A0A087WZ50_HUMAN Loading...

Signal peptide peptidase-like 2B

AlphaFold DB , UniProt , Accession A0A087WZ50, Species HUMAN (Homo sapiens, Human), Gene SPPL2B, Length 291 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
1M90.8Very high80.1Confident72 Ų7252.5 Ų52.536%0.35537%0.365SS..  0154.20-66.2-178-179.500109.8D15 Y16 I18 Y136 P138M1-D15 HydrophobicContact SD-CB 4.46Å; M1-Y16 CarbonylContact C-O 2.95Å; M1-Y16 VanDerWaalsContact CA-O 3.31Å; M1-Y16 WeakPolarHBondContact CA-O 3.2Å; M1-I18 WeakPolarHBondContact O-CD1 3.43Å; M1-Y136 HydrophobicContact CB-CD1 4.28Å; M1-Y136 HydrophobicContact CB-CE1 3.74Å; M1-Y136 HydrophobicContact CB-CE2 4.43Å; M1-Y136 PolarHBondContact N-O 3.46Å; M1-Y136 PolarHBondContact O-N 2.87Å; M1-Y136 HydrophobicContact SD-CE2 4.5Å; M1-P138 HydrophobicContact CE-CG 4.05Å; M1-P138 HydrophobicContact CG-CG 4.25Å; M1-P138 HydrophobicContact SD-CG 3.89Å
2V93.1Very high79.8Confident0 Ų063.8 Ų63.80%041%0.408CS..EExtended strand (participates in β ladder)trans-118.3116.3169.162.90000108.9V4 Y16 I18 L88 L115 A133 A134 L135V2-V4 HydrophobicContact CG1-CG2 4.48Å; V2-V4 HydrophobicContact CG2-CG2 4.15Å; V2-Y16 PolarHBondContact N-O 2.86Å; V2-Y16 PolarHBondContact O-N 2.92Å; V2-I18 HydrophobicContact CB-CD1 4.33Å; V2-I18 HydrophobicContact CB-CG2 4.02Å; V2-I18 HydrophobicContact CG1-CG2 3.57Å; V2-L88 HydrophobicContact CG2-CD1 4.33Å; V2-L115 HydrophobicContact CG1-CD1 4.33Å; V2-A133 HydrophobicContact CG2-CB 3.76Å; V2-A134 WeakPolarHBondContact CA-O 3.49Å; V2-L135 HydrophobicContact CG2-CG 4.43Å
3H92.9Very high80.2Confident24 Ų2460.8 Ų60.811%0.11140%0.396CS..EExtended strand (participates in β ladder)trans-86.6123.2175.4-169.772.5000108.9G13 D15 L31 F36 A133 A134 Y136H3-G13 VanDerWaalsContact CE1-C 3.42Å; H3-G13 PolarHBondContact CE1-O 3.14Å; H3-D15 VanDerWaalsContact CA-OD1 3.28Å; H3-D15 WeakPolarHBondContact CA-OD1 3.49Å; H3-D15 WeakPolarHBondContact CB-OD1 3.4Å; H3-D15 IonicContact CG-OD1 3.49Å; H3-D15 IonicContact ND1-OD1 3.36Å; H3-D15 PolarHBondContact ND1-OD1 3.44Å; H3-D15 IonicContact ND1-OD2 2.8Å; H3-L31 HydrophobicContact CB-CD1 3.53Å; H3-L31 HydrophobicContact CB-CD2 4.42Å; H3-F36 AromaticContact CD2-CE1 3.82Å; H3-F36 AromaticContact CD2-CZ 3.87Å; H3-A133 CarbonylContact O-C 3.51Å; H3-A133 WeakPolarHBondContact O-CA 3.31Å; H3-A134 PolarHBondContact N-O 3.32Å; H3-A134 PolarHBondContact O-N 2.53Å; H3-Y136 HydrophobicContact CB-CD1 4.44Å; H3-Y136 HydrophobicContact CB-CE1 4.02Å
4V92.6Very high80.9Confident0 Ų061.7 Ų61.70%039%0.391CS..EExtended strand (participates in β ladder)trans-117.3130.9-176.9-173.90000110.5V2 G13 K14 Y16 L39 I123 F127 V131 R132 A133V2-V4 HydrophobicContact CG1-CG2 4.48Å; V2-V4 HydrophobicContact CG2-CG2 4.15Å; V4-G13 CarbonylContact O-C 3.57Å; V4-G13 WeakPolarHBondContact O-CA 3.37Å; V4-K14 PolarHBondContact N-O 2.87Å; V4-K14 PolarHBondContact O-N 3.28Å; V4-Y16 HydrophobicContact CB-CD2 4.37Å; V4-Y16 HydrophobicContact CB-CE2 4.11Å; V4-Y16 HydrophobicContact CG2-CD2 3.87Å; V4-Y16 HydrophobicContact CG2-CE2 4.04Å; V4-L39 HydrophobicContact CG2-CD2 4.36Å; V4-I123 HydrophobicContact CG1-CG2 3.92Å; V4-I123 HydrophobicContact CG2-CD1 4.07Å; V4-I123 HydrophobicContact CG2-CG1 4.22Å; V4-F127 HydrophobicContact CB-CE2 4.44Å; V4-F127 HydrophobicContact CG1-CD2 4.06Å; V4-F127 HydrophobicContact CG1-CE2 4.44Å; V4-F127 HydrophobicContact CG1-CG 4.42Å; V4-F127 WeakPolarHBondContact O-CZ 3.07Å; V4-V131 HydrophobicContact CG1-CB 4.01Å; V4-V131 HydrophobicContact CG1-CG1 4.15Å; V4-R132 WeakPolarHBondContact CA-O 3.42Å; V4-A133 HydrophobicContact CG2-CB 4.23Å
5V91.4Very high81.7Confident36 Ų3662.1 Ų62.122%0.21839%0.389CS..EExtended strand (participates in β ladder)trans-127.3148.8177.2-65.20000110.6F36 R132V5-F36 HydrophobicContact CG1-CE1 4.27Å; V5-F36 HydrophobicContact CG2-CD1 3.93Å; V5-F36 HydrophobicContact CG2-CE1 3.87Å; V5-R132 HydrophobicContact CG2-CB 3.92Å; V5-R132 PolarHBondContact N-O 3.3Å; V5-R132 PolarHBondContact O-N 3.26Å
6S88.4Confident82.4Confident29 Ų2958.6 Ų58.620%0.20337%0.366CS..EExtended strand (participates in β ladder)trans-71139.6171.8177.70000110.8A8S6-A8 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact OG-N 3Å
7Q79.1Confident83Confident99 Ų9960.3 Ų60.346%0.46338%0.379SS..THydrogen-bonded Turntrans-67.1-26.6176.2-173.5170.79.800112.8G9 T130Q7-G9 VanDerWaalsContact C-N 3.29Å; Q7-G9 PolarHBondContact O-N 3.16Å; Q7-T130 VanDerWaalsContact CB-O 3.3Å; Q7-T130 WeakPolarHBondContact CB-O 3.45Å; Q7-T130 PolarHBondContact N-O 2.97Å
8A68.9Low83.5Confident91 Ų9158.1 Ų58.175%0.75236%0.364SS*.THydrogen-bonded Turntrans-831.1-174.300000114.2S6S6-A8 PolarHBondContact O-N 3.36Å; S6-A8 PolarHBondContact OG-N 3Å
9G63.8Low84Confident72 Ų7258.2 Ų58.274%0.74236%0.361SS*.  trans70.583.8-170.900000110.3Q7Q7-G9 VanDerWaalsContact C-N 3.29Å; Q7-G9 PolarHBondContact O-N 3.16Å
10G61.7Low84.3Confident44 Ų4458.5 Ų58.545%0.45436%0.356SS..  trans-128.4-169.3178.400000111.1
11P58.2Low84.5Confident110 Ų11056.8 Ų56.871%0.71434%0.344SS*.SBendtrans-53156.7-170.224.3-34.4000112.8G13P11-G13 PolarHBondContact O-N 3.26Å
12E76.8Confident84.2Confident188 Ų18856.4 Ų56.488%0.87935%0.347SS*.  trans-39.2133.7-177.3-68.2-166.9148.300112.2
13G84.4Confident83.6Confident25 Ų2562.6 Ų62.626%0.25838%0.376SS..  trans-58.2151.9-17800000112.1H3 V4 P11H3-G13 VanDerWaalsContact CE1-C 3.42Å; H3-G13 PolarHBondContact CE1-O 3.14Å; V4-G13 CarbonylContact O-C 3.57Å; V4-G13 WeakPolarHBondContact O-CA 3.37Å; P11-G13 PolarHBondContact O-N 3.26Å
14K91.3Very high83Confident74 Ų7461.9 Ų61.932%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-113.3138.6-180-177.9173.9169.6-170.90110.6V4 Y16 D122 F127V4-K14 PolarHBondContact N-O 2.87Å; V4-K14 PolarHBondContact O-N 3.28Å; K14-Y16 HydrophobicContact CB-CE2 3.97Å; K14-Y16 HydrophobicContact CD-CE1 4.16Å; K14-Y16 HydrophobicContact CD-CE2 4.19Å; K14-Y16 HydrophobicContact CG-CD2 4.49Å; K14-Y16 HydrophobicContact CG-CE2 3.93Å; K14-D122 IonicContact NZ-OD2 2.69Å; K14-D122 PolarHBondContact NZ-OD2 3.29Å; K14-F127 HydrophobicContact CB-CE2 3.94Å; K14-F127 HydrophobicContact CB-CZ 3.71Å
15D92.5Very high82.4Confident68 Ų6862.7 Ų62.736%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-87.6136.2171.9-69.7-42.4000111.5M1 H3 Y136M1-D15 HydrophobicContact SD-CB 4.46Å; H3-D15 VanDerWaalsContact CA-OD1 3.28Å; H3-D15 WeakPolarHBondContact CA-OD1 3.49Å; H3-D15 WeakPolarHBondContact CB-OD1 3.4Å; H3-D15 IonicContact CG-OD1 3.49Å; H3-D15 IonicContact ND1-OD1 3.36Å; H3-D15 PolarHBondContact ND1-OD1 3.44Å; H3-D15 IonicContact ND1-OD2 2.8Å; D15-Y136 VanDerWaalsContact CG-OH 3.23Å; D15-Y136 WeakPolarHBondContact OD1-CE1 3.2Å; D15-Y136 PolarHBondContact OD1-OH 3.33Å; D15-Y136 PolarHBondContact OD2-OH 2.89Å
16Y93.1Very high82.1Confident6 Ų669.2 Ų69.22%0.02441%0.407CS..EExtended strand (participates in β ladder)trans-119.4144.8172.5-60.6-94.8000110.6M1 V2 V4 K14 D119 D122 I123 F127M1-Y16 CarbonylContact C-O 2.95Å; M1-Y16 VanDerWaalsContact CA-O 3.31Å; M1-Y16 WeakPolarHBondContact CA-O 3.2Å; V2-Y16 PolarHBondContact N-O 2.86Å; V2-Y16 PolarHBondContact O-N 2.92Å; V4-Y16 HydrophobicContact CB-CD2 4.37Å; V4-Y16 HydrophobicContact CB-CE2 4.11Å; V4-Y16 HydrophobicContact CG2-CD2 3.87Å; V4-Y16 HydrophobicContact CG2-CE2 4.04Å; K14-Y16 HydrophobicContact CB-CE2 3.97Å; K14-Y16 HydrophobicContact CD-CE1 4.16Å; K14-Y16 HydrophobicContact CD-CE2 4.19Å; K14-Y16 HydrophobicContact CG-CD2 4.49Å; K14-Y16 HydrophobicContact CG-CE2 3.93Å; Y16-D119 HydrophobicContact CD1-CB 3.75Å; Y16-D119 HydrophobicContact CE1-CB 4.38Å; Y16-D122 HydrophobicContact CE1-CB 4.13Å; Y16-D122 WeakPolarHBondContact CE1-OD2 3.49Å; Y16-D122 PolarHBondContact OH-OD2 2.87Å; Y16-I123 HydrophobicContact CD1-CD1 4.42Å; Y16-I123 HydrophobicContact CD1-CG1 4.21Å; Y16-I123 HydrophobicContact CD2-CD1 3.93Å; Y16-I123 HydrophobicContact CD2-CG1 3.75Å; Y16-I123 HydrophobicContact CE1-CD1 4.49Å; Y16-I123 HydrophobicContact CE1-CG1 3.81Å; Y16-I123 HydrophobicContact CE2-CD1 4.04Å; Y16-I123 HydrophobicContact CE2-CG1 3.32Å; Y16-I123 HydrophobicContact CG-CD1 4.12Å; Y16-I123 HydrophobicContact CG-CG1 4.17Å; Y16-F127 HydrophobicContact CE2-CE2 4.25Å
17C92.1Very high82.2Confident87 Ų8768.6 Ų68.659%0.58840%0.402SS*.  trans-72.7133.3176.9-71.80000110L115C17-L115 WeakPolarHBondContact O-CD1 3.25Å
18I92.9Very high82.7Confident20 Ų2066 Ų6610%0.10339%0.393CS..  trans-132.8146.2175.355.4167.1000108.7M1 V2 L88 A113 L114 L115 L135M1-I18 WeakPolarHBondContact O-CD1 3.43Å; V2-I18 HydrophobicContact CB-CD1 4.33Å; V2-I18 HydrophobicContact CB-CG2 4.02Å; V2-I18 HydrophobicContact CG1-CG2 3.57Å; I18-L88 HydrophobicContact CG2-CD2 4.34Å; I18-A113 HydrophobicContact CB-CB 3.92Å; I18-A113 HydrophobicContact CD1-CB 3.7Å; I18-A113 HydrophobicContact CG1-CB 4.22Å; I18-L114 VanDerWaalsContact CA-O 3.24Å; I18-L114 WeakPolarHBondContact CA-O 3.22Å; I18-L114 WeakPolarHBondContact CB-O 3.44Å; I18-L115 HydrophobicContact CG2-CB 4.4Å; I18-L115 HydrophobicContact CG2-CD1 3.79Å; I18-L135 HydrophobicContact CD1-CD2 3.82Å; I18-L135 HydrophobicContact CD1-CG 4.24Å
19L91.5Very high83.6Confident60 Ų6066 Ų6631%0.31438%0.377SS..EExtended strand (participates in β ladder)trans-106.3116.8176.6-166.365.7000109L95 V96 P97 A113 L114L19-L95 HydrophobicContact CB-CB 4.2Å; L19-L95 VanDerWaalsContact CD2-C 3.43Å; L19-L95 HydrophobicContact CD2-CB 3.72Å; L19-L95 WeakPolarHBondContact CD2-O 3.31Å; L19-V96 VanDerWaalsContact CD2-C 3.42Å; L19-P97 HydrophobicContact CD2-CB 4.36Å; L19-P97 VanDerWaalsContact CD2-N 3.33Å; L19-P97 HydrophobicContact CG-CB 4.27Å; L19-A113 CarbonylContact O-C 3.58Å; L19-A113 VanDerWaalsContact O-CA 3.28Å; L19-A113 WeakPolarHBondContact O-CA 3.19Å; L19-L114 PolarHBondContact N-O 3.02Å; L19-L114 PolarHBondContact O-N 3.22Å
20Y90.3Very high84.6Confident65 Ų6566 Ų6626%0.25536%0.36SS..EExtended strand (participates in β ladder)trans-128.1161.7-176.381.6-76.1000110.2P22 L27 V112 A137Y20-P22 HydrophobicContact CE2-CB 3.81Å; Y20-L27 HydrophobicContact CD1-CD1 4.11Å; Y20-L27 HydrophobicContact CD2-CD1 3.73Å; Y20-L27 HydrophobicContact CD2-CG 4.34Å; Y20-L27 HydrophobicContact CE1-CD1 4.32Å; Y20-L27 HydrophobicContact CE2-CD1 3.95Å; Y20-L27 HydrophobicContact CE2-CG 4.35Å; Y20-L27 HydrophobicContact CG-CD1 3.82Å; Y20-V112 WeakPolarHBondContact CB-O 3.15Å; Y20-A137 HydrophobicContact CE1-CB 3.88Å; Y20-A137 WeakPolarHBondContact OH-CB 3.44Å
21N88.3Confident85.8Confident22 Ų2266.4 Ų66.412%0.11835%0.352CS..  trans-105.5114.5173.1-173.7-12.7000109.6Q23 W24 P98N21-Q23 PolarHBondContact O-N 3.23Å; N21-Q23 WeakPolarHBondContact OD1-CB 3.36Å; N21-Q23 PolarHBondContact OD1-N 3.23Å; N21-W24 HydrophobicContact CB-CG 4.14Å; N21-W24 PolarHBondContact ND2-NE1 2.92Å; N21-W24 PolarHBondContact O-N 3.36Å; N21-W24 VanDerWaalsContact O-N 3.15Å; N21-P98 HydrophobicContact CB-CG 3.93Å; N21-P98 VanDerWaalsContact CB-O 3.24Å; N21-P98 WeakPolarHBondContact CB-O 3.45Å; N21-P98 PolarHBondContact ND2-O 3.28Å
22P84.8Confident87.1Confident64 Ų6466.4 Ų66.442%0.41635%0.354SS..THydrogen-bonded Turntrans-66.6-16-17927.7-35.1000113.7Y20 W24Y20-P22 HydrophobicContact CE2-CB 3.81Å; P22-W24 VanDerWaalsContact C-N 3.34Å
23Q80.6Confident87.5Confident130 Ų13064.6 Ų64.661%0.60734%0.344SS*.THydrogen-bonded Turntrans-75.4-21.7175.4-61.7-172.9-3600113.1N21 Y105N21-Q23 PolarHBondContact O-N 3.23Å; N21-Q23 WeakPolarHBondContact OD1-CB 3.36Å; N21-Q23 PolarHBondContact OD1-N 3.23Å; Q23-Y105 HydrophobicContact CB-CD2 4.39Å; Q23-Y105 HydrophobicContact CB-CE2 4.36Å
24W79.4Confident87.6Confident9 Ų963.9 Ų63.93%0.03434%0.335CS..THydrogen-bonded Turntrans-86-41.3-178.1-71.725.5000111.5N21 P22 F72 V76 P98 G99 Y105 I108 V112N21-W24 HydrophobicContact CB-CG 4.14Å; N21-W24 PolarHBondContact ND2-NE1 2.92Å; N21-W24 PolarHBondContact O-N 3.36Å; N21-W24 VanDerWaalsContact O-N 3.15Å; P22-W24 VanDerWaalsContact C-N 3.34Å; W24-F72 HydrophobicContact CH2-CB 3.72Å; W24-F72 HydrophobicContact CZ3-CB 4.03Å; W24-V76 HydrophobicContact CZ3-CG2 4.1Å; W24-P98 HydrophobicContact CE3-CB 4.28Å; W24-P98 HydrophobicContact CH2-CB 4.21Å; W24-P98 HydrophobicContact CZ2-CB 4.5Å; W24-P98 HydrophobicContact CZ3-CB 4.06Å; W24-G99 VanDerWaalsContact CZ2-C 3.45Å; W24-G99 WeakPolarHBondContact CZ2-O 3.4Å; W24-Y105 AromaticContact CD1-CD1 3.43Å; W24-Y105 VanDerWaalsContact CD1-CD1 3.43Å; W24-Y105 AromaticContact CD1-CE1 3.45Å; W24-Y105 VanDerWaalsContact CD1-CE1 3.45Å; W24-Y105 AromaticContact CE2-CD1 3.95Å; W24-Y105 AromaticContact CE2-CE1 3.66Å; W24-Y105 HydrophobicContact CG-CD1 4.32Å; W24-Y105 HydrophobicContact CZ2-CE1 4.13Å; W24-Y105 AromaticContact NE1-CD1 3.23Å; W24-Y105 AromaticContact NE1-CE1 2.82Å; W24-Y105 AromaticContact NE1-CZ 3.57Å; W24-I108 HydrophobicContact CB-CG2 4.45Å; W24-I108 HydrophobicContact CD2-CD1 3.68Å; W24-I108 HydrophobicContact CE3-CD1 3.51Å; W24-I108 HydrophobicContact CG-CD1 4.19Å; W24-I108 HydrophobicContact CH2-CD1 4.17Å; W24-I108 HydrophobicContact CZ2-CD1 4.34Å; W24-I108 HydrophobicContact CZ3-CD1 3.78Å; W24-V112 HydrophobicContact CE3-CB 4.06Å; W24-V112 HydrophobicContact CE3-CG1 4.44Å; W24-V112 HydrophobicContact CE3-CG2 3.97Å; W24-V112 HydrophobicContact CZ3-CG1 4.42Å; W24-V112 HydrophobicContact CZ3-CG2 4.44Å
25A82Confident87.4Confident17 Ų1764 Ų6414%0.1435%0.345CS..  trans-158.4138.8177.600000110.4P111A25-P111 HydrophobicContact CB-CB 4.09Å
26H84.9Confident87.3Confident174 Ų17464.1 Ų64.181%0.80634%0.343SS*.PPolyproline II helixtrans-78.6128.1174-69.7-62.4000110.9
27L88.9Confident87.2Confident16 Ų1665.1 Ų65.18%0.08435%0.348CS..PPolyproline II helixtrans-96.9143.2169.4-72.8173.5000109.7Y20 P111 L135 A137Y20-L27 HydrophobicContact CD1-CD1 4.11Å; Y20-L27 HydrophobicContact CD2-CD1 3.73Å; Y20-L27 HydrophobicContact CD2-CG 4.34Å; Y20-L27 HydrophobicContact CE1-CD1 4.32Å; Y20-L27 HydrophobicContact CE2-CD1 3.95Å; Y20-L27 HydrophobicContact CE2-CG 4.35Å; Y20-L27 HydrophobicContact CG-CD1 3.82Å; L27-P111 HydrophobicContact CD2-CB 3.6Å; L27-P111 HydrophobicContact CD2-CG 4.14Å; L27-P111 HydrophobicContact CG-CB 4.33Å; L27-L135 HydrophobicContact CD1-CB 4.3Å; L27-L135 HydrophobicContact CD2-CB 3.47Å; L27-L135 VanDerWaalsContact CD2-CB 3.47Å; L27-L135 HydrophobicContact CD2-CD2 4.38Å; L27-A137 HydrophobicContact CB-CB 3.85Å; L27-A137 HydrophobicContact CD1-CB 4.45Å
28P89.7Confident87.2Confident43 Ų4364 Ų6428%0.27933%0.334SS..PPolyproline II helixtrans-64.4147.4173.827.8-33.2000110.3K33 A34 Y136 A137P28-K33 HydrophobicContact CB-CB 4.06Å; P28-A34 HydrophobicContact CG-CB 3.78Å; P28-Y136 CarbonylContact O-C 3.56Å; P28-Y136 VanDerWaalsContact O-CA 3.25Å; P28-Y136 WeakPolarHBondContact O-CA 3.47Å; P28-Y136 WeakPolarHBondContact O-CB 3.46Å; P28-A137 PolarHBondContact O-N 3.26Å
29H87.7Confident87.2Confident91 Ų9163 Ų6342%0.42133%0.33SS..SBendtrans-77.8-33.3178.1-67.7-59.7000113.2A137 K139H29-A137 WeakPolarHBondContact CA-O 3.49Å; H29-A137 PolarHBondContact ND1-O 2.9Å; H29-K139 HydrophobicContact CB-CG 4.49Å
30D86.2Confident87.2Confident73 Ų7365.4 Ų65.439%0.3934%0.335SS..SBendtrans-101.2136.9-176.4-51.9-51000110.3S32 K33 A34D30-S32 PolarHBondContact O-N 2.8Å; D30-K33 HydrophobicContact CB-CD 4.3Å; D30-K33 HydrophobicContact CB-CG 4.44Å; D30-K33 PolarHBondContact O-N 3.41Å; D30-K33 VanDerWaalsContact O-N 3.17Å; D30-K33 WeakPolarHBondContact OD2-CE 3.22Å; D30-K33 IonicContact OD2-NZ 3.89Å; D30-K33 PolarHBondContact OD2-NZ 3.43Å; D30-A34 PolarHBondContact O-N 3.38Å
31L86.6Confident87.2Confident52 Ų5265.4 Ų65.427%0.27234%0.339SS..G310 helixtrans-59.7-32.9175-177.664.4000112.2H3 K33 A34 F36 A134 Y136H3-L31 HydrophobicContact CB-CD1 3.53Å; H3-L31 HydrophobicContact CB-CD2 4.42Å; L31-K33 PolarHBondContact O-N 3.47Å; L31-A34 WeakPolarHBondContact O-CB 3.44Å; L31-A34 PolarHBondContact O-N 3.08Å; L31-A34 VanDerWaalsContact O-N 3.09Å; L31-F36 HydrophobicContact CD1-CZ 4.11Å; L31-F36 HydrophobicContact CG-CZ 4.46Å; L31-A134 HydrophobicContact CD1-CB 4.02Å; L31-Y136 HydrophobicContact CD1-CD1 3.86Å; L31-Y136 HydrophobicContact CD1-CE1 4.07Å
32S84.5Confident87.3Confident110 Ų11067.5 Ų67.577%0.76935%0.345SS*.G310 helixtrans-64.7-24.6179.357.80000113.9D30D30-S32 PolarHBondContact O-N 2.8Å
33K86.3Confident87.6Confident150 Ų15066.1 Ų66.165%0.65234%0.335SS*.G310 helixtrans-92.9-10.1176.9-66.2171.5-175.81540112.3P28 D30 L31P28-K33 HydrophobicContact CB-CB 4.06Å; D30-K33 HydrophobicContact CB-CD 4.3Å; D30-K33 HydrophobicContact CB-CG 4.44Å; D30-K33 PolarHBondContact O-N 3.41Å; D30-K33 VanDerWaalsContact O-N 3.17Å; D30-K33 WeakPolarHBondContact OD2-CE 3.22Å; D30-K33 IonicContact OD2-NZ 3.89Å; D30-K33 PolarHBondContact OD2-NZ 3.43Å; L31-K33 PolarHBondContact O-N 3.47Å
34A86.6Confident87.9Confident10 Ų1065.2 Ų65.28%0.08335%0.35CS..SBendtrans-82.2131.3-178.700000110.7P28 D30 L31 A134P28-A34 HydrophobicContact CG-CB 3.78Å; D30-A34 PolarHBondContact O-N 3.38Å; L31-A34 WeakPolarHBondContact O-CB 3.44Å; L31-A34 PolarHBondContact O-N 3.08Å; L31-A34 VanDerWaalsContact O-N 3.09Å; A34-A134 HydrophobicContact CB-CB 3.83Å
35S86.5Confident88.2Confident76 Ų7665.8 Ų65.853%0.53136%0.356SS..  trans-79.1124.9179.458.20000111.3L37S35-L37 PolarHBondContact O-N 2.74Å
36F89.5Confident88.5Confident71 Ų7168.3 Ų68.331%0.31137%0.367SS..  trans-78.9104.1176.1-79.5-91.7000111.8H3 V5 L31 R132 A134H3-F36 AromaticContact CD2-CE1 3.82Å; H3-F36 AromaticContact CD2-CZ 3.87Å; V5-F36 HydrophobicContact CG1-CE1 4.27Å; V5-F36 HydrophobicContact CG2-CD1 3.93Å; V5-F36 HydrophobicContact CG2-CE1 3.87Å; L31-F36 HydrophobicContact CD1-CZ 4.11Å; L31-F36 HydrophobicContact CG-CZ 4.46Å; F36-R132 HydrophobicContact CD1-CB 4.45Å; F36-R132 PolarHBondContact O-NH2 3.23Å; F36-A134 HydrophobicContact CD1-CB 3.97Å; F36-A134 HydrophobicContact CD2-CB 4.18Å; F36-A134 HydrophobicContact CE1-CB 3.93Å; F36-A134 HydrophobicContact CE2-CB 4.13Å; F36-A134 HydrophobicContact CG-CB 4.11Å; F36-A134 HydrophobicContact CZ-CB 4.02Å
