A0A093ICH2_STRCA Loading...

GTPase IMAP family member GIMD1

AlphaFold DB , UniProt , Accession A0A093ICH2, Species STRCA (Struthio camelus australis), Gene n/a, Length 220 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
1M38Very low76.4Confident240 Ų24074.5 Ų74.5100%1.18242%0.418SS*.  01110-59.8179.894.200105.6E3M1-E3 PolarHBondContact O-N 2.99Å
2A40.8Very low78.2Confident104 Ų10468.4 Ų68.486%0.8638%0.384SS*.  trans-61.2122.6-178.200000108.2S4A2-S4 PolarHBondContact O-N 3.3Å; A2-S4 VanDerWaalsContact O-N 3.09Å
3E50.9Low79.6Confident179 Ų17963.2 Ų63.284%0.83636%0.355SS*.  trans-53.4121.8165.6-74.6-166.1155.200106.7M1 N5M1-E3 PolarHBondContact O-N 2.99Å; E3-N5 PolarHBondContact O-N 3.21Å
4S63.7Low80.7Confident82 Ų8258.6 Ų58.657%0.57333%0.329SS*.  trans-56111.4172.5168.40000107.2A2 E6A2-S4 PolarHBondContact O-N 3.3Å; A2-S4 VanDerWaalsContact O-N 3.09Å; S4-E6 PolarHBondContact O-N 3.2Å; S4-E6 PolarHBondContact OG-N 3.09Å; S4-E6 PolarHBondContact OG-O 3.12Å; S4-E6 VanDerWaalsContact OG-O 3.06Å
5N81Confident81.4Confident107 Ų10755.3 Ų55.357%0.57231%0.313SS*.SBendtrans-70.828.4173.6-116.112.2000111.8E3 A67E3-N5 PolarHBondContact O-N 3.21Å; N5-A67 PolarHBondContact O-N 3.47Å
6E88.3Confident81.8Confident28 Ų2853.9 Ų53.913%0.13130%0.301CS..EExtended strand (participates in β ladder)trans-139.1126.8-174.7-179.6173.750.700109.6S4 R54 A67 R69S4-E6 PolarHBondContact O-N 3.2Å; S4-E6 PolarHBondContact OG-N 3.09Å; S4-E6 PolarHBondContact OG-O 3.12Å; S4-E6 VanDerWaalsContact OG-O 3.06Å; E6-R54 VanDerWaalsContact CD-NE 3.33Å; E6-R54 IonicContact OE1-CZ 2.76Å; E6-R54 IonicContact OE1-NE 3.17Å; E6-R54 IonicContact OE1-NH2 2.86Å; E6-R54 PolarHBondContact OE1-NH2 2.86Å; E6-R54 WeakPolarHBondContact OE2-CD 3.35Å; E6-R54 WeakPolarHBondContact OE2-CG 3.44Å; E6-R54 IonicContact OE2-CZ 2.86Å; E6-R54 IonicContact OE2-NE 3.53Å; E6-R54 PolarHBondContact OE2-NE 2.95Å; E6-R54 IonicContact OE2-NH2 3.61Å; E6-A67 CarbonylContact C-O 3.57Å; E6-A67 WeakPolarHBondContact CA-O 3.4Å; E6-A67 HydrophobicContact CB-CB 4.33Å; E6-A67 HydrophobicContact CG-CB 4.42Å; E6-R69 HydrophobicContact CG-CB 4.26Å; E6-R69 IonicContact OE1-CZ 3.59Å; E6-R69 IonicContact OE1-NE 3.59Å; E6-R69 IonicContact OE1-NH2 2.76Å; E6-R69 PolarHBondContact OE1-NH2 2.92Å; E6-R69 IonicContact OE2-CZ 3.95Å; E6-R69 IonicContact OE2-NE 3.44Å; E6-R69 PolarHBondContact OE2-NE 2.99Å; E6-R69 IonicContact OE2-NH2 3Å; E6-R69 PolarHBondContact OE2-NH2 2.82Å
