 3.5Å; S2-T17 WeakPolarHBondContact OG-CB 3.04Å; S2-T17 VanDerWaalsContact OG-CG2 3.22Å; S2-T17 WeakPolarHBondContact OG-CG2 3.2Å; S2-T17 PolarHBondContact OG-OG1 3Å; T17-I24 HydrophobicContact CG2-CD1 4.39Å; T17-L49 WeakPolarHBondContact O-CA 3.42Å; T17-A50 PolarHBondContact N-O 2.95Å; T17-A50 PolarHBondContact O-N 3.29Å; T17-E70 HydrophobicContact CG2-CG 4.39Å; T17-L73 HydrophobicContact CG2-CD1 3.86Å; T17-L73 WeakPolarHBondContact OG1-CD1 3.46Å
18K93.1Very high84Confident95 Ų9564.9 Ų64.941%0.41333%0.334SS..EExtended strand (participates in β ladder)trans-118.3143.5167.270.1175.9-177.1178.90110.5M1 A48 L49M1-K18 HydrophobicContact CB-CG 4.27Å; M1-K18 VanDerWaalsContact CE-CE 3.49Å; M1-K18 PolarHBondContact N-O 3.5Å; M1-K18 PolarHBondContact O-N 3.08Å; M1-K18 VanDerWaalsContact O-O 3.13Å; M1-K18 HydrophobicContact SD-CD 4.4Å; M1-K18 HydrophobicContact SD-CG 4.16Å; K18-A48 WeakPolarHBondContact CA-O 3.49Å; K18-L49 HydrophobicContact CB-CD2 3.67Å
19G89.4Confident83.4Confident19 Ų1960.2 Ų60.220%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-174.3-179.1-175.900000113.1L47 A48G19-L47 WeakPolarHBondContact O-CA 3.47Å; G19-A48 PolarHBondContact N-O 3.35Å; G19-A48 PolarHBondContact O-N 3.03Å
20A83.3Confident83Confident32 Ų3256.4 Ų56.426%0.26431%0.308SS..  trans-64.6135.3171.600000109.1E22 T23 I24A20-E22 HydrophobicContact CB-CG 4.44Å; A20-E22 WeakPolarHBondContact CB-OE1 3.37Å; A20-E22 WeakPolarHBondContact CB-OE2 3.25Å; A20-E22 PolarHBondContact O-N 3.08Å; A20-E22 VanDerWaalsContact O-N 3.1Å; A20-T23 PolarHBondContact O-N 2.97Å; A20-I24 PolarHBondContact O-N 3.23Å
21P83.2Confident82.8Confident7 Ų757.8 Ų57.85%0.04532%0.319CS..THydrogen-bonded Turntrans-47.3-35.8179-32.839.8000114.9F32 L36 V46 A48 L78P21-F32 HydrophobicContact CB-CE1 4.19Å; P21-F32 HydrophobicContact CB-CZ 3.7Å; P21-L36 HydrophobicContact CB-CD1 3.78Å; P21-L36 HydrophobicContact CB-CD2 3.58Å; P21-L36 HydrophobicContact CB-CG 4.32Å; P21-L36 HydrophobicContact CG-CD1 3.55Å; P21-L36 HydrophobicContact CG-CD2 4.31Å; P21-V46 WeakPolarHBondContact CD-O 3.35Å; P21-V46 HydrophobicContact CG-CB 4.41Å; P21-V46 HydrophobicContact CG-CG1 4Å; P21-A48 HydrophobicContact CB-CB 4.41Å; P21-A48 HydrophobicContact CG-CB 4.39Å; P21-L78 HydrophobicContact CG-CD2 4.41Å
22E77.5Confident82.7Confident69 Ų6953.9 Ų53.932%0.32229%0.289SS..THydrogen-bonded Turntrans-85.1-4.2-179.570.8-84.1-164.100114.9A20 H110 K300A20-E22 HydrophobicContact CB-CG 4.44Å; A20-E22 WeakPolarHBondContact CB-OE1 3.37Å; A20-E22 WeakPolarHBondContact CB-OE2 3.25Å; A20-E22 PolarHBondContact O-N 3.08Å; A20-E22 VanDerWaalsContact O-N 3.1Å; E22-H110 IonicContact OE1-CD2 2.99Å; E22-H110 IonicContact OE2-CD2 3.97Å; E22-K300 PolarHBondContact O-NZ 3.31Å; E22-K300 VanDerWaalsContact O-NZ 3.15Å
23T78.4Confident82.2Confident88 Ų8855.1 Ų55.154%0.5429%0.291SS..THydrogen-bonded Turntrans-110.1-23.8-178.2-58.50000111.6A20 E25A20-T23 PolarHBondContact O-N 2.97Å; T23-E25 PolarHBondContact O-N 3.15Å
24I76.5Confident81.7Confident15 Ų1558.3 Ų58.38%0.07732%0.315CS..SBendtrans-77.5112175.7-52.6-168.9000108.3T17 A20 V26 A48 A50 L73T17-I24 HydrophobicContact CG2-CD1 4.39Å; A20-I24 PolarHBondContact O-N 3.23Å; I24-V26 VanDerWaalsContact C-N 3.33Å; I24-V26 HydrophobicContact CB-CG2 4.14Å; I24-V26 HydrophobicContact CG2-CB 4.19Å; I24-V26 HydrophobicContact CG2-CG1 3.49Å; I24-V26 VanDerWaalsContact CG2-CG1 3.49Å; I24-V26 HydrophobicContact CG2-CG2 3.74Å; I24-V26 WeakPolarHBondContact O-CG2 3.39Å; I24-V26 PolarHBondContact O-N 3.12Å; I24-A48 HydrophobicContact CD1-CB 3.54Å; I24-A48 WeakPolarHBondContact CD1-O 3.42Å; I24-A48 HydrophobicContact CG1-CB 4.19Å; I24-A50 HydrophobicContact CD1-CB 4.45Å; I24-A50 HydrophobicContact CG2-CB 3.77Å; I24-L73 HydrophobicContact CG2-CD1 4.11Å
25E66.1Low81.3Confident94 Ų9461.1 Ų61.144%0.43933%0.331SS..  trans-75.887.1172.3-166.4-179.7-154.700108.9T23 H71T23-E25 PolarHBondContact O-N 3.15Å; E25-H71 IonicContact OE2-CE1 3.51Å; E25-H71 IonicContact OE2-ND1 2.9Å; E25-H71 PolarHBondContact OE2-ND1 3.28Å
26V71.7Confident80.9Confident20 Ų2061.2 Ų61.212%0.12133%0.331CS..EExtended strand (participates in β ladder)trans-128.6153180-850000110.1I24 L28 A50 L73 F75I24-V26 VanDerWaalsContact C-N 3.33Å; I24-V26 HydrophobicContact CB-CG2 4.14Å; I24-V26 HydrophobicContact CG2-CB 4.19Å; I24-V26 HydrophobicContact CG2-CG1 3.49Å; I24-V26 VanDerWaalsContact CG2-CG1 3.49Å; I24-V26 HydrophobicContact CG2-CG2 3.74Å; I24-V26 WeakPolarHBondContact O-CG2 3.39Å; I24-V26 PolarHBondContact O-N 3.12Å; V26-L28 HydrophobicContact CG2-CD2 3.47Å; V26-L28 VanDerWaalsContact CG2-CD2 3.47Å; V26-L28 HydrophobicContact CG2-CG 4.07Å; V26-L28 PolarHBondContact O-N 3Å; V26-L28 VanDerWaalsContact O-N 3.08Å; V26-A50 HydrophobicContact CG1-CB 3.63Å; V26-L73 HydrophobicContact CG1-CB 3.64Å; V26-L73 VanDerWaalsContact CG1-O 3.29Å; V26-L73 WeakPolarHBondContact CG1-O 3.25Å; V26-F75 HydrophobicContact CB-CB 4.08Å; V26-F75 HydrophobicContact CG1-CB 4.33Å; V26-F75 HydrophobicContact CG2-CB 4.21Å; V26-F75 HydrophobicContact CG2-CD2 4.18Å
27L67.5Low80.3Confident104 Ų10459.2 Ų59.255%0.54533%0.327SS..EExtended strand (participates in β ladder)trans-63.4108.3160.3-95147.8000109I262L27-I262 HydrophobicContact CD1-CD1 4.42Å; L27-I262 HydrophobicContact CD2-CD1 3.9Å; L27-I262 HydrophobicContact CG-CD1 4.08Å
28L76.9Confident79.9Confident76 Ų7663.2 Ų63.240%0.39835%0.345SS..  trans-90.4138.3-177.9-66.7171.6000110.9V26 F32 F75V26-L28 HydrophobicContact CG2-CD2 3.47Å; V26-L28 VanDerWaalsContact CG2-CD2 3.47Å; V26-L28 HydrophobicContact CG2-CG 4.07Å; V26-L28 PolarHBondContact O-N 3Å; V26-L28 VanDerWaalsContact O-N 3.08Å; L28-F32 HydrophobicContact CB-CB 4.18Å; L28-F32 HydrophobicContact CB-CD1 4.31Å; L28-F32 HydrophobicContact CB-CG 4.23Å; L28-F32 HydrophobicContact CD1-CD1 3.6Å; L28-F32 HydrophobicContact CD1-CE1 3.59Å; L28-F32 HydrophobicContact CD1-CG 4.3Å; L28-F32 HydrophobicContact CD1-CZ 4.29Å; L28-F32 HydrophobicContact CD2-CD1 3.77Å; L28-F32 HydrophobicContact CD2-CD2 3.71Å; L28-F32 HydrophobicContact CD2-CE1 3.66Å; L28-F32 HydrophobicContact CD2-CE2 3.58Å; L28-F32 HydrophobicContact CD2-CG 3.76Å; L28-F32 HydrophobicContact CD2-CZ 3.52Å; L28-F32 HydrophobicContact CG-CD1 4.09Å; L28-F32 HydrophobicContact CG-CE1 4.21Å; L28-F32 HydrophobicContact CG-CG 4.31Å; L28-F75 HydrophobicContact CD2-CD2 4.15Å; L28-F75 HydrophobicContact CD2-CE2 4.5Å; L28-F75 HydrophobicContact CD2-CG 4.38Å
29P75.1Confident79.6Confident63 Ų6361.6 Ų61.641%0.40934%0.338SS..  trans-65.4150.9170.324.4-29.1000110.8N31 F32 F75P29-N31 PolarHBondContact O-N 3.28Å; P29-N31 VanDerWaalsContact O-N 3.08Å; P29-F32 HydrophobicContact CG-CB 4.16Å; P29-F32 WeakPolarHBondContact O-CB 3.3Å; P29-F32 PolarHBondContact O-N 3.06Å; P29-F75 HydrophobicContact CG-CD1 3.92Å; P29-F75 HydrophobicContact CG-CE1 3.95Å
30T75.5Confident79.3Confident136 Ų13660.8 Ų60.883%0.83433%0.329SS*.THydrogen-bonded Turntrans-55.2-32.7-174.5490000114.2
31N80.2Confident79.2Confident107 Ų10763.2 Ų63.257%0.57233%0.332SS*.THydrogen-bonded Turntrans-87.1-2.1-179.2-63.4-25.5000114.2P29 R33 S34 N35P29-N31 PolarHBondContact O-N 3.28Å; P29-N31 VanDerWaalsContact O-N 3.08Å; N31-R33 VanDerWaalsContact C-N 3.3Å; N31-R33 PolarHBondContact O-N 3.27Å; N31-S34 PolarHBondContact O-N 2.96Å; N31-N35 PolarHBondContact O-N 3.38Å; N31-N35 PolarHBondContact O-ND2 2.9Å
32F83.1Confident79.3Confident16 Ų1668.3 Ų68.37%0.0735%0.353CS..Hα-helixtrans-55.9-46.1-175.3176.7-98.3000112.3P21 L28 P29 S34 N35 L36 F75 L78P21-F32 HydrophobicContact CB-CE1 4.19Å; P21-F32 HydrophobicContact CB-CZ 3.7Å; L28-F32 HydrophobicContact CB-CB 4.18Å; L28-F32 HydrophobicContact CB-CD1 4.31Å; L28-F32 HydrophobicContact CB-CG 4.23Å; L28-F32 HydrophobicContact CD1-CD1 3.6Å; L28-F32 HydrophobicContact CD1-CE1 3.59Å; L28-F32 HydrophobicContact CD1-CG 4.3Å; L28-F32 HydrophobicContact CD1-CZ 4.29Å; L28-F32 HydrophobicContact CD2-CD1 3.77Å; L28-F32 HydrophobicContact CD2-CD2 3.71Å; L28-F32 HydrophobicContact CD2-CE1 3.66Å; L28-F32 HydrophobicContact CD2-CE2 3.58Å; L28-F32 HydrophobicContact CD2-CG 3.76Å; L28-F32 HydrophobicContact CD2-CZ 3.52Å; L28-F32 HydrophobicContact CG-CD1 4.09Å; L28-F32 HydrophobicContact CG-CE1 4.21Å; L28-F32 HydrophobicContact CG-CG 4.31Å; P29-F32 HydrophobicContact CG-CB 4.16Å; P29-F32 WeakPolarHBondContact O-CB 3.3Å; P29-F32 PolarHBondContact O-N 3.06Å; F32-S34 PolarHBondContact O-N 3.26Å; F32-N35 PolarHBondContact O-N 2.87Å; F32-L36 HydrophobicContact CE1-CD2 4.05Å; F32-L36 VanDerWaalsContact O-CB 3.31Å; F32-L36 WeakPolarHBondContact O-CB 3.46Å; F32-L36 PolarHBondContact O-N 3.11Å; F32-F75 HydrophobicContact CD2-CE1 4.08Å; F32-F75 HydrophobicContact CD2-CE2 4.03Å; F32-F75 AromaticContact CD2-CZ 3.62Å; F32-F75 HydrophobicContact CD2-CZ 3.62Å; F32-F75 HydrophobicContact CE2-CD2 4.32Å; F32-F75 HydrophobicContact CE2-CE1 4.37Å; F32-F75 AromaticContact CE2-CE2 3.48Å; F32-F75 HydrophobicContact CE2-CE2 3.48Å; F32-F75 VanDerWaalsContact CE2-CE2 3.48Å; F32-F75 AromaticContact CE2-CZ 3.5Å; F32-F75 HydrophobicContact CE2-CZ 3.5Å; F32-F75 VanDerWaalsContact CE2-CZ 3.5Å; F32-F75 HydrophobicContact CZ-CE2 4.47Å; F32-L78 HydrophobicContact CD2-CD1 4.43Å; F32-L78 HydrophobicContact CD2-CD2 4.27Å; F32-L78 HydrophobicContact CD2-CG 4.42Å; F32-L78 HydrophobicContact CE2-CD1 4.32Å; F32-L78 HydrophobicContact CE2-CD2 3.44Å; F32-L78 VanDerWaalsContact CE2-CD2 3.44Å; F32-L78 HydrophobicContact CE2-CG 4.05Å; F32-L78 HydrophobicContact CZ-CD2 4.08Å
33R78.9Confident79.6Confident84 Ų8465.2 Ų65.232%0.31734%0.34SS..Hα-helixtrans-64-45-174.5-170.1176.9-179.1116.215.9112.3N31 L36 L37 F268N31-R33 VanDerWaalsContact C-N 3.3Å; N31-R33 PolarHBondContact O-N 3.27Å; R33-L36 PolarHBondContact O-N 3.32Å; R33-L37 WeakPolarHBondContact O-CB 3.2Å; R33-L37 PolarHBondContact O-N 3.02Å; R33-F268 HydrophobicContact CG-CE2 4.41Å; R33-F268 VanDerWaalsContact CZ-CD2 3.47Å; R33-F268 PolarHBondContact NH2-O 2.8Å; R33-F268 VanDerWaalsContact NH2-O 3.08Å
34S82.4Confident80.2Confident80 Ų8063.7 Ų63.756%0.55933%0.326SS*.Hα-helixtrans-64.1-45.1179.6-53.20000111.5N31 F32 L37 E38N31-S34 PolarHBondContact O-N 2.96Å; F32-S34 PolarHBondContact O-N 3.26Å; S34-L37 PolarHBondContact O-N 3.03Å; S34-E38 PolarHBondContact O-N 3.45Å
35N85Confident80.8Confident74 Ų7467.5 Ų67.540%0.39634%0.339SS..Hα-helixtrans-64.7-44.4178.1-71-25.2000111.8N31 F32 L37 E38 F39N31-N35 PolarHBondContact O-N 3.38Å; N31-N35 PolarHBondContact O-ND2 2.9Å; F32-N35 PolarHBondContact O-N 2.87Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.3Å; N35-E38 PolarHBondContact O-N 3.26Å; N35-F39 HydrophobicContact CB-CE2 4.34Å; N35-F39 WeakPolarHBondContact O-CD2 3.35Å; N35-F39 PolarHBondContact O-N 3.48Å
36L85.6Confident82Confident3 Ų363.6 Ų63.62%0.01632%0.322CS..Hα-helixtrans-57.8-45.8176.2175.662.4000111.2P21 F32 R33 E38 F39 T40 V46 F268P21-L36 HydrophobicContact CB-CD1 3.78Å; P21-L36 HydrophobicContact CB-CD2 3.58Å; P21-L36 HydrophobicContact CB-CG 4.32Å; P21-L36 HydrophobicContact CG-CD1 3.55Å; P21-L36 HydrophobicContact CG-CD2 4.31Å; F32-L36 HydrophobicContact CE1-CD2 4.05Å; F32-L36 VanDerWaalsContact O-CB 3.31Å; F32-L36 WeakPolarHBondContact O-CB 3.46Å; F32-L36 PolarHBondContact O-N 3.11Å; R33-L36 PolarHBondContact O-N 3.32Å; L36-E38 VanDerWaalsContact C-N 3.35Å; L36-E38 PolarHBondContact O-N 2.81Å; L36-F39 PolarHBondContact O-N 3.32Å; L36-T40 HydrophobicContact CD1-CG2 3.75Å; L36-T40 HydrophobicContact CG-CG2 4.34Å; L36-T40 WeakPolarHBondContact O-CB 3.35Å; L36-T40 VanDerWaalsContact O-CG2 3.27Å; L36-T40 WeakPolarHBondContact O-CG2 3.31Å; L36-T40 PolarHBondContact O-N 2.91Å; L36-T40 PolarHBondContact O-OG1 2.67Å; L36-V46 HydrophobicContact CD1-CB 3.95Å; L36-V46 HydrophobicContact CD1-CG1 3.69Å; L36-V46 HydrophobicContact CD1-CG2 4.37Å; L36-F268 HydrophobicContact CD2-CE2 4.25Å; L36-F268 HydrophobicContact CD2-CZ 4.13Å
37L83Confident82.9Confident53 Ų5364 Ų6428%0.27732%0.323SS..Hα-helixtrans-63.9-41179.2-173.464.7000111.6R33 S34 N35 T40 R41 L112 L272R33-L37 WeakPolarHBondContact O-CB 3.2Å; R33-L37 PolarHBondContact O-N 3.02Å; S34-L37 PolarHBondContact O-N 3.03Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.3Å; L37-T40 WeakPolarHBondContact CA-OG1 3.17Å; L37-T40 PolarHBondContact O-OG1 3.21Å; L37-R41 HydrophobicContact CD1-CG 4.25Å; L37-R41 HydrophobicContact CG-CG 4.41Å; L37-R41 VanDerWaalsContact O-CB 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.46Å; L37-R41 WeakPolarHBondContact O-CG 3.4Å; L37-R41 PolarHBondContact O-N 3.41Å; L37-L112 HydrophobicContact CD1-CD1 3.47Å; L37-L112 VanDerWaalsContact CD1-CD1 3.47Å; L37-L272 HydrophobicContact CD1-CD2 4.3Å
38E86Confident84Confident92 Ų9259 Ų5943%0.4330%0.297SS..Hα-helixtrans-62.2-47.1178.1-167.6-171.2153.800111.9S34 N35 L36 K42S34-E38 PolarHBondContact O-N 3.45Å; N35-E38 PolarHBondContact O-N 3.26Å; L36-E38 VanDerWaalsContact C-N 3.35Å; L36-E38 PolarHBondContact O-N 2.81Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 3.15Å; E38-K42 IonicContact OE1-NZ 3.91Å; E38-K42 PolarHBondContact OE1-NZ 3.16Å
39F87Confident84.8Confident61 Ų6158.3 Ų58.327%0.26829%0.294SS..Hα-helixtrans-69.3-42.9-180-68.6-55.7000112.6N35 L36 R41 K42 G43 F44 V46 V80N35-F39 HydrophobicContact CB-CE2 4.34Å; N35-F39 WeakPolarHBondContact O-CD2 3.35Å; N35-F39 PolarHBondContact O-N 3.48Å; L36-F39 PolarHBondContact O-N 3.32Å; F39-R41 PolarHBondContact O-N 3.41Å; F39-K42 PolarHBondContact O-N 2.88Å; F39-G43 PolarHBondContact O-N 3.23Å; F39-F44 HydrophobicContact CB-CB 4.42Å; F39-F44 HydrophobicContact CB-CD2 4.47Å; F39-F44 HydrophobicContact CD1-CD2 4.19Å; F39-F44 WeakPolarHBondContact O-CB 3.4Å; F39-F44 WeakPolarHBondContact O-CD2 3.39Å; F39-F44 PolarHBondContact O-N 3.03Å; F39-F44 VanDerWaalsContact O-N 3.15Å; F39-V46 HydrophobicContact CB-CG2 3.59Å; F39-V80 HydrophobicContact CB-CG1 4.26Å; F39-V80 HydrophobicContact CB-CG2 4.47Å; F39-V80 HydrophobicContact CD1-CG1 3.79Å; F39-V80 HydrophobicContact CD1-CG2 4.15Å; F39-V80 HydrophobicContact CD2-CG2 3.74Å; F39-V80 HydrophobicContact CE1-CG1 4.32Å; F39-V80 HydrophobicContact CE1-CG2 4.33Å; F39-V80 HydrophobicContact CE2-CG2 3.93Å; F39-V80 HydrophobicContact CG-CG1 4.02Å; F39-V80 HydrophobicContact CG-CG2 3.87Å; F39-V80 HydrophobicContact CZ-CG2 4.23Å