37L91.9Very high88.8Confident27 Ų2760.1 Ų60.114%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-106.4157.1-177.9-64.7164000110.7S35 L39 I62 R85 R132 A133S35-L37 PolarHBondContact O-N 2.74Å; L37-L39 PolarHBondContact O-N 2.94Å; L37-I62 HydrophobicContact CB-CD1 3.67Å; L37-I62 HydrophobicContact CB-CG1 3.89Å; L37-I62 HydrophobicContact CD1-CD1 3.95Å; L37-I62 HydrophobicContact CD1-CG1 3.95Å; L37-I62 HydrophobicContact CG-CD1 4.43Å; L37-R85 HydrophobicContact CD1-CB 3.51Å; L37-R85 HydrophobicContact CD1-CG 4.48Å; L37-R85 HydrophobicContact CD2-CB 4.35Å; L37-R132 CarbonylContact O-C 3.57Å; L37-R132 VanDerWaalsContact O-CA 3.23Å; L37-R132 WeakPolarHBondContact O-CA 3.43Å; L37-A133 PolarHBondContact N-O 3.15Å; L37-A133 PolarHBondContact O-N 3.41Å
38Q91.9Very high88.9Confident63 Ų6361.2 Ų61.229%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-72.2125.2178-168.7176.520.100109.6Q61 I62Q38-Q61 HydrophobicContact CB-CG 4.26Å; Q38-Q61 WeakPolarHBondContact O-CA 3.38Å; Q38-I62 PolarHBondContact O-N 2.83Å
39L92.7Very high88.8Confident1 Ų161.6 Ų61.61%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-97.5125.1-179.5-177.975.5000108.6V4 L37 I62 L64 L88 I123 V131 A133V4-L39 HydrophobicContact CG2-CD2 4.36Å; L37-L39 PolarHBondContact O-N 2.94Å; L39-I62 WeakPolarHBondContact CA-O 3.41Å; L39-I62 HydrophobicContact CD1-CB 3.92Å; L39-I62 HydrophobicContact CD1-CG2 3.73Å; L39-L64 HydrophobicContact CD1-CD1 3.32Å; L39-L64 HydrophobicContact CD1-CG 4.2Å; L39-L64 HydrophobicContact CD2-CD1 3.89Å; L39-L64 HydrophobicContact CG-CD1 3.37Å; L39-L88 HydrophobicContact CD1-CD1 3.78Å; L39-I123 HydrophobicContact CD2-CG2 4.32Å; L39-V131 HydrophobicContact CB-CG2 3.88Å; L39-V131 HydrophobicContact CD2-CG2 4Å; L39-V131 HydrophobicContact CG-CG2 4.2Å; L39-V131 PolarHBondContact N-O 3.25Å; L39-V131 WeakPolarHBondContact O-CG2 3.34Å; L39-A133 HydrophobicContact CB-CB 3.79Å; L39-A133 HydrophobicContact CD1-CB 4.11Å; L39-A133 HydrophobicContact CD2-CB 3.88Å; L39-A133 HydrophobicContact CG-CB 4.13Å
40R90.8Very high88.7Confident110 Ų11060.8 Ų60.842%0.41535%0.35SS..EExtended strand (participates in β ladder)trans-128.9130.4-171.7-150.1175.3-179.7-179.7-7.9112.6W42 I62 L64R40-W42 HydrophobicContact CB-CE3 4.14Å; R40-W42 HydrophobicContact CB-CZ3 4.38Å; R40-W42 HydrophobicContact CG-CE3 3.64Å; R40-W42 HydrophobicContact CG-CH2 4.44Å; R40-W42 HydrophobicContact CG-CZ3 3.41Å; R40-W42 VanDerWaalsContact CG-CZ3 3.41Å; R40-W42 VanDerWaalsContact CZ-CH2 3.41Å; R40-W42 VanDerWaalsContact NE-CH2 3.33Å; R40-W42 PolarHBondContact O-N 2.88Å; R40-I62 PolarHBondContact N-O 3.47Å; R40-L64 WeakPolarHBondContact O-CD1 3.29Å; R40-L64 PolarHBondContact O-N 3.18Å
41N91.7Very high88.6Confident64 Ų6461.9 Ų61.934%0.34237%0.369SS..EExtended strand (participates in β ladder)trans-75.6105.1-179.9-1741.1000111.8T43 M120 F124N41-T43 WeakPolarHBondContact OD1-CB 3.33Å; N41-T43 WeakPolarHBondContact OD1-CG2 3.46Å; N41-T43 PolarHBondContact OD1-N 3.45Å; N41-T43 PolarHBondContact OD1-OG1 3.02Å; N41-M120 VanDerWaalsContact CG-CE 3.48Å; N41-M120 WeakPolarHBondContact ND2-CE 3.37Å; N41-M120 VanDerWaalsContact OD1-CE 3.31Å; N41-M120 WeakPolarHBondContact OD1-CE 3.39Å; N41-F124 HydrophobicContact CB-CD2 4.39Å; N41-F124 HydrophobicContact CB-CE1 3.98Å; N41-F124 HydrophobicContact CB-CE2 3.71Å; N41-F124 HydrophobicContact CB-CZ 3.51Å
42W90.6Very high88.5Confident67 Ų6761.9 Ų61.925%0.25437%0.369SS..  trans-115.421.5175.9-111.4-115.3000111.9R40 A44 S45 P54 F58 P63 L64 V65R40-W42 HydrophobicContact CB-CE3 4.14Å; R40-W42 HydrophobicContact CB-CZ3 4.38Å; R40-W42 HydrophobicContact CG-CE3 3.64Å; R40-W42 HydrophobicContact CG-CH2 4.44Å; R40-W42 HydrophobicContact CG-CZ3 3.41Å; R40-W42 VanDerWaalsContact CG-CZ3 3.41Å; R40-W42 VanDerWaalsContact CZ-CH2 3.41Å; R40-W42 VanDerWaalsContact NE-CH2 3.33Å; R40-W42 PolarHBondContact O-N 2.88Å; W42-A44 PolarHBondContact O-N 3.2Å; W42-A44 VanDerWaalsContact O-N 3.08Å; W42-S45 PolarHBondContact O-N 3.29Å; W42-P54 HydrophobicContact CZ2-CB 4.31Å; W42-F58 AromaticContact CD1-CE1 3.66Å; W42-F58 AromaticContact CD1-CZ 3.68Å; W42-F58 HydrophobicContact CD2-CE1 4.17Å; W42-F58 AromaticContact CG-CE1 3.92Å; W42-F58 HydrophobicContact CG-CE1 3.92Å; W42-F58 HydrophobicContact CG-CZ 4.25Å; W42-F58 AromaticContact NE1-CE1 3.73Å; W42-F58 AromaticContact NE1-CZ 3.98Å; W42-P63 HydrophobicContact CB-CB 4.4Å; W42-L64 CarbonylContact C-O 3.55Å; W42-L64 WeakPolarHBondContact CA-O 3.03Å; W42-L64 VanDerWaalsContact CB-O 3.23Å; W42-L64 WeakPolarHBondContact CB-O 3.22Å; W42-L64 PolarHBondContact N-O 2.86Å; W42-V65 HydrophobicContact CB-CG1 4.37Å
43T89.8Confident88.6Confident34 Ų3459.1 Ų59.121%0.20935%0.345CS..THydrogen-bonded Turntrans-67.1-10.9-174.555.70000114.7N41 S45 L64 A66 V90 M120N41-T43 WeakPolarHBondContact OD1-CB 3.33Å; N41-T43 WeakPolarHBondContact OD1-CG2 3.46Å; N41-T43 PolarHBondContact OD1-N 3.45Å; N41-T43 PolarHBondContact OD1-OG1 3.02Å; T43-S45 PolarHBondContact O-N 2.99Å; T43-L64 HydrophobicContact CG2-CB 4.11Å; T43-L64 PolarHBondContact N-O 3.27Å; T43-A66 WeakPolarHBondContact O-CB 3.33Å; T43-V90 HydrophobicContact CG2-CB 4.14Å; T43-V90 HydrophobicContact CG2-CG2 3.74Å; T43-M120 HydrophobicContact CG2-CE 3.59Å; T43-M120 VanDerWaalsContact OG1-CE 3.28Å; T43-M120 WeakPolarHBondContact OG1-CE 3.44Å
44A87Confident88.6Confident112 Ų11253.6 Ų53.693%0.92633%0.325SS*.THydrogen-bonded Turntrans-68-22.9170.900000112.7W42W42-A44 PolarHBondContact O-N 3.2Å; W42-A44 VanDerWaalsContact O-N 3.08Å
45S87.2Confident88.3Confident21 Ų2158.6 Ų58.615%0.14737%0.366CS..  trans-107.1149.5174.8177.70000111.4W42 T43 L47 D52 A66W42-S45 PolarHBondContact O-N 3.29Å; T43-S45 PolarHBondContact O-N 2.99Å; S45-L47 PolarHBondContact OG-N 3.39Å; S45-D52 WeakPolarHBondContact OG-CB 3.36Å; S45-D52 PolarHBondContact OG-OD1 2.9Å; S45-A66 PolarHBondContact O-N 2.04Å
46L88.4Confident88.1Confident70 Ų7066 Ų6637%0.36638%0.383SS..  trans-85.3-14.1171.6-59.3176.8000111.9C48 A66 K75L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 3.1Å; L46-A66 HydrophobicContact CD2-CB 3.99Å; L46-K75 PolarHBondContact O-NZ 2.94Å
47L90.5Very high87.9Confident2 Ų263.6 Ų63.61%0.0138%0.378CS..  trans50.650.6-175.7-164.970.1000112.4S45 D52 L53 F58 V65 K75 L78 A79 L87S45-L47 PolarHBondContact OG-N 3.39Å; L47-D52 HydrophobicContact CD1-CB 4.24Å; L47-L53 HydrophobicContact CD1-CD2 3.65Å; L47-L53 HydrophobicContact CD1-CG 4.35Å; L47-F58 HydrophobicContact CD1-CE2 4.03Å; L47-F58 HydrophobicContact CD1-CZ 4.39Å; L47-F58 HydrophobicContact CD2-CE2 4.26Å; L47-V65 HydrophobicContact CB-CB 4.32Å; L47-V65 HydrophobicContact CB-CG1 3.91Å; L47-V65 HydrophobicContact CD2-CG1 3.91Å; L47-V65 HydrophobicContact CG-CG1 4.49Å; L47-K75 WeakPolarHBondContact O-CG 3.37Å; L47-L78 HydrophobicContact CD1-CB 4.49Å; L47-L78 HydrophobicContact CG-CB 4.31Å; L47-A79 HydrophobicContact CD2-CB 4Å; L47-L87 HydrophobicContact CD2-CD1 4.32Å
48C90Very high87.7Confident39 Ų3962.4 Ų62.426%0.26437%0.371SS..  trans-104.9-12178.8-62.90000112.2L46 D52 C70L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 3.1Å; C48-D52 PolarHBondContact N-OD2 3.03Å; C48-D52 VanDerWaalsContact N-OD2 3.1Å; C48-C70 WeakPolarHBondContact CA-SG 3.49Å; C48-C70 HydrophobicContact CB-CB 3.6Å; C48-C70 WeakPolarHBondContact CB-SG 3.47Å; C48-C70 WeakPolarHBondContact SG-CB 3.15Å; C48-C70 CovalentContact SG-SG 2.04Å; C48-C70 PolarHBondContact SG-SG 2.89Å
49S88.9Confident87.5Confident51 Ų5163 Ų6336%0.35738%0.383SS..SBendtrans-137.1162.4-178.470.70000111.8A51 D52S49-A51 PolarHBondContact O-N 3.5Å; S49-D52 PolarHBondContact N-OD2 3.46Å; S49-D52 WeakPolarHBondContact O-CB 3.12Å; S49-D52 PolarHBondContact O-N 3.02Å; S49-D52 VanDerWaalsContact O-N 3.16Å; S49-D52 PolarHBondContact OG-OD2 3.42Å
50A85.4Confident87.1Confident73 Ų7368.2 Ų68.260%0.60341%0.411SS*.G310 helixtrans-64.4-23174.700000113D52 L53A50-D52 PolarHBondContact O-N 3.02Å; A50-L53 HydrophobicContact CB-CD1 4.43Å; A50-L53 WeakPolarHBondContact O-CB 3.23Å; A50-L53 PolarHBondContact O-N 3.44Å
51A84.4Confident87.2Confident96 Ų9664.3 Ų64.379%0.79340%0.397SS*.G310 helixtrans-68.9-21.5176.600000112.9S49 L53S49-A51 PolarHBondContact O-N 3.5Å; A51-L53 PolarHBondContact O-N 2.58Å
52D83.9Confident87.3Confident52 Ų5261.3 Ų61.328%0.27838%0.381SS..G310 helixtrans-77-9.5176.4-69.2-55.3000113.2S45 L47 C48 S49 A50S45-D52 WeakPolarHBondContact OG-CB 3.36Å; S45-D52 PolarHBondContact OG-OD1 2.9Å; L47-D52 HydrophobicContact CD1-CB 4.24Å; C48-D52 PolarHBondContact N-OD2 3.03Å; C48-D52 VanDerWaalsContact N-OD2 3.1Å; S49-D52 PolarHBondContact N-OD2 3.46Å; S49-D52 WeakPolarHBondContact O-CB 3.12Å; S49-D52 PolarHBondContact O-N 3.02Å; S49-D52 VanDerWaalsContact O-N 3.16Å; S49-D52 PolarHBondContact OG-OD2 3.42Å; A50-D52 PolarHBondContact O-N 3.02Å
53L86.3Confident87.4Confident52 Ų5258.1 Ų58.127%0.27237%0.369SS..SBendtrans-78.5137.6-175.5-69.6170.3000111.5L47 A50 A51 F58 L78 S82L47-L53 HydrophobicContact CD1-CD2 3.65Å; L47-L53 HydrophobicContact CD1-CG 4.35Å; A50-L53 HydrophobicContact CB-CD1 4.43Å; A50-L53 WeakPolarHBondContact O-CB 3.23Å; A50-L53 PolarHBondContact O-N 3.44Å; A51-L53 PolarHBondContact O-N 2.58Å; L53-F58 HydrophobicContact CD2-CE2 3.98Å; L53-L78 HydrophobicContact CD1-CD2 4.4Å; L53-S82 WeakPolarHBondContact CD2-OG 3.24Å
54P86.1Confident87.6Confident34 Ų3456.5 Ų56.522%0.22136%0.359CS..  trans-67.3144.9171.728.8-33.5000110.6W42 R56 G57 F58W42-P54 HydrophobicContact CZ2-CB 4.31Å; P54-R56 PolarHBondContact O-N 2.91Å; P54-G57 WeakPolarHBondContact CG-O 3.44Å; P54-G57 PolarHBondContact O-N 3.19Å; P54-F58 HydrophobicContact CG-CD1 3.95Å; P54-F58 HydrophobicContact CG-CE1 3.64Å; P54-F58 HydrophobicContact CG-CE2 4.39Å; P54-F58 HydrophobicContact CG-CG 4.45Å; P54-F58 HydrophobicContact CG-CZ 3.88Å
55A81.1Confident88Confident115 Ų11551.2 Ų51.295%0.9532%0.315SS*.THydrogen-bonded Turntrans-57.6-23.4-178.800000114.7
56R81.9Confident88.3Confident233 Ų23351.2 Ų51.288%0.87932%0.316SS*.THydrogen-bonded Turntrans-101.13.8177.2-65.4-172.2178.6-176.7-0.1113.9P54P54-R56 PolarHBondContact O-N 2.91Å
57G86.2Confident88.5Confident20 Ų2051.8 Ų51.821%0.20631%0.314CS..THydrogen-bonded Turntrans65.5-169.4-173.300000113.9P54P54-G57 WeakPolarHBondContact CG-O 3.44Å; P54-G57 PolarHBondContact O-N 3.19Å
58F87Confident88.3Confident1 Ų153 Ų530%0.00433%0.327CS..THydrogen-bonded Turntrans-105.333.2178.9-63.7-58.6000112.4W42 L47 L53 P54 N60 Q61 P63 S82 G83 A84W42-F58 AromaticContact CD1-CE1 3.66Å; W42-F58 AromaticContact CD1-CZ 3.68Å; W42-F58 HydrophobicContact CD2-CE1 4.17Å; W42-F58 AromaticContact CG-CE1 3.92Å; W42-F58 HydrophobicContact CG-CE1 3.92Å; W42-F58 HydrophobicContact CG-CZ 4.25Å; W42-F58 AromaticContact NE1-CE1 3.73Å; W42-F58 AromaticContact NE1-CZ 3.98Å; L47-F58 HydrophobicContact CD1-CE2 4.03Å; L47-F58 HydrophobicContact CD1-CZ 4.39Å; L47-F58 HydrophobicContact CD2-CE2 4.26Å; L53-F58 HydrophobicContact CD2-CE2 3.98Å; P54-F58 HydrophobicContact CG-CD1 3.95Å; P54-F58 HydrophobicContact CG-CE1 3.64Å; P54-F58 HydrophobicContact CG-CE2 4.39Å; P54-F58 HydrophobicContact CG-CG 4.45Å; P54-F58 HydrophobicContact CG-CZ 3.88Å; F58-N60 PolarHBondContact O-N 3Å; F58-Q61 PolarHBondContact O-N 3.36Å; F58-P63 HydrophobicContact CB-CG 4.37Å; F58-P63 HydrophobicContact CD1-CB 3.78Å; F58-P63 HydrophobicContact CD1-CG 3.9Å; F58-P63 HydrophobicContact CD2-CB 4.48Å; F58-P63 HydrophobicContact CD2-CG 3.91Å; F58-P63 HydrophobicContact CE1-CB 3.62Å; F58-P63 HydrophobicContact CE1-CG 4.09Å; F58-P63 HydrophobicContact CE2-CB 4.36Å; F58-P63 HydrophobicContact CE2-CG 4.12Å; F58-P63 HydrophobicContact CG-CB 4.23Å; F58-P63 HydrophobicContact CG-CG 3.81Å; F58-P63 HydrophobicContact CZ-CB 3.95Å; F58-P63 HydrophobicContact CZ-CG 4.21Å; F58-S82 VanDerWaalsContact CD2-OG 3.23Å; F58-S82 WeakPolarHBondContact CD2-OG 3.37Å; F58-S82 PolarHBondContact N-O 3.22Å; F58-G83 CarbonylContact O-C 3.55Å; F58-G83 VanDerWaalsContact O-O 3.1Å; F58-A84 HydrophobicContact CB-CB 3.74Å; F58-A84 HydrophobicContact CD2-CB 4.43Å; F58-A84 HydrophobicContact CG-CB 4.46Å; F58-A84 WeakPolarHBondContact O-CA 3.43Å
59S87.9Confident88.1Confident77 Ų7758.3 Ų58.354%0.53835%0.353SS..THydrogen-bonded Turntrans-48.7110.3-175-57.30000113.2Q61S59-Q61 VanDerWaalsContact C-N 3.28Å; S59-Q61 PolarHBondContact O-N 2.95Å
60N84.9Confident88.1Confident110 Ų11056.9 Ų56.959%0.58834%0.343SS*.THydrogen-bonded Turntrans59.529.6-178.5-66.1-31.1000115.2F58 G83F58-N60 PolarHBondContact O-N 3Å; N60-G83 PolarHBondContact N-O 3.49Å
61Q91.1Very high88.3Confident28 Ų2856.9 Ų56.913%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-120.9161.2178.3-56.9-172.1-9.100111.7Q38 F58 S59 R85Q38-Q61 HydrophobicContact CB-CG 4.26Å; Q38-Q61 WeakPolarHBondContact O-CA 3.38Å; F58-Q61 PolarHBondContact O-N 3.36Å; S59-Q61 VanDerWaalsContact C-N 3.28Å; S59-Q61 PolarHBondContact O-N 2.95Å; Q61-R85 PolarHBondContact O-N 3.34Å; Q61-R85 VanDerWaalsContact O-N 3.12Å
62I94.1Very high88.6Confident1 Ų154 Ų541%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-110.4100.7168-58.4162.2000107L37 Q38 L39 R40 L88 L135L37-I62 HydrophobicContact CB-CD1 3.67Å; L37-I62 HydrophobicContact CB-CG1 3.89Å; L37-I62 HydrophobicContact CD1-CD1 3.95Å; L37-I62 HydrophobicContact CD1-CG1 3.95Å; L37-I62 HydrophobicContact CG-CD1 4.43Å; Q38-I62 PolarHBondContact O-N 2.83Å; L39-I62 WeakPolarHBondContact CA-O 3.41Å; L39-I62 HydrophobicContact CD1-CB 3.92Å; L39-I62 HydrophobicContact CD1-CG2 3.73Å; R40-I62 PolarHBondContact N-O 3.47Å; I62-L88 HydrophobicContact CG2-CD1 4.3Å; I62-L88 HydrophobicContact CG2-CG 3.93Å; I62-L135 HydrophobicContact CD1-CD1 3.46Å; I62-L135 VanDerWaalsContact CD1-CD1 3.46Å; I62-L135 HydrophobicContact CG1-CD1 4.4Å
63P94.1Very high88.9Confident0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-71.3137.1171.626.8-34.5000111.6W42 F58 V65 A84 G86 L87 L88W42-P63 HydrophobicContact CB-CB 4.4Å; F58-P63 HydrophobicContact CB-CG 4.37Å; F58-P63 HydrophobicContact CD1-CB 3.78Å; F58-P63 HydrophobicContact CD1-CG 3.9Å; F58-P63 HydrophobicContact CD2-CB 4.48Å; F58-P63 HydrophobicContact CD2-CG 3.91Å; F58-P63 HydrophobicContact CE1-CB 3.62Å; F58-P63 HydrophobicContact CE1-CG 4.09Å; F58-P63 HydrophobicContact CE2-CB 4.36Å; F58-P63 HydrophobicContact CE2-CG 4.12Å; F58-P63 HydrophobicContact CG-CB 4.23Å; F58-P63 HydrophobicContact CG-CG 3.81Å; F58-P63 HydrophobicContact CZ-CB 3.95Å; F58-P63 HydrophobicContact CZ-CG 4.21Å; P63-V65 HydrophobicContact CB-CG1 4.4Å; P63-A84 HydrophobicContact CG-CB 4.37Å; P63-G86 WeakPolarHBondContact CD-O 3.43Å; P63-L87 HydrophobicContact CG-CD1 3.87Å; P63-L88 PolarHBondContact O-N 3.03Å; P63-L88 VanDerWaalsContact O-N 3.1Å
64L94Very high89.1Confident0 Ų054.5 Ų54.50%030%0.303CS..EExtended strand (participates in β ladder)trans-90.6120.3160.1-69.290.4000109.2L39 R40 W42 T43 L88 V90 L115 M120 F124L39-L64 HydrophobicContact CD1-CD1 3.32Å; L39-L64 HydrophobicContact CD1-CG 4.2Å; L39-L64 HydrophobicContact CD2-CD1 3.89Å; L39-L64 HydrophobicContact CG-CD1 3.37Å; R40-L64 WeakPolarHBondContact O-CD1 3.29Å; R40-L64 PolarHBondContact O-N 3.18Å; W42-L64 CarbonylContact C-O 3.55Å; W42-L64 WeakPolarHBondContact CA-O 3.03Å; W42-L64 VanDerWaalsContact CB-O 3.23Å; W42-L64 WeakPolarHBondContact CB-O 3.22Å; W42-L64 PolarHBondContact N-O 2.86Å; T43-L64 HydrophobicContact CG2-CB 4.11Å; T43-L64 PolarHBondContact N-O 3.27Å; L64-L88 CarbonylContact C-O 3.52Å; L64-L88 VanDerWaalsContact CA-O 3.29Å; L64-L88 WeakPolarHBondContact CA-O 3.34Å; L64-L88 HydrophobicContact CG-CB 4.12Å; L64-L88 HydrophobicContact CG-CD1 4.48Å; L64-V90 HydrophobicContact CB-CG2 4.03Å; L64-V90 HydrophobicContact CD2-CG2 3.79Å; L64-V90 HydrophobicContact CG-CG2 4.39Å; L64-L115 HydrophobicContact CD2-CD2 3.91Å; L64-M120 HydrophobicContact CD2-CB 4.2Å; L64-M120 HydrophobicContact CD2-CG 3.71Å; L64-F124 HydrophobicContact CD1-CE2 4.23Å; L64-F124 HydrophobicContact CD1-CZ 3.97Å; L64-F124 HydrophobicContact CD2-CE2 4.16Å
65V94.4Very high89.3Confident0 Ų053 Ų530%029%0.293CS..EExtended strand (participates in β ladder)trans-116.7152.2177.9-61.50000110.5W42 L47 P63 L87 L88 I89 V90W42-V65 HydrophobicContact CB-CG1 4.37Å; L47-V65 HydrophobicContact CB-CB 4.32Å; L47-V65 HydrophobicContact CB-CG1 3.91Å; L47-V65 HydrophobicContact CD2-CG1 3.91Å; L47-V65 HydrophobicContact CG-CG1 4.49Å; P63-V65 HydrophobicContact CB-CG1 4.4Å; V65-L87 HydrophobicContact CG1-CD1 4.08Å; V65-L87 HydrophobicContact CG2-CD1 3.78Å; V65-L87 HydrophobicContact CG2-CG 4.38Å; V65-L88 PolarHBondContact N-O 3.36Å; V65-I89 HydrophobicContact CG2-CB 4.47Å; V65-I89 HydrophobicContact CG2-CG1 3.91Å; V65-I89 CarbonylContact O-C 3.57Å; V65-I89 WeakPolarHBondContact O-CA 3.38Å; V65-V90 PolarHBondContact O-N 3.01Å
66A93.2Very high89.9Confident21 Ų2147.5 Ų47.517%0.17425%0.248CC..EExtended strand (participates in β ladder)trans-75.8145.4175.600000111.4T43 S45 L46 G68 K75T43-A66 WeakPolarHBondContact O-CB 3.33Å; S45-A66 PolarHBondContact O-N 2.04Å; L46-A66 HydrophobicContact CD2-CB 3.99Å; A66-G68 PolarHBondContact O-N 3.31Å; A66-K75 PolarHBondContact O-NZ 3.37Å
67R92.1Very high90.3Very high82 Ų8244.3 Ų44.331%0.30924%0.236SC..  trans-61.6134.8165.4-173.4175179.2176-3.1108.7I89 V90 S91 R94R67-I89 HydrophobicContact CB-CG2 4.13Å; R67-V90 WeakPolarHBondContact CB-O 3.41Å; R67-V90 PolarHBondContact N-O 3.19Å; R67-S91 WeakPolarHBondContact CD-OG 3.36Å; R67-S91 PolarHBondContact NH1-OG 3.15Å; R67-R94 PolarHBondContact NH1-O 3.5Å
68G86.6Confident90.6Very high29 Ų2945.2 Ų45.230%0.29924%0.236SC..  trans-138.8-162.4-177.100000111.5A66A66-G68 PolarHBondContact O-N 3.31Å
69N87.2Confident90.9Very high150 Ų15045.2 Ų45.280%0.80224%0.236SC*.SBendtrans-84-12.5-179.861.3-7.8000114.4
70C88.9Confident91Very high21 Ų2144.7 Ų44.714%0.14223%0.225CC..SBendtrans-84.3160.7174.761.40000112.6C48 E74 K75C48-C70 WeakPolarHBondContact CA-SG 3.49Å; C48-C70 HydrophobicContact CB-CB 3.6Å; C48-C70 WeakPolarHBondContact CB-SG 3.47Å; C48-C70 WeakPolarHBondContact SG-CB 3.15Å; C48-C70 CovalentContact SG-SG 2.04Å; C48-C70 PolarHBondContact SG-SG 2.89Å; C70-E74 WeakPolarHBondContact CB-OE2 3.26Å; C70-K75 WeakPolarHBondContact SG-CE 3.49Å; C70-K75 PolarHBondContact SG-NZ 3.03Å
71T89.6Confident91.3Very high72 Ų7243 Ų4344%0.44223%0.233SC..  trans-71.1158.2-177.166.20000112.1Y73 E74 K75T71-Y73 VanDerWaalsContact C-N 3.27Å; T71-Y73 PolarHBondContact O-N 3.45Å; T71-E74 PolarHBondContact N-OE2 3.1Å; T71-E74 PolarHBondContact O-N 3.08Å; T71-E74 WeakPolarHBondContact OG1-CB 3.23Å; T71-E74 WeakPolarHBondContact OG1-CG 3.07Å; T71-E74 PolarHBondContact OG1-N 3.19Å; T71-E74 PolarHBondContact OG1-OE2 3.07Å; T71-K75 PolarHBondContact O-N 3.2Å