7M91.4Very high82.1Confident37 Ų3751.9 Ų51.918%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-101.2132.7169.3-178.5179.7177.400108.9I9 I59 A67 L68 R69 L202 Y210M7-I9 HydrophobicContact CE-CG2 3.82Å; M7-I59 HydrophobicContact CB-CD1 4.24Å; M7-I59 HydrophobicContact CG-CD1 4.46Å; M7-I59 HydrophobicContact SD-CD1 3.66Å; M7-A67 PolarHBondContact N-O 3.28Å; M7-L68 CarbonylContact O-C 3.59Å; M7-L68 WeakPolarHBondContact O-CA 3.29Å; M7-R69 PolarHBondContact O-N 2.84Å; M7-L202 HydrophobicContact CE-CD2 4.39Å; M7-L202 HydrophobicContact SD-CD2 4.39Å; M7-Y210 HydrophobicContact CE-CD1 3.49Å; M7-Y210 VanDerWaalsContact CE-CD1 3.49Å; M7-Y210 HydrophobicContact CE-CE1 3.51Å; M7-Y210 HydrophobicContact SD-CE1 4.27Å
8T94.6Very high82.2Confident43 Ų4354.8 Ų54.826%0.26430%0.301SS..EExtended strand (participates in β ladder)trans-107.9131.8173.6-630000110.1R69 R71 H105T8-R69 CarbonylContact C-O 3.51Å; T8-R69 VanDerWaalsContact CA-O 3.28Å; T8-R69 WeakPolarHBondContact CA-O 3.33Å; T8-R71 HydrophobicContact CG2-CG 3.92Å; T8-H105 PolarHBondContact O-CE1 3.5Å; T8-H105 VanDerWaalsContact O-CE1 3.25Å; T8-H105 PolarHBondContact O-NE2 2.86Å
9I96.3Very high82.6Confident0 Ų052.5 Ų52.50%029%0.289CS..EExtended strand (participates in β ladder)trans-111.5134.2169.766.1178.6000110.5M7 L11 L68 R69 V70 R71 L202 I205M7-I9 HydrophobicContact CE-CG2 3.82Å; I9-L11 HydrophobicContact CD1-CD1 4.2Å; I9-L11 HydrophobicContact CD1-CD2 4.43Å; I9-L11 HydrophobicContact CD1-CG 4.44Å; I9-L11 HydrophobicContact CG1-CG 4.4Å; I9-L68 HydrophobicContact CD1-CD1 4.16Å; I9-L68 HydrophobicContact CG1-CD1 4.04Å; I9-L68 HydrophobicContact CG2-CD1 3.98Å; I9-R69 PolarHBondContact N-O 2.95Å; I9-V70 HydrophobicContact CD1-CG1 4.38Å; I9-V70 HydrophobicContact CD1-CG2 4.1Å; I9-V70 HydrophobicContact CG1-CB 4.35Å; I9-V70 HydrophobicContact CG1-CG1 4.18Å; I9-V70 HydrophobicContact CG1-CG2 4.11Å; I9-R71 PolarHBondContact O-N 3.4Å; I9-L202 HydrophobicContact CD1-CD2 4.46Å; I9-L202 HydrophobicContact CG2-CD2 4.02Å; I9-I205 HydrophobicContact CB-CD1 4.15Å; I9-I205 HydrophobicContact CD1-CD1 4.33Å; I9-I205 HydrophobicContact CG2-CD1 3.9Å