40T82.7Confident85.6Confident2 Ų255.4 Ų55.41%0.01227%0.274CS..Hα-helixtrans-67.9-35.3179.953.70000112.1L36 L37 K42 G43 V46 L112L36-T40 HydrophobicContact CD1-CG2 3.75Å; L36-T40 HydrophobicContact CG-CG2 4.34Å; L36-T40 WeakPolarHBondContact O-CB 3.35Å; L36-T40 VanDerWaalsContact O-CG2 3.27Å; L36-T40 WeakPolarHBondContact O-CG2 3.31Å; L36-T40 PolarHBondContact O-N 2.91Å; L36-T40 PolarHBondContact O-OG1 2.67Å; L37-T40 WeakPolarHBondContact CA-OG1 3.17Å; L37-T40 PolarHBondContact O-OG1 3.21Å; T40-K42 VanDerWaalsContact C-N 3.3Å; T40-K42 PolarHBondContact O-N 3.35Å; T40-G43 PolarHBondContact O-N 3.06Å; T40-G43 VanDerWaalsContact O-N 3.09Å; T40-V46 HydrophobicContact CG2-CB 4.38Å; T40-V46 HydrophobicContact CG2-CG2 3.97Å; T40-L112 CarbonylContact O-C 2.93Å
41R80.8Confident86.5Confident84 Ų8451.9 Ų51.932%0.31725%0.246SC..Hα-helixtrans-62.9-34172.5-81.2178.6168.9174.7-6.3113.4L37 F39 G43 L112L37-R41 HydrophobicContact CD1-CG 4.25Å; L37-R41 HydrophobicContact CG-CG 4.41Å; L37-R41 VanDerWaalsContact O-CB 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.46Å; L37-R41 WeakPolarHBondContact O-CG 3.4Å; L37-R41 PolarHBondContact O-N 3.41Å; F39-R41 PolarHBondContact O-N 3.41Å; R41-G43 PolarHBondContact O-N 3.23Å; R41-L112 HydrophobicContact CG-CD1 4.42Å
42K84.7Confident87Confident113 Ų11349 Ų4949%0.49123%0.227SC..THydrogen-bonded Turntrans-76.1-1.8175.5-71.1172.6178.9171.20113.2E38 F39 T40 F44E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 3.15Å; E38-K42 IonicContact OE1-NZ 3.91Å; E38-K42 PolarHBondContact OE1-NZ 3.16Å; F39-K42 PolarHBondContact O-N 2.88Å; T40-K42 VanDerWaalsContact C-N 3.3Å; T40-K42 PolarHBondContact O-N 3.35Å; K42-F44 HydrophobicContact CB-CD2 3.55Å; K42-F44 HydrophobicContact CB-CE2 3.5Å; K42-F44 VanDerWaalsContact CB-CE2 3.5Å; K42-F44 HydrophobicContact CD-CD2 4.44Å; K42-F44 HydrophobicContact CD-CE2 3.92Å; K42-F44 HydrophobicContact CG-CE2 4.33Å
43G84.9Confident87.4Confident5 Ų550.6 Ų50.65%0.05224%0.239CC..THydrogen-bonded Turntrans82.715.1179.600000114.5F39 T40 R41 S116F39-G43 PolarHBondContact O-N 3.23Å; T40-G43 PolarHBondContact O-N 3.06Å; T40-G43 VanDerWaalsContact O-N 3.09Å; R41-G43 PolarHBondContact O-N 3.23Å; G43-S116 VanDerWaalsContact CA-CB 3.46Å; G43-S116 WeakPolarHBondContact CA-OG 3.36Å; G43-S116 PolarHBondContact N-OG 3.39Å
44F89.7Confident88Confident55 Ų5547.9 Ų47.924%0.24123%0.231CC..EExtended strand (participates in β ladder)trans-75.8144.6173.2-64.6-74.3000111F39 K42 V46 V80 M81 E82 T113F39-F44 HydrophobicContact CB-CB 4.42Å; F39-F44 HydrophobicContact CB-CD2 4.47Å; F39-F44 HydrophobicContact CD1-CD2 4.19Å; F39-F44 WeakPolarHBondContact O-CB 3.4Å; F39-F44 WeakPolarHBondContact O-CD2 3.39Å; F39-F44 PolarHBondContact O-N 3.03Å; F39-F44 VanDerWaalsContact O-N 3.15Å; K42-F44 HydrophobicContact CB-CD2 3.55Å; K42-F44 HydrophobicContact CB-CE2 3.5Å; K42-F44 VanDerWaalsContact CB-CE2 3.5Å; K42-F44 HydrophobicContact CD-CD2 4.44Å; K42-F44 HydrophobicContact CD-CE2 3.92Å; K42-F44 HydrophobicContact CG-CE2 4.33Å; F44-V46 HydrophobicContact CB-CG2 4.45Å; F44-V80 HydrophobicContact CB-CG1 3.52Å; F44-V80 HydrophobicContact CD1-CG1 3.96Å; F44-V80 HydrophobicContact CD2-CG1 4.2Å; F44-V80 HydrophobicContact CG-CG1 3.64Å; F44-M81 CarbonylContact C-O 3.51Å; F44-M81 WeakPolarHBondContact CA-O 3.01Å; F44-E82 HydrophobicContact CD1-CB 4Å; F44-E82 HydrophobicContact CD1-CG 4.32Å; F44-E82 HydrophobicContact CE1-CB 3.79Å; F44-E82 HydrophobicContact CE1-CG 3.85Å; F44-T113 WeakPolarHBondContact O-CG2 3.2Å; F44-T113 PolarHBondContact O-OG1 3.41Å
45R90.4Very high88.4Confident95 Ų9551.8 Ų51.836%0.35824%0.24SC..EExtended strand (participates in β ladder)trans-79.4117.6165.2-177.1177-175.5113.515.7108.2M81 D109R45-M81 HydrophobicContact CB-CB 4.38Å; R45-M81 HydrophobicContact CB-CE 4.4Å; R45-M81 HydrophobicContact CG-CE 3.95Å; R45-M81 PolarHBondContact N-O 2.97Å; R45-M81 PolarHBondContact O-N 2.94Å; R45-D109 IonicContact CZ-OD1 3.61Å; R45-D109 IonicContact NE-OD1 3.49Å; R45-D109 IonicContact NH1-OD1 2.67Å; R45-D109 PolarHBondContact NH1-OD1 3.27Å; R45-D109 IonicContact NH1-OD2 3.98Å; R45-D109 PolarHBondContact NH1-OD2 3.25Å; R45-D109 IonicContact NH2-OD1 2.63Å; R45-D109 PolarHBondContact NH2-OD1 3.01Å
46V90.1Very high88.4Confident12 Ų1249.2 Ų49.27%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-111.7128.1-178.7-173.80000109.4P21 L36 F39 T40 F44 L78 L79 V80P21-V46 WeakPolarHBondContact CD-O 3.35Å; P21-V46 HydrophobicContact CG-CB 4.41Å; P21-V46 HydrophobicContact CG-CG1 4Å; L36-V46 HydrophobicContact CD1-CB 3.95Å; L36-V46 HydrophobicContact CD1-CG1 3.69Å; L36-V46 HydrophobicContact CD1-CG2 4.37Å; F39-V46 HydrophobicContact CB-CG2 3.59Å; T40-V46 HydrophobicContact CG2-CB 4.38Å; T40-V46 HydrophobicContact CG2-CG2 3.97Å; F44-V46 HydrophobicContact CB-CG2 4.45Å; V46-L78 HydrophobicContact CG1-CB 4.19Å; V46-L78 HydrophobicContact CG1-CD1 4.07Å; V46-L78 HydrophobicContact CG1-CD2 3.78Å; V46-L78 HydrophobicContact CG1-CG 4.23Å; V46-L79 WeakPolarHBondContact CA-O 3.45Å; V46-V80 HydrophobicContact CG2-CG2 4.44Å
47L90.7Very high88.6Confident29 Ų2952.7 Ų52.715%0.15225%0.254CS..EExtended strand (participates in β ladder)trans-118.6139.7171-62.1177.4000109.1G19 L78 L79 M81G19-L47 WeakPolarHBondContact O-CA 3.47Å; L47-L78 CarbonylContact O-C 3.51Å; L47-L78 WeakPolarHBondContact O-CA 3.42Å; L47-L79 HydrophobicContact CB-CB 4.34Å; L47-L79 HydrophobicContact CD1-CD2 4.4Å; L47-L79 PolarHBondContact N-O 2.88Å; L47-L79 PolarHBondContact O-N 3.49Å; L47-M81 HydrophobicContact CD1-CE 3.68Å; L47-M81 HydrophobicContact CG-CE 4.02Å
48A91Very high88.8Confident0 Ų056.9 Ų56.90%027%0.267CS..EExtended strand (participates in β ladder)trans-86.1141.7167.900000109.7K18 G19 P21 I24 F75 L78K18-A48 WeakPolarHBondContact CA-O 3.49Å; G19-A48 PolarHBondContact N-O 3.35Å; G19-A48 PolarHBondContact O-N 3.03Å; P21-A48 HydrophobicContact CB-CB 4.41Å; P21-A48 HydrophobicContact CG-CB 4.39Å; I24-A48 HydrophobicContact CD1-CB 3.54Å; I24-A48 WeakPolarHBondContact CD1-O 3.42Å; I24-A48 HydrophobicContact CG1-CB 4.19Å; A48-F75 HydrophobicContact CB-CE2 4.08Å; A48-L78 HydrophobicContact CB-CD2 4.17Å
49L93.1Very high88.9Confident61 Ų6158.1 Ų58.132%0.31928%0.276SS..EExtended strand (participates in β ladder)trans-113.5134.5172.4-59.5179000108.2T17 K18 L76 G77 L79T17-L49 WeakPolarHBondContact O-CA 3.42Å; K18-L49 HydrophobicContact CB-CD2 3.67Å; L49-L76 HydrophobicContact CB-CB 4.25Å; L49-L76 WeakPolarHBondContact O-CB 3.32Å; L49-L76 PolarHBondContact O-N 2.94Å; L49-G77 PolarHBondContact N-O 3.35Å; L49-G77 PolarHBondContact O-N 3.43Å; L49-L79 HydrophobicContact CD1-CB 4.32Å; L49-L79 HydrophobicContact CG-CB 4.44Å
50A93.4Very high89.1Confident1 Ų163.1 Ų63.11%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-139.3157.3179.100000110.7Y16 T17 I24 V26 L73 L74Y16-A50 WeakPolarHBondContact CA-O 3.33Å; T17-A50 PolarHBondContact N-O 2.95Å; T17-A50 PolarHBondContact O-N 3.29Å; I24-A50 HydrophobicContact CD1-CB 4.45Å; I24-A50 HydrophobicContact CG2-CB 3.77Å; V26-A50 HydrophobicContact CG1-CB 3.63Å; A50-L73 HydrophobicContact CB-CB 3.8Å; A50-L73 HydrophobicContact CB-CD1 4.05Å; A50-L74 CarbonylContact C-O 3.53Å; A50-L74 WeakPolarHBondContact CA-O 3.47Å; A50-L74 WeakPolarHBondContact CB-O 3.48Å
51W93.3Very high89.4Confident62 Ų6263.8 Ų63.824%0.23530%0.296CS..EExtended strand (participates in β ladder)trans-143.5151.2-175.616483.2000111.9H14 I15 Y16 P53 L74 L76H14-W51 AromaticContact CE1-CZ2 3.89Å; H14-W51 AromaticContact CG-NE1 3.6Å; H14-W51 AromaticContact ND1-CE2 3.61Å; H14-W51 AromaticContact ND1-CZ2 3.52Å; H14-W51 AromaticContact ND1-NE1 3.14Å; H14-W51 PolarHBondContact ND1-NE1 3.41Å; H14-W51 VanDerWaalsContact ND1-NE1 3.14Å; I15-W51 CarbonylContact O-C 3.56Å; I15-W51 WeakPolarHBondContact O-CA 3.29Å; I15-W51 VanDerWaalsContact O-CD1 3.24Å; Y16-W51 HydrophobicContact CD1-CB 4.11Å; Y16-W51 AromaticContact CD1-CD1 3.72Å; Y16-W51 HydrophobicContact CD1-CG 4.28Å; Y16-W51 HydrophobicContact CE1-CB 4.26Å; Y16-W51 AromaticContact CE1-CD1 3.33Å; Y16-W51 HydrophobicContact CE1-CG 4.03Å; Y16-W51 AromaticContact CZ-CD1 3.58Å; Y16-W51 AromaticContact CZ-NE1 3.97Å; W51-P53 HydrophobicContact CH2-CB 4.12Å; W51-P53 HydrophobicContact CH2-CG 3.67Å; W51-P53 HydrophobicContact CZ2-CB 3.8Å; W51-P53 HydrophobicContact CZ2-CG 3.85Å; W51-P53 HydrophobicContact CZ3-CG 4.29Å; W51-L74 HydrophobicContact CE3-CB 4.36Å; W51-L74 HydrophobicContact CE3-CD1 3.84Å; W51-L74 HydrophobicContact CZ3-CD1 3.62Å; W51-L74 PolarHBondContact N-O 3.12Å; W51-L74 WeakPolarHBondContact O-CA 3.27Å; W51-L74 VanDerWaalsContact O-CB 3.27Å; W51-L74 WeakPolarHBondContact O-CB 3.42Å; W51-L74 PolarHBondContact O-N 3Å; W51-L76 HydrophobicContact CB-CD1 3.47Å; W51-L76 VanDerWaalsContact CB-CD1 3.47Å; W51-L76 HydrophobicContact CB-CD2 4.01Å; W51-L76 HydrophobicContact CB-CG 3.68Å; W51-L76 HydrophobicContact CG-CD1 4.47Å
52R91.4Very high89.8Confident46 Ų4665.9 Ų65.917%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-149.7130.9171.8-174.717367130.7-11.2111.5I15 I54 R68 V69 H71 N72 L73I15-R52 HydrophobicContact CB-CB 4.45Å; I15-R52 PolarHBondContact N-O 3.09Å; I15-R52 PolarHBondContact O-N 3.43Å; R52-I54 VanDerWaalsContact CZ-CD1 3.48Å; R52-R68 PolarHBondContact NH2-O 2.88Å; R52-V69 PolarHBondContact NH2-O 3.47Å; R52-H71 PolarHBondContact NE-O 2.9Å; R52-N72 WeakPolarHBondContact CD-O 3.45Å; R52-L73 HydrophobicContact CB-CD2 3.71Å
53P92Very high90.1Very high50 Ų5070.6 Ų70.633%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-77.5140.2167.631.8-29.9000110.1F13 W51F13-P53 WeakPolarHBondContact O-CA 3.37Å; W51-P53 HydrophobicContact CH2-CB 4.12Å; W51-P53 HydrophobicContact CH2-CG 3.67Å; W51-P53 HydrophobicContact CZ2-CB 3.8Å; W51-P53 HydrophobicContact CZ2-CG 3.85Å; W51-P53 HydrophobicContact CZ3-CG 4.29Å
54I91Very high90.4Very high27 Ų2772.3 Ų72.314%0.13833%0.333CS..EExtended strand (participates in β ladder)trans-133.4130.4174.3-110.7-177.3000109.9F13 I15 R52 A56 I61 M64F13-I54 HydrophobicContact CB-CG2 4.33Å; F13-I54 PolarHBondContact N-O 3.06Å; F13-I54 PolarHBondContact O-N 3.04Å; I15-I54 HydrophobicContact CD1-CB 4.44Å; I15-I54 HydrophobicContact CD1-CD1 3.84Å; I15-I54 HydrophobicContact CD1-CG1 4.44Å; R52-I54 VanDerWaalsContact CZ-CD1 3.48Å; I54-A56 HydrophobicContact CG2-CB 3.78Å; I54-I61 HydrophobicContact CG2-CD1 3.51Å; I54-M64 HydrophobicContact CD1-CE 4.14Å; I54-M64 HydrophobicContact CD1-SD 4.12Å
55E89.7Confident90.5Very high162 Ų16272.3 Ų72.376%0.75734%0.34SS*.  trans-97.5102.7167.8-66.9-170.5167.100109Q12Q12-E55 HydrophobicContact CB-CG 4.42Å
56A86.7Confident90.5Very high20 Ų2075.7 Ų75.717%0.16535%0.353CS..  trans-150.3154179.400000110.8F13 I54 R60 I61F13-A56 WeakPolarHBondContact CE2-O 3.47Å; I54-A56 HydrophobicContact CG2-CB 3.78Å; A56-R60 HydrophobicContact CB-CB 4.29Å; A56-R60 HydrophobicContact CB-CG 4.31Å; A56-I61 HydrophobicContact CB-CD1 4.03Å; A56-I61 HydrophobicContact CB-CG1 4.15Å
57S88.6Confident90.4Very high76 Ų7681 Ų8153%0.53138%0.381SS..  trans-66.5151.5171.367.50000110.8L59 R60 I61S57-L59 PolarHBondContact O-N 3.17Å; S57-R60 WeakPolarHBondContact O-CA 3.25Å; S57-R60 WeakPolarHBondContact O-CB 3.26Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-R60 PolarHBondContact OG-N 3.26Å; S57-I61 PolarHBondContact O-N 3.24Å
58Y87.4Confident90.3Very high141 Ų14188 Ų8855%0.55341%0.405SS*.Hα-helixtrans-54.1-40.1178.6-178.6-100.5000112.6F13 R60 I61 M62F13-Y58 HydrophobicContact CE1-CD2 4.33Å; F13-Y58 HydrophobicContact CZ-CD2 4.15Å; Y58-R60 VanDerWaalsContact C-N 3.31Å; Y58-R60 PolarHBondContact O-N 3.49Å; Y58-I61 PolarHBondContact O-N 2.93Å; Y58-M62 HydrophobicContact CD1-CG 4.23Å; Y58-M62 HydrophobicContact CE1-CG 3.81Å; Y58-M62 HydrophobicContact CE1-SD 4.5Å; Y58-M62 HydrophobicContact CE2-CG 4.37Å; Y58-M62 WeakPolarHBondContact O-CG 3.48Å; Y58-M62 PolarHBondContact O-N 3.27Å
59L89.3Confident90.3Very high119 Ų11988.5 Ų88.562%0.62341%0.408SS*.Hα-helixtrans-63-35.6176-69.4175000112.9S57 R63S57-L59 PolarHBondContact O-N 3.17Å; L59-R63 WeakPolarHBondContact O-CG 3.47Å; L59-R63 PolarHBondContact O-N 3.35Å
60R90Very high90Very high165 Ų16587.8 Ų87.862%0.62340%0.403SS*.Hα-helixtrans-71.9-38.8177-175.4175.4-179.1-178.21.1111.3A56 S57 Y58 R63 M64A56-R60 HydrophobicContact CB-CB 4.29Å; A56-R60 HydrophobicContact CB-CG 4.31Å; S57-R60 WeakPolarHBondContact O-CA 3.25Å; S57-R60 WeakPolarHBondContact O-CB 3.26Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-R60 PolarHBondContact OG-N 3.26Å; Y58-R60 VanDerWaalsContact C-N 3.31Å; Y58-R60 PolarHBondContact O-N 3.49Å; R60-R63 PolarHBondContact O-N 2.89Å; R60-M64 PolarHBondContact O-N 3.25Å
61I89.7Confident89.7Confident16 Ų1691.5 Ų91.58%0.08242%0.42CS..Hα-helixtrans-59.2-48.8174.2-62.7-80.6000110.3I4 F13 I54 A56 S57 Y58 R63 M64I4-I61 HydrophobicContact CB-CG2 4.49Å; I4-I61 HydrophobicContact CD1-CG2 3.78Å; I4-I61 HydrophobicContact CG2-CD1 4.33Å; I4-I61 HydrophobicContact CG2-CG2 3.95Å; F13-I61 HydrophobicContact CB-CD1 3.8Å; F13-I61 HydrophobicContact CD1-CD1 4.15Å; F13-I61 HydrophobicContact CD1-CG1 4.17Å; F13-I61 HydrophobicContact CD2-CD1 3.79Å; F13-I61 HydrophobicContact CD2-CG1 3.82Å; F13-I61 HydrophobicContact CE1-CG1 4.26Å; F13-I61 HydrophobicContact CE2-CD1 4.41Å; F13-I61 HydrophobicContact CE2-CG1 3.93Å; F13-I61 HydrophobicContact CG-CD1 3.64Å; F13-I61 HydrophobicContact CG-CG1 3.96Å; F13-I61 HydrophobicContact CZ-CG1 4.15Å; I54-I61 HydrophobicContact CG2-CD1 3.51Å; A56-I61 HydrophobicContact CB-CD1 4.03Å; A56-I61 HydrophobicContact CB-CG1 4.15Å; S57-I61 PolarHBondContact O-N 3.24Å; Y58-I61 PolarHBondContact O-N 2.93Å; I61-R63 PolarHBondContact O-N 3.14Å; I61-M64 HydrophobicContact CD1-CE 3.79Å; I61-M64 VanDerWaalsContact O-CB 3.28Å; I61-M64 WeakPolarHBondContact O-CB 2.85Å; I61-M64 PolarHBondContact O-N 3.28Å; I61-M64 VanDerWaalsContact O-N 3.12Å
62M88.7Confident89.4Confident129 Ų12993.8 Ų93.864%0.63544%0.437SS*.Hα-helixtrans-64.7-24.6-178.2-72.2-65.3-6900114Y58Y58-M62 HydrophobicContact CD1-CG 4.23Å; Y58-M62 HydrophobicContact CE1-CG 3.81Å; Y58-M62 HydrophobicContact CE1-SD 4.5Å; Y58-M62 HydrophobicContact CE2-CG 4.37Å; Y58-M62 WeakPolarHBondContact O-CG 3.48Å; Y58-M62 PolarHBondContact O-N 3.27Å
63R92Very high89.3Confident212 Ų21291.8 Ų91.880%0.843%0.43SS*.THydrogen-bonded Turntrans-96.72.8178-68.2-179.6179176.70.1113.3L59 R60 I61 S65L59-R63 WeakPolarHBondContact O-CG 3.47Å; L59-R63 PolarHBondContact O-N 3.35Å; R60-R63 PolarHBondContact O-N 2.89Å; I61-R63 PolarHBondContact O-N 3.14Å; R63-S65 PolarHBondContact O-N 3.3Å