72F90.4Very high91.2Very high36 Ų3642.5 Ų42.516%0.15823%0.233CC..Hα-helixtrans-60.9-39.2174.1-63.6-62.5000111.7W24 K75 V76 I89 P98 L114W24-F72 HydrophobicContact CH2-CB 3.72Å; W24-F72 HydrophobicContact CZ3-CB 4.03Å; F72-K75 PolarHBondContact O-N 2.86Å; F72-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 2.85Å; F72-I89 HydrophobicContact CD1-CD1 3.56Å; F72-I89 HydrophobicContact CE1-CD1 4.17Å; F72-I89 HydrophobicContact CE1-CG2 4.36Å; F72-P98 HydrophobicContact CB-CB 4.11Å; F72-P98 HydrophobicContact CD1-CB 4.41Å; F72-P98 HydrophobicContact CD2-CB 4.11Å; F72-P98 HydrophobicContact CG-CB 3.97Å; F72-L114 HydrophobicContact CD1-CD1 4.47Å; F72-L114 HydrophobicContact CE1-CD1 3.97Å; F72-L114 HydrophobicContact CE1-CD2 4.02Å; F72-L114 HydrophobicContact CE1-CG 4.24Å; F72-L114 HydrophobicContact CZ-CD1 4.34Å; F72-L114 HydrophobicContact CZ-CD2 4.01Å
73Y89.4Confident91.1Very high27 Ų2744 Ų4411%0.10625%0.249CC..Hα-helixtrans-62.6-44.8179.9170-98.9000112.3T71 K75 V76 R77 Q104 E107 I108T71-Y73 VanDerWaalsContact C-N 3.27Å; T71-Y73 PolarHBondContact O-N 3.45Å; Y73-K75 PolarHBondContact O-N 3.12Å; Y73-V76 PolarHBondContact O-N 2.76Å; Y73-R77 WeakPolarHBondContact O-CB 3.31Å; Y73-R77 PolarHBondContact O-N 2.81Å; Y73-Q104 HydrophobicContact CD1-CG 4.48Å; Y73-Q104 HydrophobicContact CD2-CB 3.59Å; Y73-Q104 HydrophobicContact CD2-CG 3.88Å; Y73-Q104 HydrophobicContact CE1-CG 4.43Å; Y73-Q104 HydrophobicContact CE2-CB 3.67Å; Y73-Q104 HydrophobicContact CE2-CG 3.83Å; Y73-Q104 HydrophobicContact CG-CB 4.31Å; Y73-Q104 HydrophobicContact CG-CG 4.21Å; Y73-E107 PolarHBondContact OH-OE2 2.89Å; Y73-I108 HydrophobicContact CD2-CD1 4.12Å; Y73-I108 HydrophobicContact CD2-CG1 4.4Å
74E90.1Very high91Very high88 Ų8844.2 Ų44.241%0.41125%0.25SS..Hα-helixtrans-59.8-45.7178.8-74.5162.2153.800112.4C70 T71 V76 R77 L78C70-E74 WeakPolarHBondContact CB-OE2 3.26Å; T71-E74 PolarHBondContact N-OE2 3.1Å; T71-E74 PolarHBondContact O-N 3.08Å; T71-E74 WeakPolarHBondContact OG1-CB 3.23Å; T71-E74 WeakPolarHBondContact OG1-CG 3.07Å; T71-E74 PolarHBondContact OG1-N 3.19Å; T71-E74 PolarHBondContact OG1-OE2 3.07Å; E74-V76 VanDerWaalsContact C-N 3.29Å; E74-V76 PolarHBondContact O-N 3.13Å; E74-R77 PolarHBondContact O-N 3.31Å; E74-L78 WeakPolarHBondContact O-CG 3.36Å; E74-L78 PolarHBondContact O-N 2.85Å; E74-L78 VanDerWaalsContact O-N 3.08Å
75K92.1Very high90.9Very high1 Ų151.4 Ų51.40%0.00428%0.277CS..Hα-helixtrans-59.1-43.4177.4-66.1171.4-174.1-78.60111.5L46 L47 A66 C70 T71 F72 Y73 L78 A79 L87 I89L46-K75 PolarHBondContact O-NZ 2.94Å; L47-K75 WeakPolarHBondContact O-CG 3.37Å; A66-K75 PolarHBondContact O-NZ 3.37Å; C70-K75 WeakPolarHBondContact SG-CE 3.49Å; C70-K75 PolarHBondContact SG-NZ 3.03Å; T71-K75 PolarHBondContact O-N 3.2Å; F72-K75 PolarHBondContact O-N 2.86Å; Y73-K75 PolarHBondContact O-N 3.12Å; K75-L78 PolarHBondContact O-N 3.45Å; K75-A79 WeakPolarHBondContact O-CB 3.29Å; K75-A79 PolarHBondContact O-N 2.87Å; K75-L87 HydrophobicContact CB-CD2 3.96Å; K75-I89 HydrophobicContact CD-CD1 3.92Å
76V91.6Very high90.8Very high0 Ų051.4 Ų51.40%028%0.277CS..Hα-helixtrans-68.5-42.6-177.4173.80000110.8W24 F72 Y73 E74 L78 A79 Q80 L87 I108 I110 V112W24-V76 HydrophobicContact CZ3-CG2 4.1Å; F72-V76 WeakPolarHBondContact O-CG2 3.44Å; F72-V76 PolarHBondContact O-N 2.85Å; Y73-V76 PolarHBondContact O-N 2.76Å; E74-V76 VanDerWaalsContact C-N 3.29Å; E74-V76 PolarHBondContact O-N 3.13Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 PolarHBondContact O-N 3.04Å; V76-A79 PolarHBondContact O-N 3.31Å; V76-Q80 WeakPolarHBondContact O-CB 3.43Å; V76-Q80 PolarHBondContact O-N 2.64Å; V76-L87 HydrophobicContact CB-CD2 4.42Å; V76-L87 HydrophobicContact CG2-CD2 3.6Å; V76-I108 HydrophobicContact CG1-CB 4.46Å; V76-I108 HydrophobicContact CG1-CD1 4.43Å; V76-I108 HydrophobicContact CG1-CG1 4Å; V76-I108 HydrophobicContact CG1-CG2 3.74Å; V76-I110 HydrophobicContact CG1-CD1 4.29Å; V76-I110 HydrophobicContact CG1-CG1 3.98Å; V76-V112 HydrophobicContact CB-CG2 4.14Å; V76-V112 HydrophobicContact CG1-CG2 3.7Å; V76-V112 HydrophobicContact CG2-CB 4.01Å; V76-V112 HydrophobicContact CG2-CG1 3.54Å; V76-V112 HydrophobicContact CG2-CG2 3.26Å
77R91.1Very high90.9Very high166 Ų16650.4 Ų50.463%0.62627%0.269SS*.Hα-helixtrans-59.1-43.1175.4-173.1176.9175.2-174.9-0.5111.7Y73 E74 G81Y73-R77 WeakPolarHBondContact O-CB 3.31Å; Y73-R77 PolarHBondContact O-N 2.81Å; E74-R77 PolarHBondContact O-N 3.31Å; R77-G81 PolarHBondContact O-N 3.19Å
78L92.3Very high91Very high40 Ų4046.5 Ų46.521%0.20925%0.254CS..Hα-helixtrans-67.2-42.9175.9-69.5172.2000112.4L47 L53 E74 K75 V76 S82L47-L78 HydrophobicContact CD1-CB 4.49Å; L47-L78 HydrophobicContact CG-CB 4.31Å; L53-L78 HydrophobicContact CD1-CD2 4.4Å; E74-L78 WeakPolarHBondContact O-CG 3.36Å; E74-L78 PolarHBondContact O-N 2.85Å; E74-L78 VanDerWaalsContact O-N 3.08Å; K75-L78 PolarHBondContact O-N 3.45Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 PolarHBondContact O-N 3.04Å; L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 2.89Å; L78-S82 VanDerWaalsContact O-N 3.15Å; L78-S82 PolarHBondContact O-OG 3.4Å
79A92.7Very high91.4Very high0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-64.8-46.517800000111.8L47 K75 V76 S82 G83 A84 L87 I110L47-A79 HydrophobicContact CD2-CB 4Å; K75-A79 WeakPolarHBondContact O-CB 3.29Å; K75-A79 PolarHBondContact O-N 2.87Å; V76-A79 PolarHBondContact O-N 3.31Å; A79-S82 CarbonylContact O-C 3.53Å; A79-S82 PolarHBondContact O-N 3.2Å; A79-S82 PolarHBondContact O-OG 2.96Å; A79-G83 PolarHBondContact O-N 3.06Å; A79-A84 HydrophobicContact CB-CB 3.99Å; A79-A84 WeakPolarHBondContact O-CB 3.28Å; A79-A84 PolarHBondContact O-N 2.82Å; A79-L87 HydrophobicContact CB-CB 4.5Å; A79-L87 HydrophobicContact CB-CD1 4.04Å; A79-L87 HydrophobicContact CB-CD2 4.23Å; A79-L87 HydrophobicContact CB-CG 4.49Å; A79-I110 HydrophobicContact CB-CD1 4.16Å
80Q92Very high91.8Very high66 Ų6638.3 Ų38.331%0.30820%0.204SC..Hα-helixtrans-65-45.3178.4-176.7171.6-45.800111.3V76 S82 G83 E107 I110V76-Q80 WeakPolarHBondContact O-CB 3.43Å; V76-Q80 PolarHBondContact O-N 2.64Å; Q80-S82 PolarHBondContact O-N 2.87Å; Q80-G83 PolarHBondContact O-N 3.06Å; Q80-E107 PolarHBondContact NE2-O 3.26Å; Q80-I110 HydrophobicContact CB-CD1 3.9Å; Q80-I110 HydrophobicContact CB-CG1 4.19Å; Q80-I110 HydrophobicContact CB-CG2 4.46Å; Q80-I110 HydrophobicContact CG-CG2 4.15Å
81G89.9Confident91.9Very high74 Ų7437.3 Ų37.376%0.76320%0.197SC*.Hα-helixtrans-62.3-21.5176.400000113.8R77R77-G81 PolarHBondContact O-N 3.19Å
82S90.4Very high92Very high18 Ų1843.3 Ų43.313%0.12621%0.212CC..THydrogen-bonded Turntrans-99.113.3175.455.50000113.9L53 F58 L78 A79 Q80L53-S82 WeakPolarHBondContact CD2-OG 3.24Å; F58-S82 VanDerWaalsContact CD2-OG 3.23Å; F58-S82 WeakPolarHBondContact CD2-OG 3.37Å; F58-S82 PolarHBondContact N-O 3.22Å; L78-S82 WeakPolarHBondContact O-CB 3.4Å; L78-S82 PolarHBondContact O-N 2.89Å; L78-S82 VanDerWaalsContact O-N 3.15Å; L78-S82 PolarHBondContact O-OG 3.4Å; A79-S82 CarbonylContact O-C 3.53Å; A79-S82 PolarHBondContact O-N 3.2Å; A79-S82 PolarHBondContact O-OG 2.96Å; Q80-S82 PolarHBondContact O-N 2.87Å
83G90.8Very high91.8Very high33 Ų3348.4 Ų48.434%0.3424%0.236SC..THydrogen-bonded Turntrans83.815.9171.500000115.5F58 N60 A79 Q80F58-G83 CarbonylContact O-C 3.55Å; F58-G83 VanDerWaalsContact O-O 3.1Å; N60-G83 PolarHBondContact N-O 3.49Å; A79-G83 PolarHBondContact O-N 3.06Å; Q80-G83 PolarHBondContact O-N 3.06Å
84A93.1Very high91.5Very high4 Ų457.7 Ų57.73%0.03327%0.271CS..  trans-61.9149171.500000110.8F58 P63 A79 I110F58-A84 HydrophobicContact CB-CB 3.74Å; F58-A84 HydrophobicContact CD2-CB 4.43Å; F58-A84 HydrophobicContact CG-CB 4.46Å; F58-A84 WeakPolarHBondContact O-CA 3.43Å; P63-A84 HydrophobicContact CG-CB 4.37Å; A79-A84 HydrophobicContact CB-CB 3.99Å; A79-A84 WeakPolarHBondContact O-CB 3.28Å; A79-A84 PolarHBondContact O-N 2.82Å; A84-I110 HydrophobicContact CB-CD1 4.25Å; A84-I110 WeakPolarHBondContact O-CG2 3.32Å
85R91.8Very high91.3Very high151 Ų15156.4 Ų56.457%0.5727%0.267SS*.SBendtrans-105.3-0.7175.4-68.9-68.4-71.4-173.6-4.4113.3L37 Q61 P111L37-R85 HydrophobicContact CD1-CB 3.51Å; L37-R85 HydrophobicContact CD1-CG 4.48Å; L37-R85 HydrophobicContact CD2-CB 4.35Å; Q61-R85 PolarHBondContact O-N 3.34Å; Q61-R85 VanDerWaalsContact O-N 3.12Å; R85-P111 WeakPolarHBondContact O-CD 3.42Å
86G92.6Very high90.9Very high0 Ų059.6 Ų59.60%029%0.286CS..  trans-177.8162.5174.600000109.3P63 P111P63-G86 WeakPolarHBondContact CD-O 3.43Å; G86-P111 CarbonylContact C-O 3.52Å; G86-P111 VanDerWaalsContact CA-O 3.31Å; G86-P111 WeakPolarHBondContact CA-O 3.28Å
87L93.9Very high90.5Very high0 Ų063 Ų630%031%0.308CS..EExtended strand (participates in β ladder)trans-133.8127.7179.2-178.366.3000110.2L47 P63 V65 K75 V76 A79 I89 I110 P111 V112 A113L47-L87 HydrophobicContact CD2-CD1 4.32Å; P63-L87 HydrophobicContact CG-CD1 3.87Å; V65-L87 HydrophobicContact CG1-CD1 4.08Å; V65-L87 HydrophobicContact CG2-CD1 3.78Å; V65-L87 HydrophobicContact CG2-CG 4.38Å; K75-L87 HydrophobicContact CB-CD2 3.96Å; V76-L87 HydrophobicContact CB-CD2 4.42Å; V76-L87 HydrophobicContact CG2-CD2 3.6Å; A79-L87 HydrophobicContact CB-CB 4.5Å; A79-L87 HydrophobicContact CB-CD1 4.04Å; A79-L87 HydrophobicContact CB-CD2 4.23Å; A79-L87 HydrophobicContact CB-CG 4.49Å; L87-I89 HydrophobicContact CD2-CD1 4.07Å; L87-I89 HydrophobicContact CD2-CG1 4.09Å; L87-I89 HydrophobicContact CG-CG1 4.07Å; L87-I110 HydrophobicContact CB-CD1 4.41Å; L87-P111 PolarHBondContact N-O 3.09Å; L87-V112 HydrophobicContact CD2-CG1 4.42Å; L87-V112 WeakPolarHBondContact O-CA 3.23Å; L87-A113 PolarHBondContact O-N 3.41Å; L87-A113 VanDerWaalsContact O-N 3.07Å
88L94.8Very high90Very high0 Ų055.1 Ų55.10%028%0.278CS..EExtended strand (participates in β ladder)trans-109.8125.9171.1-70.6-175.8000110.4V2 I18 L39 I62 P63 L64 V65 A113 L135V2-L88 HydrophobicContact CG2-CD1 4.33Å; I18-L88 HydrophobicContact CG2-CD2 4.34Å; L39-L88 HydrophobicContact CD1-CD1 3.78Å; I62-L88 HydrophobicContact CG2-CD1 4.3Å; I62-L88 HydrophobicContact CG2-CG 3.93Å; P63-L88 PolarHBondContact O-N 3.03Å; P63-L88 VanDerWaalsContact O-N 3.1Å; L64-L88 CarbonylContact C-O 3.52Å; L64-L88 VanDerWaalsContact CA-O 3.29Å; L64-L88 WeakPolarHBondContact CA-O 3.34Å; L64-L88 HydrophobicContact CG-CB 4.12Å; L64-L88 HydrophobicContact CG-CD1 4.48Å; V65-L88 PolarHBondContact N-O 3.36Å; L88-A113 CarbonylContact C-O 3.51Å; L88-A113 WeakPolarHBondContact CA-O 3.29Å; L88-A113 HydrophobicContact CD2-CB 3.83Å; L88-L135 HydrophobicContact CD2-CD2 3.95Å
89I94.8Very high89.3Confident0 Ų055.4 Ų55.40%029%0.291CS..EExtended strand (participates in β ladder)trans-108.2116.9-178-55.7177.3000108.8V65 R67 F72 K75 L87 V112 A113 L114 L115V65-I89 HydrophobicContact CG2-CB 4.47Å; V65-I89 HydrophobicContact CG2-CG1 3.91Å; V65-I89 CarbonylContact O-C 3.57Å; V65-I89 WeakPolarHBondContact O-CA 3.38Å; R67-I89 HydrophobicContact CB-CG2 4.13Å; F72-I89 HydrophobicContact CD1-CD1 3.56Å; F72-I89 HydrophobicContact CE1-CD1 4.17Å; F72-I89 HydrophobicContact CE1-CG2 4.36Å; K75-I89 HydrophobicContact CD-CD1 3.92Å; L87-I89 HydrophobicContact CD2-CD1 4.07Å; L87-I89 HydrophobicContact CD2-CG1 4.09Å; L87-I89 HydrophobicContact CG-CG1 4.07Å; I89-V112 HydrophobicContact CD1-CG1 4.04Å; I89-A113 PolarHBondContact N-O 2.9Å; I89-L114 HydrophobicContact CB-CG 4.24Å; I89-L114 CarbonylContact O-C 3.56Å; I89-L114 WeakPolarHBondContact O-CA 3.35Å; I89-L115 PolarHBondContact O-N 3.49Å
90V94.7Very high88.5Confident7 Ų756.7 Ų56.74%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-87.8118.2-176-174.40000109.8T43 L64 V65 R67 L115 Y117 M120T43-V90 HydrophobicContact CG2-CB 4.14Å; T43-V90 HydrophobicContact CG2-CG2 3.74Å; L64-V90 HydrophobicContact CB-CG2 4.03Å; L64-V90 HydrophobicContact CD2-CG2 3.79Å; L64-V90 HydrophobicContact CG-CG2 4.39Å; V65-V90 PolarHBondContact O-N 3.01Å; R67-V90 WeakPolarHBondContact CB-O 3.41Å; R67-V90 PolarHBondContact N-O 3.19Å; V90-L115 WeakPolarHBondContact CA-O 3.4Å; V90-Y117 HydrophobicContact CG1-CD2 3.86Å; V90-Y117 HydrophobicContact CG1-CG 4.45Å; V90-M120 HydrophobicContact CG1-CB 4.01Å; V90-M120 HydrophobicContact CG1-CG 4.32Å; V90-M120 HydrophobicContact CG2-CB 4.22Å; V90-M120 HydrophobicContact CG2-CG 4.11Å
91S92.7Very high87.9Confident1 Ų158.7 Ų58.71%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-109.1134.9178.5-174.20000110.8R67 E93 L115 Y117R67-S91 WeakPolarHBondContact CD-OG 3.36Å; R67-S91 PolarHBondContact NH1-OG 3.15Å; S91-E93 PolarHBondContact OG-N 2.79Å; S91-E93 PolarHBondContact OG-O 3.02Å; S91-L115 PolarHBondContact N-O 3.31Å; S91-Y117 PolarHBondContact O-N 3.07Å
92R90Very high87.2Confident197 Ų19763.7 Ų63.774%0.74332%0.318SS*.SBendtrans-84.8-24.4168.3-67.3-178.7-179.7-131.20.3112.3Y117R92-Y117 HydrophobicContact CG-CD1 4.29Å; R92-Y117 HydrophobicContact CG-CD2 4.2Å; R92-Y117 HydrophobicContact CG-CG 3.85Å; R92-Y117 PolarHBondContact NH2-OH 2.98Å
93E86.7Confident86.5Confident144 Ų14467.7 Ų67.767%0.67334%0.342SS*.SBendtrans-92178.7176.2-63.3174.1-172.600111S91 L95S91-E93 PolarHBondContact OG-N 2.79Å; S91-E93 PolarHBondContact OG-O 3.02Å; E93-L95 PolarHBondContact O-N 3.36Å
94R82.9Confident85.7Confident221 Ų22168.4 Ų68.483%0.83434%0.336SS*.  trans-49134.9175.2-66.5-173.8-177.9-178.62.5111.3R67 V96R67-R94 PolarHBondContact NH1-O 3.5Å; R94-V96 PolarHBondContact O-N 2.88Å
95L86Confident84.8Confident62 Ų6270.2 Ų70.233%0.32534%0.343SS..  trans-69.9125.9176.1-60.8167000108.2L19 E93 L114L19-L95 HydrophobicContact CB-CB 4.2Å; L19-L95 VanDerWaalsContact CD2-C 3.43Å; L19-L95 HydrophobicContact CD2-CB 3.72Å; L19-L95 WeakPolarHBondContact CD2-O 3.31Å; E93-L95 PolarHBondContact O-N 3.36Å; L95-L114 HydrophobicContact CD2-CB 3.71Å; L95-L114 HydrophobicContact CD2-CD2 4.5Å
96V84.9Confident83.9Confident67 Ų6770 Ų7041%0.40635%0.353SS..  trans-119.7134.4176.7-179.90000107.2L19 R94 L114L19-V96 VanDerWaalsContact CD2-C 3.42Å; R94-V96 PolarHBondContact O-N 2.88Å; V96-L114 VanDerWaalsContact O-CD2 3.26Å; V96-L114 WeakPolarHBondContact O-CD2 3.23Å
97P82.5Confident83.3Confident71 Ų7175.4 Ų75.446%0.46138%0.378SS..  trans-61.4137.4-179.926.3-32.7000109.2L19 G99L19-P97 HydrophobicContact CD2-CB 4.36Å; L19-P97 VanDerWaalsContact CD2-N 3.33Å; L19-P97 HydrophobicContact CG-CB 4.27Å; P97-G99 PolarHBondContact O-N 2.85Å; P97-G99 VanDerWaalsContact O-N 3.13Å
98P80.7Confident82.9Confident1 Ų176.1 Ų76.11%0.00638%0.382CS..  trans-64.7119.6-179.125.3-28.5000109.1N21 W24 F72 L114N21-P98 HydrophobicContact CB-CG 3.93Å; N21-P98 VanDerWaalsContact CB-O 3.24Å; N21-P98 WeakPolarHBondContact CB-O 3.45Å; N21-P98 PolarHBondContact ND2-O 3.28Å; W24-P98 HydrophobicContact CE3-CB 4.28Å; W24-P98 HydrophobicContact CH2-CB 4.21Å; W24-P98 HydrophobicContact CZ2-CB 4.5Å; W24-P98 HydrophobicContact CZ3-CB 4.06Å; F72-P98 HydrophobicContact CB-CB 4.11Å; F72-P98 HydrophobicContact CD1-CB 4.41Å; F72-P98 HydrophobicContact CD2-CB 4.11Å; F72-P98 HydrophobicContact CG-CB 3.97Å; P98-L114 HydrophobicContact CB-CD1 4.14Å; P98-L114 HydrophobicContact CG-CD1 4.07Å
99G77.9Confident82.4Confident46 Ų4679 Ų7947%0.47441%0.412SS..  trans-114.4152.2-178.400000111.9W24 P97W24-G99 VanDerWaalsContact CZ2-C 3.45Å; W24-G99 WeakPolarHBondContact CZ2-O 3.4Å; P97-G99 PolarHBondContact O-N 2.85Å; P97-G99 VanDerWaalsContact O-N 3.13Å
100G75.6Confident82.2Confident27 Ų2779.5 Ų79.528%0.27841%0.414SS..  trans-162.8-172.2178.900000111.5Y105G100-Y105 PolarHBondContact N-OH 3.3Å; G100-Y105 VanDerWaalsContact O-CZ 3.31Å; G100-Y105 PolarHBondContact O-OH 2.96Å
101N80.3Confident82Confident108 Ų10880.4 Ų80.458%0.57842%0.42SS*.  trans-85.9154176.7-70-26.9000111.3T103 Q104 Y105N101-T103 VanDerWaalsContact C-N 3.27Å; N101-T103 PolarHBondContact O-N 3.05Å; N101-Q104 HydrophobicContact CB-CG 4.24Å; N101-Q104 WeakPolarHBondContact O-CA 3.24Å; N101-Q104 VanDerWaalsContact O-CB 3.29Å; N101-Q104 WeakPolarHBondContact O-CB 3.44Å; N101-Q104 PolarHBondContact O-N 3.46Å; N101-Y105 WeakPolarHBondContact O-CD1 3.38Å; N101-Y105 WeakPolarHBondContact O-CE1 3.2Å; N101-Y105 PolarHBondContact O-N 2.84Å
102K73.9Confident82Confident179 Ų17980.5 Ų80.578%0.77842%0.421SS*.Hα-helixtrans-54.1-40.9-179.3-69-176.8-179.5177.40113.5Q104 Y105K102-Q104 PolarHBondContact O-N 3.33Å; K102-Y105 WeakPolarHBondContact O-CB 3.49Å; K102-Y105 PolarHBondContact O-N 3.09Å; K102-Y105 VanDerWaalsContact O-N 3.14Å
103T75.3Confident82.1Confident103 Ų10371.1 Ų71.163%0.63239%0.385SS*.Hα-helixtrans-66.5-24.3178.154.30000113.3N101 Y105N101-T103 VanDerWaalsContact C-N 3.27Å; N101-T103 PolarHBondContact O-N 3.05Å; T103-Y105 VanDerWaalsContact C-N 3.3Å
104Q75.1Confident82.5Confident48 Ų4864.2 Ų64.222%0.22435%0.353CS..Hα-helixtrans-78.3-18.7176.9-67.4175.2-31.800112.1Y73 N101 K102 I108Y73-Q104 HydrophobicContact CD1-CG 4.48Å; Y73-Q104 HydrophobicContact CD2-CB 3.59Å; Y73-Q104 HydrophobicContact CD2-CG 3.88Å; Y73-Q104 HydrophobicContact CE1-CG 4.43Å; Y73-Q104 HydrophobicContact CE2-CB 3.67Å; Y73-Q104 HydrophobicContact CE2-CG 3.83Å; Y73-Q104 HydrophobicContact CG-CB 4.31Å; Y73-Q104 HydrophobicContact CG-CG 4.21Å; N101-Q104 HydrophobicContact CB-CG 4.24Å; N101-Q104 WeakPolarHBondContact O-CA 3.24Å; N101-Q104 VanDerWaalsContact O-CB 3.29Å; N101-Q104 WeakPolarHBondContact O-CB 3.44Å; N101-Q104 PolarHBondContact O-N 3.46Å; K102-Q104 PolarHBondContact O-N 3.33Å; Q104-I108 WeakPolarHBondContact O-CD1 3.45Å; Q104-I108 WeakPolarHBondContact O-CG1 3.33Å
105Y72.8Confident83.1Confident41 Ų4153.7 Ų53.716%0.16131%0.313CS..Hα-helixtrans-73.5-36.4-178.6-57.6-20000111.7Q23 W24 G100 N101 K102 T103 E107 I108Q23-Y105 HydrophobicContact CB-CD2 4.39Å; Q23-Y105 HydrophobicContact CB-CE2 4.36Å; W24-Y105 AromaticContact CD1-CD1 3.43Å; W24-Y105 VanDerWaalsContact CD1-CD1 3.43Å; W24-Y105 AromaticContact CD1-CE1 3.45Å; W24-Y105 VanDerWaalsContact CD1-CE1 3.45Å; W24-Y105 AromaticContact CE2-CD1 3.95Å; W24-Y105 AromaticContact CE2-CE1 3.66Å; W24-Y105 HydrophobicContact CG-CD1 4.32Å; W24-Y105 HydrophobicContact CZ2-CE1 4.13Å; W24-Y105 AromaticContact NE1-CD1 3.23Å; W24-Y105 AromaticContact NE1-CE1 2.82Å; W24-Y105 AromaticContact NE1-CZ 3.57Å; G100-Y105 PolarHBondContact N-OH 3.3Å; G100-Y105 VanDerWaalsContact O-CZ 3.31Å; G100-Y105 PolarHBondContact O-OH 2.96Å; N101-Y105 WeakPolarHBondContact O-CD1 3.38Å; N101-Y105 WeakPolarHBondContact O-CE1 3.2Å; N101-Y105 PolarHBondContact O-N 2.84Å; K102-Y105 WeakPolarHBondContact O-CB 3.49Å; K102-Y105 PolarHBondContact O-N 3.09Å; K102-Y105 VanDerWaalsContact O-N 3.14Å; T103-Y105 VanDerWaalsContact C-N 3.3Å; Y105-E107 PolarHBondContact O-N 3.35Å; Y105-I108 PolarHBondContact O-N 3.16Å