10N97.7Very high82.9Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-105.2115.3179.1-61.9-35.8000109R71 F100 G103 L104 H105 L106N10-R71 WeakPolarHBondContact OD1-CD 3.39Å; N10-R71 PolarHBondContact OD1-NH1 2.91Å; N10-R71 VanDerWaalsContact OD1-NH1 3.15Å; N10-F100 HydrophobicContact CB-CD1 3.64Å; N10-F100 HydrophobicContact CB-CD2 3.97Å; N10-F100 HydrophobicContact CB-CE1 3.71Å; N10-F100 HydrophobicContact CB-CE2 4.03Å; N10-F100 HydrophobicContact CB-CG 3.8Å; N10-F100 HydrophobicContact CB-CZ 3.91Å; N10-G103 PolarHBondContact ND2-O 3.23Å; N10-L104 WeakPolarHBondContact O-CD1 3.29Å; N10-H105 PolarHBondContact N-ND1 3Å; N10-H105 WeakPolarHBondContact O-CB 3.49Å; N10-H105 PolarHBondContact O-N 2.74Å; N10-L106 PolarHBondContact O-N 2.94Å
11L98.3Very high83.4Confident0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-117144.3-177.9-53.2177.5000110I9 L28 V70 R71 V72 L73 F100 L106 L108 L201I9-L11 HydrophobicContact CD1-CD1 4.2Å; I9-L11 HydrophobicContact CD1-CD2 4.43Å; I9-L11 HydrophobicContact CD1-CG 4.44Å; I9-L11 HydrophobicContact CG1-CG 4.4Å; L11-L28 HydrophobicContact CD1-CD1 4.19Å; L11-V70 HydrophobicContact CD1-CG1 3.77Å; L11-V70 HydrophobicContact CG-CG1 4.49Å; L11-R71 PolarHBondContact N-O 2.76Å; L11-V72 HydrophobicContact CB-CG2 4.42Å; L11-V72 HydrophobicContact CD1-CG2 4.47Å; L11-V72 CarbonylContact O-C 3.56Å; L11-V72 WeakPolarHBondContact O-CA 3.39Å; L11-L73 PolarHBondContact O-N 3.19Å; L11-F100 WeakPolarHBondContact O-CE2 3.34Å; L11-F100 VanDerWaalsContact O-CZ 3.29Å; L11-F100 WeakPolarHBondContact O-CZ 3.34Å; L11-L106 VanDerWaalsContact CA-O 3.29Å; L11-L106 WeakPolarHBondContact CA-O 3.33Å; L11-L106 HydrophobicContact CD2-CB 3.79Å; L11-L108 HydrophobicContact CD1-CD1 4.46Å; L11-L201 HydrophobicContact CD1-CD1 3.98Å
12A97.7Very high86Confident1 Ų138 Ų381%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-121.7128.3170.600000109.3L73 L96 F100 L104 L106 A107 L108A12-L73 HydrophobicContact CB-CB 4.39Å; A12-L96 HydrophobicContact CB-CD2 3.96Å; A12-F100 HydrophobicContact CB-CE2 4.43Å; A12-L104 HydrophobicContact CB-CD1 3.81Å; A12-L106 PolarHBondContact N-O 2.92Å; A12-L106 VanDerWaalsContact N-O 3.12Å; A12-A107 CarbonylContact O-C 3.5Å; A12-A107 WeakPolarHBondContact O-CA 3.33Å; A12-L108 PolarHBondContact O-N 3.39Å
13V96.7Very high88.5Confident0 Ų034.1 Ų34.10%019%0.188CC..EExtended strand (participates in β ladder)trans-93.9122.8174.7-67.10000109.1K21 V72 L73 D74 T75 L108 V110V13-K21 HydrophobicContact CB-CB 4.34Å; V13-K21 HydrophobicContact CG2-CB 4.04Å; V13-V72 HydrophobicContact CG1-CG1 3.97Å; V13-V72 HydrophobicContact CG2-CG1 4.24Å; V13-L73 WeakPolarHBondContact CG2-O 3.11Å; V13-L73 PolarHBondContact N-O 3.02Å; V13-D74 HydrophobicContact CG2-CB 4.18Å; V13-D74 WeakPolarHBondContact CG2-OD1 3.33Å; V13-T75 WeakPolarHBondContact O-CG2 3.27Å; V13-T75 PolarHBondContact O-OG1 3.27Å; V13-L108 HydrophobicContact CG1-CB 4.22Å; V13-L108 HydrophobicContact CG1-CD1 4.18Å; V13-V110 HydrophobicContact CB-CG2 4.14Å; V13-V110 HydrophobicContact CG1-CG2 4.45Å