64M90.1Very high89.2Confident41 Ų4192.2 Ų92.220%0.20243%0.429CS..  trans-73.6129.7-176.6-158.5176.6-23.300110.2I4 I54 R60 I61 R68 V69I4-M64 HydrophobicContact CD1-CE 4.4Å; I54-M64 HydrophobicContact CD1-CE 4.14Å; I54-M64 HydrophobicContact CD1-SD 4.12Å; R60-M64 PolarHBondContact O-N 3.25Å; I61-M64 HydrophobicContact CD1-CE 3.79Å; I61-M64 VanDerWaalsContact O-CB 3.28Å; I61-M64 WeakPolarHBondContact O-CB 2.85Å; I61-M64 PolarHBondContact O-N 3.28Å; I61-M64 VanDerWaalsContact O-N 3.12Å; M64-R68 HydrophobicContact CG-CB 3.83Å; M64-R68 HydrophobicContact SD-CB 4.32Å; M64-V69 HydrophobicContact CB-CG2 4.12Å; M64-V69 HydrophobicContact CE-CG2 4.38Å; M64-V69 HydrophobicContact CG-CG2 3.81Å; M64-V69 HydrophobicContact SD-CB 4.5Å; M64-V69 HydrophobicContact SD-CG2 3.58Å; M64-V69 VanDerWaalsContact SD-CG2 3.58Å
65S92.5Very high89.2Confident55 Ų5593.3 Ų93.339%0.38543%0.433SS..  trans-70.1153.7172.4630000110.6R63 D67 R68 V69R63-S65 PolarHBondContact O-N 3.3Å; S65-D67 VanDerWaalsContact C-N 3.29Å; S65-D67 PolarHBondContact O-N 2.92Å; S65-R68 PolarHBondContact O-N 3.34Å; S65-R68 VanDerWaalsContact O-N 3.17Å; S65-V69 WeakPolarHBondContact O-CG2 3.49Å; S65-V69 PolarHBondContact O-N 2.94Å; S65-V69 VanDerWaalsContact O-N 3.16Å
66R89.7Confident89.3Confident166 Ų16690.1 Ų90.163%0.62642%0.42SS*.Hα-helixtrans-55.9-43.4179.7-179.5176.3173.7-171.9-7.9112.4R68 V69 E70R66-R68 VanDerWaalsContact C-N 3.27Å; R66-R68 PolarHBondContact O-N 3.26Å; R66-V69 WeakPolarHBondContact O-CA 3.48Å; R66-V69 WeakPolarHBondContact O-CB 3.36Å; R66-V69 PolarHBondContact O-N 3.4Å; R66-E70 HydrophobicContact CG-CG 4.35Å; R66-E70 IonicContact CZ-OE1 3.42Å; R66-E70 IonicContact CZ-OE2 3.24Å; R66-E70 IonicContact NE-OE1 3.62Å; R66-E70 PolarHBondContact NE-OE1 3.47Å; R66-E70 IonicContact NE-OE2 2.93Å; R66-E70 PolarHBondContact NE-OE2 3.25Å; R66-E70 IonicContact NH2-OE1 3.49Å; R66-E70 IonicContact NH2-OE2 3.27Å; R66-E70 PolarHBondContact NH2-OE2 2.94Å; R66-E70 PolarHBondContact O-N 3.29Å
67D87.8Confident89.5Confident124 Ų12490.1 Ų90.166%0.66342%0.422SS*.Hα-helixtrans-60.8-39.6-178.4-46.5-37.2000111.1S65 V69 E70 H71S65-D67 VanDerWaalsContact C-N 3.29Å; S65-D67 PolarHBondContact O-N 2.92Å; D67-V69 VanDerWaalsContact C-N 3.33Å; D67-V69 PolarHBondContact O-N 2.91Å; D67-E70 PolarHBondContact O-N 2.84Å; D67-H71 VanDerWaalsContact O-CB 3.32Å; D67-H71 WeakPolarHBondContact O-CB 3.43Å; D67-H71 PolarHBondContact O-N 3.45Å
68R88.8Confident89.6Confident174 Ų17488.6 Ų88.666%0.65741%0.408SS*.Hα-helixtrans-69.5-29.4175.9-73.5-172.5177-161-0.3113.3R52 M64 S65 R66R52-R68 PolarHBondContact NH2-O 2.88Å; M64-R68 HydrophobicContact CG-CB 3.83Å; M64-R68 HydrophobicContact SD-CB 4.32Å; S65-R68 PolarHBondContact O-N 3.34Å; S65-R68 VanDerWaalsContact O-N 3.17Å; R66-R68 VanDerWaalsContact C-N 3.27Å; R66-R68 PolarHBondContact O-N 3.26Å
69V90.2Very high89.9Confident12 Ų1285.4 Ų85.47%0.07340%0.4CS..Hα-helixtrans-70.6-44.5174.8174.50000109.8I4 I15 R52 M64 S65 R66 D67 H71I4-V69 HydrophobicContact CD1-CG1 4.34Å; I4-V69 HydrophobicContact CD1-CG2 3.99Å; I4-V69 HydrophobicContact CG1-CG1 4.41Å; I15-V69 HydrophobicContact CD1-CG1 4.12Å; I15-V69 HydrophobicContact CG1-CG1 4.4Å; I15-V69 HydrophobicContact CG2-CG1 3.53Å; R52-V69 PolarHBondContact NH2-O 3.47Å; M64-V69 HydrophobicContact CB-CG2 4.12Å; M64-V69 HydrophobicContact CE-CG2 4.38Å; M64-V69 HydrophobicContact CG-CG2 3.81Å; M64-V69 HydrophobicContact SD-CB 4.5Å; M64-V69 HydrophobicContact SD-CG2 3.58Å; M64-V69 VanDerWaalsContact SD-CG2 3.58Å; S65-V69 WeakPolarHBondContact O-CG2 3.49Å; S65-V69 PolarHBondContact O-N 2.94Å; S65-V69 VanDerWaalsContact O-N 3.16Å; R66-V69 WeakPolarHBondContact O-CA 3.48Å; R66-V69 WeakPolarHBondContact O-CB 3.36Å; R66-V69 PolarHBondContact O-N 3.4Å; D67-V69 VanDerWaalsContact C-N 3.33Å; D67-V69 PolarHBondContact O-N 2.91Å; V69-H71 VanDerWaalsContact C-N 3.31Å; V69-H71 PolarHBondContact O-N 3.4Å
70E88.7Confident90Very high45 Ų4582.1 Ų82.121%0.2139%0.385CS..Hα-helixtrans-82.70.8-173.5-68.1-173.1157.900114.3M1 S2 T17 R66 D67 L73M1-E70 PolarHBondContact N-OE1 3.28Å; S2-E70 WeakPolarHBondContact OG-CG 3.45Å; S2-E70 PolarHBondContact OG-OE1 2.93Å; T17-E70 HydrophobicContact CG2-CG 4.39Å; R66-E70 HydrophobicContact CG-CG 4.35Å; R66-E70 IonicContact CZ-OE1 3.42Å; R66-E70 IonicContact CZ-OE2 3.24Å; R66-E70 IonicContact NE-OE1 3.62Å; R66-E70 PolarHBondContact NE-OE1 3.47Å; R66-E70 IonicContact NE-OE2 2.93Å; R66-E70 PolarHBondContact NE-OE2 3.25Å; R66-E70 IonicContact NH2-OE1 3.49Å; R66-E70 IonicContact NH2-OE2 3.27Å; R66-E70 PolarHBondContact NH2-OE2 2.94Å; R66-E70 PolarHBondContact O-N 3.29Å; D67-E70 PolarHBondContact O-N 2.84Å; E70-L73 WeakPolarHBondContact O-CD1 3.38Å
71H86.4Confident90.2Very high79 Ų7977.3 Ų77.337%0.36637%0.371SS..SBendtrans-97.4150.7-178.9-168.868000113.8E25 R52 D67 V69 L73E25-H71 IonicContact OE2-CE1 3.51Å; E25-H71 IonicContact OE2-ND1 2.9Å; E25-H71 PolarHBondContact OE2-ND1 3.28Å; R52-H71 PolarHBondContact NE-O 2.9Å; D67-H71 VanDerWaalsContact O-CB 3.32Å; D67-H71 WeakPolarHBondContact O-CB 3.43Å; D67-H71 PolarHBondContact O-N 3.45Å; V69-H71 VanDerWaalsContact C-N 3.31Å; V69-H71 PolarHBondContact O-N 3.4Å; H71-L73 VanDerWaalsContact C-N 3.31Å; H71-L73 PolarHBondContact O-N 3.2Å
72N86.1Confident90.1Very high110 Ų11082.9 Ų82.959%0.58840%0.396SS*.SBendtrans52.241.4179.1-71.4-27.8000114.5R52R52-N72 WeakPolarHBondContact CD-O 3.45Å
73L89.6Confident90Very high5 Ų579.3 Ų79.33%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-77.4156.5179.6-58.7167.5000111I15 T17 I24 V26 A50 R52 E70 H71I15-L73 HydrophobicContact CG2-CD2 4.14Å; T17-L73 HydrophobicContact CG2-CD1 3.86Å; T17-L73 WeakPolarHBondContact OG1-CD1 3.46Å; I24-L73 HydrophobicContact CG2-CD1 4.11Å; V26-L73 HydrophobicContact CG1-CB 3.64Å; V26-L73 VanDerWaalsContact CG1-O 3.29Å; V26-L73 WeakPolarHBondContact CG1-O 3.25Å; A50-L73 HydrophobicContact CB-CB 3.8Å; A50-L73 HydrophobicContact CB-CD1 4.05Å; R52-L73 HydrophobicContact CB-CD2 3.71Å; E70-L73 WeakPolarHBondContact O-CD1 3.38Å; H71-L73 VanDerWaalsContact C-N 3.31Å; H71-L73 PolarHBondContact O-N 3.2Å
74L90.1Very high89.8Confident59 Ų5979.3 Ų79.331%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-96.2129.8169.8-62.3168.6000109.2A50 W51 L76A50-L74 CarbonylContact C-O 3.53Å; A50-L74 WeakPolarHBondContact CA-O 3.47Å; A50-L74 WeakPolarHBondContact CB-O 3.48Å; W51-L74 HydrophobicContact CE3-CB 4.36Å; W51-L74 HydrophobicContact CE3-CD1 3.84Å; W51-L74 HydrophobicContact CZ3-CD1 3.62Å; W51-L74 PolarHBondContact N-O 3.12Å; W51-L74 WeakPolarHBondContact O-CA 3.27Å; W51-L74 VanDerWaalsContact O-CB 3.27Å; W51-L74 WeakPolarHBondContact O-CB 3.42Å; W51-L74 PolarHBondContact O-N 3Å; L74-L76 PolarHBondContact O-N 3.32Å
75F90.7Very high89.8Confident49 Ų4980.6 Ų80.622%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-68.2126.2177-179-109.4000111V26 L28 P29 F32 A48 G77 L78V26-F75 HydrophobicContact CB-CB 4.08Å; V26-F75 HydrophobicContact CG1-CB 4.33Å; V26-F75 HydrophobicContact CG2-CB 4.21Å; V26-F75 HydrophobicContact CG2-CD2 4.18Å; L28-F75 HydrophobicContact CD2-CD2 4.15Å; L28-F75 HydrophobicContact CD2-CE2 4.5Å; L28-F75 HydrophobicContact CD2-CG 4.38Å; P29-F75 HydrophobicContact CG-CD1 3.92Å; P29-F75 HydrophobicContact CG-CE1 3.95Å; F32-F75 HydrophobicContact CD2-CE1 4.08Å; F32-F75 HydrophobicContact CD2-CE2 4.03Å; F32-F75 AromaticContact CD2-CZ 3.62Å; F32-F75 HydrophobicContact CD2-CZ 3.62Å; F32-F75 HydrophobicContact CE2-CD2 4.32Å; F32-F75 HydrophobicContact CE2-CE1 4.37Å; F32-F75 AromaticContact CE2-CE2 3.48Å; F32-F75 HydrophobicContact CE2-CE2 3.48Å; F32-F75 VanDerWaalsContact CE2-CE2 3.48Å; F32-F75 AromaticContact CE2-CZ 3.5Å; F32-F75 HydrophobicContact CE2-CZ 3.5Å; F32-F75 VanDerWaalsContact CE2-CZ 3.5Å; F32-F75 HydrophobicContact CZ-CE2 4.47Å; A48-F75 HydrophobicContact CB-CE2 4.08Å; F75-G77 VanDerWaalsContact CE2-O 3.27Å; F75-G77 WeakPolarHBondContact CE2-O 3.46Å; F75-G77 WeakPolarHBondContact CZ-O 3.37Å; F75-L78 HydrophobicContact CE2-CD2 4.21Å; F75-L78 HydrophobicContact CZ-CD2 4.09Å; F75-L78 HydrophobicContact CZ-CG 4.04Å
76L91.2Very high89.8Confident95 Ų9585.1 Ų85.150%0.49740%0.4SS..EExtended strand (participates in β ladder)trans-95.1-42.3175.3-73.3176.3000112.1Y16 L49 W51 L74Y16-L76 HydrophobicContact CD1-CD1 4.26Å; Y16-L76 HydrophobicContact CE1-CD1 4.45Å; L49-L76 HydrophobicContact CB-CB 4.25Å; L49-L76 WeakPolarHBondContact O-CB 3.32Å; L49-L76 PolarHBondContact O-N 2.94Å; W51-L76 HydrophobicContact CB-CD1 3.47Å; W51-L76 VanDerWaalsContact CB-CD1 3.47Å; W51-L76 HydrophobicContact CB-CD2 4.01Å; W51-L76 HydrophobicContact CB-CG 3.68Å; W51-L76 HydrophobicContact CG-CD1 4.47Å; L74-L76 PolarHBondContact O-N 3.32Å
77G91.3Very high89.9Confident20 Ų2082.5 Ų82.521%0.20640%0.404CS..EExtended strand (participates in β ladder)trans164.6179.7-174.500000114.5L49 F75L49-G77 PolarHBondContact N-O 3.35Å; L49-G77 PolarHBondContact O-N 3.43Å; F75-G77 VanDerWaalsContact CE2-O 3.27Å; F75-G77 WeakPolarHBondContact CE2-O 3.46Å; F75-G77 WeakPolarHBondContact CZ-O 3.37Å
78L91.3Very high90.2Very high45 Ų4581.9 Ų81.924%0.23640%0.397CS..EExtended strand (participates in β ladder)trans-103.3131.1174.1-67.5-179.5000110.4P21 F32 V46 L47 A48 F75 V80P21-L78 HydrophobicContact CG-CD2 4.41Å; F32-L78 HydrophobicContact CD2-CD1 4.43Å; F32-L78 HydrophobicContact CD2-CD2 4.27Å; F32-L78 HydrophobicContact CD2-CG 4.42Å; F32-L78 HydrophobicContact CE2-CD1 4.32Å; F32-L78 HydrophobicContact CE2-CD2 3.44Å; F32-L78 VanDerWaalsContact CE2-CD2 3.44Å; F32-L78 HydrophobicContact CE2-CG 4.05Å; F32-L78 HydrophobicContact CZ-CD2 4.08Å; V46-L78 HydrophobicContact CG1-CB 4.19Å; V46-L78 HydrophobicContact CG1-CD1 4.07Å; V46-L78 HydrophobicContact CG1-CD2 3.78Å; V46-L78 HydrophobicContact CG1-CG 4.23Å; L47-L78 CarbonylContact O-C 3.51Å; L47-L78 WeakPolarHBondContact O-CA 3.42Å; A48-L78 HydrophobicContact CB-CD2 4.17Å; F75-L78 HydrophobicContact CE2-CD2 4.21Å; F75-L78 HydrophobicContact CZ-CD2 4.09Å; F75-L78 HydrophobicContact CZ-CG 4.04Å; L78-V80 HydrophobicContact CB-CG2 4.41Å
79L92.9Very high90.3Very high74 Ų7475.2 Ų75.239%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-94.4112.2165175.663.3000108.4V46 L47 L49 M81V46-L79 WeakPolarHBondContact CA-O 3.45Å; L47-L79 HydrophobicContact CB-CB 4.34Å; L47-L79 HydrophobicContact CD1-CD2 4.4Å; L47-L79 PolarHBondContact N-O 2.88Å; L47-L79 PolarHBondContact O-N 3.49Å; L49-L79 HydrophobicContact CD1-CB 4.32Å; L49-L79 HydrophobicContact CG-CB 4.44Å; L79-M81 HydrophobicContact CD1-CG 4.35Å; L79-M81 HydrophobicContact CD2-CE 4.2Å; L79-M81 HydrophobicContact CD2-SD 4.07Å; L79-M81 HydrophobicContact CG-CE 4.36Å; L79-M81 HydrophobicContact CG-CG 4.12Å; L79-M81 HydrophobicContact CG-SD 4.26Å
80V92.6Very high90.4Very high49 Ų4975.4 Ų75.430%0.29738%0.381SS..EExtended strand (participates in β ladder)trans-104.3124.6179.6-175.50000108.7F39 F44 V46 L78F39-V80 HydrophobicContact CB-CG1 4.26Å; F39-V80 HydrophobicContact CB-CG2 4.47Å; F39-V80 HydrophobicContact CD1-CG1 3.79Å; F39-V80 HydrophobicContact CD1-CG2 4.15Å; F39-V80 HydrophobicContact CD2-CG2 3.74Å; F39-V80 HydrophobicContact CE1-CG1 4.32Å; F39-V80 HydrophobicContact CE1-CG2 4.33Å; F39-V80 HydrophobicContact CE2-CG2 3.93Å; F39-V80 HydrophobicContact CG-CG1 4.02Å; F39-V80 HydrophobicContact CG-CG2 3.87Å; F39-V80 HydrophobicContact CZ-CG2 4.23Å; F44-V80 HydrophobicContact CB-CG1 3.52Å; F44-V80 HydrophobicContact CD1-CG1 3.96Å; F44-V80 HydrophobicContact CD2-CG1 4.2Å; F44-V80 HydrophobicContact CG-CG1 3.64Å; V46-V80 HydrophobicContact CG2-CG2 4.44Å; L78-V80 HydrophobicContact CB-CG2 4.41Å
81M93Very high90.7Very high65 Ų6576.9 Ų76.932%0.3240%0.395SS..EExtended strand (participates in β ladder)trans-127.2137.5-178.4-62.9174.4-71.300110.3F44 R45 L47 L79F44-M81 CarbonylContact C-O 3.51Å; F44-M81 WeakPolarHBondContact CA-O 3.01Å; R45-M81 HydrophobicContact CB-CB 4.38Å; R45-M81 HydrophobicContact CB-CE 4.4Å; R45-M81 HydrophobicContact CG-CE 3.95Å; R45-M81 PolarHBondContact N-O 2.97Å; R45-M81 PolarHBondContact O-N 2.94Å; L47-M81 HydrophobicContact CD1-CE 3.68Å; L47-M81 HydrophobicContact CG-CE 4.02Å; L79-M81 HydrophobicContact CD1-CG 4.35Å; L79-M81 HydrophobicContact CD2-CE 4.2Å; L79-M81 HydrophobicContact CD2-SD 4.07Å; L79-M81 HydrophobicContact CG-CE 4.36Å; L79-M81 HydrophobicContact CG-CG 4.12Å; L79-M81 HydrophobicContact CG-SD 4.26Å
82E88.7Confident91.1Very high132 Ų13276.9 Ų76.962%0.61740%0.401SS*.EExtended strand (participates in β ladder)trans-79.5125176.4-167.2-176.6163.900111.2F44 R84F44-E82 HydrophobicContact CD1-CB 4Å; F44-E82 HydrophobicContact CD1-CG 4.32Å; F44-E82 HydrophobicContact CE1-CB 3.79Å; F44-E82 HydrophobicContact CE1-CG 3.85Å; E82-R84 HydrophobicContact CB-CG 4.49Å; E82-R84 HydrophobicContact CG-CG 4Å; E82-R84 PolarHBondContact O-N 3.03Å; E82-R84 VanDerWaalsContact O-N 3.15Å
83N85.9Confident91.4Very high54 Ų5472.9 Ų72.929%0.28938%0.379SS..  trans-83.283.1170.1-81.3-29.7000109.4L85 T113 V117N83-L85 PolarHBondContact O-N 3.48Å; N83-T113 WeakPolarHBondContact ND2-CG2 3.42Å; N83-V117 HydrophobicContact CB-CG2 4Å
84R89.1Confident91.5Very high212 Ų21278 Ų7880%0.840%0.401SS*.  trans-70.2114.6175.8-67.2-172.770.4-165.40.5110.2E82E82-R84 HydrophobicContact CB-CG 4.49Å; E82-R84 HydrophobicContact CG-CG 4Å; E82-R84 PolarHBondContact O-N 3.03Å; E82-R84 VanDerWaalsContact O-N 3.15Å
85L88.5Confident91.7Very high68 Ų6879.3 Ų79.336%0.35641%0.411SS..  trans-65.7145.3172.4-72.4174.8000110.7N83 V117 N120 C121N83-L85 PolarHBondContact O-N 3.48Å; L85-V117 HydrophobicContact CD2-CG1 3.81Å; L85-N120 VanDerWaalsContact CD1-C 3.49Å; L85-N120 HydrophobicContact CD1-CB 3.5Å; L85-N120 VanDerWaalsContact CD1-CB 3.5Å; L85-C121 HydrophobicContact CD1-CB 3.81Å; L85-C121 HydrophobicContact CD2-CB 4.23Å
86K92.7Very high91.8Very high151 Ų15179.9 Ų79.966%0.65742%0.416SS*.  trans-68.3139.2168-64.3-174.9179.2-179.90108.4E88 S89K86-E88 WeakPolarHBondContact CB-OE2 3.33Å; K86-E88 PolarHBondContact O-N 3.12Å; K86-E88 VanDerWaalsContact O-N 3.12Å; K86-S89 VanDerWaalsContact O-CB 3.31Å; K86-S89 WeakPolarHBondContact O-CB 3.17Å; K86-S89 PolarHBondContact O-N 3.3Å; K86-S89 PolarHBondContact O-OG 3.08Å
87P91.8Very high91.7Very high110 Ų11079.8 Ų79.871%0.71441%0.409SS*.THydrogen-bonded Turntrans-61.3-24-17824.7-32.2000112.5P91P87-P91 WeakPolarHBondContact O-CD 3.3Å
88E94Very high91.7Very high111 Ų11185.4 Ų85.452%0.51943%0.43SS..THydrogen-bonded Turntrans-79.9-15.2177.5-49.781.1-172.100113.5K86 G90 P91 V92K86-E88 WeakPolarHBondContact CB-OE2 3.33Å; K86-E88 PolarHBondContact O-N 3.12Å; K86-E88 VanDerWaalsContact O-N 3.12Å; E88-G90 PolarHBondContact O-N 3.16Å; E88-P91 WeakPolarHBondContact O-CD 3.49Å; E88-V92 HydrophobicContact CB-CG2 4.39Å; E88-V92 WeakPolarHBondContact O-CB 3.07Å; E88-V92 WeakPolarHBondContact O-CG2 3.31Å; E88-V92 PolarHBondContact O-N 3.32Å