106D74.3Confident83.5Confident147 Ų14752.3 Ų52.379%0.78631%0.309SS*.THydrogen-bonded Turntrans-68.4-21.6-178.6-61.6-33.1000113
107E80.6Confident83.9Confident113 Ų11352.5 Ų52.553%0.52830%0.302SS..THydrogen-bonded Turntrans-87.2-17.6179.9-64.1-177.2-178.500113.6Y73 Q80 Y105Y73-E107 PolarHBondContact OH-OE2 2.89Å; Q80-E107 PolarHBondContact NE2-O 3.26Å; Y105-E107 PolarHBondContact O-N 3.35Å
108I83.7Confident84.4Confident16 Ų1657 Ų578%0.08232%0.315CS..  trans-87.8118.5-176.1-63.8164.3000109.3W24 Y73 V76 Q104 Y105 I110 V112W24-I108 HydrophobicContact CB-CG2 4.45Å; W24-I108 HydrophobicContact CD2-CD1 3.68Å; W24-I108 HydrophobicContact CE3-CD1 3.51Å; W24-I108 HydrophobicContact CG-CD1 4.19Å; W24-I108 HydrophobicContact CH2-CD1 4.17Å; W24-I108 HydrophobicContact CZ2-CD1 4.34Å; W24-I108 HydrophobicContact CZ3-CD1 3.78Å; Y73-I108 HydrophobicContact CD2-CD1 4.12Å; Y73-I108 HydrophobicContact CD2-CG1 4.4Å; V76-I108 HydrophobicContact CG1-CB 4.46Å; V76-I108 HydrophobicContact CG1-CD1 4.43Å; V76-I108 HydrophobicContact CG1-CG1 4Å; V76-I108 HydrophobicContact CG1-CG2 3.74Å; Q104-I108 WeakPolarHBondContact O-CD1 3.45Å; Q104-I108 WeakPolarHBondContact O-CG1 3.33Å; Y105-I108 PolarHBondContact O-N 3.16Å; I108-I110 WeakPolarHBondContact CG2-O 3.5Å; I108-V112 HydrophobicContact CG2-CG2 4.44Å
109G85.2Confident85Confident61 Ų6159 Ų5963%0.62933%0.326SS*.  trans-110.30.3178.800000114.4
110I90.8Very high85.7Confident10 Ų1057.2 Ų57.25%0.05131%0.305CS..SBendtrans-121.7145.6-177.466.2169.8000111.8V76 A79 Q80 A84 L87 I108 V112V76-I110 HydrophobicContact CG1-CD1 4.29Å; V76-I110 HydrophobicContact CG1-CG1 3.98Å; A79-I110 HydrophobicContact CB-CD1 4.16Å; Q80-I110 HydrophobicContact CB-CD1 3.9Å; Q80-I110 HydrophobicContact CB-CG1 4.19Å; Q80-I110 HydrophobicContact CB-CG2 4.46Å; Q80-I110 HydrophobicContact CG-CG2 4.15Å; A84-I110 HydrophobicContact CB-CD1 4.25Å; A84-I110 WeakPolarHBondContact O-CG2 3.32Å; L87-I110 HydrophobicContact CB-CD1 4.41Å; I108-I110 WeakPolarHBondContact CG2-O 3.5Å; I110-V112 WeakPolarHBondContact O-CG2 3.35Å
111P91.1Very high86.5Confident25 Ų2559.8 Ų59.816%0.16231%0.312CS..  trans-69.5136.3175.928.1-34.6000112.6A25 L27 R85 G86 L87A25-P111 HydrophobicContact CB-CB 4.09Å; L27-P111 HydrophobicContact CD2-CB 3.6Å; L27-P111 HydrophobicContact CD2-CG 4.14Å; L27-P111 HydrophobicContact CG-CB 4.33Å; R85-P111 WeakPolarHBondContact O-CD 3.42Å; G86-P111 CarbonylContact C-O 3.52Å; G86-P111 VanDerWaalsContact CA-O 3.31Å; G86-P111 WeakPolarHBondContact CA-O 3.28Å; L87-P111 PolarHBondContact N-O 3.09Å
112V91.7Very high87.1Confident3 Ų356.4 Ų56.42%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-127.4123.4-176.2-170.30000108.4Y20 W24 V76 L87 I89 I108 I110Y20-V112 WeakPolarHBondContact CB-O 3.15Å; W24-V112 HydrophobicContact CE3-CB 4.06Å; W24-V112 HydrophobicContact CE3-CG1 4.44Å; W24-V112 HydrophobicContact CE3-CG2 3.97Å; W24-V112 HydrophobicContact CZ3-CG1 4.42Å; W24-V112 HydrophobicContact CZ3-CG2 4.44Å; V76-V112 HydrophobicContact CB-CG2 4.14Å; V76-V112 HydrophobicContact CG1-CG2 3.7Å; V76-V112 HydrophobicContact CG2-CB 4.01Å; V76-V112 HydrophobicContact CG2-CG1 3.54Å; V76-V112 HydrophobicContact CG2-CG2 3.26Å; L87-V112 HydrophobicContact CD2-CG1 4.42Å; L87-V112 WeakPolarHBondContact O-CA 3.23Å; I89-V112 HydrophobicContact CD1-CG1 4.04Å; I108-V112 HydrophobicContact CG2-CG2 4.44Å; I110-V112 WeakPolarHBondContact O-CG2 3.35Å
113A93.3Very high88Confident0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-141.9153.4178.300000111.8I18 L19 L87 L88 I89 L135I18-A113 HydrophobicContact CB-CB 3.92Å; I18-A113 HydrophobicContact CD1-CB 3.7Å; I18-A113 HydrophobicContact CG1-CB 4.22Å; L19-A113 CarbonylContact O-C 3.58Å; L19-A113 VanDerWaalsContact O-CA 3.28Å; L19-A113 WeakPolarHBondContact O-CA 3.19Å; L87-A113 PolarHBondContact O-N 3.41Å; L87-A113 VanDerWaalsContact O-N 3.07Å; L88-A113 CarbonylContact C-O 3.51Å; L88-A113 WeakPolarHBondContact CA-O 3.29Å; L88-A113 HydrophobicContact CD2-CB 3.83Å; I89-A113 PolarHBondContact N-O 2.9Å; A113-L135 HydrophobicContact CB-CD2 4.35Å
114L94Very high88.7Confident0 Ų044.8 Ų44.80%023%0.234CC..EExtended strand (participates in β ladder)trans-95.6142.9173.8-74.974.7000110.2I18 L19 F72 I89 L95 V96 P98I18-L114 VanDerWaalsContact CA-O 3.24Å; I18-L114 WeakPolarHBondContact CA-O 3.22Å; I18-L114 WeakPolarHBondContact CB-O 3.44Å; L19-L114 PolarHBondContact N-O 3.02Å; L19-L114 PolarHBondContact O-N 3.22Å; F72-L114 HydrophobicContact CD1-CD1 4.47Å; F72-L114 HydrophobicContact CE1-CD1 3.97Å; F72-L114 HydrophobicContact CE1-CD2 4.02Å; F72-L114 HydrophobicContact CE1-CG 4.24Å; F72-L114 HydrophobicContact CZ-CD1 4.34Å; F72-L114 HydrophobicContact CZ-CD2 4.01Å; I89-L114 HydrophobicContact CB-CG 4.24Å; I89-L114 CarbonylContact O-C 3.56Å; I89-L114 WeakPolarHBondContact O-CA 3.35Å; L95-L114 HydrophobicContact CD2-CB 3.71Å; L95-L114 HydrophobicContact CD2-CD2 4.5Å; V96-L114 VanDerWaalsContact O-CD2 3.26Å; V96-L114 WeakPolarHBondContact O-CD2 3.23Å; P98-L114 HydrophobicContact CB-CD1 4.14Å; P98-L114 HydrophobicContact CG-CD1 4.07Å
115L94.9Very high89.5Confident0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-126.7143.7177.2-176.470.3000109.3V2 C17 I18 L64 I89 V90 S91 D119 M120 I123V2-L115 HydrophobicContact CG1-CD1 4.33Å; C17-L115 WeakPolarHBondContact O-CD1 3.25Å; I18-L115 HydrophobicContact CG2-CB 4.4Å; I18-L115 HydrophobicContact CG2-CD1 3.79Å; L64-L115 HydrophobicContact CD2-CD2 3.91Å; I89-L115 PolarHBondContact O-N 3.49Å; V90-L115 WeakPolarHBondContact CA-O 3.4Å; S91-L115 PolarHBondContact N-O 3.31Å; L115-D119 HydrophobicContact CD1-CB 3.75Å; L115-D119 HydrophobicContact CG-CB 4.07Å; L115-M120 HydrophobicContact CD2-CB 4.07Å; L115-I123 HydrophobicContact CD2-CD1 3.82Å
116S94.8Very high90.2Very high32 Ų3253.7 Ų53.722%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-68.5145.1175.4-176.60000111.2K118 D119 M120S116-K118 PolarHBondContact O-N 3.14Å; S116-K118 PolarHBondContact OG-N 3.35Å; S116-D119 WeakPolarHBondContact CB-OD2 3.24Å; S116-D119 PolarHBondContact O-N 2.94Å; S116-M120 PolarHBondContact O-N 3.22Å; S116-M120 VanDerWaalsContact O-N 3.07Å
117Y92.7Very high90.8Very high71 Ų7147.6 Ų47.628%0.27825%0.245SC..Hα-helixtrans-59.3-34.5174.1-175.5-105.9000112.6V90 S91 R92 M120 L121V90-Y117 HydrophobicContact CG1-CD2 3.86Å; V90-Y117 HydrophobicContact CG1-CG 4.45Å; S91-Y117 PolarHBondContact O-N 3.07Å; R92-Y117 HydrophobicContact CG-CD1 4.29Å; R92-Y117 HydrophobicContact CG-CD2 4.2Å; R92-Y117 HydrophobicContact CG-CG 3.85Å; R92-Y117 PolarHBondContact NH2-OH 2.98Å; Y117-M120 HydrophobicContact CD2-SD 4.45Å; Y117-M120 HydrophobicContact CE2-SD 4.31Å; Y117-M120 PolarHBondContact O-N 2.73Å; Y117-L121 HydrophobicContact CD1-CD1 4.03Å; Y117-L121 HydrophobicContact CD1-CG 4.5Å; Y117-L121 HydrophobicContact CE1-CD1 3.57Å; Y117-L121 HydrophobicContact CE1-CG 4.13Å; Y117-L121 WeakPolarHBondContact O-CG 3.37Å; Y117-L121 PolarHBondContact O-N 3.48Å; Y117-L121 VanDerWaalsContact O-N 3.14Å
118K93Very high91.1Very high167 Ų16743.8 Ų43.873%0.72624%0.236SC*.Hα-helixtrans-63.7-44176.6-65.2-177.9-178.2175.90111.7S116 L121 D122S116-K118 PolarHBondContact O-N 3.14Å; S116-K118 PolarHBondContact OG-N 3.35Å; K118-L121 PolarHBondContact O-N 3.29Å; K118-D122 PolarHBondContact O-N 3.48Å
119D93.4Very high91.1Very high43 Ų4354 Ų5423%0.2327%0.274CS..Hα-helixtrans-66.7-40.5179.5-63.6-25.2000111.7Y16 L115 S116 L121 D122 I123Y16-D119 HydrophobicContact CD1-CB 3.75Å; Y16-D119 HydrophobicContact CE1-CB 4.38Å; L115-D119 HydrophobicContact CD1-CB 3.75Å; L115-D119 HydrophobicContact CG-CB 4.07Å; S116-D119 WeakPolarHBondContact CB-OD2 3.24Å; S116-D119 PolarHBondContact O-N 2.94Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 3Å; D119-D122 PolarHBondContact O-N 3Å; D119-I123 VanDerWaalsContact O-CG1 3.27Å; D119-I123 WeakPolarHBondContact O-CG1 3.38Å; D119-I123 PolarHBondContact O-N 3.43Å
120M93.3Very high91.1Very high7 Ų754.5 Ų54.53%0.03426%0.264CS..Hα-helixtrans-59.2-43.1174.7171.7-93.4-173.300111.8N41 T43 L64 V90 L115 S116 Y117 F124N41-M120 VanDerWaalsContact CG-CE 3.48Å; N41-M120 WeakPolarHBondContact ND2-CE 3.37Å; N41-M120 VanDerWaalsContact OD1-CE 3.31Å; N41-M120 WeakPolarHBondContact OD1-CE 3.39Å; T43-M120 HydrophobicContact CG2-CE 3.59Å; T43-M120 VanDerWaalsContact OG1-CE 3.28Å; T43-M120 WeakPolarHBondContact OG1-CE 3.44Å; L64-M120 HydrophobicContact CD2-CB 4.2Å; L64-M120 HydrophobicContact CD2-CG 3.71Å; V90-M120 HydrophobicContact CG1-CB 4.01Å; V90-M120 HydrophobicContact CG1-CG 4.32Å; V90-M120 HydrophobicContact CG2-CB 4.22Å; V90-M120 HydrophobicContact CG2-CG 4.11Å; L115-M120 HydrophobicContact CD2-CB 4.07Å; S116-M120 PolarHBondContact O-N 3.22Å; S116-M120 VanDerWaalsContact O-N 3.07Å; Y117-M120 HydrophobicContact CD2-SD 4.45Å; Y117-M120 HydrophobicContact CE2-SD 4.31Å; Y117-M120 PolarHBondContact O-N 2.73Å; M120-F124 HydrophobicContact CE-CD2 4.08Å; M120-F124 HydrophobicContact CE-CE2 4.18Å; M120-F124 HydrophobicContact CG-CD2 4.17Å; M120-F124 HydrophobicContact CG-CE2 4.09Å; M120-F124 VanDerWaalsContact O-CD2 3.22Å; M120-F124 WeakPolarHBondContact O-CD2 3.48Å; M120-F124 PolarHBondContact O-N 3.44Å; M120-F124 HydrophobicContact SD-CD2 4.44Å
121L93Very high91.1Very high82 Ų8254 Ų5443%0.42926%0.262SS..Hα-helixtrans-60.9-53174-69.1175.3000110.2Y117 K118 D119 I123 F124 T125Y117-L121 HydrophobicContact CD1-CD1 4.03Å; Y117-L121 HydrophobicContact CD1-CG 4.5Å; Y117-L121 HydrophobicContact CE1-CD1 3.57Å; Y117-L121 HydrophobicContact CE1-CG 4.13Å; Y117-L121 WeakPolarHBondContact O-CG 3.37Å; Y117-L121 PolarHBondContact O-N 3.48Å; Y117-L121 VanDerWaalsContact O-N 3.14Å; K118-L121 PolarHBondContact O-N 3.29Å; D119-L121 VanDerWaalsContact C-N 3.32Å; D119-L121 PolarHBondContact O-N 3Å; L121-I123 VanDerWaalsContact C-N 3.28Å; L121-I123 PolarHBondContact O-N 3.09Å; L121-F124 PolarHBondContact O-N 3.43Å; L121-F124 VanDerWaalsContact O-N 3.1Å; L121-T125 PolarHBondContact O-N 2.93Å; L121-T125 PolarHBondContact O-OG1 2.9Å
122D92.6Very high91.1Very high37 Ų3758.3 Ų58.320%0.19828%0.275CS..Hα-helixtrans-52.7-43.4-179.9-168.750.3000112.2K14 Y16 K118 D119 F124 T125 R126K14-D122 IonicContact NZ-OD2 2.69Å; K14-D122 PolarHBondContact NZ-OD2 3.29Å; Y16-D122 HydrophobicContact CE1-CB 4.13Å; Y16-D122 WeakPolarHBondContact CE1-OD2 3.49Å; Y16-D122 PolarHBondContact OH-OD2 2.87Å; K118-D122 PolarHBondContact O-N 3.48Å; D119-D122 PolarHBondContact O-N 3Å; D122-F124 PolarHBondContact O-N 3.29Å; D122-T125 PolarHBondContact O-N 2.88Å; D122-R126 WeakPolarHBondContact O-CB 3.22Å; D122-R126 WeakPolarHBondContact O-CG 3.35Å; D122-R126 PolarHBondContact O-N 3.29Å; D122-R126 IonicContact OD1-CZ 2.78Å; D122-R126 IonicContact OD1-NE 3.28Å; D122-R126 PolarHBondContact OD1-NE 2.91Å; D122-R126 IonicContact OD1-NH2 3.59Å; D122-R126 PolarHBondContact OD1-NH2 3.42Å; D122-R126 IonicContact OD2-NE 2.75Å; D122-R126 PolarHBondContact OD2-NE 3.48Å
123I92Very high91.2Very high0 Ų058.1 Ų58.10%027%0.274CS..Hα-helixtrans-54.1-55.2175.8-72.6164000111.8V4 Y16 L39 L115 D119 L121 R126 F127 V131V4-I123 HydrophobicContact CG1-CG2 3.92Å; V4-I123 HydrophobicContact CG2-CD1 4.07Å; V4-I123 HydrophobicContact CG2-CG1 4.22Å; Y16-I123 HydrophobicContact CD1-CD1 4.42Å; Y16-I123 HydrophobicContact CD1-CG1 4.21Å; Y16-I123 HydrophobicContact CD2-CD1 3.93Å; Y16-I123 HydrophobicContact CD2-CG1 3.75Å; Y16-I123 HydrophobicContact CE1-CD1 4.49Å; Y16-I123 HydrophobicContact CE1-CG1 3.81Å; Y16-I123 HydrophobicContact CE2-CD1 4.04Å; Y16-I123 HydrophobicContact CE2-CG1 3.32Å; Y16-I123 HydrophobicContact CG-CD1 4.12Å; Y16-I123 HydrophobicContact CG-CG1 4.17Å; L39-I123 HydrophobicContact CD2-CG2 4.32Å; L115-I123 HydrophobicContact CD2-CD1 3.82Å; D119-I123 VanDerWaalsContact O-CG1 3.27Å; D119-I123 WeakPolarHBondContact O-CG1 3.38Å; D119-I123 PolarHBondContact O-N 3.43Å; L121-I123 VanDerWaalsContact C-N 3.28Å; L121-I123 PolarHBondContact O-N 3.09Å; I123-R126 PolarHBondContact O-N 3.41Å; I123-F127 WeakPolarHBondContact O-CB 3.37Å; I123-F127 PolarHBondContact O-N 2.9Å; I123-V131 HydrophobicContact CG2-CG2 4.45Å
124F91Very high91.2Very high37 Ų3758.1 Ų58.116%0.16227%0.274CS..Hα-helixtrans-76.3-26.2-174.5-71-68.6000112.7N41 L64 M120 L121 D122 G128 V131N41-F124 HydrophobicContact CB-CD2 4.39Å; N41-F124 HydrophobicContact CB-CE1 3.98Å; N41-F124 HydrophobicContact CB-CE2 3.71Å; N41-F124 HydrophobicContact CB-CZ 3.51Å; L64-F124 HydrophobicContact CD1-CE2 4.23Å; L64-F124 HydrophobicContact CD1-CZ 3.97Å; L64-F124 HydrophobicContact CD2-CE2 4.16Å; M120-F124 HydrophobicContact CE-CD2 4.08Å; M120-F124 HydrophobicContact CE-CE2 4.18Å; M120-F124 HydrophobicContact CG-CD2 4.17Å; M120-F124 HydrophobicContact CG-CE2 4.09Å; M120-F124 VanDerWaalsContact O-CD2 3.22Å; M120-F124 WeakPolarHBondContact O-CD2 3.48Å; M120-F124 PolarHBondContact O-N 3.44Å; M120-F124 HydrophobicContact SD-CD2 4.44Å; L121-F124 PolarHBondContact O-N 3.43Å; L121-F124 VanDerWaalsContact O-N 3.1Å; D122-F124 PolarHBondContact O-N 3.29Å; F124-G128 WeakPolarHBondContact CD1-O 3.42Å; F124-G128 WeakPolarHBondContact O-CA 3.35Å; F124-G128 PolarHBondContact O-N 3.39Å; F124-V131 HydrophobicContact CD1-CG2 4.45Å; F124-V131 HydrophobicContact CE1-CG2 3.74Å; F124-V131 HydrophobicContact CZ-CG2 4.31Å
125T90.9Very high91.1Very high114 Ų11458.8 Ų58.870%0.69928%0.277SS*.Hα-helixtrans-70.8-41.2171.43.30000112.4L121 D122L121-T125 PolarHBondContact O-N 2.93Å; L121-T125 PolarHBondContact O-OG1 2.9Å; D122-T125 PolarHBondContact O-N 2.88Å
126R88.6Confident90.9Very high163 Ų16359.9 Ų59.962%0.61528%0.281SS*.Hα-helixtrans-81.3-47-177.3-71.5-170.2-168.4-113.4-1.7113.7D122 I123D122-R126 WeakPolarHBondContact O-CB 3.22Å; D122-R126 WeakPolarHBondContact O-CG 3.35Å; D122-R126 PolarHBondContact O-N 3.29Å; D122-R126 IonicContact OD1-CZ 2.78Å; D122-R126 IonicContact OD1-NE 3.28Å; D122-R126 PolarHBondContact OD1-NE 2.91Å; D122-R126 IonicContact OD1-NH2 3.59Å; D122-R126 PolarHBondContact OD1-NH2 3.42Å; D122-R126 IonicContact OD2-NE 2.75Å; D122-R126 PolarHBondContact OD2-NE 3.48Å; I123-R126 PolarHBondContact O-N 3.41Å
127F87.4Confident90.7Very high19 Ų1958.5 Ų58.58%0.08327%0.272CS..Hα-helixtrans-101.7-3.7-170.5-60.6-79.1000113.4V4 K14 Y16 I123 V131V4-F127 HydrophobicContact CB-CE2 4.44Å; V4-F127 HydrophobicContact CG1-CD2 4.06Å; V4-F127 HydrophobicContact CG1-CE2 4.44Å; V4-F127 HydrophobicContact CG1-CG 4.42Å; V4-F127 WeakPolarHBondContact O-CZ 3.07Å; K14-F127 HydrophobicContact CB-CE2 3.94Å; K14-F127 HydrophobicContact CB-CZ 3.71Å; Y16-F127 HydrophobicContact CE2-CE2 4.25Å; I123-F127 WeakPolarHBondContact O-CB 3.37Å; I123-F127 PolarHBondContact O-N 2.9Å; F127-V131 HydrophobicContact CB-CG1 3.35Å; F127-V131 HydrophobicContact CG-CG1 4.42Å
128G85.8Confident90.4Very high32 Ų3257.9 Ų57.933%0.3328%0.277SS..  trans80.2-166.4178.800000113.6F124F124-G128 WeakPolarHBondContact CD1-O 3.42Å; F124-G128 WeakPolarHBondContact O-CA 3.35Å; F124-G128 PolarHBondContact O-N 3.39Å
129R83.4Confident89.8Confident232 Ų23257.5 Ų57.588%0.87528%0.275SS*.SBendtrans-75.8-24.1-172.5-76.5-178.4150.4155.4-4.4114.6
130T84.9Confident88.8Confident71 Ų7164 Ų6444%0.43630%0.304SS..SBendtrans-116.498.7-173.247.70000109.8Q7Q7-T130 VanDerWaalsContact CB-O 3.3Å; Q7-T130 WeakPolarHBondContact CB-O 3.45Å; Q7-T130 PolarHBondContact N-O 2.97Å
131V91.6Very high87.8Confident0 Ų068.4 Ų68.40%033%0.333CS..EExtended strand (participates in β ladder)trans-124.7148.7-172.3-76.80000110.8V4 L39 I123 F124 F127V4-V131 HydrophobicContact CG1-CB 4.01Å; V4-V131 HydrophobicContact CG1-CG1 4.15Å; L39-V131 HydrophobicContact CB-CG2 3.88Å; L39-V131 HydrophobicContact CD2-CG2 4Å; L39-V131 HydrophobicContact CG-CG2 4.2Å; L39-V131 PolarHBondContact N-O 3.25Å; L39-V131 WeakPolarHBondContact O-CG2 3.34Å; I123-V131 HydrophobicContact CG2-CG2 4.45Å; F124-V131 HydrophobicContact CD1-CG2 4.45Å; F124-V131 HydrophobicContact CE1-CG2 3.74Å; F124-V131 HydrophobicContact CZ-CG2 4.31Å; F127-V131 HydrophobicContact CB-CG1 3.35Å; F127-V131 HydrophobicContact CG-CG1 4.42Å
132R91.9Very high86.8Confident114 Ų11471.9 Ų71.943%0.4336%0.357SS..EExtended strand (participates in β ladder)trans-111.9141.9169.3-57.3-176.281.8158.73.1108.7V4 V5 F36 L37V4-R132 WeakPolarHBondContact CA-O 3.42Å; V5-R132 HydrophobicContact CG2-CB 3.92Å; V5-R132 PolarHBondContact N-O 3.3Å; V5-R132 PolarHBondContact O-N 3.26Å; F36-R132 HydrophobicContact CD1-CB 4.45Å; F36-R132 PolarHBondContact O-NH2 3.23Å; L37-R132 CarbonylContact O-C 3.57Å; L37-R132 VanDerWaalsContact O-CA 3.23Å; L37-R132 WeakPolarHBondContact O-CA 3.43Å
133A92.7Very high85.8Confident0 Ų075.1 Ų75.10%037%0.374CS..EExtended strand (participates in β ladder)trans-134.2147.9-179.300000111.6V2 H3 V4 L37 L39V2-A133 HydrophobicContact CG2-CB 3.76Å; H3-A133 CarbonylContact O-C 3.51Å; H3-A133 WeakPolarHBondContact O-CA 3.31Å; V4-A133 HydrophobicContact CG2-CB 4.23Å; L37-A133 PolarHBondContact N-O 3.15Å; L37-A133 PolarHBondContact O-N 3.41Å; L39-A133 HydrophobicContact CB-CB 3.79Å; L39-A133 HydrophobicContact CD1-CB 4.11Å; L39-A133 HydrophobicContact CD2-CB 3.88Å; L39-A133 HydrophobicContact CG-CB 4.13Å
134A92.5Very high85.2Confident0 Ų078.9 Ų78.90%039%0.394CS..EExtended strand (participates in β ladder)trans-127128173.400000108.7V2 H3 L31 A34 F36V2-A134 WeakPolarHBondContact CA-O 3.49Å; H3-A134 PolarHBondContact N-O 3.32Å; H3-A134 PolarHBondContact O-N 2.53Å; L31-A134 HydrophobicContact CD1-CB 4.02Å; A34-A134 HydrophobicContact CB-CB 3.83Å; F36-A134 HydrophobicContact CD1-CB 3.97Å; F36-A134 HydrophobicContact CD2-CB 4.18Å; F36-A134 HydrophobicContact CE1-CB 3.93Å; F36-A134 HydrophobicContact CE2-CB 4.13Å; F36-A134 HydrophobicContact CG-CB 4.11Å; F36-A134 HydrophobicContact CZ-CB 4.02Å