14L94.3Very high90.6Very high0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-127.6147.1-175.5-57.6173.7000108.4T75 V92 A107 L108 L109 V110 F128 I129 L132L14-T75 HydrophobicContact CD2-CG2 3.78Å; L14-V92 HydrophobicContact CD2-CG1 4.18Å; L14-A107 HydrophobicContact CD1-CB 3.87Å; L14-L108 PolarHBondContact N-O 2.86Å; L14-L109 CarbonylContact O-C 3.6Å; L14-L109 WeakPolarHBondContact O-CA 3.44Å; L14-V110 PolarHBondContact O-N 3.37Å; L14-F128 HydrophobicContact CD2-CE1 4.04Å; L14-I129 HydrophobicContact CB-CD1 4.11Å; L14-I129 HydrophobicContact CB-CG1 4.31Å; L14-I129 HydrophobicContact CD1-CD1 4.14Å; L14-I129 HydrophobicContact CD1-CG1 3.71Å; L14-L132 HydrophobicContact CD1-CD2 4Å; L14-L132 HydrophobicContact CD2-CD2 4.43Å
15G91.4Very high92.1Very high8 Ų821.7 Ų21.78%0.08212%0.121CC..  trans152166.9-171.200000112.1K21 S77G15-K21 WeakPolarHBondContact O-CD 3.47Å; G15-K21 WeakPolarHBondContact O-CE 3.36Å; G15-K21 PolarHBondContact O-NZ 3.26Å; G15-S77 WeakPolarHBondContact O-CB 3.39Å
16R88.6Confident92.7Very high34 Ų3416.7 Ų16.713%0.1289%0.094CC..  trans-70.1168-178.1-67179.766.5-164.86.6112.6T19 K21 E121 T125R16-T19 HydrophobicContact CB-CG2 3.84Å; R16-T19 PolarHBondContact O-N 3.06Å; R16-T19 PolarHBondContact O-OG1 3.37Å; R16-K21 PolarHBondContact O-NZ 2.89Å; R16-E121 IonicContact CZ-OE1 3.69Å; R16-E121 IonicContact CZ-OE2 3.38Å; R16-E121 VanDerWaalsContact NH1-CB 3.34Å; R16-E121 IonicContact NH1-OE1 2.76Å; R16-E121 PolarHBondContact NH1-OE1 3.49Å; R16-E121 IonicContact NH1-OE2 3.52Å; R16-E121 PolarHBondContact NH1-OE2 2.86Å; R16-E121 VanDerWaalsContact NH2-CD 3.33Å; R16-E121 IonicContact NH2-OE1 2.68Å; R16-E121 PolarHBondContact NH2-OE1 3.25Å; R16-E121 IonicContact NH2-OE2 3.5Å; R16-T125 WeakPolarHBondContact CG-OG1 3.44Å
17T85.3Confident93Very high20 Ų2015.5 Ų15.512%0.1239%0.089CC..THydrogen-bonded Turntrans-58.1144.1171.7-50.90000109.4T19 S77 P79T17-T19 PolarHBondContact O-N 2.94Å; T17-T19 VanDerWaalsContact O-N 3.08Å; T17-S77 PolarHBondContact N-OG 3.34Å; T17-S77 WeakPolarHBondContact OG1-CB 3.39Å; T17-S77 PolarHBondContact OG1-OG 3.45Å; T17-P79 PolarHBondContact OG1-O 3.36Å