89S92.1Very high91.9Very high35 Ų3586.2 Ų86.225%0.24544%0.443CS..Hα-helixtrans-58.7-51.2-172.5-69.90000112.9K86 V92 I93K86-S89 VanDerWaalsContact O-CB 3.31Å; K86-S89 WeakPolarHBondContact O-CB 3.17Å; K86-S89 PolarHBondContact O-N 3.3Å; K86-S89 PolarHBondContact O-OG 3.08Å; S89-V92 PolarHBondContact O-N 2.93Å; S89-I93 WeakPolarHBondContact O-CB 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.22Å; S89-I93 VanDerWaalsContact O-CG1 3.25Å; S89-I93 WeakPolarHBondContact O-CG1 3.4Å; S89-I93 PolarHBondContact O-N 2.85Å
90G91.4Very high91.7Very high15 Ų1590.1 Ų90.116%0.15547%0.465CS..Hα-helixtrans-61-54.3178.800000112.9E88 V92 I93 K94E88-G90 PolarHBondContact O-N 3.16Å; G90-V92 VanDerWaalsContact C-N 3.29Å; G90-V92 PolarHBondContact O-N 3.05Å; G90-I93 PolarHBondContact O-N 2.85Å; G90-K94 PolarHBondContact O-N 3.43Å
91P94.7Very high91.5Very high77 Ų7792.3 Ų92.350%0.547%0.474SS..Hα-helixtrans-55.5-39.5177.6-28.334.6000114.3P87 E88 T95P87-P91 WeakPolarHBondContact O-CD 3.3Å; E88-P91 WeakPolarHBondContact O-CD 3.49Å; P91-T95 PolarHBondContact O-N 2.96Å; P91-T95 PolarHBondContact O-OG1 3.03Å
92V94.8Very high91.1Very high79 Ų7995.1 Ų95.148%0.47948%0.481SS..Hα-helixtrans-68.8-45.9178.3171.30000110.9E88 S89 G90 K94 T95 L96E88-V92 HydrophobicContact CB-CG2 4.39Å; E88-V92 WeakPolarHBondContact O-CB 3.07Å; E88-V92 WeakPolarHBondContact O-CG2 3.31Å; E88-V92 PolarHBondContact O-N 3.32Å; S89-V92 PolarHBondContact O-N 2.93Å; G90-V92 VanDerWaalsContact C-N 3.29Å; G90-V92 PolarHBondContact O-N 3.05Å; V92-K94 VanDerWaalsContact C-N 3.27Å; V92-K94 PolarHBondContact O-N 3.3Å; V92-T95 WeakPolarHBondContact O-CB 3.21Å; V92-T95 PolarHBondContact O-N 3.03Å; V92-T95 VanDerWaalsContact O-N 3.12Å; V92-L96 HydrophobicContact CG1-CD1 4.14Å; V92-L96 HydrophobicContact CG1-CG 4.44Å; V92-L96 WeakPolarHBondContact O-CG 3.23Å; V92-L96 PolarHBondContact O-N 3.44Å
93I92.5Very high90.9Very high25 Ų2590.1 Ų90.113%0.12846%0.46CS..Hα-helixtrans-58.1-42.8176.7-73.4166.6000110.7S89 G90 T95 L96 R97 P103 C121 M123S89-I93 WeakPolarHBondContact O-CB 3.45Å; S89-I93 WeakPolarHBondContact O-CD1 3.22Å; S89-I93 VanDerWaalsContact O-CG1 3.25Å; S89-I93 WeakPolarHBondContact O-CG1 3.4Å; S89-I93 PolarHBondContact O-N 2.85Å; G90-I93 PolarHBondContact O-N 2.85Å; I93-T95 PolarHBondContact O-N 3.23Å; I93-L96 PolarHBondContact O-N 3.24Å; I93-R97 PolarHBondContact O-N 2.93Å; I93-P103 HydrophobicContact CG2-CG 4.24Å; I93-C121 HydrophobicContact CD1-CB 3.74Å; I93-C121 VanDerWaalsContact CD1-SG 3.59Å; I93-M123 HydrophobicContact CD1-CB 4.43Å; I93-M123 HydrophobicContact CG2-CB 4.33Å
94K91.6Very high90.9Very high113 Ų11392.7 Ų92.749%0.49148%0.477SS..Hα-helixtrans-61.2-43.4175.7-173.2173.5-174.8167.30112.6G90 V92 L96 R97 Q98G90-K94 PolarHBondContact O-N 3.43Å; V92-K94 VanDerWaalsContact C-N 3.27Å; V92-K94 PolarHBondContact O-N 3.3Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-R97 PolarHBondContact O-N 3.19Å; K94-Q98 VanDerWaalsContact O-CG 3.29Å; K94-Q98 WeakPolarHBondContact O-CG 3.42Å; K94-Q98 PolarHBondContact O-N 3.25Å
95T94.8Very high90.8Very high86 Ų8686 Ų8653%0.52846%0.456SS..Hα-helixtrans-63.1-41.6177-54.90000111.2P91 V92 I93 Q98 A99P91-T95 PolarHBondContact O-N 2.96Å; P91-T95 PolarHBondContact O-OG1 3.03Å; V92-T95 WeakPolarHBondContact O-CB 3.21Å; V92-T95 PolarHBondContact O-N 3.03Å; V92-T95 VanDerWaalsContact O-N 3.12Å; I93-T95 PolarHBondContact O-N 3.23Å; T95-Q98 PolarHBondContact O-N 2.96Å; T95-A99 PolarHBondContact O-N 3.31Å
96L93.6Very high90.6Very high62 Ų6289.3 Ų89.333%0.32548%0.479SS..Hα-helixtrans-62.9-45.3175.7-67.8171.6000111.6V92 I93 K94 Q98 A99 N100 I101V92-L96 HydrophobicContact CG1-CD1 4.14Å; V92-L96 HydrophobicContact CG1-CG 4.44Å; V92-L96 WeakPolarHBondContact O-CG 3.23Å; V92-L96 PolarHBondContact O-N 3.44Å; I93-L96 PolarHBondContact O-N 3.24Å; K94-L96 VanDerWaalsContact C-N 3.34Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.15Å; L96-A99 CarbonylContact O-C 3.5Å; L96-A99 PolarHBondContact O-N 3.48Å; L96-A99 VanDerWaalsContact O-N 3.09Å; L96-N100 PolarHBondContact O-N 2.95Å; L96-I101 CarbonylContact C-O 3.52Å; L96-I101 HydrophobicContact CB-CB 4.31Å; L96-I101 HydrophobicContact CD2-CB 4.47Å; L96-I101 HydrophobicContact CD2-CD1 3.95Å; L96-I101 HydrophobicContact CD2-CG2 4.44Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.21Å
97R88.2Confident90.1Very high92 Ų9285 Ų8535%0.34747%0.465SS..Hα-helixtrans-60.9-40.8175.3-73.1-177.2109.51661.7111.8I93 K94 A99 N100 P103 E122 M123 D128I93-R97 PolarHBondContact O-N 2.93Å; K94-R97 PolarHBondContact O-N 3.19Å; R97-A99 PolarHBondContact O-N 3.35Å; R97-N100 PolarHBondContact O-N 3.15Å; R97-P103 HydrophobicContact CG-CG 4.18Å; R97-E122 PolarHBondContact NH1-O 3.32Å; R97-E122 VanDerWaalsContact NH1-O 3.12Å; R97-M123 PolarHBondContact NH1-O 3.48Å; R97-D128 IonicContact NH2-OD2 3.97Å
98Q91.7Very high89.4Confident138 Ų13883.6 Ų83.665%0.64547%0.47SS*.Hα-helixtrans-63.5-29.2175.2-74172.7-10.500113.1K94 T95 L96 N100K94-Q98 VanDerWaalsContact O-CG 3.29Å; K94-Q98 WeakPolarHBondContact O-CG 3.42Å; K94-Q98 PolarHBondContact O-N 3.25Å; T95-Q98 PolarHBondContact O-N 2.96Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.15Å; Q98-N100 PolarHBondContact O-N 3.35Å
99A94.5Very high88.8Confident62 Ų6279.9 Ų79.951%0.51245%0.454SS..THydrogen-bonded Turntrans-83.510.4173.800000113.5T95 L96 R97 I101T95-A99 PolarHBondContact O-N 3.31Å; L96-A99 CarbonylContact O-C 3.5Å; L96-A99 PolarHBondContact O-N 3.48Å; L96-A99 VanDerWaalsContact O-N 3.09Å; R97-A99 PolarHBondContact O-N 3.35Å; A99-I101 HydrophobicContact CB-CD1 4.19Å; A99-I101 HydrophobicContact CB-CG1 4.25Å; A99-I101 PolarHBondContact O-N 3.02Å
100N89.1Confident88.3Confident157 Ų15779.8 Ų79.884%0.8445%0.45SS*.THydrogen-bonded Turntrans57.628.6-173.6-65.4-29.3000114.1L96 R97 Q98L96-N100 PolarHBondContact O-N 2.95Å; R97-N100 PolarHBondContact O-N 3.15Å; Q98-N100 PolarHBondContact O-N 3.35Å
101I88.8Confident87.9Confident94 Ų9480 Ų8048%0.48245%0.447SS..  trans-95.8119.2172.4-58.7172.7000107.9L96 A99 P103L96-I101 CarbonylContact C-O 3.52Å; L96-I101 HydrophobicContact CB-CB 4.31Å; L96-I101 HydrophobicContact CD2-CB 4.47Å; L96-I101 HydrophobicContact CD2-CD1 3.95Å; L96-I101 HydrophobicContact CD2-CG2 4.44Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.21Å; A99-I101 HydrophobicContact CB-CD1 4.19Å; A99-I101 HydrophobicContact CB-CG1 4.25Å; A99-I101 PolarHBondContact O-N 3.02Å; I101-P103 WeakPolarHBondContact O-CD 3.27Å
102R84.5Confident87.4Confident124 Ų12476.8 Ų76.847%0.46843%0.426SS..  trans-77111.1177.4-176.2-177-176.9-174.88.3110V104 I288 F293R102-V104 HydrophobicContact CG-CG2 4.42Å; R102-I288 PolarHBondContact NH2-O 3.41Å; R102-I288 VanDerWaalsContact NH2-O 3.11Å; R102-F293 PolarHBondContact NH2-O 3.34Å
103P84.9Confident86.9Confident28 Ų2873.1 Ų73.118%0.18240%0.404CS..  trans-72.2136.9171.730.8-33.4000110I93 R97 I101 M123I93-P103 HydrophobicContact CG2-CG 4.24Å; R97-P103 HydrophobicContact CG-CG 4.18Å; I101-P103 WeakPolarHBondContact O-CD 3.27Å; P103-M123 HydrophobicContact CB-CG 4.33Å; P103-M123 HydrophobicContact CB-SD 4.35Å; P103-M123 HydrophobicContact CG-CG 3.99Å
104V86.5Confident86.6Confident108 Ų10872.7 Ų72.766%0.65540%0.403SS*.  trans-126.7126.7175.3179.50000108.3R102 V106R102-V104 HydrophobicContact CG-CG2 4.42Å; V104-V106 HydrophobicContact CG1-CG2 4.41Å
105M86Confident86.4Confident70 Ų7067.7 Ų67.735%0.34538%0.382SS..  trans-95.7122.9175.1-177.3-176-69.900109.9T107 V117 A118 M123M105-T107 HydrophobicContact CG-CG2 4.33Å; M105-T107 HydrophobicContact SD-CG2 4.33Å; M105-V117 HydrophobicContact CE-CG1 4.17Å; M105-A118 HydrophobicContact CE-CB 4.19Å; M105-M123 HydrophobicContact CB-CE 3.51Å; M105-M123 HydrophobicContact CB-SD 3.9Å; M105-M123 HydrophobicContact CE-CE 3.75Å; M105-M123 HydrophobicContact CE-SD 4.41Å; M105-M123 HydrophobicContact CG-CE 4.46Å; M105-M123 HydrophobicContact SD-CE 4.28Å
106V84.9Confident86Confident139 Ų13964.5 Ų64.584%0.84236%0.363SS*.  trans-112.3122.3169.8-176.40000107.4V104V104-V106 HydrophobicContact CG1-CG2 4.41Å
107T82.4Confident85.8Confident60 Ų6062.5 Ų62.537%0.36835%0.353SS..  trans-144.2150.6-173.8179.20000111.6M105 D109 S114M105-T107 HydrophobicContact CG-CG2 4.33Å; M105-T107 HydrophobicContact SD-CG2 4.33Å; T107-D109 PolarHBondContact OG1-N 2.83Å; T107-D109 VanDerWaalsContact OG1-N 3.13Å; T107-S114 WeakPolarHBondContact CG2-OG 3.31Å
108G77.1Confident85.9Confident80 Ų8058.2 Ų58.283%0.82534%0.337SS*.SBendtrans-98.811.4172.400000113.5
109D81.9Confident85.7Confident34 Ų3453.8 Ų53.818%0.18232%0.315CS..SBendtrans-81.7164175-76.3-17.5000112R45 T107 I111 T113R45-D109 IonicContact CZ-OD1 3.61Å; R45-D109 IonicContact NE-OD1 3.49Å; R45-D109 IonicContact NH1-OD1 2.67Å; R45-D109 PolarHBondContact NH1-OD1 3.27Å; R45-D109 IonicContact NH1-OD2 3.98Å; R45-D109 PolarHBondContact NH1-OD2 3.25Å; R45-D109 IonicContact NH2-OD1 2.63Å; R45-D109 PolarHBondContact NH2-OD1 3.01Å; T107-D109 PolarHBondContact OG1-N 2.83Å; T107-D109 VanDerWaalsContact OG1-N 3.13Å; D109-I111 PolarHBondContact O-N 3.27Å; D109-T113 HydrophobicContact CB-CG2 4.44Å
110H80.4Confident85.4Confident32 Ų3255.9 Ų55.915%0.14832%0.317CS..  trans-57.5138.3174.2-170.9-90.7000110.6E22 L112 T113 S114 F268E22-H110 IonicContact OE1-CD2 2.99Å; E22-H110 IonicContact OE2-CD2 3.97Å; H110-L112 VanDerWaalsContact C-N 3.26Å; H110-L112 PolarHBondContact ND1-N 3.38Å; H110-L112 PolarHBondContact O-N 3.08Å; H110-L112 VanDerWaalsContact O-N 3.12Å; H110-T113 WeakPolarHBondContact O-CA 3.36Å; H110-T113 WeakPolarHBondContact O-CB 3.37Å; H110-T113 PolarHBondContact O-N 3.07Å; H110-S114 PolarHBondContact O-N 3.49Å; H110-S114 VanDerWaalsContact O-N 3.07Å; H110-S114 PolarHBondContact O-OG 3.27Å; H110-F268 AromaticContact NE2-CE1 3.7Å
111I83Confident85.4Confident20 Ų2048.7 Ų48.710%0.10328%0.279CS..Hα-helixtrans-51.1-44.5-172.6-71.3165.4000112.2D109 T113 S114 I115 I132 A296D109-I111 PolarHBondContact O-N 3.27Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 3.08Å; I111-S114 WeakPolarHBondContact O-CB 3.42Å; I111-S114 PolarHBondContact O-N 3.2Å; I111-I115 HydrophobicContact CG2-CD1 3.65Å; I111-I115 HydrophobicContact CG2-CG1 4.3Å; I111-I115 WeakPolarHBondContact O-CG1 3.05Å; I111-I115 PolarHBondContact O-N 3.28Å; I111-I132 HydrophobicContact CD1-CG2 4.03Å; I111-I132 HydrophobicContact CG2-CD1 3.88Å; I111-I132 HydrophobicContact CG2-CG1 4.45Å; I111-A296 HydrophobicContact CG2-CB 4.26Å
112L83.4Confident85.4Confident9 Ų950 Ų505%0.04728%0.283CS..Hα-helixtrans-63.1-38.9179.7-62.6-176.2000113.4L37 T40 R41 H110 S114 I115 S116 L193 L272L37-L112 HydrophobicContact CD1-CD1 3.47Å; L37-L112 VanDerWaalsContact CD1-CD1 3.47Å; T40-L112 CarbonylContact O-C 2.93Å; R41-L112 HydrophobicContact CG-CD1 4.42Å; H110-L112 VanDerWaalsContact C-N 3.26Å; H110-L112 PolarHBondContact ND1-N 3.38Å; H110-L112 PolarHBondContact O-N 3.08Å; H110-L112 VanDerWaalsContact O-N 3.12Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-I115 PolarHBondContact O-N 3Å; L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 3.04Å; L112-L193 HydrophobicContact CD2-CD1 3.25Å; L112-L193 HydrophobicContact CD2-CD2 3.52Å; L112-L193 HydrophobicContact CD2-CG 4Å; L112-L272 HydrophobicContact CD1-CD2 3.78Å; L112-L272 HydrophobicContact CD2-CD2 4.21Å; L112-L272 HydrophobicContact CG-CD2 4.23Å
113T85.3Confident85.6Confident2 Ų244.7 Ų44.71%0.01226%0.264CS..Hα-helixtrans-63.8-44.3175.9-58.10000109.5F44 N83 D109 H110 I111 S116 V117F44-T113 WeakPolarHBondContact O-CG2 3.2Å; F44-T113 PolarHBondContact O-OG1 3.41Å; N83-T113 WeakPolarHBondContact ND2-CG2 3.42Å; D109-T113 HydrophobicContact CB-CG2 4.44Å; H110-T113 WeakPolarHBondContact O-CA 3.36Å; H110-T113 WeakPolarHBondContact O-CB 3.37Å; H110-T113 PolarHBondContact O-N 3.07Å; I111-T113 VanDerWaalsContact C-N 3.34Å; I111-T113 PolarHBondContact O-N 3.08Å; T113-S116 PolarHBondContact O-N 3.02Å; T113-V117 HydrophobicContact CG2-CG2 4.44Å; T113-V117 VanDerWaalsContact O-CG2 3.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.47Å; T113-V117 PolarHBondContact O-N 2.91Å
114S86.7Confident85.7Confident17 Ų1744 Ų4412%0.11926%0.258CS..Hα-helixtrans-60.9-46.2178.4-50.40000112.2T107 H110 I111 L112 S116 V117 A118T107-S114 WeakPolarHBondContact CG2-OG 3.31Å; H110-S114 PolarHBondContact O-N 3.49Å; H110-S114 VanDerWaalsContact O-N 3.07Å; H110-S114 PolarHBondContact O-OG 3.27Å; I111-S114 WeakPolarHBondContact O-CB 3.42Å; I111-S114 PolarHBondContact O-N 3.2Å; L112-S114 VanDerWaalsContact C-N 3.32Å; S114-S116 PolarHBondContact O-N 3.49Å; S114-V117 PolarHBondContact O-N 3.49Å; S114-A118 WeakPolarHBondContact O-CB 3.12Å; S114-A118 PolarHBondContact O-N 3.07Å
115I86.4Confident85.5Confident8 Ų843.4 Ų43.44%0.04125%0.252CS..Hα-helixtrans-62.2-43.8176.6-66.5165.5000110.8I111 L112 A118 R119 V130 I132 L193I111-I115 HydrophobicContact CG2-CD1 3.65Å; I111-I115 HydrophobicContact CG2-CG1 4.3Å; I111-I115 WeakPolarHBondContact O-CG1 3.05Å; I111-I115 PolarHBondContact O-N 3.28Å; L112-I115 PolarHBondContact O-N 3Å; I115-A118 PolarHBondContact O-N 3.42Å; I115-R119 WeakPolarHBondContact O-CG 3.47Å; I115-R119 PolarHBondContact O-N 2.93Å; I115-V130 HydrophobicContact CD1-CG1 3.88Å; I115-V130 HydrophobicContact CG1-CG1 4.24Å; I115-I132 HydrophobicContact CD1-CD1 4.23Å; I115-L193 HydrophobicContact CD1-CD1 4.34Å
116S87.6Confident85.2Confident18 Ų1846.9 Ų46.913%0.12627%0.267CS..Hα-helixtrans-63.2-45.4178.31780000111.8G43 L112 T113 S114 A118 R119 N120G43-S116 VanDerWaalsContact CA-CB 3.46Å; G43-S116 WeakPolarHBondContact CA-OG 3.36Å; G43-S116 PolarHBondContact N-OG 3.39Å; L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 3.04Å; T113-S116 PolarHBondContact O-N 3.02Å; S114-S116 PolarHBondContact O-N 3.49Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.12Å; S116-R119 PolarHBondContact O-N 2.99Å; S116-N120 WeakPolarHBondContact O-CB 3.42Å; S116-N120 PolarHBondContact O-N 3.2Å; S116-N120 PolarHBondContact O-ND2 2.93Å; S116-N120 PolarHBondContact O-OD1 3.14Å
117V88.4Confident84.9Confident21 Ų2147.9 Ų47.913%0.12727%0.267CS..Hα-helixtrans-63.7-40.9176.6173.40000111.3N83 L85 M105 T113 S114 R119 N120 C121N83-V117 HydrophobicContact CB-CG2 4Å; L85-V117 HydrophobicContact CD2-CG1 3.81Å; M105-V117 HydrophobicContact CE-CG1 4.17Å; T113-V117 HydrophobicContact CG2-CG2 4.44Å; T113-V117 VanDerWaalsContact O-CG2 3.3Å; T113-V117 WeakPolarHBondContact O-CG2 3.47Å; T113-V117 PolarHBondContact O-N 2.91Å; S114-V117 PolarHBondContact O-N 3.49Å; V117-R119 VanDerWaalsContact C-N 3.34Å; V117-R119 PolarHBondContact O-N 2.86Å; V117-N120 PolarHBondContact O-N 3.01Å; V117-C121 PolarHBondContact O-N 3.35Å; V117-C121 PolarHBondContact O-SG 3.48Å