135L91.9Very high84.9Confident13 Ų1385.1 Ų85.17%0.06842%0.418CS..EExtended strand (participates in β ladder)trans-92.2130.3174.6-66.288.5000109V2 I18 L27 I62 L88 A113V2-L135 HydrophobicContact CG2-CG 4.43Å; I18-L135 HydrophobicContact CD1-CD2 3.82Å; I18-L135 HydrophobicContact CD1-CG 4.24Å; L27-L135 HydrophobicContact CD1-CB 4.3Å; L27-L135 HydrophobicContact CD2-CB 3.47Å; L27-L135 VanDerWaalsContact CD2-CB 3.47Å; L27-L135 HydrophobicContact CD2-CD2 4.38Å; I62-L135 HydrophobicContact CD1-CD1 3.46Å; I62-L135 VanDerWaalsContact CD1-CD1 3.46Å; I62-L135 HydrophobicContact CG1-CD1 4.4Å; L88-L135 HydrophobicContact CD2-CD2 3.95Å; A113-L135 HydrophobicContact CB-CD2 4.35Å
136Y92Very high84.7Confident23 Ų2384.1 Ų84.19%0.0941%0.408CS..  trans-145.9155.4175.675.2-78.1000110.2M1 H3 D15 P28 L31 P138M1-Y136 HydrophobicContact CB-CD1 4.28Å; M1-Y136 HydrophobicContact CB-CE1 3.74Å; M1-Y136 HydrophobicContact CB-CE2 4.43Å; M1-Y136 PolarHBondContact N-O 3.46Å; M1-Y136 PolarHBondContact O-N 2.87Å; M1-Y136 HydrophobicContact SD-CE2 4.5Å; H3-Y136 HydrophobicContact CB-CD1 4.44Å; H3-Y136 HydrophobicContact CB-CE1 4.02Å; D15-Y136 VanDerWaalsContact CG-OH 3.23Å; D15-Y136 WeakPolarHBondContact OD1-CE1 3.2Å; D15-Y136 PolarHBondContact OD1-OH 3.33Å; D15-Y136 PolarHBondContact OD2-OH 2.89Å; P28-Y136 CarbonylContact O-C 3.56Å; P28-Y136 VanDerWaalsContact O-CA 3.25Å; P28-Y136 WeakPolarHBondContact O-CA 3.47Å; P28-Y136 WeakPolarHBondContact O-CB 3.46Å; L31-Y136 HydrophobicContact CD1-CD1 3.86Å; L31-Y136 HydrophobicContact CD1-CE1 4.07Å; Y136-P138 HydrophobicContact CD2-CB 4.45Å; Y136-P138 HydrophobicContact CD2-CG 4.39Å; Y136-P138 HydrophobicContact CE2-CB 4.11Å; Y136-P138 HydrophobicContact CE2-CG 3.97Å
137A90.8Very high84.7Confident4 Ų481.9 Ų81.93%0.03341%0.406CS..  trans-12289.5-178.700000109.5Y20 L27 P28 H29 K139Y20-A137 HydrophobicContact CE1-CB 3.88Å; Y20-A137 WeakPolarHBondContact OH-CB 3.44Å; L27-A137 HydrophobicContact CB-CB 3.85Å; L27-A137 HydrophobicContact CD1-CB 4.45Å; P28-A137 PolarHBondContact O-N 3.26Å; H29-A137 WeakPolarHBondContact CA-O 3.49Å; H29-A137 PolarHBondContact ND1-O 2.9Å; A137-K139 PolarHBondContact O-N 2.96Å
138P85.4Confident84.8Confident57 Ų5783.2 Ų83.237%0.3742%0.416SS..PPolyproline II helixtrans-59.2143.1178.825.2-30.9000109.8M1 Y136 E140M1-P138 HydrophobicContact CE-CG 4.05Å; M1-P138 HydrophobicContact CG-CG 4.25Å; M1-P138 HydrophobicContact SD-CG 3.89Å; Y136-P138 HydrophobicContact CD2-CB 4.45Å; Y136-P138 HydrophobicContact CD2-CG 4.39Å; Y136-P138 HydrophobicContact CE2-CB 4.11Å; Y136-P138 HydrophobicContact CE2-CG 3.97Å; P138-E140 PolarHBondContact O-N 2.92Å
139K79.7Confident85.1Confident160 Ų16084.2 Ų84.270%0.69641%0.413SS*.PPolyproline II helixtrans-65.9127176.6-70.9-175.1178.9-178.10109H29 A137H29-K139 HydrophobicContact CB-CG 4.49Å; A137-K139 PolarHBondContact O-N 2.96Å
140E72.6Confident85.4Confident180 Ų18078.2 Ų78.284%0.84140%0.397SS*.PPolyproline II helixtrans-65.3125.9170-66.2179.9-174.900108.5P138 V142P138-E140 PolarHBondContact O-N 2.92Å; E140-V142 PolarHBondContact O-N 2.94Å
141P73.9Confident85.8Confident99 Ų9981.5 Ų81.564%0.64341%0.406SS*.PPolyproline II helixtrans-64.1130.417426.1-31.7000108.9L143P141-L143 PolarHBondContact O-N 3.5Å; P141-L143 VanDerWaalsContact O-N 3.15Å
142V71.9Confident85.9Confident154 Ų15486.7 Ų86.793%0.93343%0.432SS*.SBendtrans-63-19.7179.1-67.80000113.3E140E140-V142 PolarHBondContact O-N 2.94Å
143L71.3Confident85.9Confident105 Ų10586.3 Ų86.355%0.5544%0.437SS..SBendtrans-136.6102.5178-166.387.5000108.7P141 M147 V148P141-L143 PolarHBondContact O-N 3.5Å; P141-L143 VanDerWaalsContact O-N 3.15Å; L143-M147 HydrophobicContact CD1-CE 3.64Å; L143-V148 HydrophobicContact CD1-CG2 4.26Å; L143-V148 HydrophobicContact CD2-CG2 3.48Å; L143-V148 VanDerWaalsContact CD2-CG2 3.48Å; L143-V148 HydrophobicContact CG-CG2 3.79Å
144D79.6Confident85.9Confident80 Ų8088.9 Ų88.943%0.42846%0.458SS..  trans-73.5136.2170.4-169.2-14.2000109.2N146 M147 V148D144-N146 PolarHBondContact O-N 2.9Å; D144-N146 PolarHBondContact OD1-N 3.28Å; D144-N146 VanDerWaalsContact OD1-N 3.08Å; D144-N146 PolarHBondContact OD2-ND2 3.24Å; D144-M147 WeakPolarHBondContact O-CB 3.34Å; D144-M147 PolarHBondContact O-N 2.95Å; D144-V148 PolarHBondContact O-N 3.33Å
145Y84.6Confident86Confident168 Ų16892.5 Ų92.566%0.65948%0.48SS*.Hα-helixtrans-56-34.4174.3178.9-112.9000111.5M147 V148 I149Y145-M147 VanDerWaalsContact C-N 3.27Å; Y145-M147 PolarHBondContact O-N 2.74Å; Y145-V148 WeakPolarHBondContact O-CB 3.33Å; Y145-V148 PolarHBondContact O-N 3.5Å; Y145-V148 VanDerWaalsContact O-N 3.12Å; Y145-I149 HydrophobicContact CD1-CD1 3.41Å; Y145-I149 VanDerWaalsContact CD1-CD1 3.41Å; Y145-I149 HydrophobicContact CD1-CG1 4.08Å; Y145-I149 HydrophobicContact CD2-CG1 4.48Å; Y145-I149 HydrophobicContact CE1-CD1 3.05Å; Y145-I149 HydrophobicContact CE1-CG1 3.71Å; Y145-I149 HydrophobicContact CE2-CD1 4.36Å; Y145-I149 HydrophobicContact CE2-CG1 4.11Å; Y145-I149 HydrophobicContact CG-CD1 4.21Å; Y145-I149 HydrophobicContact CG-CG1 4.45Å; Y145-I149 WeakPolarHBondContact O-CG1 3.42Å; Y145-I149 PolarHBondContact O-N 3.17Å
146N87.1Confident86.1Confident92 Ų9293.2 Ų93.249%0.49249%0.49SS..Hα-helixtrans-57.1-41.1174.1-69.2-28.2000112.1D144 V148 I149 I150D144-N146 PolarHBondContact O-N 2.9Å; D144-N146 PolarHBondContact OD1-N 3.28Å; D144-N146 VanDerWaalsContact OD1-N 3.08Å; D144-N146 PolarHBondContact OD2-ND2 3.24Å; N146-V148 VanDerWaalsContact C-N 3.34Å; N146-V148 PolarHBondContact O-N 2.77Å; N146-I149 PolarHBondContact O-N 3.28Å; N146-I150 WeakPolarHBondContact O-CD1 3.18Å; N146-I150 VanDerWaalsContact O-CG1 3.25Å; N146-I150 WeakPolarHBondContact O-CG1 3.45Å; N146-I150 PolarHBondContact O-N 3.37Å
147M87.2Confident86Confident117 Ų11796.9 Ų96.958%0.57652%0.515SS*.Hα-helixtrans-65.3-40.2178.4-162.9-17895.500111.2L143 D144 Y145 I150 F151L143-M147 HydrophobicContact CD1-CE 3.64Å; D144-M147 WeakPolarHBondContact O-CB 3.34Å; D144-M147 PolarHBondContact O-N 2.95Å; Y145-M147 VanDerWaalsContact C-N 3.27Å; Y145-M147 PolarHBondContact O-N 2.74Å; M147-I150 PolarHBondContact O-N 3.07Å; M147-F151 VanDerWaalsContact O-CB 3.32Å; M147-F151 WeakPolarHBondContact O-CB 3.46Å; M147-F151 PolarHBondContact O-N 2.89Å
148V90.4Very high86.1Confident46 Ų46102 Ų10228%0.27955%0.546SS..Hα-helixtrans-64.7-45.5176.9-178.70000111.1L143 D144 Y145 N146 F151 I152L143-V148 HydrophobicContact CD1-CG2 4.26Å; L143-V148 HydrophobicContact CD2-CG2 3.48Å; L143-V148 VanDerWaalsContact CD2-CG2 3.48Å; L143-V148 HydrophobicContact CG-CG2 3.79Å; D144-V148 PolarHBondContact O-N 3.33Å; Y145-V148 WeakPolarHBondContact O-CB 3.33Å; Y145-V148 PolarHBondContact O-N 3.5Å; Y145-V148 VanDerWaalsContact O-N 3.12Å; N146-V148 VanDerWaalsContact C-N 3.34Å; N146-V148 PolarHBondContact O-N 2.77Å; V148-F151 PolarHBondContact O-N 2.75Å; V148-I152 HydrophobicContact CG1-CD1 3.94Å; V148-I152 WeakPolarHBondContact O-CG1 3.46Å; V148-I152 PolarHBondContact O-N 3.36Å
149I91.1Very high86.4Confident53 Ų53102.2 Ų102.227%0.27255%0.553SS.*Hα-helixtrans-61.2-48.5177.9-63164.7000110.5Y145 N146 F151 I152 M153Y145-I149 HydrophobicContact CD1-CD1 3.41Å; Y145-I149 VanDerWaalsContact CD1-CD1 3.41Å; Y145-I149 HydrophobicContact CD1-CG1 4.08Å; Y145-I149 HydrophobicContact CD2-CG1 4.48Å; Y145-I149 HydrophobicContact CE1-CD1 3.05Å; Y145-I149 HydrophobicContact CE1-CG1 3.71Å; Y145-I149 HydrophobicContact CE2-CD1 4.36Å; Y145-I149 HydrophobicContact CE2-CG1 4.11Å; Y145-I149 HydrophobicContact CG-CD1 4.21Å; Y145-I149 HydrophobicContact CG-CG1 4.45Å; Y145-I149 WeakPolarHBondContact O-CG1 3.42Å; Y145-I149 PolarHBondContact O-N 3.17Å; N146-I149 PolarHBondContact O-N 3.28Å; I149-F151 VanDerWaalsContact C-N 3.28Å; I149-F151 PolarHBondContact O-N 3.38Å; I149-I152 PolarHBondContact O-N 3.27Å; I149-M153 HydrophobicContact CG2-CE 3.88Å; I149-M153 HydrophobicContact CG2-CG 4.24Å; I149-M153 HydrophobicContact CG2-SD 4.15Å; I149-M153 WeakPolarHBondContact O-CB 3.25Å; I149-M153 WeakPolarHBondContact O-CG 3.35Å; I149-M153 PolarHBondContact O-N 3.39Å
150I90.5Very high86.9Confident106 Ų10699.8 Ų99.854%0.54455%0.546SS..Hα-helixtrans-60.8-40.5179.5-66.7165.6000110.7N146 M147 M153 A154N146-I150 WeakPolarHBondContact O-CD1 3.18Å; N146-I150 VanDerWaalsContact O-CG1 3.25Å; N146-I150 WeakPolarHBondContact O-CG1 3.45Å; N146-I150 PolarHBondContact O-N 3.37Å; M147-I150 PolarHBondContact O-N 3.07Å; I150-M153 HydrophobicContact CG1-CE 4.09Å; I150-M153 PolarHBondContact O-N 3.17Å; I150-A154 VanDerWaalsContact O-CB 3.31Å; I150-A154 WeakPolarHBondContact O-CB 3.32Å; I150-A154 PolarHBondContact O-N 2.88Å
151F92.3Very high87.6Confident140 Ų14093.2 Ų93.261%0.61453%0.526SS*.Hα-helixtrans-61.1-49.5175.9178.6-98.8000112.2M147 V148 I149 M153 A154 V155M147-F151 VanDerWaalsContact O-CB 3.32Å; M147-F151 WeakPolarHBondContact O-CB 3.46Å; M147-F151 PolarHBondContact O-N 2.89Å; V148-F151 PolarHBondContact O-N 2.75Å; I149-F151 VanDerWaalsContact C-N 3.28Å; I149-F151 PolarHBondContact O-N 3.38Å; F151-M153 VanDerWaalsContact C-N 3.34Å; F151-M153 PolarHBondContact O-N 3.25Å; F151-A154 PolarHBondContact O-N 3.25Å; F151-V155 HydrophobicContact CD1-CG2 4.41Å; F151-V155 HydrophobicContact CD2-CG2 4.31Å; F151-V155 HydrophobicContact CE1-CG2 4Å; F151-V155 HydrophobicContact CE2-CG2 3.9Å; F151-V155 HydrophobicContact CZ-CG2 3.73Å; F151-V155 WeakPolarHBondContact O-CG2 3.07Å; F151-V155 PolarHBondContact O-N 3.39Å
152I94.9Very high88.1Confident109 Ų10990.7 Ų90.756%0.55952%0.519SS*.Hα-helixtrans-61.8-43.1178.3-67.6171000110.7V148 I149 A154 G156V148-I152 HydrophobicContact CG1-CD1 3.94Å; V148-I152 WeakPolarHBondContact O-CG1 3.46Å; V148-I152 PolarHBondContact O-N 3.36Å; I149-I152 PolarHBondContact O-N 3.27Å; I152-A154 PolarHBondContact O-N 3.03Å; I152-G156 PolarHBondContact O-N 3.46Å
153M92.2Very high88.9Confident107 Ų10792 Ų9253%0.52751%0.508SS..Hα-helixtrans-61.3-43.3176-72.5-168.7-57.600111.8I149 I150 F151 T157I149-M153 HydrophobicContact CG2-CE 3.88Å; I149-M153 HydrophobicContact CG2-CG 4.24Å; I149-M153 HydrophobicContact CG2-SD 4.15Å; I149-M153 WeakPolarHBondContact O-CB 3.25Å; I149-M153 WeakPolarHBondContact O-CG 3.35Å; I149-M153 PolarHBondContact O-N 3.39Å; I150-M153 HydrophobicContact CG1-CE 4.09Å; I150-M153 PolarHBondContact O-N 3.17Å; F151-M153 VanDerWaalsContact C-N 3.34Å; F151-M153 PolarHBondContact O-N 3.25Å; M153-T157 VanDerWaalsContact O-CB 3.28Å; M153-T157 WeakPolarHBondContact O-CB 3.25Å; M153-T157 PolarHBondContact O-N 3.22Å; M153-T157 PolarHBondContact O-OG1 2.64Å
154A92.2Very high89.4Confident53 Ų5395.1 Ų95.144%0.43851%0.513SS..Hα-helixtrans-64.5-52.6179.500000111.6I150 F151 I152 G156 T157 V158I150-A154 VanDerWaalsContact O-CB 3.31Å; I150-A154 WeakPolarHBondContact O-CB 3.32Å; I150-A154 PolarHBondContact O-N 2.88Å; F151-A154 PolarHBondContact O-N 3.25Å; I152-A154 PolarHBondContact O-N 3.03Å; A154-G156 VanDerWaalsContact C-N 3.34Å; A154-G156 PolarHBondContact O-N 3.43Å; A154-T157 PolarHBondContact O-N 3.3Å; A154-V158 WeakPolarHBondContact O-CG2 3.4Å; A154-V158 PolarHBondContact O-N 2.91Å
155V95.4Very high89.3Confident76 Ų7693.9 Ų93.946%0.46151%0.513SS..Hα-helixtrans-62.4-43179.3175.90000110.9F151 T157 V158 A159F151-V155 HydrophobicContact CD1-CG2 4.41Å; F151-V155 HydrophobicContact CD2-CG2 4.31Å; F151-V155 HydrophobicContact CE1-CG2 4Å; F151-V155 HydrophobicContact CE2-CG2 3.9Å; F151-V155 HydrophobicContact CZ-CG2 3.73Å; F151-V155 WeakPolarHBondContact O-CG2 3.07Å; F151-V155 PolarHBondContact O-N 3.39Å; V155-T157 PolarHBondContact O-N 2.91Å; V155-V158 PolarHBondContact O-N 3.27Å; V155-A159 WeakPolarHBondContact O-CB 3.27Å; V155-A159 PolarHBondContact O-N 2.93Å
156G94.1Very high89Confident28 Ų2887.5 Ų87.529%0.28950%0.499SS..Hα-helixtrans-60.5-44.5175.900000112.4I152 A154 A159 I160I152-G156 PolarHBondContact O-N 3.46Å; A154-G156 VanDerWaalsContact C-N 3.34Å; A154-G156 PolarHBondContact O-N 3.43Å; G156-A159 PolarHBondContact O-N 3.1Å; G156-I160 WeakPolarHBondContact O-CB 3.43Å; G156-I160 WeakPolarHBondContact O-CD1 3.35Å; G156-I160 VanDerWaalsContact O-CG1 3.22Å; G156-I160 WeakPolarHBondContact O-CG1 3.4Å; G156-I160 PolarHBondContact O-N 3.15Å
157T89.9Confident88.6Confident100 Ų10085.9 Ų85.961%0.61350%0.495SS*.Hα-helixtrans-62.8-44.4177.8-58.30000111.5M153 A154 V155 G161M153-T157 VanDerWaalsContact O-CB 3.28Å; M153-T157 WeakPolarHBondContact O-CB 3.25Å; M153-T157 PolarHBondContact O-N 3.22Å; M153-T157 PolarHBondContact O-OG1 2.64Å; A154-T157 PolarHBondContact O-N 3.3Å; V155-T157 PolarHBondContact O-N 2.91Å; T157-G161 PolarHBondContact O-N 3.21Å
158V91.8Very high87.9Confident111 Ų11188.7 Ų88.767%0.67350%0.499SS*.Hα-helixtrans-64.9-44.6177.5172.90000111.2A154 V155 G161 G162A154-V158 WeakPolarHBondContact O-CG2 3.4Å; A154-V158 PolarHBondContact O-N 2.91Å; V155-V158 PolarHBondContact O-N 3.27Å; V158-G161 PolarHBondContact O-N 3.34Å; V158-G162 PolarHBondContact O-N 3.41Å
159A92.6Very high87Confident63 Ų6390.6 Ų90.652%0.52151%0.508SS..Hα-helixtrans-63.4-47.1179.300000112.1V155 G156 G162 Y163V155-A159 WeakPolarHBondContact O-CB 3.27Å; V155-A159 PolarHBondContact O-N 2.93Å; G156-A159 PolarHBondContact O-N 3.1Å; A159-G162 PolarHBondContact O-N 3.38Å; A159-Y163 WeakPolarHBondContact O-CB 3.49Å; A159-Y163 PolarHBondContact O-N 3.39Å
160I90.1Very high86.1Confident109 Ų10992.2 Ų92.256%0.55952%0.52SS*.Hα-helixtrans-65.3-43.3177.5-65.9166.3000110.4G156 Y163 W164G156-I160 WeakPolarHBondContact O-CB 3.43Å; G156-I160 WeakPolarHBondContact O-CD1 3.35Å; G156-I160 VanDerWaalsContact O-CG1 3.22Å; G156-I160 WeakPolarHBondContact O-CG1 3.4Å; G156-I160 PolarHBondContact O-N 3.15Å; I160-Y163 PolarHBondContact O-N 2.94Å; I160-W164 WeakPolarHBondContact O-CB 3.3Å; I160-W164 PolarHBondContact O-N 3.4Å
161G85.9Confident85.2Confident41 Ų4194.3 Ų94.342%0.42353%0.525SS..Hα-helixtrans-60.7-46.8177.200000112.3T157 V158 W164 A165T157-G161 PolarHBondContact O-N 3.21Å; V158-G161 PolarHBondContact O-N 3.34Å; G161-W164 PolarHBondContact O-N 3.28Å; G161-A165 WeakPolarHBondContact O-CB 3.42Å; G161-A165 PolarHBondContact O-N 2.96Å
162G85.9Confident84Confident47 Ų4794.4 Ų94.449%0.48553%0.525SS..Hα-helixtrans-63.4-44.8176.400000112.6V158 A159 W164 A165 G166V158-G162 PolarHBondContact O-N 3.41Å; A159-G162 PolarHBondContact O-N 3.38Å; G162-W164 PolarHBondContact O-N 2.9Å; G162-A165 PolarHBondContact O-N 2.89Å; G162-G166 PolarHBondContact O-N 3.01Å
163Y87.4Confident82.6Confident182 Ų18295.9 Ų95.971%0.71452%0.524SS*.Hα-helixtrans-61.3-44.8176178.5-97.9000112.1A159 I160 G166 S167A159-Y163 WeakPolarHBondContact O-CB 3.49Å; A159-Y163 PolarHBondContact O-N 3.39Å; I160-Y163 PolarHBondContact O-N 2.94Å; Y163-G166 PolarHBondContact O-N 2.93Å; Y163-S167 VanDerWaalsContact O-CB 3.3Å; Y163-S167 WeakPolarHBondContact O-CB 3.3Å; Y163-S167 PolarHBondContact O-N 2.96Å
164W82.5Confident81.4Confident169 Ų16998.2 Ų98.264%0.6453%0.528SS*.Hα-helixtrans-66.1-44.4179.8-158.1-37.1000111.3I160 G161 G162 G166 S167 R168I160-W164 WeakPolarHBondContact O-CB 3.3Å; I160-W164 PolarHBondContact O-N 3.4Å; G161-W164 PolarHBondContact O-N 3.28Å; G162-W164 PolarHBondContact O-N 2.9Å; W164-G166 PolarHBondContact O-N 3.18Å; W164-S167 PolarHBondContact O-N 2.77Å; W164-R168 PolarHBondContact O-N 2.8Å
165A77.8Confident80Confident54 Ų54101.2 Ų101.245%0.44653%0.534SS..Hα-helixtrans-56.4-51.817600000110.9G161 G162 S167 R168 D169G161-A165 WeakPolarHBondContact O-CB 3.42Å; G161-A165 PolarHBondContact O-N 2.96Å; G162-A165 PolarHBondContact O-N 2.89Å; A165-S167 PolarHBondContact O-N 3.45Å; A165-R168 PolarHBondContact O-N 3.45Å; A165-D169 PolarHBondContact O-N 2.95Å
166G78.6Confident78.4Confident35 Ų35104.8 Ų104.836%0.36154%0.544SS..Hα-helixtrans-62.1-42178.400000113.7G162 Y163 W164 R168 D169 V170G162-G166 PolarHBondContact O-N 3.01Å; Y163-G166 PolarHBondContact O-N 2.93Å; W164-G166 PolarHBondContact O-N 3.18Å; G166-R168 PolarHBondContact O-N 3.15Å; G166-D169 PolarHBondContact O-N 3.21Å; G166-V170 WeakPolarHBondContact O-CG2 3.18Å; G166-V170 PolarHBondContact O-N 2.92Å
167S78.4Confident76.8Confident58 Ų58110.2 Ų110.241%0.40656%0.561SS.*Hα-helixtrans-64.9-37.1179.3-173.30000112.7Y163 W164 A165 K171Y163-S167 VanDerWaalsContact O-CB 3.3Å; Y163-S167 WeakPolarHBondContact O-CB 3.3Å; Y163-S167 PolarHBondContact O-N 2.96Å; W164-S167 PolarHBondContact O-N 2.77Å; A165-S167 PolarHBondContact O-N 3.45Å; S167-K171 WeakPolarHBondContact O-CB 3.42Å; S167-K171 PolarHBondContact O-N 3.29Å
168R71.9Confident75.3Confident175 Ų175113 Ų11366%0.6657%0.565SS**Hα-helixtrans-65.3-39.5174.3-79.6177.872.9179.9-0.2111.8W164 A165 G166 K171 K172W164-R168 PolarHBondContact O-N 2.8Å; A165-R168 PolarHBondContact O-N 3.45Å; G166-R168 PolarHBondContact O-N 3.15Å; R168-K171 PolarHBondContact O-N 3.35Å; R168-K172 VanDerWaalsContact O-CB 3.29Å; R168-K172 WeakPolarHBondContact O-CB 3.19Å; R168-K172 PolarHBondContact O-N 2.91Å
169D72Confident73.7Confident87 Ų87118.7 Ų118.747%0.46557%0.574SS.*Hα-helixtrans-68.7-40.3178.7-72.1-21.7000112.1A165 G166 K172 R173A165-D169 PolarHBondContact O-N 2.95Å; G166-D169 PolarHBondContact O-N 3.21Å; D169-K172 PolarHBondContact O-N 3.49Å; D169-R173 WeakPolarHBondContact O-CB 3.49Å; D169-R173 WeakPolarHBondContact O-CG 3.28Å; D169-R173 PolarHBondContact O-N 3.48Å
170V71.9Confident71.9Confident87 Ų87119.9 Ų119.953%0.52757%0.572SS.*Hα-helixtrans-63.3-45.3173.8174.30000110.9G166 K172 R173 Y174G166-V170 WeakPolarHBondContact O-CG2 3.18Å; G166-V170 PolarHBondContact O-N 2.92Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 3.5Å; V170-R173 PolarHBondContact O-N 3.48Å; V170-Y174 WeakPolarHBondContact O-CB 3.35Å; V170-Y174 PolarHBondContact O-N 2.85Å
171K70.4Confident70.1Confident149 Ų149122.9 Ų122.965%0.64859%0.589SS**Hα-helixtrans-64.6-37.2177.9-170.3174.3-176.4175.70112.5S167 R168 M175S167-K171 WeakPolarHBondContact O-CB 3.42Å; S167-K171 PolarHBondContact O-N 3.29Å; R168-K171 PolarHBondContact O-N 3.35Å; K171-M175 WeakPolarHBondContact O-CB 3.46Å; K171-M175 WeakPolarHBondContact O-CG 3.38Å; K171-M175 PolarHBondContact O-N 3.48Å