18Q84.4Confident93.1Very high103 Ų10313.9 Ų13.948%0.4818%0.081SC..THydrogen-bonded Turntrans61.99-179.4-61.4172.9-21.400117.2G20 S39 R112Q18-G20 PolarHBondContact O-N 2.96Å; Q18-S39 PolarHBondContact NE2-O 3.01Å; Q18-R112 PolarHBondContact O-NH1 2.99Å
19T89.4Confident93.1Very high12 Ų1211.9 Ų11.97%0.0747%0.069CC..SBendtrans-73.9-7.9170.955.60000113.6R16 T17 V110 T146R16-T19 HydrophobicContact CB-CG2 3.84Å; R16-T19 PolarHBondContact O-N 3.06Å; R16-T19 PolarHBondContact O-OG1 3.37Å; T17-T19 PolarHBondContact O-N 2.94Å; T17-T19 VanDerWaalsContact O-N 3.08Å; T19-V110 VanDerWaalsContact O-CG1 3.28Å; T19-V110 WeakPolarHBondContact O-CG1 3.48Å; T19-T146 WeakPolarHBondContact O-CG2 3.21Å; T19-T146 PolarHBondContact O-OG1 3.35Å
20G90.1Very high92.9Very high18 Ų1813.4 Ų13.419%0.1868%0.084CC..  trans89.823.5178.800000115Q18 S22 A23 A24Q18-G20 PolarHBondContact O-N 2.96Å; G20-S22 PolarHBondContact O-N 3.17Å; G20-A23 PolarHBondContact O-N 3.09Å; G20-A24 VanDerWaalsContact O-CB 3.32Å; G20-A24 WeakPolarHBondContact O-CB 3.36Å; G20-A24 PolarHBondContact O-N 3.36Å
21K93.1Very high92.5Very high10 Ų1015.1 Ų15.14%0.04310%0.097CC..Hα-helixtrans-51.4-53.8178.4-66.9-168.5-60.7-67.10114.2V13 G15 R16 A23 A24 G25 T75 S77 V110V13-K21 HydrophobicContact CB-CB 4.34Å; V13-K21 HydrophobicContact CG2-CB 4.04Å; G15-K21 WeakPolarHBondContact O-CD 3.47Å; G15-K21 WeakPolarHBondContact O-CE 3.36Å; G15-K21 PolarHBondContact O-NZ 3.26Å; R16-K21 PolarHBondContact O-NZ 2.89Å; K21-A23 PolarHBondContact O-N 2.8Å; K21-A24 WeakPolarHBondContact O-CB 3.48Å; K21-A24 PolarHBondContact O-N 2.7Å; K21-G25 PolarHBondContact O-N 2.89Å; K21-T75 WeakPolarHBondContact CE-O 3.37Å; K21-S77 PolarHBondContact NZ-OG 2.89Å; K21-V110 HydrophobicContact CG-CB 3.95Å; K21-V110 HydrophobicContact CG-CG1 4.41Å; K21-V110 HydrophobicContact CG-CG2 3.91Å
22S92.6Very high92Very high12 Ų1223.5 Ų23.58%0.08413%0.129CC..Hα-helixtrans-65.4-40.4-177.1-46.40000111.4G20 G25 N26 D74G20-S22 PolarHBondContact O-N 3.17Å; S22-G25 PolarHBondContact O-N 2.86Å; S22-N26 PolarHBondContact O-N 2.9Å; S22-N26 PolarHBondContact O-ND2 2.81Å; S22-D74 WeakPolarHBondContact CB-OD2 3.42Å; S22-D74 PolarHBondContact OG-OD2 3.11Å
23A92.8Very high91.6Very high22 Ų2227.3 Ų27.318%0.18215%0.149CC..Hα-helixtrans-64.1-4117400000112.4G20 K21 N26 S27 N185G20-A23 PolarHBondContact O-N 3.09Å; K21-A23 PolarHBondContact O-N 2.8Å; A23-N26 PolarHBondContact O-N 3.06Å; A23-S27 PolarHBondContact O-N 3.08Å; A23-S27 PolarHBondContact O-OG 2.84Å; A23-N185 HydrophobicContact CB-CB 4.31Å