118A89.8Confident84.7Confident2 Ų246.4 Ų46.42%0.01726%0.257CS..Hα-helixtrans-63.1-37.517800000113.2M105 S114 I115 S116 C121 E122 M123 I124M105-A118 HydrophobicContact CE-CB 4.19Å; S114-A118 WeakPolarHBondContact O-CB 3.12Å; S114-A118 PolarHBondContact O-N 3.07Å; I115-A118 PolarHBondContact O-N 3.42Å; S116-A118 VanDerWaalsContact C-N 3.34Å; S116-A118 PolarHBondContact O-N 3.12Å; A118-C121 PolarHBondContact O-SG 3.29Å; A118-E122 PolarHBondContact O-N 3.37Å; A118-M123 HydrophobicContact CB-CE 3.43Å; A118-M123 VanDerWaalsContact CB-CE 3.43Å; A118-M123 WeakPolarHBondContact O-CB 3.4Å; A118-M123 PolarHBondContact O-N 3.48Å; A118-I124 HydrophobicContact CB-CB 4.45Å; A118-I124 HydrophobicContact CB-CD1 3.56Å; A118-I124 HydrophobicContact CB-CG1 3.83Å; A118-I124 PolarHBondContact O-N 3.13Å
119R88.7Confident84.8Confident45 Ų4548.2 Ų48.217%0.1724%0.239CC..Hα-helixtrans-69.6-43.6172.3-74.1177.7170.4158-5.4111.7I115 S116 V117 C121 E122 I124 Q194I115-R119 WeakPolarHBondContact O-CG 3.47Å; I115-R119 PolarHBondContact O-N 2.93Å; S116-R119 PolarHBondContact O-N 2.99Å; V117-R119 VanDerWaalsContact C-N 3.34Å; V117-R119 PolarHBondContact O-N 2.86Å; R119-C121 PolarHBondContact O-N 2.97Å; R119-E122 PolarHBondContact O-N 3.26Å; R119-I124 WeakPolarHBondContact CA-O 3.32Å; R119-I124 HydrophobicContact CG-CB 4.16Å; R119-I124 HydrophobicContact CG-CG2 4.29Å; R119-Q194 VanDerWaalsContact NH1-NE2 3.11Å
120N88.3Confident84.7Confident106 Ų10646.9 Ų46.957%0.56723%0.231SC*.Hα-helixtrans-62.3-26.4178.9-69.6-15.6000113.3L85 S116 V117L85-N120 VanDerWaalsContact CD1-C 3.49Å; L85-N120 HydrophobicContact CD1-CB 3.5Å; L85-N120 VanDerWaalsContact CD1-CB 3.5Å; S116-N120 WeakPolarHBondContact O-CB 3.42Å; S116-N120 PolarHBondContact O-N 3.2Å; S116-N120 PolarHBondContact O-ND2 2.93Å; S116-N120 PolarHBondContact O-OD1 3.14Å; V117-N120 PolarHBondContact O-N 3.01Å
121C89.1Confident84.6Confident5 Ų545.6 Ų45.63%0.03423%0.226CC..THydrogen-bonded Turntrans-97.112.2175.269.40000114.3L85 I93 V117 A118 R119 M123L85-C121 HydrophobicContact CD1-CB 3.81Å; L85-C121 HydrophobicContact CD2-CB 4.23Å; I93-C121 HydrophobicContact CD1-CB 3.74Å; I93-C121 VanDerWaalsContact CD1-SG 3.59Å; V117-C121 PolarHBondContact O-N 3.35Å; V117-C121 PolarHBondContact O-SG 3.48Å; A118-C121 PolarHBondContact O-SG 3.29Å; R119-C121 PolarHBondContact O-N 2.97Å; C121-M123 PolarHBondContact O-N 3.4Å; C121-M123 VanDerWaalsContact O-N 3.15Å
122E88.6Confident84.5Confident122 Ų12244.9 Ų44.957%0.5722%0.222SC*.THydrogen-bonded Turntrans58.323.1-180-55.9178.8-176.900113.9R97 A118 R119R97-E122 PolarHBondContact NH1-O 3.32Å; R97-E122 VanDerWaalsContact NH1-O 3.12Å; A118-E122 PolarHBondContact O-N 3.37Å; R119-E122 PolarHBondContact O-N 3.26Å
123M87.9Confident84.2Confident13 Ų1344.8 Ų44.86%0.06422%0.222CC..SBendtrans-76.5-35.8173.3-166.8-179.363.400110.9I93 R97 P103 M105 A118 C121 H294I93-M123 HydrophobicContact CD1-CB 4.43Å; I93-M123 HydrophobicContact CG2-CB 4.33Å; R97-M123 PolarHBondContact NH1-O 3.48Å; P103-M123 HydrophobicContact CB-CG 4.33Å; P103-M123 HydrophobicContact CB-SD 4.35Å; P103-M123 HydrophobicContact CG-CG 3.99Å; M105-M123 HydrophobicContact CB-CE 3.51Å; M105-M123 HydrophobicContact CB-SD 3.9Å; M105-M123 HydrophobicContact CE-CE 3.75Å; M105-M123 HydrophobicContact CE-SD 4.41Å; M105-M123 HydrophobicContact CG-CE 4.46Å; M105-M123 HydrophobicContact SD-CE 4.28Å; A118-M123 HydrophobicContact CB-CE 3.43Å; A118-M123 VanDerWaalsContact CB-CE 3.43Å; A118-M123 WeakPolarHBondContact O-CB 3.4Å; A118-M123 PolarHBondContact O-N 3.48Å; C121-M123 PolarHBondContact O-N 3.4Å; C121-M123 VanDerWaalsContact O-N 3.15Å; M123-H294 PolarHBondContact O-CE1 3.39Å
124I87.1Confident83.8Confident12 Ų1244.8 Ų44.86%0.06222%0.222CC..SBendtrans-119126.7174.9-56.9-179.4000107.4A118 R119 D128 V130 H294A118-I124 HydrophobicContact CB-CB 4.45Å; A118-I124 HydrophobicContact CB-CD1 3.56Å; A118-I124 HydrophobicContact CB-CG1 3.83Å; A118-I124 PolarHBondContact O-N 3.13Å; R119-I124 WeakPolarHBondContact CA-O 3.32Å; R119-I124 HydrophobicContact CG-CB 4.16Å; R119-I124 HydrophobicContact CG-CG2 4.29Å; I124-D128 HydrophobicContact CG2-CB 3.71Å; I124-V130 HydrophobicContact CD1-CG2 4.47Å; I124-V130 HydrophobicContact CG2-CG2 4.27Å; I124-H294 HydrophobicContact CD1-CB 3.89Å; I124-H294 HydrophobicContact CG1-CB 4.2Å
125D83.8Confident83.3Confident97 Ų9744.3 Ų44.352%0.51922%0.219SC..  trans-77.1165.2174.3-150.7-23.6000111.3L127 D128D125-L127 PolarHBondContact O-N 3.31Å; D125-D128 HydrophobicContact CB-CB 4.37Å; D125-D128 PolarHBondContact N-OD2 3.32Å; D125-D128 PolarHBondContact O-N 3.06Å
126E77.8Confident82.9Confident143 Ų14347.9 Ų47.967%0.66824%0.235SC*.THydrogen-bonded Turntrans-63.6-29.2177.6-68.1-176.3172.900112.4
127L78.8Confident82.4Confident159 Ų15950.3 Ų50.383%0.83225%0.251SS*.THydrogen-bonded Turntrans-92.2-10.3-179.8-58.7177.5000113.4D125D125-L127 PolarHBondContact O-N 3.31Å
128D79.3Confident81.9Confident29 Ų2951.5 Ų51.516%0.15526%0.259CS..SBendtrans-67.6140.2-179.2-78.2-3.3000110.3R97 I124 D125 H294R97-D128 IonicContact NH2-OD2 3.97Å; I124-D128 HydrophobicContact CG2-CB 3.71Å; D125-D128 HydrophobicContact CB-CB 4.37Å; D125-D128 PolarHBondContact N-OD2 3.32Å; D125-D128 PolarHBondContact O-N 3.06Å; D128-H294 IonicContact OD2-CD2 3.68Å; D128-H294 IonicContact OD2-CE1 3.92Å; D128-H294 IonicContact OD2-NE2 2.88Å; D128-H294 PolarHBondContact OD2-NE2 3.36Å
129R78.6Confident81.1Confident119 Ų11956.6 Ų56.645%0.44929%0.292SS..EExtended strand (participates in β ladder)trans-84126.5-179.6-66-175.2-179.4-171.7-0.8109.7D292 F293 H294R129-D292 PolarHBondContact N-O 3.45Å; R129-F293 HydrophobicContact CB-CD1 4.09Å; R129-F293 HydrophobicContact CB-CE1 4Å; R129-H294 PolarHBondContact O-N 3.49Å
130V80.1Confident79.6Confident5 Ų560.1 Ų60.13%0.0332%0.322CS..EExtended strand (participates in β ladder)trans-98.9122.7172.7-1780000108.6I115 I124 I132 A296I115-V130 HydrophobicContact CD1-CG1 3.88Å; I115-V130 HydrophobicContact CG1-CG1 4.24Å; I124-V130 HydrophobicContact CD1-CG2 4.47Å; I124-V130 HydrophobicContact CG2-CG2 4.27Å; V130-I132 HydrophobicContact CG1-CG1 4.08Å; V130-A296 HydrophobicContact CG1-CB 4.5Å
131V79Confident77.6Confident6 Ų661.3 Ų61.34%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-105114.7174.7176.30000107.4V133 F187 Y189 L283 F293 H294 A296V131-V133 HydrophobicContact CG1-CG2 4.22Å; V131-F187 HydrophobicContact CG1-CB 4.33Å; V131-F187 HydrophobicContact CG1-CD1 3.49Å; V131-F187 VanDerWaalsContact CG1-CD1 3.49Å; V131-F187 HydrophobicContact CG1-CE1 4.29Å; V131-F187 HydrophobicContact CG1-CG 4.36Å; V131-Y189 HydrophobicContact CG2-CD1 4.43Å; V131-Y189 HydrophobicContact CG2-CE1 3.96Å; V131-L283 HydrophobicContact CG1-CD1 4.36Å; V131-L283 HydrophobicContact CG2-CD2 4.38Å; V131-F293 HydrophobicContact CG2-CD1 3.72Å; V131-F293 HydrophobicContact CG2-CE1 4.26Å; V131-H294 PolarHBondContact N-O 2.99Å; V131-H294 VanDerWaalsContact N-O 3.14Å; V131-A296 PolarHBondContact O-N 2.8Å
132I80.2Confident75.3Confident4 Ų463.9 Ų63.92%0.02136%0.363CS..EExtended strand (participates in β ladder)trans-96.3130.7175.9-53.9-178.7000109I111 I115 V130 F187 H188 T190 Y273I111-I132 HydrophobicContact CD1-CG2 4.03Å; I111-I132 HydrophobicContact CG2-CD1 3.88Å; I111-I132 HydrophobicContact CG2-CG1 4.45Å; I115-I132 HydrophobicContact CD1-CD1 4.23Å; V130-I132 HydrophobicContact CG1-CG1 4.08Å; I132-F187 WeakPolarHBondContact O-CA 3.16Å; I132-H188 HydrophobicContact CB-CB 4.48Å; I132-H188 PolarHBondContact N-O 3.31Å; I132-H188 PolarHBondContact O-N 2.84Å; I132-T190 HydrophobicContact CD1-CG2 3.27Å; I132-T190 HydrophobicContact CG1-CG2 4.06Å; I132-Y273 HydrophobicContact CB-CE1 3.7Å; I132-Y273 HydrophobicContact CD1-CE1 3.75Å; I132-Y273 HydrophobicContact CG1-CE1 4.28Å; I132-Y273 HydrophobicContact CG2-CE1 3.6Å; I132-Y273 WeakPolarHBondContact CG2-OH 3.33Å
133V77.7Confident72.6Confident8 Ų865.8 Ų65.85%0.04838%0.377CS..EExtended strand (participates in β ladder)trans-112.6123.6-176.9179.70000109.2V131 V185 F187 L295 A296 L297 T301V131-V133 HydrophobicContact CG1-CG2 4.22Å; V133-V185 HydrophobicContact CG1-CG1 3.33Å; V133-F187 HydrophobicContact CG1-CE1 4.48Å; V133-F187 HydrophobicContact CG2-CD1 3.57Å; V133-F187 HydrophobicContact CG2-CE1 3.5Å; V133-F187 VanDerWaalsContact CG2-CE1 3.5Å; V133-L295 HydrophobicContact CB-CD1 4.21Å; V133-L295 HydrophobicContact CG2-CD1 3.38Å; V133-A296 PolarHBondContact N-O 2.72Å; V133-L297 HydrophobicContact CB-CD2 3.58Å; V133-L297 HydrophobicContact CB-CG 4.48Å; V133-L297 HydrophobicContact CG1-CD2 3.7Å; V133-T301 WeakPolarHBondContact O-CG2 3.39Å; V133-T301 PolarHBondContact O-OG1 3.4Å
134T75.1Confident69.9Low1 Ų174.3 Ų74.31%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-115139.6170.752.20000108.9V185 Q186 E269 Y273T134-V185 CarbonylContact O-C 3.57Å; T134-V185 VanDerWaalsContact O-CA 3.25Å; T134-V185 WeakPolarHBondContact O-CA 3.39Å; T134-Q186 PolarHBondContact N-O 3.25Å; T134-Q186 PolarHBondContact O-N 2.87Å; T134-Q186 PolarHBondContact OG1-O 3.23Å; T134-E269 WeakPolarHBondContact CG2-OE2 3.47Å; T134-Y273 HydrophobicContact CG2-CE2 3.63Å
135A77.5Confident67.2Low7 Ų781.9 Ų81.96%0.05846%0.457CS..EExtended strand (participates in β ladder)trans-123.2139.1178.100000108.7L184 V185 T301 V304 I305A135-L184 WeakPolarHBondContact CA-O 3.42Å; A135-V185 HydrophobicContact CB-CG2 4.4Å; A135-T301 HydrophobicContact CB-CG2 3.7Å; A135-V304 HydrophobicContact CB-CB 4.35Å; A135-V304 HydrophobicContact CB-CG1 3.94Å; A135-I305 HydrophobicContact CB-CD1 4.25Å; A135-I305 HydrophobicContact CB-CG1 3.76Å
136H77.8Confident64.9Low83 Ų8385.6 Ų85.638%0.38447%0.472SS..  trans-112.5142.3176.9-60.9-53.6000110.1L184 Y309H136-L184 PolarHBondContact N-O 3.35Å; H136-Y309 VanDerWaalsContact O-CE2 3.3Å; H136-Y309 WeakPolarHBondContact O-CE2 3.21Å; H136-Y309 PolarHBondContact O-OH 3.21Å
137P77.9Confident62.7Low70 Ų7084.4 Ų84.446%0.45548%0.476SS..PPolyproline II helixtrans-60.2148.4173.926.3-33.1000109.7
138P77.8Confident60.9Low45 Ų4583 Ų8329%0.29247%0.468SS..PPolyproline II helixtrans-60.9141.5178.525.7-32.2000109.2C140 H308 Y309P138-C140 PolarHBondContact O-N 3.44Å; P138-H308 VanDerWaalsContact CD-CG 3.47Å; P138-H308 HydrophobicContact CG-CB 4.31Å; P138-Y309 WeakPolarHBondContact CD-OH 3.17Å
139P72.8Confident58.8Low110 Ų11088.8 Ų88.871%0.71450%0.498SS*.PPolyproline II helixtrans-56.8128.3176.820.6-29.2000109.6
140C56.2Low57Low119 Ų11987.4 Ų87.480%0.80450%0.503SS*.PPolyproline II helixtrans-54.9132.5-179.6-70.90000110P138 G142P138-C140 PolarHBondContact O-N 3.44Å; C140-G142 VanDerWaalsContact C-N 3.29Å; C140-G142 PolarHBondContact O-N 3.19Å
141P47.7Very low54.6Low131 Ų13191.8 Ų91.885%0.85153%0.531SS*.SBendtrans-70.789.4175.627.4-31.5000109.5
142G39.7Very low52.1Low58 Ų5899.1 Ų99.160%0.59857%0.571SS**  trans-149.397.8173.500000108C140C140-G142 VanDerWaalsContact C-N 3.29Å; C140-G142 PolarHBondContact O-N 3.19Å
143N32.2Very low49.8Very low163 Ų163105 Ų10587%0.87261%0.607SS**SBendtrans77.573.2-178-56.2-17.2000115.9
144E31.8Very low47.3Very low191 Ų191107.7 Ų107.789%0.89364%0.636SS**  175.4139.1118.5-91174.6-153.500109.5Q146E144-Q146 PolarHBondContact O-N 3.01Å
145N29.8Very low44.9Very low172 Ų172117.4 Ų117.492%0.9268%0.679SS**  trans-6494.4-174.3-71.3-36.3000112.4
146Q35.5Very low42.4Very low175 Ų175122.8 Ų122.882%0.81872%0.716SS**  trans-146.5131.7151-68.9-165.79.200110.6E144 I148E144-Q146 PolarHBondContact O-N 3.01Å; Q146-I148 PolarHBondContact O-N 3.42Å
147P31.8Very low39.9Very low118 Ų118123.7 Ų123.777%0.76673%0.731SS**  trans-72.6129.6176.629.4-30.7000109.9L149P147-L149 PolarHBondContact O-N 3.35Å
148I40.6Very low37.4Very low129 Ų129129 Ų12966%0.66275%0.75SS**  trans-64.5105.8170.5-59.4172.4000107.5Q146 V150Q146-I148 PolarHBondContact O-N 3.42Å; I148-V150 PolarHBondContact O-N 3.48Å; I148-V150 VanDerWaalsContact O-N 3.14Å
149L34.6Very low35Very low150 Ų150133.9 Ų133.979%0.78578%0.78SS**  trans-75.695.9173.5-118.3144.4000108.2P147P147-L149 PolarHBondContact O-N 3.35Å
150V40.6Very low33Very low90 Ų90136.6 Ų136.655%0.54579%0.788SS.*  trans-63.4125.4164-133.80000107.1I148 N152I148-V150 PolarHBondContact O-N 3.48Å; I148-V150 VanDerWaalsContact O-N 3.14Å; V150-N152 PolarHBondContact O-N 3.24Å; V150-N152 VanDerWaalsContact O-N 3.08Å
151P30.3Very low31.9Very low97 Ų97136 Ų13663%0.6378%0.783SS**  trans-64116.2172.6-15.328.2000107.8T153P151-T153 VanDerWaalsContact C-N 3.34Å; P151-T153 PolarHBondContact O-N 2.96Å
152N27.1Very low31Very low161 Ų161139.7 Ų139.786%0.86179%0.785SS**  trans-59.599.6170-86.3-17000108.3V150 G154V150-N152 PolarHBondContact O-N 3.24Å; V150-N152 VanDerWaalsContact O-N 3.08Å; N152-G154 VanDerWaalsContact C-N 3.28Å; N152-G154 PolarHBondContact O-N 2.99Å
153T31.2Very low30.3Very low127 Ų127144.3 Ų144.378%0.77980%0.797SS**  trans-67.996.6158.437.40000106.7P151 F155P151-T153 VanDerWaalsContact C-N 3.34Å; P151-T153 PolarHBondContact O-N 2.96Å; T153-F155 PolarHBondContact O-N 3.15Å
154G25.2Very low30.2Very low65 Ų65144.2 Ų144.267%0.6779%0.794SS**  trans-56.7102.9175.100000110.8N152N152-G154 VanDerWaalsContact C-N 3.28Å; N152-G154 PolarHBondContact O-N 2.99Å
155F24.9Very low30Very low204 Ų204143.7 Ų143.790%0.89579%0.792SS**  trans-116.189.1149.4-105-91.6000106.3T153T153-F155 PolarHBondContact O-N 3.15Å
156S25Very low29.9Very low120 Ų120142.9 Ų142.984%0.83979%0.788SS**  trans-121.987.5168.1-46.60000107
157S25.4Very low29.6Very low102 Ų102140.5 Ų140.571%0.71379%0.787SS**  trans-82.9120.7161.651.40000108.4
158E25.2Very low29.4Very low182 Ų182142.2 Ų142.285%0.8579%0.788SS**  trans77.195.8154.4-58.2-178.3176.600118.3
159T28.5Very low28.8Very low148 Ų148143.9 Ų143.991%0.90880%0.799SS**  -158.5138.7115.130.30000110.5
160N29.1Very low28.4Very low166 Ų166141.7 Ų141.789%0.88880%0.802SS**  trans-71.5170.9-167.5-106.3-22.7000115.2
161P33.6Very low27.7Very low108 Ų108140.7 Ų140.770%0.70181%0.81SS**  trans-107.7152-139.939.9-32.8000114.3
162K28.8Very low27.6Very low207 Ų207143.8 Ų143.890%0.982%0.821SS**  trans-149.1117.7155.9-71.2-168.5178.3172.10111.4
163N25.4Very low27.6Very low156 Ų156144.3 Ų144.383%0.83482%0.824SS**  trans24.4126.2151.2-78.5-15.2000119.3
164I29.5Very low27.6Very low160 Ų160146.7 Ų146.782%0.82182%0.823SS**  -172115.4107.3-85.4147.8000109.5
165Q28.9Very low28Very low181 Ų181149.6 Ų149.685%0.84682%0.824SS**  trans15129.2149.1-66.3159.60.500120.7
166D26.4Very low28.4Very low155 Ų155149.8 Ų149.883%0.82982%0.824SS**  trans-54.7159163.7-60.1-44.7000112.8
167P29.1Very low29.5Very low124 Ų124148 Ų14881%0.80581%0.811SS**  -136140.311034.5-22000114.5