172K67.6Low68.5Low142 Ų142122.8 Ų122.862%0.61759%0.588SS**Hα-helixtrans-67.1-44.5176.2-166.7-176.3177.8-163.10110.7R168 D169 V170 M175 K176R168-K172 VanDerWaalsContact O-CB 3.29Å; R168-K172 WeakPolarHBondContact O-CB 3.19Å; R168-K172 PolarHBondContact O-N 2.91Å; D169-K172 PolarHBondContact O-N 3.49Å; V170-K172 VanDerWaalsContact C-N 3.34Å; V170-K172 PolarHBondContact O-N 3.5Å; K172-M175 PolarHBondContact O-N 3.49Å; K172-K176 WeakPolarHBondContact O-CB 3.19Å; K172-K176 PolarHBondContact O-N 2.78Å
173R66.5Low66.7Low140 Ų140127.1 Ų127.153%0.52861%0.608SS.*Hα-helixtrans-62.4-45.3174.3-75.6-169.9-81.4175.2-5.6112.3D169 V170 M175 K176 H177D169-R173 WeakPolarHBondContact O-CB 3.49Å; D169-R173 WeakPolarHBondContact O-CG 3.28Å; D169-R173 PolarHBondContact O-N 3.48Å; V170-R173 PolarHBondContact O-N 3.48Å; R173-M175 PolarHBondContact O-N 3.41Å; R173-K176 PolarHBondContact O-N 3.28Å; R173-H177 WeakPolarHBondContact O-CB 3.5Å; R173-H177 PolarHBondContact O-N 3.42Å
174Y65.6Low64.4Low156 Ų156126.6 Ų126.661%0.61261%0.612SS**Hα-helixtrans-61.7-42.7176.2-175.1-96.6000112.8V170 H177 K178V170-Y174 WeakPolarHBondContact O-CB 3.35Å; V170-Y174 PolarHBondContact O-N 2.85Å; Y174-H177 PolarHBondContact O-N 3.06Å; Y174-K178 PolarHBondContact O-N 3.38Å; Y174-K178 VanDerWaalsContact O-N 3.1Å
175M64.4Low62.4Low116 Ų116127.8 Ų127.857%0.57162%0.622SS**Hα-helixtrans-70.3-29.7176.2-76.5-71.4-8100113.2K171 K172 R173 R179K171-M175 WeakPolarHBondContact O-CB 3.46Å; K171-M175 WeakPolarHBondContact O-CG 3.38Å; K171-M175 PolarHBondContact O-N 3.48Å; K172-M175 PolarHBondContact O-N 3.49Å; R173-M175 PolarHBondContact O-N 3.41Å; M175-R179 PolarHBondContact O-N 2.63Å
176K61.3Low60.7Low152 Ų152131.6 Ų131.666%0.66163%0.63SS**Hα-helixtrans-69.4-45173.8-159.6-179.7-179.5-1690110.2K172 R173 K178 R179 D180K172-K176 WeakPolarHBondContact O-CB 3.19Å; K172-K176 PolarHBondContact O-N 2.78Å; R173-K176 PolarHBondContact O-N 3.28Å; K176-K178 VanDerWaalsContact C-N 3.27Å; K176-K178 PolarHBondContact O-N 2.69Å; K176-R179 PolarHBondContact O-N 2.92Å; K176-R179 VanDerWaalsContact O-N 3.08Å; K176-D180 PolarHBondContact O-N 2.94Å
177H60.3Low58.8Low141 Ų141138.3 Ų138.365%0.65365%0.652SS**Hα-helixtrans-64.8-26.5176.8-155.5-47.6000113.7R173 Y174 R179R173-H177 WeakPolarHBondContact O-CB 3.5Å; R173-H177 PolarHBondContact O-N 3.42Å; Y174-H177 PolarHBondContact O-N 3.06Å; H177-R179 VanDerWaalsContact C-N 3.34Å
178K58Low57Low159 Ų159140 Ų14069%0.69166%0.656SS**THydrogen-bonded Turntrans-83.3-8.1175.5-153.9179.6-178.6176.20113.7Y174 K176Y174-K178 PolarHBondContact O-N 3.38Å; Y174-K178 VanDerWaalsContact O-N 3.1Å; K176-K178 VanDerWaalsContact C-N 3.27Å; K176-K178 PolarHBondContact O-N 2.69Å
179R58.7Low55.6Low230 Ų230140.2 Ų140.287%0.86867%0.665SS**THydrogen-bonded Turntrans-111.4-9.1-176.7-128.1177.7178.4-177.3-3.2113.4M175 K176 H177M175-R179 PolarHBondContact O-N 2.63Å; K176-R179 PolarHBondContact O-N 2.92Å; K176-R179 VanDerWaalsContact O-N 3.08Å; H177-R179 VanDerWaalsContact C-N 3.34Å
180D53.9Low54.3Low88 Ų88139.1 Ų139.147%0.47167%0.668SS.*  trans-13691.1-172.6-127.6-4.5000109.3K176 G182K176-D180 PolarHBondContact O-N 2.94Å; D180-G182 VanDerWaalsContact C-N 3.26Å; D180-G182 PolarHBondContact O-N 3.5Å
181D53.5Low53.2Low172 Ų172140.4 Ų140.492%0.9268%0.676SS**  trans-91.763161.1-85.7-46.7000108.1
182G51.3Low52Low39 Ų39139.6 Ų139.640%0.40268%0.679SS.*SBendtrans-149.8141.4176.400000110.2D180 E184D180-G182 VanDerWaalsContact C-N 3.26Å; D180-G182 PolarHBondContact O-N 3.5Å; G182-E184 PolarHBondContact O-N 3.34Å
183P48.9Very low51.7Low139 Ų139138.4 Ų138.490%0.90368%0.683SS**  trans-83.484.4-168.234.6-32.3000110.1
184E39Very low52.3Low171 Ų171134.7 Ų134.780%0.79968%0.676SS**  trans-112.7123.8164.2-68-156.9153.200110.5G182 Q186G182-E184 PolarHBondContact O-N 3.34Å; E184-Q186 PolarHBondContact O-N 3.49Å
185K41.4Very low53.1Low194 Ų194132.3 Ų132.384%0.84368%0.68SS**  trans-47.4122.3-176.6-75.3170.5174.5174.50110.6E187K185-E187 VanDerWaalsContact C-N 3.29Å; K185-E187 PolarHBondContact O-N 2.98Å
186Q40.7Very low54.1Low133 Ų133131.4 Ų131.462%0.62168%0.68SS**  trans-65.290.9165.8-175.5169-9.400108.5E184 D188E184-Q186 PolarHBondContact O-N 3.49Å; Q186-D188 VanDerWaalsContact C-N 3.33Å; Q186-D188 PolarHBondContact NE2-OD1 3.24Å; Q186-D188 PolarHBondContact O-N 3.12Å
187E38.6Very low55.2Low176 Ų176129.8 Ų129.882%0.82268%0.677SS**  trans-74.698.3154.2-62.5-174.6-156.700105.5K185 E189K185-E187 VanDerWaalsContact C-N 3.29Å; K185-E187 PolarHBondContact O-N 2.98Å; E187-E189 PolarHBondContact O-N 3.08Å
188D40.7Very low56.5Low93 Ų93126.3 Ų126.350%0.49767%0.665SS.*  trans-55.7106.2168-77.8-48.9000108Q186 A190Q186-D188 VanDerWaalsContact C-N 3.33Å; Q186-D188 PolarHBondContact NE2-OD1 3.24Å; Q186-D188 PolarHBondContact O-N 3.12Å; D188-A190 HydrophobicContact CB-CB 4.33Å; D188-A190 PolarHBondContact O-N 3.33Å
189E42.9Very low58Low180 Ų180122.3 Ų122.384%0.84166%0.657SS**  trans-6844.7154-74-175.2141.600109.7E187 V191E187-E189 PolarHBondContact O-N 3.08Å; E189-V191 PolarHBondContact O-N 3.35Å
190A43.9Very low59.6Low65 Ų65115.3 Ų115.354%0.53764%0.639SS.*  trans-71.310814600000103.3D188 D192D188-A190 HydrophobicContact CB-CB 4.33Å; D188-A190 PolarHBondContact O-N 3.33Å; A190-D192 PolarHBondContact O-N 3.49Å
191V50Low61.2Low114 Ų114117.7 Ų117.769%0.69165%0.646SS**  trans-55.799.6166.9174.70000105.3E189 V193E189-V191 PolarHBondContact O-N 3.35Å; V191-V193 PolarHBondContact O-N 3.04Å
192D45.5Very low63.1Low132 Ų132113.2 Ų113.271%0.70662%0.624SS**  trans-52.8114.1169.3-88.6-33.8000104.8A190 T194A190-D192 PolarHBondContact O-N 3.49Å; D192-T194 PolarHBondContact O-N 3.48Å; D192-T194 PolarHBondContact O-OG1 3.38Å; D192-T194 VanDerWaalsContact O-OG1 3.06Å
193V60.7Low65.2Low117 Ų117115.6 Ų115.671%0.70963%0.631SS**  trans-66.879.8177.1-176.70000105.5V191V191-V193 PolarHBondContact O-N 3.04Å
194T78.3Confident67.2Low61 Ų61114.6 Ų114.637%0.37462%0.616SS.*  trans-66.5135.3-173.6-570000105.2D192 V196 M197 T198D192-T194 PolarHBondContact O-N 3.48Å; D192-T194 PolarHBondContact O-OG1 3.38Å; D192-T194 VanDerWaalsContact O-OG1 3.06Å; T194-V196 HydrophobicContact CG2-CB 3.87Å; T194-V196 HydrophobicContact CG2-CG2 3.92Å; T194-V196 CarbonylContact O-C 3.56Å; T194-V196 PolarHBondContact O-N 2.86Å; T194-M197 WeakPolarHBondContact O-CA 3.31Å; T194-M197 WeakPolarHBondContact O-CB 3.33Å; T194-M197 PolarHBondContact O-N 2.9Å; T194-T198 PolarHBondContact O-N 3.36Å
195P83.1Confident69.6Low107 Ų107108.9 Ų108.970%0.69559%0.594SS**Hα-helixtrans-52-26.617716.8-30.3000112.5T198 C199P195-T198 PolarHBondContact O-N 3.47Å; P195-C199 WeakPolarHBondContact O-CB 3.49Å; P195-C199 PolarHBondContact O-N 3.47Å
196V85.5Confident72.1Confident96 Ų96102.9 Ų102.958%0.58258%0.575SS**Hα-helixtrans-62.3-47.6170.5-177.30000112.5T194 T198 C199 V200T194-V196 HydrophobicContact CG2-CB 3.87Å; T194-V196 HydrophobicContact CG2-CG2 3.92Å; T194-V196 CarbonylContact O-C 3.56Å; T194-V196 PolarHBondContact O-N 2.86Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-T198 PolarHBondContact O-N 3.25Å; V196-C199 PolarHBondContact O-N 3.36Å; V196-V200 VanDerWaalsContact O-CG2 3.3Å; V196-V200 WeakPolarHBondContact O-CG2 3.32Å; V196-V200 PolarHBondContact O-N 2.99Å
197M83.7Confident74.6Confident118 Ų11898.9 Ų98.958%0.58156%0.562SS**Hα-helixtrans-63.1-39.9177-70-66.2-77.400111.4T194 F201T194-M197 WeakPolarHBondContact O-CA 3.31Å; T194-M197 WeakPolarHBondContact O-CB 3.33Å; T194-M197 PolarHBondContact O-N 2.9Å; M197-F201 WeakPolarHBondContact O-CB 3.32Å; M197-F201 PolarHBondContact O-N 3.47Å
198T87.7Confident76.9Confident68 Ų6894.2 Ų94.242%0.41754%0.541SS..Hα-helixtrans-63.2-45.5173.9-50.90000111.4T194 P195 V196 F201 V202T194-T198 PolarHBondContact O-N 3.36Å; P195-T198 PolarHBondContact O-N 3.47Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-T198 PolarHBondContact O-N 3.25Å; T198-F201 PolarHBondContact O-N 3.47Å; T198-V202 WeakPolarHBondContact O-CG2 3.49Å; T198-V202 PolarHBondContact O-N 3Å
199C89.8Confident79.2Confident76 Ų7695.1 Ų95.151%0.51455%0.546SS..Hα-helixtrans-61.6-46.5178.3-172.20000111.7P195 V196 F201 V202 V203P195-C199 WeakPolarHBondContact O-CB 3.49Å; P195-C199 PolarHBondContact O-N 3.47Å; V196-C199 PolarHBondContact O-N 3.36Å; C199-F201 VanDerWaalsContact C-N 3.32Å; C199-F201 PolarHBondContact O-N 3.29Å; C199-V202 PolarHBondContact O-N 3.29Å; C199-V203 WeakPolarHBondContact O-CG2 3.49Å; C199-V203 PolarHBondContact O-N 2.74Å
200V91.5Very high81.6Confident82 Ų8290.6 Ų90.650%0.49753%0.53SS..Hα-helixtrans-58.8-44.6175.6171.50000110.9V196 V203 M204V196-V200 VanDerWaalsContact O-CG2 3.3Å; V196-V200 WeakPolarHBondContact O-CG2 3.32Å; V196-V200 PolarHBondContact O-N 2.99Å; V200-V203 PolarHBondContact O-N 3.33Å; V200-M204 HydrophobicContact CG1-CG 4.36Å; V200-M204 WeakPolarHBondContact O-CB 3.32Å; V200-M204 VanDerWaalsContact O-CG 3.25Å; V200-M204 WeakPolarHBondContact O-CG 3.14Å; V200-M204 PolarHBondContact O-N 2.94Å
201F87.9Confident83.7Confident139 Ų13991.3 Ų91.361%0.6153%0.525SS*.Hα-helixtrans-61.2-46.3177.8-178.7-100.8000112.3M197 T198 C199 V203 M204 C205M197-F201 WeakPolarHBondContact O-CB 3.32Å; M197-F201 PolarHBondContact O-N 3.47Å; T198-F201 PolarHBondContact O-N 3.47Å; C199-F201 VanDerWaalsContact C-N 3.32Å; C199-F201 PolarHBondContact O-N 3.29Å; F201-V203 PolarHBondContact O-N 2.99Å; F201-M204 PolarHBondContact O-N 3.23Å; F201-C205 VanDerWaalsContact CZ-SG 3.52Å; F201-C205 PolarHBondContact O-N 2.79Å; F201-C205 PolarHBondContact O-SG 3.32Å; F201-C205 VanDerWaalsContact O-SG 3.38Å
202V93.7Very high85.5Confident77 Ų7788 Ų8847%0.46750%0.503SS..Hα-helixtrans-60-47.3177.6171.60000110.9T198 C199 M204 C205 C206T198-V202 WeakPolarHBondContact O-CG2 3.49Å; T198-V202 PolarHBondContact O-N 3Å; C199-V202 PolarHBondContact O-N 3.29Å; V202-M204 VanDerWaalsContact C-N 3.34Å; V202-M204 PolarHBondContact O-N 3.49Å; V202-C205 PolarHBondContact O-N 2.85Å; V202-C206 WeakPolarHBondContact O-CB 3.35Å; V202-C206 PolarHBondContact O-N 3Å; V202-C206 PolarHBondContact O-SG 2.9Å
203V94.8Very high87.6Confident89 Ų8990.4 Ų90.454%0.53950%0.503SS..Hα-helixtrans-60.7-44.1178.4172.10000111C199 V200 F201 C206 S207C199-V203 WeakPolarHBondContact O-CG2 3.49Å; C199-V203 PolarHBondContact O-N 2.74Å; V200-V203 PolarHBondContact O-N 3.33Å; F201-V203 PolarHBondContact O-N 2.99Å; V203-C206 PolarHBondContact O-N 3.25Å; V203-S207 WeakPolarHBondContact O-CB 3.33Å; V203-S207 PolarHBondContact O-N 3.45Å; V203-S207 PolarHBondContact O-OG 3.38Å
204M91.4Very high88.8Confident119 Ų11992.8 Ų92.859%0.58650%0.501SS*.Hα-helixtrans-60.1-47.7175.8-74.3-65.6-60.800111.7V200 F201 V202 S207 M208V200-M204 HydrophobicContact CG1-CG 4.36Å; V200-M204 WeakPolarHBondContact O-CB 3.32Å; V200-M204 VanDerWaalsContact O-CG 3.25Å; V200-M204 WeakPolarHBondContact O-CG 3.14Å; V200-M204 PolarHBondContact O-N 2.94Å; F201-M204 PolarHBondContact O-N 3.23Å; V202-M204 VanDerWaalsContact C-N 3.34Å; V202-M204 PolarHBondContact O-N 3.49Å; M204-S207 PolarHBondContact O-N 2.87Å; M204-S207 PolarHBondContact O-OG 3.32Å; M204-M208 PolarHBondContact O-N 2.99Å
205C90.6Very high89.3Confident51 Ų5195.8 Ų95.835%0.34551%0.509SS..Hα-helixtrans-60.8-46.9176.8-72.80000112.2F201 V202 S207 M208 L209F201-C205 VanDerWaalsContact CZ-SG 3.52Å; F201-C205 PolarHBondContact O-N 2.79Å; F201-C205 PolarHBondContact O-SG 3.32Å; F201-C205 VanDerWaalsContact O-SG 3.38Å; V202-C205 PolarHBondContact O-N 2.85Å; C205-S207 VanDerWaalsContact C-N 3.34Å; C205-S207 PolarHBondContact O-N 3.45Å; C205-M208 PolarHBondContact O-N 3.26Å; C205-L209 WeakPolarHBondContact O-CG 3.28Å; C205-L209 PolarHBondContact O-N 2.94Å; C205-L209 VanDerWaalsContact O-N 3.09Å
206C93.9Very high89.5Confident67 Ų6797.2 Ų97.245%0.45350%0.501SS..Hα-helixtrans-60.9-43.4177-69.90000111.7V202 V203 M208 L209 V210V202-C206 WeakPolarHBondContact O-CB 3.35Å; V202-C206 PolarHBondContact O-N 3Å; V202-C206 PolarHBondContact O-SG 2.9Å; V203-C206 PolarHBondContact O-N 3.25Å; C206-M208 VanDerWaalsContact C-N 3.33Å; C206-M208 PolarHBondContact O-N 3.39Å; C206-L209 PolarHBondContact O-N 2.89Å; C206-V210 WeakPolarHBondContact O-CG2 3.35Å; C206-V210 PolarHBondContact O-N 2.97Å
207S92Very high89.4Confident49 Ų4999 Ų9934%0.34351%0.507SS..Hα-helixtrans-62-41177.975.60000112.1V203 M204 C205 L209 V210 L211V203-S207 WeakPolarHBondContact O-CB 3.33Å; V203-S207 PolarHBondContact O-N 3.45Å; V203-S207 PolarHBondContact O-OG 3.38Å; M204-S207 PolarHBondContact O-N 2.87Å; M204-S207 PolarHBondContact O-OG 3.32Å; C205-S207 VanDerWaalsContact C-N 3.34Å; C205-S207 PolarHBondContact O-N 3.45Å; S207-L209 PolarHBondContact O-N 3.41Å; S207-V210 PolarHBondContact O-N 3.43Å; S207-L211 WeakPolarHBondContact O-CB 3.25Å; S207-L211 VanDerWaalsContact O-CG 3.29Å; S207-L211 WeakPolarHBondContact O-CG 3.39Å; S207-L211 PolarHBondContact O-N 2.88Å
208M87.8Confident89.5Confident78 Ų7899.2 Ų99.238%0.38451%0.511SS..Hα-helixtrans-63.3-41.8177.5-176.6-86.6169.700111.5M204 C205 C206 L211 L212 V223M204-M208 PolarHBondContact O-N 2.99Å; C205-M208 PolarHBondContact O-N 3.26Å; C206-M208 VanDerWaalsContact C-N 3.33Å; C206-M208 PolarHBondContact O-N 3.39Å; M208-L211 PolarHBondContact O-N 3.05Å; M208-L212 HydrophobicContact CE-CD2 4.41Å; M208-L212 WeakPolarHBondContact O-CB 3.31Å; M208-L212 PolarHBondContact O-N 2.85Å; M208-V223 HydrophobicContact CE-CG2 3.82Å
209L89.4Confident89.4Confident113 Ų11398.1 Ų98.159%0.59250%0.502SS*.Hα-helixtrans-64.3-43.7176.1-67.7175.6000112.3C205 C206 S207 L212 Y213C205-L209 WeakPolarHBondContact O-CG 3.28Å; C205-L209 PolarHBondContact O-N 2.94Å; C205-L209 VanDerWaalsContact O-N 3.09Å; C206-L209 PolarHBondContact O-N 2.89Å; S207-L209 PolarHBondContact O-N 3.41Å; L209-L212 PolarHBondContact O-N 3.5Å; L209-Y213 PolarHBondContact O-N 3.42Å
210V92.2Very high89.3Confident84 Ų8495.8 Ų95.851%0.50949%0.485SS..Hα-helixtrans-63.9-42.5177172.50000111C206 S207 L212 Y213 Y214C206-V210 WeakPolarHBondContact O-CG2 3.35Å; C206-V210 PolarHBondContact O-N 2.97Å; S207-V210 PolarHBondContact O-N 3.43Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 3.24Å; V210-Y213 WeakPolarHBondContact O-CB 3.41Å; V210-Y213 PolarHBondContact O-N 3.08Å; V210-Y214 HydrophobicContact CG1-CD2 3.98Å; V210-Y214 HydrophobicContact CG1-CE2 4.05Å; V210-Y214 WeakPolarHBondContact O-CD2 3.33Å; V210-Y214 PolarHBondContact O-N 3.28Å
211L89.1Confident89.1Confident81 Ų8199.2 Ų99.242%0.42449%0.49SS..Hα-helixtrans-60.3-44.9174.8-78.3170.7000111S207 M208 Y213 Y214 F215 L219S207-L211 WeakPolarHBondContact O-CB 3.25Å; S207-L211 VanDerWaalsContact O-CG 3.29Å; S207-L211 WeakPolarHBondContact O-CG 3.39Å; S207-L211 PolarHBondContact O-N 2.88Å; M208-L211 PolarHBondContact O-N 3.05Å; L211-Y213 VanDerWaalsContact C-N 3.26Å; L211-Y213 PolarHBondContact O-N 3.38Å; L211-Y214 PolarHBondContact O-N 2.89Å; L211-F215 HydrophobicContact CD2-CD2 4.04Å; L211-F215 HydrophobicContact CD2-CE2 4.23Å; L211-F215 PolarHBondContact O-N 2.93Å; L211-L219 HydrophobicContact CB-CD1 3.59Å; L211-L219 VanDerWaalsContact O-CD1 3.22Å; L211-L219 WeakPolarHBondContact O-CD1 3.35Å
212L88.1Confident89.2Confident45 Ų4596 Ų9624%0.23648%0.482CS..Hα-helixtrans-62.7-32.7177.2-169.667.6000112.4M208 L209 V210 Y216 L219 V220M208-L212 HydrophobicContact CE-CD2 4.41Å; M208-L212 WeakPolarHBondContact O-CB 3.31Å; M208-L212 PolarHBondContact O-N 2.85Å; L209-L212 PolarHBondContact O-N 3.5Å; V210-L212 VanDerWaalsContact C-N 3.34Å; V210-L212 PolarHBondContact O-N 3.24Å; L212-Y216 HydrophobicContact CD1-CD2 3.97Å; L212-Y216 HydrophobicContact CD1-CE2 4.49Å; L212-Y216 HydrophobicContact CG-CD2 4.11Å; L212-Y216 VanDerWaalsContact O-CA 3.24Å; L212-Y216 WeakPolarHBondContact O-CA 3.39Å; L212-Y216 VanDerWaalsContact O-CB 3.25Å; L212-Y216 WeakPolarHBondContact O-CB 3.48Å; L212-Y216 PolarHBondContact O-N 3.02Å; L212-L219 HydrophobicContact CD1-CB 4.27Å; L212-V220 HydrophobicContact CD1-CG2 3.83Å
213Y87.9Confident89Confident181 Ų18195.5 Ų95.571%0.7148%0.479SS*.Hα-helixtrans-66.6-45.4175.8177.6-98.7000112.5L209 V210 L211L209-Y213 PolarHBondContact O-N 3.42Å; V210-Y213 WeakPolarHBondContact O-CB 3.41Å; V210-Y213 PolarHBondContact O-N 3.08Å; L211-Y213 VanDerWaalsContact C-N 3.26Å; L211-Y213 PolarHBondContact O-N 3.38Å
214Y86.4Confident88.7Confident167 Ų16792.7 Ų92.766%0.65546%0.46SS*.Hα-helixtrans-84.7-34.4-177.8-75.5-71.8000114V210 L211V210-Y214 HydrophobicContact CG1-CD2 3.98Å; V210-Y214 HydrophobicContact CG1-CE2 4.05Å; V210-Y214 WeakPolarHBondContact O-CD2 3.33Å; V210-Y214 PolarHBondContact O-N 3.28Å; L211-Y214 PolarHBondContact O-N 2.89Å
215F89.3Confident88.7Confident125 Ų12588.6 Ų88.655%0.54845%0.448SS..SBendtrans-120.436.5-172.8-57.4-80.2000112.6L211 D217 L218 L219L211-F215 HydrophobicContact CD2-CD2 4.04Å; L211-F215 HydrophobicContact CD2-CE2 4.23Å; L211-F215 PolarHBondContact O-N 2.93Å; F215-D217 VanDerWaalsContact C-N 3.31Å; F215-D217 PolarHBondContact O-N 3.03Å; F215-L218 PolarHBondContact O-N 3.09Å; F215-L219 HydrophobicContact CB-CD1 3.73Å; F215-L219 HydrophobicContact CB-CG 3.99Å; F215-L219 WeakPolarHBondContact O-CB 3.48Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 2.83Å
216Y86.4Confident88.8Confident136 Ų13691.2 Ų91.253%0.53346%0.458SS..Hα-helixtrans-49.4-49.9-177-176.4-97.6000112.8L212 L218 L219 V220L212-Y216 HydrophobicContact CD1-CD2 3.97Å; L212-Y216 HydrophobicContact CD1-CE2 4.49Å; L212-Y216 HydrophobicContact CG-CD2 4.11Å; L212-Y216 VanDerWaalsContact O-CA 3.24Å; L212-Y216 WeakPolarHBondContact O-CA 3.39Å; L212-Y216 VanDerWaalsContact O-CB 3.25Å; L212-Y216 WeakPolarHBondContact O-CB 3.48Å; L212-Y216 PolarHBondContact O-N 3.02Å; Y216-L218 VanDerWaalsContact C-N 3.25Å; Y216-L218 PolarHBondContact O-N 3.4Å; Y216-L218 VanDerWaalsContact O-N 3.16Å; Y216-L219 PolarHBondContact O-N 3.46Å; Y216-V220 HydrophobicContact CD1-CG2 4.15Å; Y216-V220 HydrophobicContact CD2-CG2 3.6Å; Y216-V220 HydrophobicContact CE1-CG2 3.95Å; Y216-V220 HydrophobicContact CE2-CG2 3.36Å; Y216-V220 HydrophobicContact CG-CG2 3.99Å; Y216-V220 WeakPolarHBondContact O-CB 3.32Å; Y216-V220 VanDerWaalsContact O-CG2 3.23Å; Y216-V220 WeakPolarHBondContact O-CG2 3.38Å; Y216-V220 PolarHBondContact O-N 2.86Å; Y216-V220 VanDerWaalsContact O-N 3.09Å