24A94.6Very high91.3Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-64-41173.500000111.7G20 K21 S27 L28 L144 T146 L183G20-A24 VanDerWaalsContact O-CB 3.32Å; G20-A24 WeakPolarHBondContact O-CB 3.36Å; G20-A24 PolarHBondContact O-N 3.36Å; K21-A24 WeakPolarHBondContact O-CB 3.48Å; K21-A24 PolarHBondContact O-N 2.7Å; A24-S27 WeakPolarHBondContact O-CB 3.23Å; A24-S27 PolarHBondContact O-N 3.19Å; A24-L28 VanDerWaalsContact O-CG 3.28Å; A24-L28 WeakPolarHBondContact O-CG 3.35Å; A24-L28 PolarHBondContact O-N 2.77Å; A24-L144 HydrophobicContact CB-CD2 3.58Å; A24-T146 HydrophobicContact CB-CG2 4.47Å; A24-L183 HydrophobicContact CB-CD2 3.67Å
25G95.3Very high90.8Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-58.4-48173.600000112K21 S22 S27 L28 L29K21-G25 PolarHBondContact O-N 2.89Å; S22-G25 PolarHBondContact O-N 2.86Å; G25-S27 VanDerWaalsContact C-N 3.31Å; G25-S27 PolarHBondContact O-N 3.42Å; G25-L28 PolarHBondContact O-N 3.46Å; G25-L29 WeakPolarHBondContact O-CB 3.39Å; G25-L29 WeakPolarHBondContact O-CG 3.5Å; G25-L29 PolarHBondContact O-N 3.18Å
26N93.9Very high90.4Very high2 Ų236.3 Ų36.31%0.01120%0.195CC..Hα-helixtrans-58.4-42.4174.9-72.2-17.3000112.3S22 A23 L28 L29 G30 S31 D33 F34 S36S22-N26 PolarHBondContact O-N 2.9Å; S22-N26 PolarHBondContact O-ND2 2.81Å; A23-N26 PolarHBondContact O-N 3.06Å; N26-L28 PolarHBondContact O-N 3.38Å; N26-L29 PolarHBondContact O-N 3.01Å; N26-G30 WeakPolarHBondContact O-CA 3.41Å; N26-G30 PolarHBondContact O-N 3.23Å; N26-S31 CarbonylContact C-O 3.47Å; N26-S31 WeakPolarHBondContact CA-O 3.31Å; N26-S31 WeakPolarHBondContact CB-O 3.13Å; N26-S31 PolarHBondContact O-N 3.03Å; N26-S31 VanDerWaalsContact O-O 3.14Å; N26-S31 PolarHBondContact OD1-O 3Å; N26-D33 PolarHBondContact OD1-N 3.15Å; N26-D33 VanDerWaalsContact OD1-N 3.1Å; N26-F34 PolarHBondContact ND2-O 2.89Å; N26-F34 WeakPolarHBondContact OD1-CB 3.36Å; N26-F34 WeakPolarHBondContact OD1-CD2 3.34Å; N26-F34 PolarHBondContact OD1-N 2.93Å; N26-S36 PolarHBondContact ND2-OG 3.43Å
27S93.7Very high89.8Confident3 Ų339.4 Ų39.42%0.02121%0.211CC..Hα-helixtrans-58.3-45.5175.6-57.60000112.2A23 A24 G25 G30 S188 R194A23-S27 PolarHBondContact O-N 3.08Å; A23-S27 PolarHBondContact O-OG 2.84Å; A24-S27 WeakPolarHBondContact O-CB 3.23Å; A24-S27 PolarHBondContact O-N 3.19Å; G25-S27 VanDerWaalsContact C-N 3.31Å; G25-S27 PolarHBondContact O-N 3.42Å; S27-G30 PolarHBondContact O-N 3.38Å; S27-S188 WeakPolarHBondContact CB-OG 3.07Å; S27-S188 PolarHBondContact OG-OG 2.84Å; S27-R194 WeakPolarHBondContact O-CD 3.46Å