168I27.8Very low30.2Very low154 Ų154148 Ų14879%0.7980%0.804SS**  trans-37.9125.7162.7-59.8153.4000111.8
169N28.9Very low30.9Very low165 Ų165144.9 Ų144.988%0.88279%0.793SS**  trans-152128.7143.7-96.6-31.2000111.1
170A26.4Very low31.6Very low104 Ų104143.3 Ų143.386%0.8678%0.778SS**  trans-75.6144.4178.400000111.6
171G25.5Very low32.3Very low68 Ų68139.8 Ų139.870%0.70176%0.759SS**  trans150.3119.5165.900000113
172D28.3Very low32.7Very low162 Ų162139 Ų13987%0.86675%0.748SS**  trans74.264.1158.6-55.5-20.8000119.8
173N27.2Very low33.6Very low172 Ų172133.4 Ų133.492%0.9274%0.736SS**  trans-97.858.5158-92.1-15.7000111.7
174K30.4Very low34.8Very low177 Ų177127.6 Ų127.677%0.7770%0.704SS**SBendtrans-144.2123.2169.6-76.1-169.1177.6175.60111.6
175N33Very low35.6Very low127 Ų127120.6 Ų120.668%0.67967%0.669SS**SBendtrans87.734.5152-48.6-12.6000120.2
176F33.6Very low36.9Very low208 Ų208116.4 Ų116.491%0.91265%0.649SS**SBendtrans-110.7-8.7174.4-117.5-90.6000115.9
177S49Very low38Very low81 Ų81111.6 Ų111.657%0.56662%0.621SS**SBendtrans-92.2-32-179.356.50000114.6
178D39.5Very low39.1Very low103 Ų103106.2 Ų106.255%0.55159%0.585SS**Hα-helixtrans-85.1-30.2-168.5-69.8-0.6000112.5I181 N182D178-I181 PolarHBondContact O-N 3.1Å; D178-N182 WeakPolarHBondContact O-CB 3.47Å; D178-N182 PolarHBondContact O-N 3.49Å; D178-N182 PolarHBondContact O-ND2 2.94Å; D178-N182 VanDerWaalsContact O-ND2 3.12Å
179D39.6Very low40.1Very low116 Ų116101 Ų10162%0.6256%0.556SS**Hα-helixtrans-72.1-32.6-176.6-75.5-19000113S183D179-S183 PolarHBondContact O-N 3.46Å; D179-S183 VanDerWaalsContact O-N 3.15Å
180L44.5Very low41.2Very low115 Ų11593.9 Ų93.960%0.60252%0.518SS*.Hα-helixtrans-72.3-39.9175.8-154.381.8000111S183 L184L180-S183 PolarHBondContact O-N 3.29Å; L180-L184 HydrophobicContact CG-CD1 4.31Å; L180-L184 WeakPolarHBondContact O-CD1 3.39Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 2.75Å
181I42.3Very low42.2Very low93 Ų9395.7 Ų95.748%0.47751%0.509SS..Hα-helixtrans-67-41.8177.4-64174000110.3D178 S183 L184 V185D178-I181 PolarHBondContact O-N 3.1Å; I181-S183 PolarHBondContact O-N 3.24Å; I181-L184 PolarHBondContact O-N 3.09Å; I181-V185 PolarHBondContact O-N 3.42Å
182N42Very low43Very low91 Ų9194.8 Ų94.849%0.48749%0.488SS..Hα-helixtrans-63.1-26174.8-75-28.6000113.1D178D178-N182 WeakPolarHBondContact O-CB 3.47Å; D178-N182 PolarHBondContact O-N 3.49Å; D178-N182 PolarHBondContact O-ND2 2.94Å; D178-N182 VanDerWaalsContact O-ND2 3.12Å
183S49.3Very low43.9Very low90 Ų9088.4 Ų88.463%0.62945%0.454SS*.Hα-helixtrans-78.8-21.6174.4-170.80000113.4D179 L180 I181D179-S183 PolarHBondContact O-N 3.46Å; D179-S183 VanDerWaalsContact O-N 3.15Å; L180-S183 PolarHBondContact O-N 3.29Å; I181-S183 PolarHBondContact O-N 3.24Å
184L49.5Very low44.6Very low33 Ų3385 Ų8517%0.17343%0.432CS..Hα-helixtrans-102.7-30.3-173.5-61.7164.6000112.1A135 H136 L180 I181 Y309A135-L184 WeakPolarHBondContact CA-O 3.42Å; H136-L184 PolarHBondContact N-O 3.35Å; L180-L184 HydrophobicContact CG-CD1 4.31Å; L180-L184 WeakPolarHBondContact O-CD1 3.39Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 2.75Å; I181-L184 PolarHBondContact O-N 3.09Å; L184-Y309 HydrophobicContact CB-CE1 4.5Å; L184-Y309 HydrophobicContact CD1-CE1 4.02Å; L184-Y309 HydrophobicContact CD2-CE1 4.18Å; L184-Y309 WeakPolarHBondContact CD2-OH 3.4Å; L184-Y309 HydrophobicContact CG-CE1 4.44Å
185V47.2Very low44.8Very low14 Ų1483 Ų839%0.08542%0.423CS..EExtended strand (participates in β ladder)trans-132.4113.4-176.1-177.80000109.4V133 T134 A135 I181 F187V133-V185 HydrophobicContact CG1-CG1 3.33Å; T134-V185 CarbonylContact O-C 3.57Å; T134-V185 VanDerWaalsContact O-CA 3.25Å; T134-V185 WeakPolarHBondContact O-CA 3.39Å; A135-V185 HydrophobicContact CB-CG2 4.4Å; I181-V185 PolarHBondContact O-N 3.42Å; V185-F187 HydrophobicContact CG1-CE2 4.16Å; V185-F187 HydrophobicContact CG1-CZ 4.05Å
186Q55.7Low44.5Very low92 Ų9281.5 Ų81.543%0.4342%0.421SS..EExtended strand (participates in β ladder)trans-98.9130.7178.8-163.4170.88.400110.3T134 H188T134-Q186 PolarHBondContact N-O 3.25Å; T134-Q186 PolarHBondContact O-N 2.87Å; T134-Q186 PolarHBondContact OG1-O 3.23Å; Q186-H188 VanDerWaalsContact CD-NE2 3.35Å; Q186-H188 WeakPolarHBondContact CG-NE2 3.49Å; Q186-H188 PolarHBondContact NE2-CE1 2.92Å; Q186-H188 VanDerWaalsContact NE2-CE1 3.26Å
187F50.1Low44.2Very low54 Ų5477 Ų7724%0.23741%0.41CS..EExtended strand (participates in β ladder)trans-100132175.4-62.9-84.5000110.1V131 I132 V133 V185 L283V131-F187 HydrophobicContact CG1-CB 4.33Å; V131-F187 HydrophobicContact CG1-CD1 3.49Å; V131-F187 VanDerWaalsContact CG1-CD1 3.49Å; V131-F187 HydrophobicContact CG1-CE1 4.29Å; V131-F187 HydrophobicContact CG1-CG 4.36Å; I132-F187 WeakPolarHBondContact O-CA 3.16Å; V133-F187 HydrophobicContact CG1-CE1 4.48Å; V133-F187 HydrophobicContact CG2-CD1 3.57Å; V133-F187 HydrophobicContact CG2-CE1 3.5Å; V133-F187 VanDerWaalsContact CG2-CE1 3.5Å; V185-F187 HydrophobicContact CG1-CE2 4.16Å; V185-F187 HydrophobicContact CG1-CZ 4.05Å; F187-L283 HydrophobicContact CB-CD1 3.49Å; F187-L283 VanDerWaalsContact CB-CD1 3.49Å; F187-L283 HydrophobicContact CD1-CD1 4.26Å; F187-L283 HydrophobicContact CG-CD1 3.88Å
188H51.7Low43Very low12 Ų1278.4 Ų78.46%0.05642%0.416CS..EExtended strand (participates in β ladder)trans-126.6127.8177.8-62.7-68.2000111.2I132 Q186 Y273I132-H188 HydrophobicContact CB-CB 4.48Å; I132-H188 PolarHBondContact N-O 3.31Å; I132-H188 PolarHBondContact O-N 2.84Å; Q186-H188 VanDerWaalsContact CD-NE2 3.35Å; Q186-H188 WeakPolarHBondContact CG-NE2 3.49Å; Q186-H188 PolarHBondContact NE2-CE1 2.92Å; Q186-H188 VanDerWaalsContact NE2-CE1 3.26Å; H188-Y273 HydrophobicContact CB-CD1 3.14Å; H188-Y273 HydrophobicContact CB-CE1 3.69Å; H188-Y273 HydrophobicContact CB-CG 3.73Å; H188-Y273 AromaticContact CD2-CD1 3.4Å; H188-Y273 VanDerWaalsContact CD2-CD1 3.4Å; H188-Y273 WeakPolarHBondContact CD2-CD1 3.41Å; H188-Y273 AromaticContact CD2-CD2 3.31Å; H188-Y273 WeakPolarHBondContact CD2-CD2 3.22Å; H188-Y273 AromaticContact CD2-CE1 3.77Å; H188-Y273 AromaticContact CD2-CE2 3.75Å; H188-Y273 AromaticContact CD2-CG 3.15Å; H188-Y273 AromaticContact CD2-CZ 3.96Å; H188-Y273 WeakPolarHBondContact CE1-CB 3.5Å; H188-Y273 AromaticContact CE1-CG 3.78Å; H188-Y273 VanDerWaalsContact CG-CB 3.47Å; H188-Y273 AromaticContact CG-CD1 3.29Å; H188-Y273 AromaticContact CG-CD2 3.96Å; H188-Y273 AromaticContact CG-CE1 3.97Å; H188-Y273 AromaticContact CG-CG 3.29Å; H188-Y273 WeakPolarHBondContact ND1-CB 3.44Å; H188-Y273 AromaticContact ND1-CG 3.74Å; H188-Y273 AromaticContact NE2-CD2 3.4Å; H188-Y273 WeakPolarHBondContact NE2-CD2 3.2Å; H188-Y273 AromaticContact NE2-CG 3.47Å
189Y47.5Very low42.3Very low45 Ų4581.8 Ų81.818%0.17643%0.428CS..EExtended strand (participates in β ladder)trans-83.2130.5169.8-74-76000110V131 L283 F293V131-Y189 HydrophobicContact CG2-CD1 4.43Å; V131-Y189 HydrophobicContact CG2-CE1 3.96Å; Y189-L283 HydrophobicContact CE2-CD1 3.72Å; Y189-L283 HydrophobicContact CE2-CG 4.37Å; Y189-L283 WeakPolarHBondContact OH-CD1 3.29Å; Y189-L283 WeakPolarHBondContact OH-CD2 3.45Å; Y189-L283 WeakPolarHBondContact OH-CG 3.42Å; Y189-F293 HydrophobicContact CE1-CE1 4.26Å
190T53.5Low41.5Very low14 Ų1482.3 Ų82.39%0.08644%0.435CS..  trans-106.376.5172.157.30000111.4I132 D192 L193I132-T190 HydrophobicContact CD1-CG2 3.27Å; I132-T190 HydrophobicContact CG1-CG2 4.06Å; T190-D192 VanDerWaalsContact C-N 3.33Å; T190-L193 HydrophobicContact CG2-CD1 3.64Å; T190-L193 HydrophobicContact CG2-CG 4.21Å
191E46.9Very low40.4Very low142 Ų14281.5 Ų81.566%0.66444%0.435SS*.SBendtrans-77.6-22.5170.2-66-174.7167.700111.7
192D42.1Very low39.5Very low50 Ų5083.3 Ų83.327%0.26745%0.451SS..SBendtrans-104.91.6-165.2-83.7-22.4000116.4T190 Q194 K195 N275T190-D192 VanDerWaalsContact C-N 3.33Å; D192-Q194 PolarHBondContact O-N 3.32Å; D192-Q194 VanDerWaalsContact O-N 3.08Å; D192-K195 PolarHBondContact O-N 3.24Å; D192-K195 IonicContact OD1-NZ 3.57Å; D192-K195 PolarHBondContact OD1-NZ 2.9Å; D192-N275 PolarHBondContact OD2-ND2 3.32Å
193L47.2Very low38.7Very low27 Ų2784.3 Ų84.314%0.14146%0.46CS..THydrogen-bonded Turntrans-68.1-12.6-175.9-75.7171.7000114.5L112 I115 T190L112-L193 HydrophobicContact CD2-CD1 3.25Å; L112-L193 HydrophobicContact CD2-CD2 3.52Å; L112-L193 HydrophobicContact CD2-CG 4Å; I115-L193 HydrophobicContact CD1-CD1 4.34Å; T190-L193 HydrophobicContact CG2-CD1 3.64Å; T190-L193 HydrophobicContact CG2-CG 4.21Å
194Q41Very low37.5Very low101 Ų10186.9 Ų86.947%0.47247%0.467SS..THydrogen-bonded Turntrans-100.6-11179.3-78.4167.4-32.600114.4R119 D192 P196R119-Q194 VanDerWaalsContact NH1-NE2 3.11Å; D192-Q194 PolarHBondContact O-N 3.32Å; D192-Q194 VanDerWaalsContact O-N 3.08Å; Q194-P196 WeakPolarHBondContact O-CD 3.27Å
195K35.4Very low36.3Very low134 Ų13492.8 Ų92.858%0.58350%0.497SS*.SBendtrans-78.5121.9174.8-69178.1-168.8147.50108.7D192 V197D192-K195 PolarHBondContact O-N 3.24Å; D192-K195 IonicContact OD1-NZ 3.57Å; D192-K195 PolarHBondContact OD1-NZ 2.9Å; K195-V197 PolarHBondContact O-N 3.27Å
196P26.7Very low35.2Very low96 Ų9699.8 Ų99.862%0.62353%0.529SS*.  trans-54.4133.2160.825.5-30.7000106.4Q194 T198Q194-P196 WeakPolarHBondContact O-CD 3.27Å; P196-T198 PolarHBondContact O-N 2.63Å; P196-T198 PolarHBondContact O-OG1 3.49Å
197V27.8Very low33.8Very low114 Ų114103.4 Ų103.469%0.69155%0.55SS**  trans-69.382.4172.7179.40000106.5K195K195-V197 PolarHBondContact O-N 3.27Å
198T23.6Very low32.5Very low111 Ų111110.1 Ų110.168%0.68158%0.58SS**  trans-105.3115.516142.70000105.4P196P196-T198 PolarHBondContact O-N 2.63Å; P196-T198 PolarHBondContact O-OG1 3.49Å
199E23.9Very low31.2Very low173 Ų173120.1 Ų120.181%0.80862%0.617SS**  trans82.999.3176-57.8-173.1158.200117.3T201E199-T201 VanDerWaalsContact C-N 3.35Å; E199-T201 PolarHBondContact O-N 3.23Å
200V23Very low30Very low128 Ų128124.7 Ų124.778%0.77664%0.644SS**  trans-77.890.9151-176.50000106.4T202V200-T202 PolarHBondContact O-N 3.12Å
201T22.4Very low28.8Very low97 Ų97132.6 Ų132.660%0.59569%0.685SS**  trans-75.2109170.3-52.50000108.2E199 T203E199-T201 VanDerWaalsContact C-N 3.35Å; E199-T201 PolarHBondContact O-N 3.23Å; T201-T203 HydrophobicContact CG2-CG2 4.04Å; T201-T203 PolarHBondContact O-N 3.34Å; T201-T203 VanDerWaalsContact O-N 3.08Å
202T23.5Very low27.8Very low131 Ų131131.2 Ų131.280%0.80469%0.686SS**  trans-66102.3166.241.20000108.2V200V200-T202 PolarHBondContact O-N 3.12Å
203T23.9Very low26.9Very low112 Ų112138 Ų13869%0.68771%0.713SS**  trans-102.2101.1163.750.80000108.7T201 I205T201-T203 HydrophobicContact CG2-CG2 4.04Å; T201-T203 PolarHBondContact O-N 3.34Å; T201-T203 VanDerWaalsContact O-N 3.08Å; T203-I205 PolarHBondContact O-N 3.08Å
204N23.9Very low26Very low145 Ų145142.1 Ų142.178%0.77574%0.74SS**  trans-73.796.6171-154.7-16000107.4Q206N204-Q206 PolarHBondContact O-N 3.32Å
205I25.4Very low25.2Very low156 Ų156143.5 Ų143.580%0.875%0.751SS**  trans-81.280.8169.9-59.7179.3000107.6T203T203-I205 PolarHBondContact O-N 3.08Å
206Q24.6Very low24.8Very low162 Ų162143.5 Ų143.576%0.75776%0.757SS**  trans-159.892.3156.5-116.6166-9.300108.7N204N204-Q206 PolarHBondContact O-N 3.32Å
207L25.5Very low24.7Very low168 Ų168149.5 Ų149.588%0.8877%0.767SS**  168.895.6128.1-91.4149.5000110.8R209L207-R209 PolarHBondContact O-N 2.94Å
208K22.4Very low24.7Very low195 Ų195152.4 Ų152.485%0.84877%0.773SS**  trans-64.6115.8144.1-111178.7177.2174.20107.1
209R24.2Very low24.8Very low221 Ų221153.1 Ų153.183%0.83478%0.778SS**  172.5115.7126.4-94.4167.5174.6114-3111.8L207L207-R209 PolarHBondContact O-N 2.94Å
210N22.9Very low25Very low142 Ų142150.7 Ų150.776%0.75978%0.78SS**  trans47.5103.8138.6-58.7-9.4000118.8
211L29.1Very low25.1Very low179 Ų179154.2 Ų154.294%0.93779%0.785SS**  -145133.1127.3-104.7128000110.9
212T24.7Very low25.7Very low113 Ų113155.3 Ų155.369%0.69379%0.793SS**  trans-85147.7-168.243.30000113
213K24.1Very low25.8Very low192 Ų192154 Ų15484%0.83579%0.79SS**  trans61129.9144.5-67.6178.4173.2-178.90115.9
214T27.5Very low25.8Very low115 Ų115158 Ų15871%0.70680%0.798SS**  -168.4131.355.638.60000111.1
215D23.9Very low26.1Very low129 Ų129161.4 Ų161.469%0.6981%0.806SS**  51.9132.4126.5-65-29.4000120.7
216N27.5Very low26.1Very low134 Ų134163 Ų16372%0.71781%0.808SS**  cis-153.7136.945.1-80.5-57.9000110.2
217R24.5Very low26.1Very low222 Ų222166.1 Ų166.184%0.83881%0.812SS**  47.7121.296.2-69.1-178.9175171.4-0.2112.9
218E28.2Very low26.2Very low175 Ų175166 Ų16682%0.81881%0.809SS**  -154.513961.6-79.8-179.6155.400114.9
219T24.8Very low26.3Very low127 Ų127165.6 Ų165.678%0.77981%0.807SS**  trans35.4137.8134.473.10000120.7
220S28.3Very low26.5Very low121 Ų121159.7 Ų159.785%0.84680%0.796SS**  cis-168.5167.84052.80000113.3
221K26.3Very low26.6Very low202 Ų202164.7 Ų164.788%0.87880%0.804SS**  trans-70.4171.3-164.7-78.4179.4179.6177.90118.9
222P34.5Very low26.7Very low120 Ų120165 Ų16578%0.77980%0.798SS**  trans-109167.2-164.640.7-30.6000115.2
223S24.8Very low26.6Very low104 Ų104163 Ų16373%0.72780%0.8SS**  trans-172.5136.2152.159.70000113.9
224F24.6Very low26.8Very low196 Ų196164.2 Ų164.286%0.8681%0.806SS**  trans54.8119.4142.5-81.7-102.1000120.6
225F31.3Very low26.7Very low217 Ų217161.6 Ų161.695%0.95280%0.802SS**  trans-150.3143.3132.2-108.1-77.7000113.9
226K25.4Very low26.6Very low190 Ų190167.2 Ų167.283%0.82681%0.814SS**  trans-74.9145.4180-114.6165.8172.7171.40112
227R24Very low26.6Very low227 Ų227168.8 Ų168.886%0.85782%0.821SS**  trans29.5112.4132.2-168.4175.9-177.51730.8117.4
228M27.9Very low26.5Very low165 Ų165167.2 Ų167.281%0.81382%0.823SS**  trans-138.1119155.1-163.7148.3111.300111.6T230M228-T230 HydrophobicContact CE-CG2 4.42Å
229K24.4Very low26.4Very low187 Ų187163.7 Ų163.781%0.81382%0.818SS**  trans-72.7129.1159.9-85.5178.1169-179.10107.5
230T28.8Very low26.3Very low97 Ų97163.2 Ų163.260%0.59582%0.82SS**  trans-150.6127.2153.423.10000110.7M228M228-T230 HydrophobicContact CE-CG2 4.42Å
231R24.1Very low26.1Very low246 Ų246162 Ų16293%0.92881%0.811SS**  trans-49.3131.9165.6-66.7170.3176.9169.2-2.4109.8
232F30.4Very low25.8Very low185 Ų185161.7 Ų161.781%0.81181%0.81SS**  trans-129.5124157.4-91.8-83.5000109.2
233G24.4Very low25.2Very low72 Ų72162 Ų16274%0.74281%0.809SS**  trans-67.6143.6176.700000110.9G235G233-G235 VanDerWaalsContact C-N 3.28Å; G233-G235 PolarHBondContact O-N 2.91Å
234F27.6Very low25Very low217 Ų217165 Ų16595%0.95282%0.816SS**  trans-68.387.9171.3-87.9-90.7000109.8R236F234-R236 PolarHBondContact O-N 3.42Å
235G24.1Very low24.8Very low60 Ų60161.5 Ų161.562%0.61981%0.811SS**  trans-71115.7159.100000109G233 L237G233-G235 VanDerWaalsContact C-N 3.28Å; G233-G235 PolarHBondContact O-N 2.91Å; G235-L237 VanDerWaalsContact C-N 3.33Å; G235-L237 PolarHBondContact O-N 3.22Å