217D83.3Confident88.6Confident133 Ų13393.1 Ų93.171%0.71146%0.458SS*.Hα-helixtrans-61.2-29.6-171.4-69.6-29.1000113.8F215 Y221F215-D217 VanDerWaalsContact C-N 3.31Å; F215-D217 PolarHBondContact O-N 3.03Å; D217-Y221 WeakPolarHBondContact O-CD2 3.37Å; D217-Y221 WeakPolarHBondContact O-CE2 3.33Å
218L85.6Confident88.7Confident124 Ų12491.9 Ų91.965%0.64945%0.45SS*.Hα-helixtrans-95.8-45.3177.2-174.569.7000111.7F215 Y216 V220 Y221 V222F215-L218 PolarHBondContact O-N 3.09Å; Y216-L218 VanDerWaalsContact C-N 3.25Å; Y216-L218 PolarHBondContact O-N 3.4Å; Y216-L218 VanDerWaalsContact O-N 3.16Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 2.81Å; L218-Y221 PolarHBondContact O-N 3.04Å; L218-V222 PolarHBondContact O-N 2.92Å
219L86.4Confident88.9Confident45 Ų4594.1 Ų94.124%0.23646%0.462CS..Hα-helixtrans-67.5-30.8-172.3-72.2175.7000113.2L211 L212 F215 Y216 Y221 V222 V223L211-L219 HydrophobicContact CB-CD1 3.59Å; L211-L219 VanDerWaalsContact O-CD1 3.22Å; L211-L219 WeakPolarHBondContact O-CD1 3.35Å; L212-L219 HydrophobicContact CD1-CB 4.27Å; F215-L219 HydrophobicContact CB-CD1 3.73Å; F215-L219 HydrophobicContact CB-CG 3.99Å; F215-L219 WeakPolarHBondContact O-CB 3.48Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 2.83Å; Y216-L219 PolarHBondContact O-N 3.46Å; L219-Y221 VanDerWaalsContact C-N 3.29Å; L219-Y221 PolarHBondContact O-N 2.85Å; L219-V222 PolarHBondContact O-N 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.26Å; L219-V223 PolarHBondContact O-N 2.99Å
220V87.8Confident89Confident26 Ų2691.3 Ų91.316%0.15846%0.456CS..Hα-helixtrans-58-44.2175.5165.60000111.1L212 Y216 L218 V222 V223 I224L212-V220 HydrophobicContact CD1-CG2 3.83Å; Y216-V220 HydrophobicContact CD1-CG2 4.15Å; Y216-V220 HydrophobicContact CD2-CG2 3.6Å; Y216-V220 HydrophobicContact CE1-CG2 3.95Å; Y216-V220 HydrophobicContact CE2-CG2 3.36Å; Y216-V220 HydrophobicContact CG-CG2 3.99Å; Y216-V220 WeakPolarHBondContact O-CB 3.32Å; Y216-V220 VanDerWaalsContact O-CG2 3.23Å; Y216-V220 WeakPolarHBondContact O-CG2 3.38Å; Y216-V220 PolarHBondContact O-N 2.86Å; Y216-V220 VanDerWaalsContact O-N 3.09Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 2.81Å; V220-V222 VanDerWaalsContact C-N 3.35Å; V220-V222 PolarHBondContact O-N 3.45Å; V220-V223 PolarHBondContact O-N 3.42Å; V220-I224 HydrophobicContact CG1-CD1 3.6Å; V220-I224 HydrophobicContact CG1-CG1 4.45Å; V220-I224 WeakPolarHBondContact O-CB 3.36Å; V220-I224 VanDerWaalsContact O-CD1 3.31Å; V220-I224 WeakPolarHBondContact O-CD1 3.48Å; V220-I224 WeakPolarHBondContact O-CG1 3.49Å; V220-I224 PolarHBondContact O-N 3.42Å
221Y87.6Confident89Confident155 Ų15589.2 Ų89.261%0.60845%0.445SS*.Hα-helixtrans-67.7-35.6178.2-65-80000112.4D217 L218 L219 I224 G225D217-Y221 WeakPolarHBondContact O-CD2 3.37Å; D217-Y221 WeakPolarHBondContact O-CE2 3.33Å; L218-Y221 PolarHBondContact O-N 3.04Å; L219-Y221 VanDerWaalsContact C-N 3.29Å; L219-Y221 PolarHBondContact O-N 2.85Å; Y221-I224 PolarHBondContact O-N 2.87Å; Y221-G225 PolarHBondContact O-N 3.01Å
222V89.6Confident89.2Confident72 Ų7285.9 Ų85.944%0.43643%0.429SS..Hα-helixtrans-63.6-46.7174.2177.90000110.7L218 L219 V220 I224 G225 I226L218-V222 PolarHBondContact O-N 2.92Å; L219-V222 PolarHBondContact O-N 3.23Å; V220-V222 VanDerWaalsContact C-N 3.35Å; V220-V222 PolarHBondContact O-N 3.45Å; V222-I224 PolarHBondContact O-N 3.49Å; V222-G225 PolarHBondContact O-N 2.84Å; V222-I226 HydrophobicContact CG1-CD1 3.94Å; V222-I226 WeakPolarHBondContact O-CG1 3.34Å; V222-I226 PolarHBondContact O-N 3.48Å
223V88.5Confident89.2Confident66 Ų6688 Ų8840%0.444%0.444SS..Hα-helixtrans-62.3-43.4177.9172.70000111.1M208 L219 V220 G225 I226 F227M208-V223 HydrophobicContact CE-CG2 3.82Å; L219-V223 WeakPolarHBondContact O-CG2 3.26Å; L219-V223 PolarHBondContact O-N 2.99Å; V220-V223 PolarHBondContact O-N 3.42Å; V223-G225 VanDerWaalsContact C-N 3.33Å; V223-G225 PolarHBondContact O-N 3.49Å; V223-I226 PolarHBondContact O-N 2.9Å; V223-F227 WeakPolarHBondContact O-CB 3.41Å; V223-F227 PolarHBondContact O-N 2.95Å
224I89.6Confident89.3Confident30 Ų3080.9 Ų80.915%0.15443%0.426CS..Hα-helixtrans-60.3-44.7174.9-68.5158.7000110.6V220 Y221 V222 I226 F227 C228 W283 R287V220-I224 HydrophobicContact CG1-CD1 3.6Å; V220-I224 HydrophobicContact CG1-CG1 4.45Å; V220-I224 WeakPolarHBondContact O-CB 3.36Å; V220-I224 VanDerWaalsContact O-CD1 3.31Å; V220-I224 WeakPolarHBondContact O-CD1 3.48Å; V220-I224 WeakPolarHBondContact O-CG1 3.49Å; V220-I224 PolarHBondContact O-N 3.42Å; Y221-I224 PolarHBondContact O-N 2.87Å; V222-I224 PolarHBondContact O-N 3.49Å; I224-I226 PolarHBondContact O-N 2.92Å; I224-F227 PolarHBondContact O-N 2.92Å; I224-C228 WeakPolarHBondContact O-CB 3.28Å; I224-C228 PolarHBondContact O-N 3.37Å; I224-C228 PolarHBondContact O-SG 3.43Å; I224-C228 VanDerWaalsContact O-SG 3.38Å; I224-W283 HydrophobicContact CG2-CZ3 4.4Å; I224-R287 VanDerWaalsContact CD1-NH2 3.31Å
225G91.4Very high89.5Confident32 Ų3275.7 Ų75.733%0.3341%0.409SS..Hα-helixtrans-59.3-47.4177.300000112.3Y221 V222 V223 F227 C228 L229Y221-G225 PolarHBondContact O-N 3.01Å; V222-G225 PolarHBondContact O-N 2.84Å; V223-G225 VanDerWaalsContact C-N 3.33Å; V223-G225 PolarHBondContact O-N 3.49Å; G225-F227 VanDerWaalsContact C-N 3.34Å; G225-F227 PolarHBondContact O-N 2.9Å; G225-C228 PolarHBondContact O-N 3.39Å; G225-L229 WeakPolarHBondContact O-CG 3.22Å; G225-L229 PolarHBondContact O-N 2.68Å
226I91.6Very high89.5Confident106 Ų10673.3 Ų73.354%0.54440%0.397SS..Hα-helixtrans-62.3-43.1176.2-65.2166.7000110.7V222 V223 I224 L229 A230V222-I226 HydrophobicContact CG1-CD1 3.94Å; V222-I226 WeakPolarHBondContact O-CG1 3.34Å; V222-I226 PolarHBondContact O-N 3.48Å; V223-I226 PolarHBondContact O-N 2.9Å; I224-I226 PolarHBondContact O-N 2.92Å; I226-L229 PolarHBondContact O-N 3Å; I226-A230 WeakPolarHBondContact O-CB 3.4Å; I226-A230 PolarHBondContact O-N 2.87Å
227F90.4Very high89.6Confident107 Ų10770.7 Ų70.747%0.46940%0.399SS..Hα-helixtrans-61-45.4177.4177.9-101.3000111.9V223 I224 G225 L229 A230 S231 W283V223-F227 WeakPolarHBondContact O-CB 3.41Å; V223-F227 PolarHBondContact O-N 2.95Å; I224-F227 PolarHBondContact O-N 2.92Å; G225-F227 VanDerWaalsContact C-N 3.34Å; G225-F227 PolarHBondContact O-N 2.9Å; F227-L229 VanDerWaalsContact C-N 3.32Å; F227-L229 PolarHBondContact O-N 2.95Å; F227-A230 PolarHBondContact O-N 3.24Å; F227-S231 VanDerWaalsContact O-CB 3.28Å; F227-S231 WeakPolarHBondContact O-CB 3.25Å; F227-S231 PolarHBondContact O-N 2.87Å; F227-S231 PolarHBondContact O-OG 3.14Å; F227-W283 HydrophobicContact CD1-CE3 4.29Å; F227-W283 AromaticContact CD1-CH2 3.74Å; F227-W283 HydrophobicContact CD1-CH2 3.74Å; F227-W283 AromaticContact CD1-CZ3 3.55Å; F227-W283 HydrophobicContact CD1-CZ3 3.55Å; F227-W283 HydrophobicContact CE1-CE3 4.15Å; F227-W283 AromaticContact CE1-CH2 3.6Å; F227-W283 HydrophobicContact CE1-CH2 3.6Å; F227-W283 HydrophobicContact CE1-CZ2 4.05Å; F227-W283 AromaticContact CE1-CZ3 3.66Å; F227-W283 HydrophobicContact CE1-CZ3 3.66Å
228C93.5Very high89.7Confident23 Ų2368.7 Ų68.716%0.15539%0.394CS..Hα-helixtrans-61.2-38.3175.2-73.60000112.5I224 G225 S231 A232 S280I224-C228 WeakPolarHBondContact O-CB 3.28Å; I224-C228 PolarHBondContact O-N 3.37Å; I224-C228 PolarHBondContact O-SG 3.43Å; I224-C228 VanDerWaalsContact O-SG 3.38Å; G225-C228 PolarHBondContact O-N 3.39Å; C228-S231 WeakPolarHBondContact CA-OG 3.4Å; C228-S231 PolarHBondContact O-OG 3.42Å; C228-S231 VanDerWaalsContact O-OG 3.09Å; C228-A232 VanDerWaalsContact O-CB 3.25Å; C228-A232 WeakPolarHBondContact O-CB 3.29Å; C228-A232 PolarHBondContact O-N 3.45Å; C228-S280 PolarHBondContact SG-O 3.44Å
229L92.3Very high89.7Confident125 Ų12565.4 Ų65.465%0.65438%0.377SS*.Hα-helixtrans-69.6-43.8175.9-69.2171.8000111.8G225 I226 F227 T233G225-L229 WeakPolarHBondContact O-CG 3.22Å; G225-L229 PolarHBondContact O-N 2.68Å; I226-L229 PolarHBondContact O-N 3Å; F227-L229 VanDerWaalsContact C-N 3.32Å; F227-L229 PolarHBondContact O-N 2.95Å; L229-T233 WeakPolarHBondContact O-CB 3.49Å; L229-T233 WeakPolarHBondContact O-CG2 3.39Å; L229-T233 PolarHBondContact O-N 3.37Å; L229-T233 PolarHBondContact O-OG1 3.45Å
230A91.9Very high89.7Confident55 Ų5563.7 Ų63.746%0.45537%0.37SS..Hα-helixtrans-65.8-40177.900000111.9I226 F227 T233 G234I226-A230 WeakPolarHBondContact O-CB 3.4Å; I226-A230 PolarHBondContact O-N 2.87Å; F227-A230 PolarHBondContact O-N 3.24Å; A230-T233 WeakPolarHBondContact CA-OG1 3.39Å; A230-T233 PolarHBondContact O-OG1 2.83Å; A230-G234 PolarHBondContact O-N 3.35Å
231S91.9Very high89.5Confident39 Ų3965.7 Ų65.727%0.27338%0.383SS..Hα-helixtrans-70.7-41.7177.765.20000111.7F227 C228 T233 G234 L235 S280F227-S231 VanDerWaalsContact O-CB 3.28Å; F227-S231 WeakPolarHBondContact O-CB 3.25Å; F227-S231 PolarHBondContact O-N 2.87Å; F227-S231 PolarHBondContact O-OG 3.14Å; C228-S231 WeakPolarHBondContact CA-OG 3.4Å; C228-S231 PolarHBondContact O-OG 3.42Å; C228-S231 VanDerWaalsContact O-OG 3.09Å; S231-T233 PolarHBondContact O-N 3.43Å; S231-G234 PolarHBondContact O-N 3.23Å; S231-L235 WeakPolarHBondContact O-CB 3.21Å; S231-L235 PolarHBondContact O-N 2.97Å; S231-S280 PolarHBondContact OG-OG 3.29Å
232A93.6Very high89.1Confident12 Ų1261.9 Ų61.910%0.09938%0.378CS..Hα-helixtrans-60-44.817400000111.9C228 Y236 C276 V277 S280C228-A232 VanDerWaalsContact O-CB 3.25Å; C228-A232 WeakPolarHBondContact O-CB 3.29Å; C228-A232 PolarHBondContact O-N 3.45Å; A232-Y236 VanDerWaalsContact O-CB 3.31Å; A232-Y236 WeakPolarHBondContact O-CB 3.31Å; A232-Y236 PolarHBondContact O-N 3.22Å; A232-C276 WeakPolarHBondContact O-CB 3.49Å; A232-V277 HydrophobicContact CB-CG2 4.45Å; A232-S280 WeakPolarHBondContact CB-OG 3.49Å; A232-S280 PolarHBondContact N-OG 3.49Å
233T89.3Confident88.8Confident88 Ų8859.9 Ų59.954%0.5437%0.366SS..Hα-helixtrans-68.5-44.2178.349.30000112.1L229 A230 S231 Y236 S237L229-T233 WeakPolarHBondContact O-CB 3.49Å; L229-T233 WeakPolarHBondContact O-CG2 3.39Å; L229-T233 PolarHBondContact O-N 3.37Å; L229-T233 PolarHBondContact O-OG1 3.45Å; A230-T233 WeakPolarHBondContact CA-OG1 3.39Å; A230-T233 PolarHBondContact O-OG1 2.83Å; S231-T233 PolarHBondContact O-N 3.43Å; T233-Y236 WeakPolarHBondContact O-CB 3.16Å; T233-Y236 PolarHBondContact O-N 3.24Å; T233-S237 PolarHBondContact O-N 2.98Å; T233-S237 PolarHBondContact O-OG 3.27Å
234G88.3Confident88.3Confident33 Ų3364.2 Ų64.234%0.3438%0.375SS..Hα-helixtrans-60.4-46.7175.100000112.4A230 S231 Y236 S237 C238A230-G234 PolarHBondContact O-N 3.35Å; S231-G234 PolarHBondContact O-N 3.23Å; G234-Y236 VanDerWaalsContact C-N 3.34Å; G234-Y236 PolarHBondContact O-N 3.39Å; G234-S237 PolarHBondContact O-N 3.32Å; G234-C238 PolarHBondContact O-N 2.98Å; G234-C238 PolarHBondContact O-SG 3.5Å; G234-C238 VanDerWaalsContact O-SG 3.32Å
235L90.4Very high87.7Confident58 Ų5873.2 Ų73.230%0.30441%0.407SS..Hα-helixtrans-62.8-41.7177.7-17461.9000111.6S231 S237 C238 L239 C276 V279S231-L235 WeakPolarHBondContact O-CB 3.21Å; S231-L235 PolarHBondContact O-N 2.97Å; L235-S237 PolarHBondContact O-N 3.02Å; L235-C238 PolarHBondContact O-N 3.44Å; L235-L239 HydrophobicContact CD1-CD1 3.77Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CD2-CD1 4.49Å; L235-L239 HydrophobicContact CG-CD1 3.83Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 3.47Å; L235-C276 HydrophobicContact CB-CB 4.44Å; L235-C276 HydrophobicContact CD2-CB 4.25Å; L235-C276 HydrophobicContact CG-CB 4.48Å; L235-V279 HydrophobicContact CD2-CB 4.5Å; L235-V279 HydrophobicContact CD2-CG1 4.38Å
236Y90.3Very high87Confident74 Ų7476.3 Ų76.329%0.2942%0.416SS..Hα-helixtrans-58.7-47.1174.1178.2-92.9000111.5A232 T233 G234 C238 L239 A240 M269 L272 A273 C276A232-Y236 VanDerWaalsContact O-CB 3.31Å; A232-Y236 WeakPolarHBondContact O-CB 3.31Å; A232-Y236 PolarHBondContact O-N 3.22Å; T233-Y236 WeakPolarHBondContact O-CB 3.16Å; T233-Y236 PolarHBondContact O-N 3.24Å; G234-Y236 VanDerWaalsContact C-N 3.34Å; G234-Y236 PolarHBondContact O-N 3.39Å; Y236-C238 VanDerWaalsContact C-N 3.33Å; Y236-C238 PolarHBondContact O-N 3.24Å; Y236-L239 PolarHBondContact O-N 3.19Å; Y236-A240 HydrophobicContact CE1-CB 4.49Å; Y236-A240 WeakPolarHBondContact O-CB 3.37Å; Y236-A240 PolarHBondContact O-N 3.32Å; Y236-M269 WeakPolarHBondContact CE2-O 3.41Å; Y236-M269 VanDerWaalsContact OH-CE 3.27Å; Y236-M269 WeakPolarHBondContact OH-CE 3.41Å; Y236-L272 HydrophobicContact CD2-CB 4.45Å; Y236-L272 HydrophobicContact CD2-CD2 3.95Å; Y236-L272 HydrophobicContact CD2-CG 3.88Å; Y236-L272 HydrophobicContact CE2-CB 4.38Å; Y236-L272 HydrophobicContact CE2-CD2 4.07Å; Y236-L272 HydrophobicContact CE2-CG 4.2Å; Y236-A273 HydrophobicContact CD2-CB 4.06Å; Y236-A273 HydrophobicContact CE2-CB 3.95Å; Y236-C276 PolarHBondContact N-SG 2.91Å
237S87.8Confident85.7Confident82 Ų8275.4 Ų75.457%0.57342%0.417SS*.Hα-helixtrans-63.2-37.3178.8-70.50000113T233 G234 L235 P241T233-S237 PolarHBondContact O-N 2.98Å; T233-S237 PolarHBondContact O-OG 3.27Å; G234-S237 PolarHBondContact O-N 3.32Å; L235-S237 PolarHBondContact O-N 3.02Å; S237-P241 VanDerWaalsContact O-CD 3.26Å; S237-P241 WeakPolarHBondContact O-CD 3.3Å
238C85.9Confident84.2Confident90 Ų9078.3 Ų78.361%0.60843%0.429SS*.Hα-helixtrans-71.5-40177.2-69.70000112.8G234 L235 Y236 P241G234-C238 PolarHBondContact O-N 2.98Å; G234-C238 PolarHBondContact O-SG 3.5Å; G234-C238 VanDerWaalsContact O-SG 3.32Å; L235-C238 PolarHBondContact O-N 3.44Å; Y236-C238 VanDerWaalsContact C-N 3.33Å; Y236-C238 PolarHBondContact O-N 3.24Å; C238-P241 WeakPolarHBondContact O-CD 3.36Å
239L86.3Confident82.6Confident55 Ų5579.2 Ų79.229%0.28844%0.443SS..Hα-helixtrans-85.6-23.6-176.9-69.5176.8000113.6L235 Y236 C242 V243 L272 F275L235-L239 HydrophobicContact CD1-CD1 3.77Å; L235-L239 HydrophobicContact CD1-CG 4.09Å; L235-L239 HydrophobicContact CD2-CD1 4.49Å; L235-L239 HydrophobicContact CG-CD1 3.83Å; L235-L239 HydrophobicContact CG-CG 4.45Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 3.47Å; Y236-L239 PolarHBondContact O-N 3.19Å; L239-C242 WeakPolarHBondContact O-CB 3.4Å; L239-C242 PolarHBondContact O-N 3.38Å; L239-V243 WeakPolarHBondContact O-CG2 3.43Å; L239-V243 PolarHBondContact O-N 3.43Å; L239-L272 HydrophobicContact CB-CD1 3.64Å; L239-L272 HydrophobicContact CB-CD2 4.02Å; L239-L272 HydrophobicContact CB-CG 4.41Å; L239-L272 HydrophobicContact CD1-CD1 3.8Å; L239-L272 HydrophobicContact CG-CD1 4.4Å; L239-F275 HydrophobicContact CD1-CD1 4.44Å; L239-F275 HydrophobicContact CD1-CE1 4.24Å
240A85.6Confident81.1Confident10 Ų1080.9 Ų80.98%0.08345%0.445CS..Hα-helixtrans-55.2-43-177.700000114.1Y236 C242 R244 M269 L272Y236-A240 HydrophobicContact CE1-CB 4.49Å; Y236-A240 WeakPolarHBondContact O-CB 3.37Å; Y236-A240 PolarHBondContact O-N 3.32Å; A240-C242 PolarHBondContact O-N 2.91Å; A240-R244 WeakPolarHBondContact O-CB 3.13Å; A240-R244 VanDerWaalsContact O-CG 3.26Å; A240-R244 WeakPolarHBondContact O-CG 3.43Å; A240-R244 PolarHBondContact O-N 3.43Å; A240-M269 HydrophobicContact CB-CE 3.85Å; A240-L272 HydrophobicContact CB-CD2 4.12Å
241P82.9Confident79.8Confident68 Ų6882.8 Ų82.844%0.44245%0.454SS..Hα-helixtrans-62.7-38.7174.1-22.834.1000113.3S237 C238 R244 R245S237-P241 VanDerWaalsContact O-CD 3.26Å; S237-P241 WeakPolarHBondContact O-CD 3.3Å; C238-P241 WeakPolarHBondContact O-CD 3.36Å; P241-R244 PolarHBondContact O-N 3.01Å; P241-R245 WeakPolarHBondContact O-CG 3.26Å; P241-R245 PolarHBondContact O-N 3.13Å
242C81.1Confident78.5Confident75 Ų7588.3 Ų88.351%0.50747%0.468SS..Hα-helixtrans-67.3-47.2179.3-620000111.1L239 A240 R244 R245 L246L239-C242 WeakPolarHBondContact O-CB 3.4Å; L239-C242 PolarHBondContact O-N 3.38Å; A240-C242 PolarHBondContact O-N 2.91Å; C242-R244 VanDerWaalsContact C-N 3.27Å; C242-R244 PolarHBondContact O-N 2.91Å; C242-R245 WeakPolarHBondContact O-CB 3.48Å; C242-R245 PolarHBondContact O-N 3.18Å; C242-R245 VanDerWaalsContact O-N 3.08Å; C242-L246 PolarHBondContact O-N 3.45Å
243V82.8Confident77.1Confident29 Ų2989.4 Ų89.418%0.17647%0.472CS..Hα-helixtrans-64.8-31.8178.2175.30000112L239 R245 L246 R268 L272L239-V243 WeakPolarHBondContact O-CG2 3.43Å; L239-V243 PolarHBondContact O-N 3.43Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.09Å; V243-L246 PolarHBondContact O-N 3.31Å; V243-R268 HydrophobicContact CG1-CB 4.07Å; V243-R268 HydrophobicContact CG1-CG 4.22Å; V243-R268 PolarHBondContact O-NH1 2.97Å; V243-L272 HydrophobicContact CB-CD2 4.26Å; V243-L272 HydrophobicContact CG2-CD1 4.05Å; V243-L272 HydrophobicContact CG2-CD2 3.95Å; V243-L272 HydrophobicContact CG2-CG 4.41Å
244R77.4Confident75.6Confident158 Ų15890.1 Ų90.160%0.59648%0.478SS*.Hα-helixtrans-66.8-30.3174.2-77.2175.8-177.4-176.73.5113.2A240 P241 C242 R268 M269A240-R244 WeakPolarHBondContact O-CB 3.13Å; A240-R244 VanDerWaalsContact O-CG 3.26Å; A240-R244 WeakPolarHBondContact O-CG 3.43Å; A240-R244 PolarHBondContact O-N 3.43Å; P241-R244 PolarHBondContact O-N 3.01Å; C242-R244 VanDerWaalsContact C-N 3.27Å; C242-R244 PolarHBondContact O-N 2.91Å; R244-R268 PolarHBondContact O-NH1 3.47Å; R244-R268 VanDerWaalsContact O-NH1 3.1Å; R244-M269 HydrophobicContact CG-SD 4.05Å
245R77.3Confident73.8Confident218 Ų21894.7 Ų94.782%0.82350%0.495SS*.Hα-helixtrans-76.7-19.2176.8-69.9-176.1-172.6-1723.5113.4P241 C242 V243P241-R245 WeakPolarHBondContact O-CG 3.26Å; P241-R245 PolarHBondContact O-N 3.13Å; C242-R245 WeakPolarHBondContact O-CB 3.48Å; C242-R245 PolarHBondContact O-N 3.18Å; C242-R245 VanDerWaalsContact O-N 3.08Å; V243-R245 VanDerWaalsContact C-N 3.3Å; V243-R245 PolarHBondContact O-N 3.09Å
246L76.2Confident72.2Confident98 Ų9896.2 Ų96.251%0.51350%0.503SS..SBendtrans-72.7134.1177.7-67.1171.8000110.9C242 V243 F248 R268C242-L246 PolarHBondContact O-N 3.45Å; V243-L246 PolarHBondContact O-N 3.31Å; L246-F248 VanDerWaalsContact C-N 3.28Å; L246-F248 PolarHBondContact O-N 2.94Å; L246-R268 PolarHBondContact O-NH1 2.95Å
247P64Low70.6Confident87 Ų8798.6 Ų98.657%0.56553%0.531SS*.SBendtrans-75.9-11-175.428.5-33.9000114.4
248F60.2Low69.2Low167 Ų16799.2 Ų99.273%0.73253%0.527SS*.SBendtrans-85.9150-175.8-58.2-77.8000113.2L246L246-F248 VanDerWaalsContact C-N 3.28Å; L246-F248 PolarHBondContact O-N 2.94Å
249G58.5Low67.9Low42 Ų42100.3 Ų100.343%0.43353%0.534SS..  trans75.942.7167.600000116.2C251G249-C251 PolarHBondContact O-N 3.49Å
250K61.7Low66.5Low161 Ų161107.8 Ų107.870%0.756%0.559SS**  trans-74-0.9177.1-64.1-179.6-175.3174.30114.4R252K250-R252 PolarHBondContact O-N 3.3Å