28L94.5Very high89.1Confident3 Ų346.2 Ų46.22%0.01625%0.246CC..Hα-helixtrans-67.1-39.4178.9-65.9169.8000112L11 A24 G25 N26 G30 V72 L108 R194 I197 L198 L201L11-L28 HydrophobicContact CD1-CD1 4.19Å; A24-L28 VanDerWaalsContact O-CG 3.28Å; A24-L28 WeakPolarHBondContact O-CG 3.35Å; A24-L28 PolarHBondContact O-N 2.77Å; G25-L28 PolarHBondContact O-N 3.46Å; N26-L28 PolarHBondContact O-N 3.38Å; L28-G30 VanDerWaalsContact C-N 3.34Å; L28-V72 HydrophobicContact CB-CG2 3.99Å; L28-V72 HydrophobicContact CD1-CG2 4.24Å; L28-L108 HydrophobicContact CD1-CD1 3.46Å; L28-L108 VanDerWaalsContact CD1-CD1 3.46Å; L28-R194 PolarHBondContact O-NE 3.13Å; L28-R194 PolarHBondContact O-NH2 2.81Å; L28-I197 HydrophobicContact CD2-CG2 3.66Å; L28-L198 HydrophobicContact CD2-CD2 4.32Å; L28-L201 HydrophobicContact CD2-CD1 3.56Å
29L94.4Very high88.3Confident2 Ų242.3 Ų42.31%0.0123%0.23CC..Hα-helixtrans-74.5-25.4178.8-64.9171.5000112.8G25 N26 D33 F34 S52 V72 R194G25-L29 WeakPolarHBondContact O-CB 3.39Å; G25-L29 WeakPolarHBondContact O-CG 3.5Å; G25-L29 PolarHBondContact O-N 3.18Å; N26-L29 PolarHBondContact O-N 3.01Å; L29-D33 HydrophobicContact CD1-CB 3.95Å; L29-F34 HydrophobicContact CD1-CD2 4.22Å; L29-F34 HydrophobicContact CD1-CE2 3.42Å; L29-F34 VanDerWaalsContact CD1-CE2 3.42Å; L29-F34 HydrophobicContact CD1-CZ 3.69Å; L29-S52 WeakPolarHBondContact O-CB 3.18Å; L29-V72 HydrophobicContact CD1-CB 4.29Å; L29-V72 HydrophobicContact CD1-CG2 4.49Å; L29-V72 HydrophobicContact CD2-CB 4.18Å; L29-V72 HydrophobicContact CD2-CG2 3.78Å; L29-V72 HydrophobicContact CG-CB 4.22Å; L29-V72 HydrophobicContact CG-CG2 3.89Å; L29-R194 VanDerWaalsContact C-CZ 3.45Å; L29-R194 PolarHBondContact O-NH1 3.36Å; L29-R194 PolarHBondContact O-NH2 3.4Å
30G91.3Very high86.9Confident31 Ų3148 Ų4832%0.3227%0.267SS..THydrogen-bonded Turntrans66.727.6-172.100000112.8N26 S27 L28N26-G30 WeakPolarHBondContact O-CA 3.41Å; N26-G30 PolarHBondContact O-N 3.23Å; S27-G30 PolarHBondContact O-N 3.38Å; L28-G30 VanDerWaalsContact C-N 3.34Å