236R23.5Very low24.3Very low248 Ų248155.6 Ų155.694%0.93680%0.803SS**  trans-64.587.7173.5-164.3176.9-173175.21.8109.1F234 Q238F234-R236 PolarHBondContact O-N 3.42Å; R236-Q238 PolarHBondContact O-N 3.5Å
237L26.6Very low24.1Very low166 Ų166151.5 Ų151.587%0.86980%0.798SS**  trans-82112.6172.5-99.2135.6000109.5G235 S239G235-L237 VanDerWaalsContact C-N 3.33Å; G235-L237 PolarHBondContact O-N 3.22Å; L237-S239 PolarHBondContact O-N 3.43Å
238Q23.4Very low24Very low189 Ų189148.1 Ų148.188%0.88380%0.796SS**  trans-58.5113.2170.4-72.1174.2-40.100109.7R236R236-Q238 PolarHBondContact O-N 3.5Å
239S25.6Very low23.7Very low102 Ų102145.1 Ų145.171%0.71379%0.787SS**  trans-84.4109161.2174.80000108.3L237 S241L237-S239 PolarHBondContact O-N 3.43Å; S239-S241 PolarHBondContact O-N 3.26Å; S239-S241 VanDerWaalsContact O-N 3.1Å
240S22.2Very low23.6Very low117 Ų117143 Ų14382%0.81879%0.789SS**  trans-72.295.4171.7-164.20000108.5K242S240-K242 PolarHBondContact O-N 3.36Å
241S23.9Very low23.4Very low95 Ų95140.7 Ų140.766%0.66479%0.785SS**  trans-82108.2170.9-65.10000108.7S239 V243S239-S241 PolarHBondContact O-N 3.26Å; S239-S241 VanDerWaalsContact O-N 3.1Å; S241-V243 PolarHBondContact O-N 2.99Å; S241-V243 VanDerWaalsContact O-N 3.12Å
242K21.1Very low23.6Very low196 Ų196136 Ų13685%0.85278%0.778SS**  trans-60111.3165.6-76.5178176.6176.50108.2S240 L244S240-K242 PolarHBondContact O-N 3.36Å; K242-L244 PolarHBondContact O-N 3.5Å
243V21.5Very low23.5Very low125 Ų125132.3 Ų132.376%0.75877%0.771SS**  trans-67.3108.2170.5176.50000107.7S241 T245S241-V243 PolarHBondContact O-N 2.99Å; S241-V243 VanDerWaalsContact O-N 3.12Å; V243-T245 PolarHBondContact O-N 3.05Å
244L20Very low23.7Very low167 Ų167135.7 Ų135.787%0.87477%0.77SS**  trans-86.1100.7166.4-90.4159.8000107.9K242 A246K242-L244 PolarHBondContact O-N 3.5Å; L244-A246 PolarHBondContact O-N 2.67Å
245T20.2Very low23.7Very low123 Ų123132.8 Ų132.876%0.75576%0.764SS**  trans-74.5100.6171.9-43.30000108.6V243V243-T245 PolarHBondContact O-N 3.05Å
246A21.4Very low23.8Very low94 Ų94139.4 Ų139.478%0.77778%0.776SS**  trans-90.199.7166.200000108.6L244L244-A246 PolarHBondContact O-N 2.67Å
247S20.9Very low24Very low103 Ų103133.8 Ų133.872%0.7276%0.763SS**  trans-86.1117.9167.2-177.20000108.1
248L22.5Very low23.9Very low156 Ų156132.8 Ų132.882%0.81776%0.759SS**  trans-115.3105.5170.3-116140.6000107.3
249T20.3Very low24Very low102 Ų102128.4 Ų128.463%0.62675%0.749SS**  trans-69.8133.2177.440.40000110.1G251T249-G251 PolarHBondContact O-N 3.02Å
250V24Very low24Very low143 Ų143132.9 Ų132.987%0.86776%0.756SS**THydrogen-bonded Turntrans-69.122-172.8-177.80000113.4
251G24.5Very low24.1Very low48 Ų48136.8 Ų136.850%0.49576%0.761SS.*THydrogen-bonded Turntrans-89.1-27.3-171.600000116.6T249T249-G251 PolarHBondContact O-N 3.02Å
252D26.7Very low24.3Very low149 Ų149137.8 Ų137.880%0.79776%0.758SS**SBendtrans-1046-157.3-64-24.2000115.8
253V30Very low24.4Very low107 Ų107137.3 Ų137.365%0.64876%0.759SS**  trans-93.9-3.6-174.6-177.30000113.4N255V253-N255 PolarHBondContact O-N 3.15Å
254I27.9Very low24.8Very low142 Ų142136.5 Ų136.573%0.72875%0.754SS**THydrogen-bonded Turntrans-75.8-12.2-165.2-67.5177.6000115.3
255N26.8Very low25.4Very low156 Ų156133.9 Ų133.983%0.83474%0.74SS**THydrogen-bonded Turntrans-120.826.2-169.4-77.7-21000117.3V253V253-N255 PolarHBondContact O-N 3.15Å
256K27.4Very low26.2Very low199 Ų199132.2 Ų132.287%0.86574%0.74SS**  trans-144.742-178.2-135.7177.5-173.1178.90116.7
257I27.1Very low27.1Very low131 Ų131130.7 Ų130.767%0.67272%0.718SS**  trans-116.980165.9-53.2176.9000107.6
258D24.2Very low27.9Very low144 Ų144128.2 Ų128.277%0.7770%0.695SS**SBendtrans-133.2124.2150-149.7-17.1000107.6
259S25.9Very low28.8Very low98 Ų98123.4 Ų123.469%0.68567%0.668SS**SBendtrans52.690.6163.418.60000118.3
260K25.4Very low29.7Very low195 Ų195124.8 Ų124.885%0.84867%0.665SS**  trans-159.4123.9140.3-108168.3-170.6-172.10110.3I262K260-I262 PolarHBondContact O-N 3.46Å
261E24.1Very low30.4Very low199 Ų199125.5 Ų125.593%0.9365%0.654SS**  trans-53.4124.2165.4-73.8170.6145.300108.6
262I27.9Very low31.3Very low116 Ų116125.1 Ų125.160%0.59564%0.64SS**  trans-102.9107.2177.3-63.8173.3000105.9L27 K260 V264L27-I262 HydrophobicContact CD1-CD1 4.42Å; L27-I262 HydrophobicContact CD2-CD1 3.9Å; L27-I262 HydrophobicContact CG-CD1 4.08Å; K260-I262 PolarHBondContact O-N 3.46Å; I262-V264 PolarHBondContact O-N 2.92Å
263E24.5Very low32.1Very low187 Ų187118.6 Ų118.687%0.87460%0.604SS**  trans-56.3117.1164.8-87.2178.7141.900108.6D265E263-D265 PolarHBondContact O-N 3.42Å
264V29.3Very low32.5Very low108 Ų108120.1 Ų120.166%0.65560%0.602SS**  trans-71.198.7173.3-174.30000106.8I262 A266I262-V264 PolarHBondContact O-N 2.92Å; V264-A266 PolarHBondContact O-N 3.48Å
265D32.4Very low32.8Very low111 Ų111119.1 Ų119.159%0.59460%0.598SS**  trans-66.4104.3-169.9-161.35.2000111.4E263 D267E263-D265 PolarHBondContact O-N 3.42Å; D265-D267 PolarHBondContact O-N 2.91Å; D265-D267 VanDerWaalsContact O-N 3.07Å; D265-D267 VanDerWaalsContact OD1-CB 3.27Å; D265-D267 WeakPolarHBondContact OD1-CB 3.4Å; D265-D267 PolarHBondContact OD1-N 3.19Å
266A36.1Very low33.3Very low89 Ų89113.2 Ų113.274%0.73657%0.569SS**THydrogen-bonded Turntrans-64-2.1173.400000113.1V264 F268V264-A266 PolarHBondContact O-N 3.48Å; A266-F268 VanDerWaalsContact C-N 3.26Å; A266-F268 PolarHBondContact O-N 3.18Å
267D40.8Very low33.6Very low62 Ų62109.7 Ų109.733%0.33256%0.56SS.*Hα-helixtrans-77.43-176.3-77.7-15.4000115.2D265 K270 Y271D265-D267 PolarHBondContact O-N 2.91Å; D265-D267 VanDerWaalsContact O-N 3.07Å; D265-D267 VanDerWaalsContact OD1-CB 3.27Å; D265-D267 WeakPolarHBondContact OD1-CB 3.4Å; D265-D267 PolarHBondContact OD1-N 3.19Å; D267-K270 HydrophobicContact CB-CB 4.48Å; D267-K270 PolarHBondContact O-N 2.82Å; D267-K270 VanDerWaalsContact OD1-CD 3.25Å; D267-K270 WeakPolarHBondContact OD1-CD 3.24Å; D267-K270 IonicContact OD1-NZ 3.94Å; D267-Y271 PolarHBondContact O-N 2.94Å; D267-Y271 VanDerWaalsContact O-N 3.16Å
268F39.3Very low34Very low51 Ų51112.1 Ų112.122%0.22457%0.568CS.*Hα-helixtrans-61.5-47.9176.2-173.3-98.2000112.8R33 L36 H110 A266 L272R33-F268 HydrophobicContact CG-CE2 4.41Å; R33-F268 VanDerWaalsContact CZ-CD2 3.47Å; R33-F268 PolarHBondContact NH2-O 2.8Å; R33-F268 VanDerWaalsContact NH2-O 3.08Å; L36-F268 HydrophobicContact CD2-CE2 4.25Å; L36-F268 HydrophobicContact CD2-CZ 4.13Å; H110-F268 AromaticContact NE2-CE1 3.7Å; A266-F268 VanDerWaalsContact C-N 3.26Å; A266-F268 PolarHBondContact O-N 3.18Å; F268-L272 HydrophobicContact CD1-CD1 4.29Å; F268-L272 HydrophobicContact CE1-CD1 3.81Å; F268-L272 HydrophobicContact CZ-CD1 4.37Å
269E40.8Very low34.4Very low54 Ų54111.6 Ų111.625%0.25257%0.565SS.*Hα-helixtrans-65.1-45.4175.2-80.9-164.5160.500111T134 Y271 L272 Y273T134-E269 WeakPolarHBondContact CG2-OE2 3.47Å; E269-Y271 PolarHBondContact O-N 3.45Å; E269-L272 WeakPolarHBondContact O-CB 3.16Å; E269-L272 PolarHBondContact O-N 2.89Å; E269-Y273 HydrophobicContact CB-CD2 4.16Å; E269-Y273 HydrophobicContact CB-CE2 3.81Å; E269-Y273 HydrophobicContact CG-CE2 4.14Å; E269-Y273 WeakPolarHBondContact O-CD2 3.47Å; E269-Y273 WeakPolarHBondContact O-CE2 3.49Å; E269-Y273 PolarHBondContact O-N 2.84Å
270K39.5Very low34.9Very low131 Ų131117.2 Ų117.257%0.5757%0.572SS**Hα-helixtrans-55.4-31.9-178.8-134.1173.6-170.6173.30113.6D267 K274D267-K270 HydrophobicContact CB-CB 4.48Å; D267-K270 PolarHBondContact O-N 2.82Å; D267-K270 VanDerWaalsContact OD1-CD 3.25Å; D267-K270 WeakPolarHBondContact OD1-CD 3.24Å; D267-K270 IonicContact OD1-NZ 3.94Å; K270-K274 WeakPolarHBondContact O-CA 3.47Å; K270-K274 VanDerWaalsContact O-CB 3.26Å; K270-K274 WeakPolarHBondContact O-CB 3.45Å; K270-K274 PolarHBondContact O-N 3.36Å
271Y37.7Very low35.5Very low159 Ų159113.2 Ų113.262%0.62456%0.56SS**Hα-helixtrans-79.1-31.7177.4-138.3-82.5000113.8D267 E269 Y273D267-Y271 PolarHBondContact O-N 2.94Å; D267-Y271 VanDerWaalsContact O-N 3.16Å; E269-Y271 PolarHBondContact O-N 3.45Å; Y271-Y273 PolarHBondContact O-N 3.01Å
272L43.4Very low36.4Very low39 Ų39109.1 Ų109.120%0.20455%0.553CS.*Hα-helixtrans-64.8-24.8173.3-79.8164.9000111.4L37 L112 F268 E269L37-L272 HydrophobicContact CD1-CD2 4.3Å; L112-L272 HydrophobicContact CD1-CD2 3.78Å; L112-L272 HydrophobicContact CD2-CD2 4.21Å; L112-L272 HydrophobicContact CG-CD2 4.23Å; F268-L272 HydrophobicContact CD1-CD1 4.29Å; F268-L272 HydrophobicContact CE1-CD1 3.81Å; F268-L272 HydrophobicContact CZ-CD1 4.37Å; E269-L272 WeakPolarHBondContact O-CB 3.16Å; E269-L272 PolarHBondContact O-N 2.89Å
273Y43.2Very low37.2Very low13 Ų13105.2 Ų105.25%0.05153%0.533CS..SBendtrans-114.3-1.4-170.5-57.2-50.8000115.1I132 T134 H188 E269 Y271 N275 S276I132-Y273 HydrophobicContact CB-CE1 3.7Å; I132-Y273 HydrophobicContact CD1-CE1 3.75Å; I132-Y273 HydrophobicContact CG1-CE1 4.28Å; I132-Y273 HydrophobicContact CG2-CE1 3.6Å; I132-Y273 WeakPolarHBondContact CG2-OH 3.33Å; T134-Y273 HydrophobicContact CG2-CE2 3.63Å; H188-Y273 HydrophobicContact CB-CD1 3.14Å; H188-Y273 HydrophobicContact CB-CE1 3.69Å; H188-Y273 HydrophobicContact CB-CG 3.73Å; H188-Y273 AromaticContact CD2-CD1 3.4Å; H188-Y273 VanDerWaalsContact CD2-CD1 3.4Å; H188-Y273 WeakPolarHBondContact CD2-CD1 3.41Å; H188-Y273 AromaticContact CD2-CD2 3.31Å; H188-Y273 WeakPolarHBondContact CD2-CD2 3.22Å; H188-Y273 AromaticContact CD2-CE1 3.77Å; H188-Y273 AromaticContact CD2-CE2 3.75Å; H188-Y273 AromaticContact CD2-CG 3.15Å; H188-Y273 AromaticContact CD2-CZ 3.96Å; H188-Y273 WeakPolarHBondContact CE1-CB 3.5Å; H188-Y273 AromaticContact CE1-CG 3.78Å; H188-Y273 VanDerWaalsContact CG-CB 3.47Å; H188-Y273 AromaticContact CG-CD1 3.29Å; H188-Y273 AromaticContact CG-CD2 3.96Å; H188-Y273 AromaticContact CG-CE1 3.97Å; H188-Y273 AromaticContact CG-CG 3.29Å; H188-Y273 WeakPolarHBondContact ND1-CB 3.44Å; H188-Y273 AromaticContact ND1-CG 3.74Å; H188-Y273 AromaticContact NE2-CD2 3.4Å; H188-Y273 WeakPolarHBondContact NE2-CD2 3.2Å; H188-Y273 AromaticContact NE2-CG 3.47Å; E269-Y273 HydrophobicContact CB-CD2 4.16Å; E269-Y273 HydrophobicContact CB-CE2 3.81Å; E269-Y273 HydrophobicContact CG-CE2 4.14Å; E269-Y273 WeakPolarHBondContact O-CD2 3.47Å; E269-Y273 WeakPolarHBondContact O-CE2 3.49Å; E269-Y273 PolarHBondContact O-N 2.84Å; Y271-Y273 PolarHBondContact O-N 3.01Å; Y273-N275 PolarHBondContact O-N 3.16Å; Y273-S276 PolarHBondContact O-N 2.74Å; Y273-S276 PolarHBondContact O-OG 3.17Å
274K38.8Very low38.2Very low138 Ų13899 Ų9960%0.651%0.51SS*.THydrogen-bonded Turntrans-65.7-11.8-171.6-131.5172.2-179.8173.40114.6K270K270-K274 WeakPolarHBondContact O-CA 3.47Å; K270-K274 VanDerWaalsContact O-CB 3.26Å; K270-K274 WeakPolarHBondContact O-CB 3.45Å; K270-K274 PolarHBondContact O-N 3.36Å
275N34.3Very low39.2Very low122 Ų12298.5 Ų98.565%0.65251%0.511SS*.THydrogen-bonded Turntrans-92.21.6179.5-84.218000115D192 Y273 N277D192-N275 PolarHBondContact OD2-ND2 3.32Å; Y273-N275 PolarHBondContact O-N 3.16Å; N275-N277 PolarHBondContact O-N 2.75Å
276S37.6Very low39.8Very low31 Ų31100.6 Ų100.622%0.21752%0.517CS..  trans-9417.6-175.475.30000115.6Y273 E278Y273-S276 PolarHBondContact O-N 2.74Å; Y273-S276 PolarHBondContact O-OG 3.17Å; S276-E278 PolarHBondContact O-N 3.42Å
277N34Very low40.5Very low125 Ų12598.7 Ų98.767%0.66849%0.494SS*.THydrogen-bonded Turntrans-85.74.3-173.7-104-8.2000115.4N275N275-N277 PolarHBondContact O-N 2.75Å
278E35Very low41.1Very low182 Ų18298 Ų9885%0.8549%0.49SS*.THydrogen-bonded Turntrans-100.4-4.3-173.9-74.4-164.2158.400117.1S276S276-E278 PolarHBondContact O-N 3.42Å
279N33Very low41.9Very low133 Ų133101.8 Ų101.871%0.71151%0.512SS*.  trans-155.599.5166.8-92.4-36.5000110.4D281N279-D281 PolarHBondContact O-N 2.74Å; N279-D281 VanDerWaalsContact O-N 3.08Å
280R36.1Very low42.8Very low217 Ų217103.8 Ų103.882%0.81952%0.522SS*.  trans-8174.5168-70.2-174.4-178.7-176.6-0.9108.9S282R280-S282 PolarHBondContact O-N 3.41Å
281D38.6Very low43.9Very low111 Ų111101.9 Ų101.959%0.59452%0.522SS*.  trans-68.7114.9154.4-76.3-23.9000106.2N279 L283N279-D281 PolarHBondContact O-N 2.74Å; N279-D281 VanDerWaalsContact O-N 3.08Å; D281-L283 PolarHBondContact O-N 2.84Å
282S41.9Very low45.3Very low112 Ų11298.6 Ų98.678%0.78352%0.516SS*.  trans-59.8107.217954.40000109.7R280 S284R280-S282 PolarHBondContact O-N 3.41Å; S282-S284 PolarHBondContact O-N 2.83Å
283L44.7Very low46.3Very low35 Ų3597.5 Ų97.518%0.18351%0.509CS..  trans-66.2114.5176-94.5150.1000109.7V131 F187 Y189 D281 M287V131-L283 HydrophobicContact CG1-CD1 4.36Å; V131-L283 HydrophobicContact CG2-CD2 4.38Å; F187-L283 HydrophobicContact CB-CD1 3.49Å; F187-L283 VanDerWaalsContact CB-CD1 3.49Å; F187-L283 HydrophobicContact CD1-CD1 4.26Å; F187-L283 HydrophobicContact CG-CD1 3.88Å; Y189-L283 HydrophobicContact CE2-CD1 3.72Å; Y189-L283 HydrophobicContact CE2-CG 4.37Å; Y189-L283 WeakPolarHBondContact OH-CD1 3.29Å; Y189-L283 WeakPolarHBondContact OH-CD2 3.45Å; Y189-L283 WeakPolarHBondContact OH-CG 3.42Å; D281-L283 PolarHBondContact O-N 2.84Å; L283-M287 HydrophobicContact CD2-CB 4.27Å; L283-M287 HydrophobicContact CD2-CE 4.39Å; L283-M287 HydrophobicContact CD2-SD 4.13Å
284S45.7Very low47.6Very low57 Ų5798.1 Ų98.140%0.39951%0.513SS..  trans-89147.4167.191.30000109.6S282 Q286 M287S282-S284 PolarHBondContact O-N 2.83Å; S284-Q286 PolarHBondContact O-N 3.15Å; S284-M287 WeakPolarHBondContact O-CB 3.43Å; S284-M287 PolarHBondContact O-N 3.12Å
285S50.4Low49.1Very low96 Ų9695.5 Ų95.567%0.67151%0.505SS*.G310 helixtrans-58.8-20.3-178.886.90000113.1M287 I288S285-M287 PolarHBondContact O-N 3.25Å; S285-I288 PolarHBondContact O-N 3.1Å
286Q45.9Very low50.9Low155 Ų15590.7 Ų90.772%0.72448%0.482SS*.G310 helixtrans-67-20.1176.5-65.5-176.3-24.800113.1S284 I288S284-Q286 PolarHBondContact O-N 3.15Å; Q286-I288 VanDerWaalsContact C-N 3.3Å; Q286-I288 PolarHBondContact O-N 3.5Å
287M49.8Very low52.6Low49 Ų4992 Ų9224%0.24149%0.486CS..G310 helixtrans-73.2-22.3176.8-63.5179.567.600112.6L283 S284 S285 D289 Q290 F293L283-M287 HydrophobicContact CD2-CB 4.27Å; L283-M287 HydrophobicContact CD2-CE 4.39Å; L283-M287 HydrophobicContact CD2-SD 4.13Å; S284-M287 WeakPolarHBondContact O-CB 3.43Å; S284-M287 PolarHBondContact O-N 3.12Å; S285-M287 PolarHBondContact O-N 3.25Å; M287-D289 VanDerWaalsContact C-N 3.25Å; M287-D289 PolarHBondContact O-N 3.08Å; M287-Q290 PolarHBondContact O-N 3.24Å; M287-F293 HydrophobicContact CE-CE1 4.08Å; M287-F293 HydrophobicContact CE-CE2 4.18Å; M287-F293 HydrophobicContact CE-CZ 3.5Å; M287-F293 VanDerWaalsContact CE-CZ 3.5Å; M287-F293 VanDerWaalsContact O-CD2 3.3Å; M287-F293 WeakPolarHBondContact O-CD2 3.49Å