251C64.9Low65.1Low95 Ų95110 Ų11064%0.64257%0.567SS**PPolyproline II helixtrans-61128.4179.9-60.30000111.1G249 A267G249-C251 PolarHBondContact O-N 3.49Å; C251-A267 WeakPolarHBondContact O-CB 3.38Å; C251-A267 PolarHBondContact O-N 2.94Å
252R64.4Low63.8Low155 Ų155113.2 Ų113.259%0.58558%0.576SS**BIsolated β-bridgetrans-99.5136.8177.8-142.8175.7-178.6171.7-5.7108.1K250 R264K250-R252 PolarHBondContact O-N 3.3Å; R252-R264 HydrophobicContact CG-CB 3.96Å; R252-R264 WeakPolarHBondContact CG-O 3.29Å; R252-R264 PolarHBondContact NE-O 3.44Å
253I63.6Low62.6Low34 Ų34118.7 Ų118.717%0.17459%0.591CS.*PPolyproline II helixtrans-62.4133.6-176.8-59.4173.6000109.2F261 P265 L270I253-F261 HydrophobicContact CD1-CD1 3.87Å; I253-F261 HydrophobicContact CD1-CE1 3.66Å; I253-P265 HydrophobicContact CD1-CG 4.19Å; I253-L270 HydrophobicContact CD1-CD2 3.99Å
254P58.1Low61.6Low103 Ų103123.5 Ų123.567%0.66961%0.606SS**PPolyproline II helixtrans-65.5167.7177.225.3-32.1000112.4N256P254-N256 PolarHBondContact O-N 2.86Å; P254-N256 VanDerWaalsContact O-N 3.11Å
255N50.3Low61.1Low130 Ų130118 Ų11870%0.69559%0.591SS**  trans-66.8108.5-169.9-148.127.2000110.9
256N56.4Low60.9Low89 Ų89110.8 Ų110.848%0.47657%0.566SS.*  trans-117.9144.1173.3-805.8000109.7P254 L258P254-N256 PolarHBondContact O-N 2.86Å; P254-N256 VanDerWaalsContact O-N 3.11Å; N256-L258 PolarHBondContact O-N 3.47Å
257S56.5Low60.9Low125 Ų125108.1 Ų108.187%0.87456%0.558SS**  trans-7318.2-17950.30000115
258L59.1Low61.5Low94 Ų94105.9 Ų105.949%0.49254%0.539SS..  trans-89.1127.9-178.8-78.9160.3000111N256 Y260 F261N256-L258 PolarHBondContact O-N 3.47Å; L258-Y260 VanDerWaalsContact C-N 3.25Å; L258-Y260 PolarHBondContact O-N 3.26Å; L258-Y260 VanDerWaalsContact O-N 3.13Å; L258-F261 HydrophobicContact CB-CB 4.47Å; L258-F261 HydrophobicContact CB-CD2 4.1Å; L258-F261 HydrophobicContact CD1-CD2 4.33Å; L258-F261 PolarHBondContact O-N 2.95Å
259P58.4Low62.5Low114 Ų11498.7 Ų98.774%0.7451%0.508SS*.THydrogen-bonded Turntrans-60.5-29.3-171.919.9-30.9000114.1
260Y57.2Low63.7Low211 Ų211100.4 Ų100.483%0.82751%0.506SS*.THydrogen-bonded Turntrans-78.1-22.4178.8-158.7-104.2000113.8L258L258-Y260 VanDerWaalsContact C-N 3.25Å; L258-Y260 PolarHBondContact O-N 3.26Å; L258-Y260 VanDerWaalsContact O-N 3.13Å
261F56.4Low64.8Low56 Ų5698.5 Ų98.525%0.24650%0.503CS..THydrogen-bonded Turntrans-97.12.2-176.3-77.3-80.6000114.2I253 L258 K263 R264 P265 L270I253-F261 HydrophobicContact CD1-CD1 3.87Å; I253-F261 HydrophobicContact CD1-CE1 3.66Å; L258-F261 HydrophobicContact CB-CB 4.47Å; L258-F261 HydrophobicContact CB-CD2 4.1Å; L258-F261 HydrophobicContact CD1-CD2 4.33Å; L258-F261 PolarHBondContact O-N 2.95Å; F261-K263 PolarHBondContact O-N 3.21Å; F261-K263 VanDerWaalsContact O-N 3.11Å; F261-R264 PolarHBondContact O-N 2.86Å; F261-R264 VanDerWaalsContact O-N 3.07Å; F261-P265 HydrophobicContact CD1-CG 3.67Å; F261-P265 HydrophobicContact CE1-CG 4.03Å; F261-L270 HydrophobicContact CE1-CD1 3.83Å; F261-L270 HydrophobicContact CE1-CD2 4.18Å; F261-L270 HydrophobicContact CZ-CD1 3.79Å; F261-L270 HydrophobicContact CZ-CD2 4.33Å
262H54.7Low65.9Low137 Ų13794.5 Ų94.563%0.63448%0.475SS*.THydrogen-bonded Turntrans-59.4-27.3-177.2-121.9-48.2000114.1R264H262-R264 PolarHBondContact O-N 3.4Å
263K57.1Low67Low190 Ų19088.8 Ų88.883%0.82646%0.462SS*.THydrogen-bonded Turntrans-828.5179.5-69.4-173.3178.6-179.40114.5F261F261-K263 PolarHBondContact O-N 3.21Å; F261-K263 VanDerWaalsContact O-N 3.11Å
264R61.8Low68.3Low130 Ų13093.2 Ų93.249%0.49149%0.485SS..  trans46.663.2-178.6-61.3-167.4-173.9-157.94.1112.5R252 F261 H262R252-R264 HydrophobicContact CG-CB 3.96Å; R252-R264 WeakPolarHBondContact CG-O 3.29Å; R252-R264 PolarHBondContact NE-O 3.44Å; F261-R264 PolarHBondContact O-N 2.86Å; F261-R264 VanDerWaalsContact O-N 3.07Å; H262-R264 PolarHBondContact O-N 3.4Å
265P65.6Low69.9Low41 Ų4193.4 Ų93.427%0.26648%0.475SS..  trans-62.2144.6177.425.3-30.1000110.4I253 F261I253-P265 HydrophobicContact CD1-CG 4.19Å; F261-P265 HydrophobicContact CD1-CG 3.67Å; F261-P265 HydrophobicContact CE1-CG 4.03Å
266Q72.9Confident71.9Confident67 Ų6787.2 Ų87.231%0.31344%0.443SS..BIsolated β-bridgetrans-68.6138.5175.6-66.8171.3-16.800109R268 M269 L270Q266-R268 HydrophobicContact CB-CG 3.96Å; Q266-R268 PolarHBondContact O-N 3.32Å; Q266-R268 VanDerWaalsContact O-N 3.09Å; Q266-M269 HydrophobicContact CB-CG 4.32Å; Q266-M269 PolarHBondContact O-N 3.35Å; Q266-L270 PolarHBondContact O-N 3.43Å
267A76.3Confident73.7Confident42 Ų4286.9 Ų86.935%0.34744%0.443SS..Hα-helixtrans-53.5-35.7-177.500000112.5C251 M269 L270 L271C251-A267 WeakPolarHBondContact O-CB 3.38Å; C251-A267 PolarHBondContact O-N 2.94Å; A267-M269 VanDerWaalsContact C-N 3.33Å; A267-M269 PolarHBondContact O-N 2.96Å; A267-L270 WeakPolarHBondContact O-CB 3.5Å; A267-L270 PolarHBondContact O-N 2.98Å; A267-L271 PolarHBondContact O-N 3.44Å
268R77.3Confident75.4Confident41 Ų4183 Ų8316%0.15542%0.419CS..Hα-helixtrans-60.2-34.317566.8-176.2179.4168.92.3114.8V243 R244 L246 Q266 L272V243-R268 HydrophobicContact CG1-CB 4.07Å; V243-R268 HydrophobicContact CG1-CG 4.22Å; V243-R268 PolarHBondContact O-NH1 2.97Å; R244-R268 PolarHBondContact O-NH1 3.47Å; R244-R268 VanDerWaalsContact O-NH1 3.1Å; L246-R268 PolarHBondContact O-NH1 2.95Å; Q266-R268 HydrophobicContact CB-CG 3.96Å; Q266-R268 PolarHBondContact O-N 3.32Å; Q266-R268 VanDerWaalsContact O-N 3.09Å; R268-L272 WeakPolarHBondContact O-CB 3.4Å; R268-L272 PolarHBondContact O-N 3.48Å
269M81.3Confident77.1Confident16 Ų1681.5 Ų81.58%0.07941%0.414CS..Hα-helixtrans-76.7-30.8178.8-59.6-66.1-71.900110.9Y236 A240 R244 Q266 A267 A273Y236-M269 WeakPolarHBondContact CE2-O 3.41Å; Y236-M269 VanDerWaalsContact OH-CE 3.27Å; Y236-M269 WeakPolarHBondContact OH-CE 3.41Å; A240-M269 HydrophobicContact CB-CE 3.85Å; R244-M269 HydrophobicContact CG-SD 4.05Å; Q266-M269 HydrophobicContact CB-CG 4.32Å; Q266-M269 PolarHBondContact O-N 3.35Å; A267-M269 VanDerWaalsContact C-N 3.33Å; A267-M269 PolarHBondContact O-N 2.96Å; M269-A273 PolarHBondContact O-N 3.01Å; M269-A273 VanDerWaalsContact O-N 3.09Å
270L82.8Confident78.7Confident77 Ų7776.5 Ų76.540%0.40338%0.381SS..Hα-helixtrans-69.7-44.6173.5-171.274.8000110.8I253 F261 Q266 A267 L272 A273 L274I253-L270 HydrophobicContact CD1-CD2 3.99Å; F261-L270 HydrophobicContact CE1-CD1 3.83Å; F261-L270 HydrophobicContact CE1-CD2 4.18Å; F261-L270 HydrophobicContact CZ-CD1 3.79Å; F261-L270 HydrophobicContact CZ-CD2 4.33Å; Q266-L270 PolarHBondContact O-N 3.43Å; A267-L270 WeakPolarHBondContact O-CB 3.5Å; A267-L270 PolarHBondContact O-N 2.98Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-L272 PolarHBondContact O-N 2.9Å; L270-A273 PolarHBondContact O-N 2.85Å; L270-L274 PolarHBondContact O-N 3.07Å
271L85.6Confident80.3Confident122 Ų12270.4 Ų70.464%0.63937%0.366SS*.Hα-helixtrans-59.2-44.1175.2-166.3163.7000110.7A267 A273 L274 F275A267-L271 PolarHBondContact O-N 3.44Å; L271-A273 PolarHBondContact O-N 3Å; L271-L274 PolarHBondContact O-N 3.11Å; L271-F275 WeakPolarHBondContact O-CB 3.34Å; L271-F275 PolarHBondContact O-N 2.96Å
272L87.5Confident82Confident10 Ų1071.4 Ų71.45%0.05238%0.376CS..Hα-helixtrans-59.7-44.7175.2179.962.2000112.3Y236 L239 A240 V243 R268 L270 L274 F275 C276Y236-L272 HydrophobicContact CD2-CB 4.45Å; Y236-L272 HydrophobicContact CD2-CD2 3.95Å; Y236-L272 HydrophobicContact CD2-CG 3.88Å; Y236-L272 HydrophobicContact CE2-CB 4.38Å; Y236-L272 HydrophobicContact CE2-CD2 4.07Å; Y236-L272 HydrophobicContact CE2-CG 4.2Å; L239-L272 HydrophobicContact CB-CD1 3.64Å; L239-L272 HydrophobicContact CB-CD2 4.02Å; L239-L272 HydrophobicContact CB-CG 4.41Å; L239-L272 HydrophobicContact CD1-CD1 3.8Å; L239-L272 HydrophobicContact CG-CD1 4.4Å; A240-L272 HydrophobicContact CB-CD2 4.12Å; V243-L272 HydrophobicContact CB-CD2 4.26Å; V243-L272 HydrophobicContact CG2-CD1 4.05Å; V243-L272 HydrophobicContact CG2-CD2 3.95Å; V243-L272 HydrophobicContact CG2-CG 4.41Å; R268-L272 WeakPolarHBondContact O-CB 3.4Å; R268-L272 PolarHBondContact O-N 3.48Å; L270-L272 VanDerWaalsContact C-N 3.3Å; L270-L272 PolarHBondContact O-N 2.9Å; L272-L274 VanDerWaalsContact C-N 3.33Å; L272-L274 PolarHBondContact O-N 3.02Å; L272-F275 PolarHBondContact O-N 3.44Å; L272-C276 PolarHBondContact O-N 3.41Å; L272-C276 PolarHBondContact O-SG 3.44Å
273A88.2Confident83.7Confident36 Ų3670.9 Ų70.930%0.29837%0.369SS..Hα-helixtrans-61-43.9177.200000111.6Y236 M269 L270 L271 F275 C276 V277Y236-A273 HydrophobicContact CD2-CB 4.06Å; Y236-A273 HydrophobicContact CE2-CB 3.95Å; M269-A273 PolarHBondContact O-N 3.01Å; M269-A273 VanDerWaalsContact O-N 3.09Å; L270-A273 PolarHBondContact O-N 2.85Å; L271-A273 PolarHBondContact O-N 3Å; A273-F275 VanDerWaalsContact C-N 3.35Å; A273-F275 PolarHBondContact O-N 3.21Å; A273-C276 PolarHBondContact O-N 3.36Å; A273-V277 WeakPolarHBondContact O-CG2 3.27Å; A273-V277 PolarHBondContact O-N 3.02Å
274L90.1Very high85.1Confident126 Ų12662.9 Ų62.966%0.6634%0.34SS*.Hα-helixtrans-63.3-41.2177.2-171.7140.2000111.8L270 L271 L272 V277 A278L270-L274 PolarHBondContact O-N 3.07Å; L271-L274 PolarHBondContact O-N 3.11Å; L272-L274 VanDerWaalsContact C-N 3.33Å; L272-L274 PolarHBondContact O-N 3.02Å; L274-V277 PolarHBondContact O-N 2.94Å; L274-A278 VanDerWaalsContact O-CB 3.29Å; L274-A278 WeakPolarHBondContact O-CB 3.48Å; L274-A278 PolarHBondContact O-N 3.47Å
275F92.5Very high86.4Confident107 Ų10761.2 Ų61.247%0.46934%0.344SS..Hα-helixtrans-60.8-47.4174.1175.7-99.1000111.9L239 L271 L272 A273 V277 A278 V279L239-F275 HydrophobicContact CD1-CD1 4.44Å; L239-F275 HydrophobicContact CD1-CE1 4.24Å; L271-F275 WeakPolarHBondContact O-CB 3.34Å; L271-F275 PolarHBondContact O-N 2.96Å; L272-F275 PolarHBondContact O-N 3.44Å; A273-F275 VanDerWaalsContact C-N 3.35Å; A273-F275 PolarHBondContact O-N 3.21Å; F275-V277 VanDerWaalsContact C-N 3.34Å; F275-V277 PolarHBondContact O-N 3.5Å; F275-A278 PolarHBondContact O-N 3.28Å; F275-V279 HydrophobicContact CD1-CG2 4.39Å; F275-V279 HydrophobicContact CD2-CG2 4.4Å; F275-V279 HydrophobicContact CE1-CG2 3.97Å; F275-V279 HydrophobicContact CE2-CG2 3.98Å; F275-V279 HydrophobicContact CZ-CG2 3.74Å; F275-V279 WeakPolarHBondContact O-CG2 3.49Å; F275-V279 PolarHBondContact O-N 3.49Å
276C92.9Very high87.3Confident1 Ų164.4 Ų64.41%0.00735%0.354CS..Hα-helixtrans-63.2-39.2179.3-64.50000112.6A232 L235 Y236 L272 A273 S280A232-C276 WeakPolarHBondContact O-CB 3.49Å; L235-C276 HydrophobicContact CB-CB 4.44Å; L235-C276 HydrophobicContact CD2-CB 4.25Å; L235-C276 HydrophobicContact CG-CB 4.48Å; Y236-C276 PolarHBondContact N-SG 2.91Å; L272-C276 PolarHBondContact O-N 3.41Å; L272-C276 PolarHBondContact O-SG 3.44Å; A273-C276 PolarHBondContact O-N 3.36Å; C276-S280 PolarHBondContact O-N 2.89Å; C276-S280 PolarHBondContact O-OG 3.23Å
277V93.6Very high87.7Confident81 Ų8165.8 Ų65.849%0.49136%0.357SS..Hα-helixtrans-65.8-46.6173.6172.70000110.6A232 A273 L274 F275 V279 S280 V281A232-V277 HydrophobicContact CB-CG2 4.45Å; A273-V277 WeakPolarHBondContact O-CG2 3.27Å; A273-V277 PolarHBondContact O-N 3.02Å; L274-V277 PolarHBondContact O-N 2.94Å; F275-V277 VanDerWaalsContact C-N 3.34Å; F275-V277 PolarHBondContact O-N 3.5Å; V277-V279 PolarHBondContact O-N 3.05Å; V277-S280 PolarHBondContact O-N 3.06Å; V277-S280 VanDerWaalsContact O-N 3.14Å; V277-V281 HydrophobicContact CG1-CG2 4.11Å; V277-V281 WeakPolarHBondContact O-CG2 3.44Å; V277-V281 PolarHBondContact O-N 3.47Å
278A93.1Very high87.4Confident44 Ų4468 Ų6836%0.36436%0.362SS..Hα-helixtrans-58.5-46.718000000111.9L274 F275 S280 V281 V282L274-A278 VanDerWaalsContact O-CB 3.29Å; L274-A278 WeakPolarHBondContact O-CB 3.48Å; L274-A278 PolarHBondContact O-N 3.47Å; F275-A278 PolarHBondContact O-N 3.28Å; A278-S280 VanDerWaalsContact C-N 3.3Å; A278-S280 PolarHBondContact O-N 3.08Å; A278-V281 PolarHBondContact O-N 3.1Å; A278-V282 WeakPolarHBondContact O-CB 3.43Å; A278-V282 WeakPolarHBondContact O-CG2 3.49Å; A278-V282 PolarHBondContact O-N 2.86Å
279V93.4Very high86.7Confident63 Ų6372.4 Ų72.438%0.38239%0.385SS..Hα-helixtrans-57.9-43.7176171.50000111.4L235 F275 V277 V282 W283L235-V279 HydrophobicContact CD2-CB 4.5Å; L235-V279 HydrophobicContact CD2-CG1 4.38Å; F275-V279 HydrophobicContact CD1-CG2 4.39Å; F275-V279 HydrophobicContact CD2-CG2 4.4Å; F275-V279 HydrophobicContact CE1-CG2 3.97Å; F275-V279 HydrophobicContact CE2-CG2 3.98Å; F275-V279 HydrophobicContact CZ-CG2 3.74Å; F275-V279 WeakPolarHBondContact O-CG2 3.49Å; F275-V279 PolarHBondContact O-N 3.49Å; V277-V279 PolarHBondContact O-N 3.05Å; V279-V282 PolarHBondContact O-N 3.32Å; V279-W283 PolarHBondContact O-N 3.09Å
280S92.1Very high85.1Confident8 Ų879.3 Ų79.36%0.05642%0.422CS..Hα-helixtrans-68.8-36.3-178.9-53.60000112.5C228 S231 A232 C276 V277 A278 G284C228-S280 PolarHBondContact SG-O 3.44Å; S231-S280 PolarHBondContact OG-OG 3.29Å; A232-S280 WeakPolarHBondContact CB-OG 3.49Å; A232-S280 PolarHBondContact N-OG 3.49Å; C276-S280 PolarHBondContact O-N 2.89Å; C276-S280 PolarHBondContact O-OG 3.23Å; V277-S280 PolarHBondContact O-N 3.06Å; V277-S280 VanDerWaalsContact O-N 3.14Å; A278-S280 VanDerWaalsContact C-N 3.3Å; A278-S280 PolarHBondContact O-N 3.08Å; S280-G284 PolarHBondContact O-N 3.34Å
281V90.6Very high83Confident83 Ų8386.6 Ų86.650%0.50345%0.454SS..Hα-helixtrans-70.8-45.5175.7171.60000111V277 A278 W283 G284 V285V277-V281 HydrophobicContact CG1-CG2 4.11Å; V277-V281 WeakPolarHBondContact O-CG2 3.44Å; V277-V281 PolarHBondContact O-N 3.47Å; A278-V281 PolarHBondContact O-N 3.1Å; V281-W283 VanDerWaalsContact C-N 3.32Å; V281-W283 PolarHBondContact O-N 3.11Å; V281-G284 PolarHBondContact O-N 3.39Å; V281-G284 VanDerWaalsContact O-N 3.08Å; V281-V285 HydrophobicContact CG1-CG2 4.25Å; V281-V285 WeakPolarHBondContact O-CG2 3.43Å; V281-V285 PolarHBondContact O-N 3.08Å
282V91.7Very high82.9Confident78 Ų7884.9 Ų84.947%0.47345%0.445SS..Hα-helixtrans-55.6-50.1176.1167.90000109.6A278 V279 G284 V285 F286A278-V282 WeakPolarHBondContact O-CB 3.43Å; A278-V282 WeakPolarHBondContact O-CG2 3.49Å; A278-V282 PolarHBondContact O-N 2.86Å; V279-V282 PolarHBondContact O-N 3.32Å; V282-G284 VanDerWaalsContact C-N 3.33Å; V282-G284 PolarHBondContact O-N 3.45Å; V282-V285 PolarHBondContact O-N 3.33Å; V282-F286 HydrophobicContact CG1-CD2 3.77Å; V282-F286 HydrophobicContact CG1-CE2 4.17Å; V282-F286 VanDerWaalsContact O-CD2 3.26Å; V282-F286 WeakPolarHBondContact O-CD2 3.26Å; V282-F286 PolarHBondContact O-N 3.36Å
283W90.8Very high82.7Confident126 Ų12688.8 Ų88.848%0.47747%0.466SS..Hα-helixtrans-57.4-45.9174.8-179.384.5000112.2I224 F227 V279 V281 V285 F286 R287I224-W283 HydrophobicContact CG2-CZ3 4.4Å; F227-W283 HydrophobicContact CD1-CE3 4.29Å; F227-W283 AromaticContact CD1-CH2 3.74Å; F227-W283 HydrophobicContact CD1-CH2 3.74Å; F227-W283 AromaticContact CD1-CZ3 3.55Å; F227-W283 HydrophobicContact CD1-CZ3 3.55Å; F227-W283 HydrophobicContact CE1-CE3 4.15Å; F227-W283 AromaticContact CE1-CH2 3.6Å; F227-W283 HydrophobicContact CE1-CH2 3.6Å; F227-W283 HydrophobicContact CE1-CZ2 4.05Å; F227-W283 AromaticContact CE1-CZ3 3.66Å; F227-W283 HydrophobicContact CE1-CZ3 3.66Å; V279-W283 PolarHBondContact O-N 3.09Å; V281-W283 VanDerWaalsContact C-N 3.32Å; V281-W283 PolarHBondContact O-N 3.11Å; W283-V285 VanDerWaalsContact C-N 3.32Å; W283-V285 PolarHBondContact O-N 3.34Å; W283-F286 PolarHBondContact O-N 3.28Å; W283-R287 WeakPolarHBondContact O-CB 3.46Å; W283-R287 PolarHBondContact O-N 3.04Å
284G87.9Confident82.3Confident22 Ų2291.7 Ų91.723%0.22748%0.475CS..Hα-helixtrans-62.7-33.7-179.700000114.6S280 V281 V282 R287S280-G284 PolarHBondContact O-N 3.34Å; V281-G284 PolarHBondContact O-N 3.39Å; V281-G284 VanDerWaalsContact O-N 3.08Å; V282-G284 VanDerWaalsContact C-N 3.33Å; V282-G284 PolarHBondContact O-N 3.45Å; G284-R287 WeakPolarHBondContact O-CG 3.4Å
285V87.9Confident81.9Confident94 Ų9489.7 Ų89.757%0.5746%0.464SS*.Hα-helixtrans-77.2-48.1177.7172.90000111V281 V282 W283 R287V281-V285 HydrophobicContact CG1-CG2 4.25Å; V281-V285 WeakPolarHBondContact O-CG2 3.43Å; V281-V285 PolarHBondContact O-N 3.08Å; V282-V285 PolarHBondContact O-N 3.33Å; W283-V285 VanDerWaalsContact C-N 3.32Å; W283-V285 PolarHBondContact O-N 3.34Å; V285-R287 PolarHBondContact O-N 3.47Å
286F85.5Confident81.2Confident109 Ų10988.6 Ų88.648%0.47846%0.464SS..Hα-helixtrans-82.5-7.8-173.6-72.8-73000114.4V282 W283 N288 E289V282-F286 HydrophobicContact CG1-CD2 3.77Å; V282-F286 HydrophobicContact CG1-CE2 4.17Å; V282-F286 VanDerWaalsContact O-CD2 3.26Å; V282-F286 WeakPolarHBondContact O-CD2 3.26Å; V282-F286 PolarHBondContact O-N 3.36Å; W283-F286 PolarHBondContact O-N 3.28Å; F286-N288 PolarHBondContact O-N 3.19Å; F286-E289 HydrophobicContact CD1-CG 4.24Å; F286-E289 WeakPolarHBondContact CD1-OE2 3.48Å; F286-E289 WeakPolarHBondContact CE1-OE2 3.48Å; F286-E289 PolarHBondContact O-N 3.39Å
287R80.6Confident80.4Confident96 Ų9694.5 Ų94.536%0.36249%0.494SS..THydrogen-bonded Turntrans-56.2-17.2-176.674.3177.8-172.483.3-1.7115.8I224 W283 G284 V285I224-R287 VanDerWaalsContact CD1-NH2 3.31Å; W283-R287 WeakPolarHBondContact O-CB 3.46Å; W283-R287 PolarHBondContact O-N 3.04Å; G284-R287 WeakPolarHBondContact O-CG 3.4Å; V285-R287 PolarHBondContact O-N 3.47Å
288N70.9Confident79.5Confident87 Ų8795.4 Ų95.447%0.46550%0.495SS..THydrogen-bonded Turntrans-123.27.2-170.3-154.287.5000113.4F286 D290F286-N288 PolarHBondContact O-N 3.19Å; N288-D290 VanDerWaalsContact C-N 3.27Å; N288-D290 PolarHBondContact O-N 3.1Å
289E62.5Low78.5Confident134 Ų13499.4 Ų99.463%0.62651%0.505SS*.THydrogen-bonded Turntrans-75.9-15.8178.9-70.6-160.7155.600113.1F286 Q291F286-E289 HydrophobicContact CD1-CG 4.24Å; F286-E289 WeakPolarHBondContact CD1-OE2 3.48Å; F286-E289 WeakPolarHBondContact CE1-OE2 3.48Å; F286-E289 PolarHBondContact O-N 3.39Å; E289-Q291 PolarHBondContact O-N 3.37Å
290D46.7Very low77.2Confident162 Ų162102.4 Ų102.487%0.86652%0.515SS*.THydrogen-bonded Turntrans-92.124.2-178.2-61.9-39.1000114.5N288N288-D290 VanDerWaalsContact C-N 3.27Å; N288-D290 PolarHBondContact O-N 3.1Å
291Q39.2Very low75.9Confident230 Ų230111 Ų111100%1.07556%0.557SS**  trans-1090173.5-77.3-155-35.400114.1E289E289-Q291 PolarHBondContact O-N 3.37Å

Retrieved 291 of 291 residues in 1657.8 ms (Link to these results)

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