288I53.7Low54.5Low49 Ų4987 Ų8725%0.25146%0.461SS..G310 helixtrans-71.8-22.7-178.4-55.8173000111.9R102 S285 Q286 Q290R102-I288 PolarHBondContact NH2-O 3.41Å; R102-I288 VanDerWaalsContact NH2-O 3.11Å; S285-I288 PolarHBondContact O-N 3.1Å; Q286-I288 VanDerWaalsContact C-N 3.3Å; Q286-I288 PolarHBondContact O-N 3.5Å; I288-Q290 VanDerWaalsContact C-N 3.32Å
289D55Low56.3Low129 Ų12980.8 Ų80.869%0.6945%0.446SS*.G310 helixtrans-82.7-8.9177.3-76.2-22.4000113.3M287M287-D289 VanDerWaalsContact C-N 3.25Å; M287-D289 PolarHBondContact O-N 3.08Å
290Q61.6Low58.3Low97 Ų9779.8 Ų79.845%0.45344%0.435SS..SBendtrans-74.8141.9174.6-71.2-165.5000111.4M287 I288 D292 F293M287-Q290 PolarHBondContact O-N 3.24Å; I288-Q290 VanDerWaalsContact C-N 3.32Å; Q290-D292 PolarHBondContact O-N 3.47Å; Q290-D292 VanDerWaalsContact O-N 3.15Å; Q290-F293 HydrophobicContact CB-CD2 3.83Å; Q290-F293 HydrophobicContact CB-CE2 4.36Å; Q290-F293 PolarHBondContact O-N 2.77Å
291P62.2Low60.3Low90 Ų9069.7 Ų69.758%0.58440%0.397SS*.THydrogen-bonded Turntrans-65.3-18.2-177.326.2-33.9000113.7F293P291-F293 VanDerWaalsContact C-N 3.28Å
292D65.6Low62.3Low91 Ų9169.6 Ų69.649%0.48739%0.389SS..THydrogen-bonded Turntrans-85.5-4-176.4-53.3-11000112.4R129 Q290R129-D292 PolarHBondContact N-O 3.45Å; Q290-D292 PolarHBondContact O-N 3.47Å; Q290-D292 VanDerWaalsContact O-N 3.15Å
293F64.9Low64.1Low15 Ų1567.5 Ų67.57%0.06637%0.374CS..EExtended strand (participates in β ladder)trans-113.6128.1179.2-68.8-91.8000111.2R102 R129 V131 Y189 M287 Q290 P291R102-F293 PolarHBondContact NH2-O 3.34Å; R129-F293 HydrophobicContact CB-CD1 4.09Å; R129-F293 HydrophobicContact CB-CE1 4Å; V131-F293 HydrophobicContact CG2-CD1 3.72Å; V131-F293 HydrophobicContact CG2-CE1 4.26Å; Y189-F293 HydrophobicContact CE1-CE1 4.26Å; M287-F293 HydrophobicContact CE-CE1 4.08Å; M287-F293 HydrophobicContact CE-CE2 4.18Å; M287-F293 HydrophobicContact CE-CZ 3.5Å; M287-F293 VanDerWaalsContact CE-CZ 3.5Å; M287-F293 VanDerWaalsContact O-CD2 3.3Å; M287-F293 WeakPolarHBondContact O-CD2 3.49Å; Q290-F293 HydrophobicContact CB-CD2 3.83Å; Q290-F293 HydrophobicContact CB-CE2 4.36Å; Q290-F293 PolarHBondContact O-N 2.77Å; P291-F293 VanDerWaalsContact C-N 3.28Å
294H70.9Confident65.9Low27 Ų2767.1 Ų67.113%0.12537%0.373CS..EExtended strand (participates in β ladder)trans-113.1128.6174.6-59.7-89.9000110M123 I124 D128 R129 V131M123-H294 PolarHBondContact O-CE1 3.39Å; I124-H294 HydrophobicContact CD1-CB 3.89Å; I124-H294 HydrophobicContact CG1-CB 4.2Å; D128-H294 IonicContact OD2-CD2 3.68Å; D128-H294 IonicContact OD2-CE1 3.92Å; D128-H294 IonicContact OD2-NE2 2.88Å; D128-H294 PolarHBondContact OD2-NE2 3.36Å; R129-H294 PolarHBondContact O-N 3.49Å; V131-H294 PolarHBondContact N-O 2.99Å; V131-H294 VanDerWaalsContact N-O 3.14Å
295L71Confident67.6Low83 Ų8365.1 Ų65.144%0.43536%0.358SS..EExtended strand (participates in β ladder)trans-90.6123.3179.3-179.468.1000109.8V133 L297V133-L295 HydrophobicContact CB-CD1 4.21Å; V133-L295 HydrophobicContact CG2-CD1 3.38Å; L295-L297 HydrophobicContact CD1-CG 4.45Å; L295-L297 HydrophobicContact CD2-CD1 3.91Å; L295-L297 HydrophobicContact CD2-CG 4.43Å; L295-L297 HydrophobicContact CG-CD1 4.26Å; L295-L297 HydrophobicContact CG-CG 4.25Å
296A72.2Confident69.1Low20 Ų2066 Ų6617%0.16535%0.351CS..EExtended strand (participates in β ladder)trans-117.5125.6170.100000110.3I111 V130 V131 V133I111-A296 HydrophobicContact CG2-CB 4.26Å; V130-A296 HydrophobicContact CG1-CB 4.5Å; V131-A296 PolarHBondContact O-N 2.8Å; V133-A296 PolarHBondContact N-O 2.72Å
297L72.7Confident70.9Confident59 Ų5965.7 Ų65.731%0.30935%0.35SS..EExtended strand (participates in β ladder)trans-121.2133.6178.4-73.5161.4000109.2V133 L295 T301 I305V133-L297 HydrophobicContact CB-CD2 3.58Å; V133-L297 HydrophobicContact CB-CG 4.48Å; V133-L297 HydrophobicContact CG1-CD2 3.7Å; L295-L297 HydrophobicContact CD1-CG 4.45Å; L295-L297 HydrophobicContact CD2-CD1 3.91Å; L295-L297 HydrophobicContact CD2-CG 4.43Å; L295-L297 HydrophobicContact CG-CD1 4.26Å; L295-L297 HydrophobicContact CG-CG 4.25Å; L297-T301 HydrophobicContact CD2-CG2 3.59Å; L297-I305 HydrophobicContact CD2-CD1 4.07Å
298S74.6Confident72.5Confident20 Ų2066.3 Ų66.314%0.1435%0.352CS..  trans-74.1155169.785.90000110.2K300 T301 W302S298-K300 PolarHBondContact O-N 2.87Å; S298-K300 PolarHBondContact OG-N 2.84Å; S298-T301 WeakPolarHBondContact O-CB 3.28Å; S298-T301 PolarHBondContact O-N 3.44Å; S298-T301 WeakPolarHBondContact OG-CB 3.42Å; S298-T301 PolarHBondContact OG-N 2.93Å; S298-T301 PolarHBondContact OG-OG1 3.25Å; S298-W302 PolarHBondContact O-N 3.03Å
299G71.8Confident73.9Confident51 Ų5164.3 Ų64.353%0.52634%0.341SS..Hα-helixtrans-59.2-35172.700000112.7W302 S303G299-W302 PolarHBondContact O-N 3.29Å; G299-S303 PolarHBondContact O-N 3.36Å; G299-S303 PolarHBondContact O-OG 3.03Å
300K75.5Confident75Confident113 Ų11361.3 Ų61.349%0.49133%0.331SS..Hα-helixtrans-63.9-47.6174.7-68.1-179-1781760110.8E22 S298 W302 S303 V304E22-K300 PolarHBondContact O-NZ 3.31Å; E22-K300 VanDerWaalsContact O-NZ 3.15Å; S298-K300 PolarHBondContact O-N 2.87Å; S298-K300 PolarHBondContact OG-N 2.84Å; K300-W302 VanDerWaalsContact C-N 3.33Å; K300-W302 PolarHBondContact O-N 2.87Å; K300-S303 PolarHBondContact O-N 3.4Å; K300-V304 WeakPolarHBondContact O-CG2 3.49Å; K300-V304 PolarHBondContact O-N 2.8Å
301T78.5Confident75.8Confident4 Ų463.5 Ų63.53%0.02534%0.335CS..Hα-helixtrans-57.4-47.2175.1-57.60000111V133 A135 L297 S298 S303 V304 I305V133-T301 WeakPolarHBondContact O-CG2 3.39Å; V133-T301 PolarHBondContact O-OG1 3.4Å; A135-T301 HydrophobicContact CB-CG2 3.7Å; L297-T301 HydrophobicContact CD2-CG2 3.59Å; S298-T301 WeakPolarHBondContact O-CB 3.28Å; S298-T301 PolarHBondContact O-N 3.44Å; S298-T301 WeakPolarHBondContact OG-CB 3.42Å; S298-T301 PolarHBondContact OG-N 2.93Å; S298-T301 PolarHBondContact OG-OG1 3.25Å; T301-S303 VanDerWaalsContact C-N 3.34Å; T301-S303 PolarHBondContact O-N 3.32Å; T301-V304 PolarHBondContact O-N 3.22Å; T301-I305 HydrophobicContact CG2-CD1 3.82Å; T301-I305 HydrophobicContact CG2-CG1 4.4Å; T301-I305 WeakPolarHBondContact O-CG1 3.18Å; T301-I305 PolarHBondContact O-N 3.12Å
302W79.5Confident76.4Confident110 Ų11063.6 Ų63.642%0.41733%0.33SS..Hα-helixtrans-60.8-42.9178.4177.9-101.8000112.1S298 G299 K300 V304 I305 Q306 I313S298-W302 PolarHBondContact O-N 3.03Å; G299-W302 PolarHBondContact O-N 3.29Å; K300-W302 VanDerWaalsContact C-N 3.33Å; K300-W302 PolarHBondContact O-N 2.87Å; W302-V304 PolarHBondContact O-N 3.19Å; W302-I305 PolarHBondContact O-N 3.39Å; W302-Q306 VanDerWaalsContact NE1-OE1 3.15Å; W302-Q306 WeakPolarHBondContact O-CB 3.27Å; W302-Q306 PolarHBondContact O-N 2.92Å; W302-I313 HydrophobicContact CH2-CD1 3.69Å; W302-I313 HydrophobicContact CH2-CG1 3.87Å; W302-I313 HydrophobicContact CH2-CG2 4.06Å; W302-I313 HydrophobicContact CZ2-CD1 3.96Å; W302-I313 HydrophobicContact CZ3-CD1 4.29Å; W302-I313 HydrophobicContact CZ3-CG1 4.22Å
303S80.2Confident76.9Confident68 Ų6861.3 Ų61.348%0.47632%0.317SS..Hα-helixtrans-60.1-44175.3-66.10000112.2G299 K300 T301 Q306 E307G299-S303 PolarHBondContact O-N 3.36Å; G299-S303 PolarHBondContact O-OG 3.03Å; K300-S303 PolarHBondContact O-N 3.4Å; T301-S303 VanDerWaalsContact C-N 3.34Å; T301-S303 PolarHBondContact O-N 3.32Å; S303-Q306 PolarHBondContact O-N 3.14Å; S303-E307 VanDerWaalsContact O-CB 3.32Å; S303-E307 WeakPolarHBondContact O-CB 3.44Å; S303-E307 PolarHBondContact O-N 2.82Å
304V82.4Confident77Confident26 Ų2666 Ų6616%0.15835%0.349CS..Hα-helixtrans-61.7-44.9175.8171.80000111.3A135 K300 T301 W302 Q306 E307 H308 Y309A135-V304 HydrophobicContact CB-CB 4.35Å; A135-V304 HydrophobicContact CB-CG1 3.94Å; K300-V304 WeakPolarHBondContact O-CG2 3.49Å; K300-V304 PolarHBondContact O-N 2.8Å; T301-V304 PolarHBondContact O-N 3.22Å; W302-V304 PolarHBondContact O-N 3.19Å; V304-Q306 VanDerWaalsContact C-N 3.33Å; V304-Q306 PolarHBondContact O-N 2.88Å; V304-E307 PolarHBondContact O-N 2.8Å; V304-H308 WeakPolarHBondContact O-CB 3.38Å; V304-H308 PolarHBondContact O-N 2.84Å; V304-Y309 HydrophobicContact CG1-CD2 4.34Å; V304-Y309 HydrophobicContact CG1-CE2 3.93Å
305I81.1Confident77Confident15 Ų1573.5 Ų73.58%0.07738%0.381CS..Hα-helixtrans-61.4-44.1176.6-67.3169.4000110.8A135 L297 T301 W302 E307 Y309 S310 L312 I313A135-I305 HydrophobicContact CB-CD1 4.25Å; A135-I305 HydrophobicContact CB-CG1 3.76Å; L297-I305 HydrophobicContact CD2-CD1 4.07Å; T301-I305 HydrophobicContact CG2-CD1 3.82Å; T301-I305 HydrophobicContact CG2-CG1 4.4Å; T301-I305 WeakPolarHBondContact O-CG1 3.18Å; T301-I305 PolarHBondContact O-N 3.12Å; W302-I305 PolarHBondContact O-N 3.39Å; I305-E307 PolarHBondContact O-N 2.87Å; I305-Y309 CarbonylContact O-C 3.46Å; I305-Y309 WeakPolarHBondContact O-CA 3.41Å; I305-Y309 PolarHBondContact O-N 2.84Å; I305-S310 PolarHBondContact O-N 3.25Å; I305-S310 VanDerWaalsContact O-N 3.16Å; I305-L312 HydrophobicContact CG2-CB 4.39Å; I305-I313 HydrophobicContact CG2-CD1 4.34Å; I305-I313 HydrophobicContact CG2-CG1 4.03Å
306Q81.7Confident76.3Confident114 Ų11476.2 Ų76.253%0.53340%0.401SS..Hα-helixtrans-66.3-39.4-179-166.7-174.7-4600112.2W302 S303 V304 I313W302-Q306 VanDerWaalsContact NE1-OE1 3.15Å; W302-Q306 WeakPolarHBondContact O-CB 3.27Å; W302-Q306 PolarHBondContact O-N 2.92Å; S303-Q306 PolarHBondContact O-N 3.14Å; V304-Q306 VanDerWaalsContact C-N 3.33Å; V304-Q306 PolarHBondContact O-N 2.88Å; Q306-I313 HydrophobicContact CB-CD1 4.22Å; Q306-I313 HydrophobicContact CG-CD1 4.23Å
307E84.2Confident75.2Confident150 Ų15079.9 Ų79.970%0.70143%0.426SS*.Hα-helixtrans-78.6-45-177.2-172.6170.1-178.800112.6S303 V304 I305S303-E307 VanDerWaalsContact O-CB 3.32Å; S303-E307 WeakPolarHBondContact O-CB 3.44Å; S303-E307 PolarHBondContact O-N 2.82Å; V304-E307 PolarHBondContact O-N 2.8Å; I305-E307 PolarHBondContact O-N 2.87Å
308H83.9Confident74Confident61 Ų6182.8 Ų82.828%0.28245%0.448SS..Hα-helixtrans-107.4-22.1-170.7-60-66.5000114.4P138 V304 W311P138-H308 VanDerWaalsContact CD-CG 3.47Å; P138-H308 HydrophobicContact CG-CB 4.31Å; V304-H308 WeakPolarHBondContact O-CB 3.38Å; V304-H308 PolarHBondContact O-N 2.84Å; H308-W311 WeakPolarHBondContact O-CH2 3.44Å; H308-W311 WeakPolarHBondContact O-CZ3 3.48Å
309Y83Confident72.7Confident8 Ų890.1 Ų90.13%0.03151%0.51CS..  trans-13139.5-171.7-49.5-64000112.2H136 P138 L184 V304 I305 W311 L312H136-Y309 VanDerWaalsContact O-CE2 3.3Å; H136-Y309 WeakPolarHBondContact O-CE2 3.21Å; H136-Y309 PolarHBondContact O-OH 3.21Å; P138-Y309 WeakPolarHBondContact CD-OH 3.17Å; L184-Y309 HydrophobicContact CB-CE1 4.5Å; L184-Y309 HydrophobicContact CD1-CE1 4.02Å; L184-Y309 HydrophobicContact CD2-CE1 4.18Å; L184-Y309 WeakPolarHBondContact CD2-OH 3.4Å; L184-Y309 HydrophobicContact CG-CE1 4.44Å; V304-Y309 HydrophobicContact CG1-CD2 4.34Å; V304-Y309 HydrophobicContact CG1-CE2 3.93Å; I305-Y309 CarbonylContact O-C 3.46Å; I305-Y309 WeakPolarHBondContact O-CA 3.41Å; I305-Y309 PolarHBondContact O-N 2.84Å; Y309-W311 AromaticContact CD1-CH2 3.57Å; Y309-W311 HydrophobicContact CD1-CH2 3.57Å; Y309-W311 AromaticContact CD1-CZ2 3.53Å; Y309-W311 HydrophobicContact CD1-CZ2 3.53Å; Y309-W311 HydrophobicContact CD1-CZ3 4.45Å; Y309-W311 HydrophobicContact CE1-CH2 4.29Å; Y309-W311 HydrophobicContact CE1-CZ2 4.37Å; Y309-W311 HydrophobicContact CG-CZ2 4.43Å; Y309-W311 PolarHBondContact O-N 2.8Å; Y309-L312 HydrophobicContact CG-CD1 4.29Å; Y309-L312 WeakPolarHBondContact O-CB 3.5Å; Y309-L312 PolarHBondContact O-N 3.47Å
310S78.3Confident72.7Confident66 Ų6692.1 Ų92.146%0.46251%0.509SS..G310 helixtrans-57.7-20.1-174.861.50000114.4I305 L312 I313I305-S310 PolarHBondContact O-N 3.25Å; I305-S310 VanDerWaalsContact O-N 3.16Å; S310-L312 VanDerWaalsContact C-N 3.29Å; S310-L312 PolarHBondContact O-N 3.49Å; S310-I313 PolarHBondContact O-N 2.82Å
311W77.9Confident72.6Confident142 Ų14290.9 Ų90.954%0.53851%0.51SS..G310 helixtrans-71.7-18.6173.864.384.8000114.1H308 Y309H308-W311 WeakPolarHBondContact O-CH2 3.44Å; H308-W311 WeakPolarHBondContact O-CZ3 3.48Å; Y309-W311 AromaticContact CD1-CH2 3.57Å; Y309-W311 HydrophobicContact CD1-CH2 3.57Å; Y309-W311 AromaticContact CD1-CZ2 3.53Å; Y309-W311 HydrophobicContact CD1-CZ2 3.53Å; Y309-W311 HydrophobicContact CD1-CZ3 4.45Å; Y309-W311 HydrophobicContact CE1-CH2 4.29Å; Y309-W311 HydrophobicContact CE1-CZ2 4.37Å; Y309-W311 HydrophobicContact CG-CZ2 4.43Å; Y309-W311 PolarHBondContact O-N 2.8Å
312L75.2Confident72.3Confident92 Ų9295.8 Ų95.848%0.48254%0.537SS..G310 helixtrans-75.7-16.6173.5-65.3178.3000112.1I305 Y309 S310 P314I305-L312 HydrophobicContact CG2-CB 4.39Å; Y309-L312 HydrophobicContact CG-CD1 4.29Å; Y309-L312 WeakPolarHBondContact O-CB 3.5Å; Y309-L312 PolarHBondContact O-N 3.47Å; S310-L312 VanDerWaalsContact C-N 3.29Å; S310-L312 PolarHBondContact O-N 3.49Å; L312-P314 WeakPolarHBondContact O-CD 3.06Å
313I75.3Confident71.8Confident44 Ų4494.9 Ų94.923%0.22654%0.544CS..SBendtrans-83.7120-179.2-58175.7000108.3W302 I305 Q306 S310 K315W302-I313 HydrophobicContact CH2-CD1 3.69Å; W302-I313 HydrophobicContact CH2-CG1 3.87Å; W302-I313 HydrophobicContact CH2-CG2 4.06Å; W302-I313 HydrophobicContact CZ2-CD1 3.96Å; W302-I313 HydrophobicContact CZ3-CD1 4.29Å; W302-I313 HydrophobicContact CZ3-CG1 4.22Å; I305-I313 HydrophobicContact CG2-CD1 4.34Å; I305-I313 HydrophobicContact CG2-CG1 4.03Å; Q306-I313 HydrophobicContact CB-CD1 4.22Å; Q306-I313 HydrophobicContact CG-CD1 4.23Å; S310-I313 PolarHBondContact O-N 2.82Å; I313-K315 PolarHBondContact O-N 3.48Å
314P66.7Low71.3Confident114 Ų11496.6 Ų96.674%0.7455%0.548SS*.  trans-57.9115176-21.231.8000109.9L312 V316L312-P314 WeakPolarHBondContact O-CD 3.06Å; P314-V316 PolarHBondContact O-N 2.75Å
315K70.2Confident70.6Confident183 Ų183101.3 Ų101.380%0.79657%0.574SS**  trans-76.5112.8172.1-66.1-176.2-177.2178.10107.4I313 S317I313-K315 PolarHBondContact O-N 3.48Å; K315-S317 PolarHBondContact O-N 3.15Å
316V58.1Low69.8Low141 Ų141107.5 Ų107.586%0.85561%0.609SS**  trans-66.3107.3169.4-167.30000106.2P314P314-V316 PolarHBondContact O-N 2.75Å
317S48.2Very low68.9Low97 Ų97107 Ų10768%0.67862%0.615SS**  trans-60.6132.7172.5-169.20000107.7K315 A319K315-S317 PolarHBondContact O-N 3.15Å; S317-A319 PolarHBondContact O-N 3.29Å
318P48.5Very low67.6Low120 Ų120103.4 Ų103.478%0.77961%0.608SS**  trans-58.3127.5169.724-29.7000107.9
319A45.9Very low66.1Low173 Ų173107.3 Ų107.3100%1.4364%0.638SS**  trans-72.20174.500000111.1S317S317-A319 PolarHBondContact O-N 3.29Å

Retrieved 319 of 319 residues in 795.8 ms (Link to these results)

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