31S89.8Confident85.6Confident37 Ų3750.6 Ų50.626%0.25928%0.282SS..SBendtrans-149168-179.960.60000109.7N26 D33N26-S31 CarbonylContact C-O 3.47Å; N26-S31 WeakPolarHBondContact CA-O 3.31Å; N26-S31 WeakPolarHBondContact CB-O 3.13Å; N26-S31 PolarHBondContact O-N 3.03Å; N26-S31 VanDerWaalsContact O-O 3.14Å; N26-S31 PolarHBondContact OD1-O 3Å; S31-D33 WeakPolarHBondContact CB-OD1 3.37Å; S31-D33 PolarHBondContact O-N 3.06Å; S31-D33 PolarHBondContact OG-OD1 3.35Å; S31-D33 PolarHBondContact OG-OD2 3.44Å
32Y89.1Confident84.3Confident176 Ų17651 Ų5169%0.6929%0.286SS*.  trans-100.657.3178.8-63-81.1000111.1F34 I189Y32-F34 VanDerWaalsContact C-N 3.32Å; Y32-I189 HydrophobicContact CE1-CD1 3.67Å; Y32-I189 HydrophobicContact CE2-CD1 4.45Å; Y32-I189 WeakPolarHBondContact OH-CD1 3.38Å
33D87.9Confident82.9Confident80 Ų8053 Ų5343%0.42830%0.298SS..  trans-73.6-26-177.4-69.45.5000112.3N26 L29 S31 C51N26-D33 PolarHBondContact OD1-N 3.15Å; N26-D33 VanDerWaalsContact OD1-N 3.1Å; L29-D33 HydrophobicContact CD1-CB 3.95Å; S31-D33 WeakPolarHBondContact CB-OD1 3.37Å; S31-D33 PolarHBondContact O-N 3.06Å; S31-D33 PolarHBondContact OG-OD1 3.35Å; S31-D33 PolarHBondContact OG-OD2 3.44Å; D33-C51 PolarHBondContact OD2-N 2.98Å
34F90.3Very high81.8Confident12 Ų1253 Ų535%0.05330%0.295CS..SBendtrans-110.4138.6-179.2-48.8-53000111.3N26 L29 Y32 S36 S48 V72 D74N26-F34 PolarHBondContact ND2-O 2.89Å; N26-F34 WeakPolarHBondContact OD1-CB 3.36Å; N26-F34 WeakPolarHBondContact OD1-CD2 3.34Å; N26-F34 PolarHBondContact OD1-N 2.93Å; L29-F34 HydrophobicContact CD1-CD2 4.22Å; L29-F34 HydrophobicContact CD1-CE2 3.42Å; L29-F34 VanDerWaalsContact CD1-CE2 3.42Å; L29-F34 HydrophobicContact CD1-CZ 3.69Å; Y32-F34 VanDerWaalsContact C-N 3.32Å; F34-S36 PolarHBondContact O-N 3.35Å; F34-S48 WeakPolarHBondContact CE1-O 2.88Å; F34-V72 HydrophobicContact CE2-CB 4.2Å; F34-V72 HydrophobicContact CE2-CG1 4.09Å; F34-V72 HydrophobicContact CZ-CB 4.26Å; F34-V72 HydrophobicContact CZ-CG1 4.38Å; F34-V72 WeakPolarHBondContact CZ-O 3.44Å; F34-D74 HydrophobicContact CD1-CB 3.88Å; F34-D74 HydrophobicContact CD2-CB 4.11Å; F34-D74 HydrophobicContact CE1-CB 3.83Å; F34-D74 HydrophobicContact CE2-CB 4.06Å; F34-D74 HydrophobicContact CG-CB 4.01Å; F34-D74 HydrophobicContact CZ-CB 3.91Å
35E84.8Confident80.9Confident131 Ų13156 Ų5661%0.61231%0.314SS*.  trans-68117.3172.2-172.1171.2-162.900110H37E35-H37 WeakPolarHBondContact CG-ND1 3.21Å; E35-H37 IonicContact OE1-CE1 3.52Å; E35-H37 PolarHBondContact OE1-CE1 3.16Å; E35-H37 IonicContact OE1-ND1 3.68Å
36S81.7Confident80.2Confident54 Ų5459.3 Ų59.338%0.37834%0.337SS..  trans-133.4100.5-178.365.30000110.7N26 F34N26-S36 PolarHBondContact ND2-OG 3.43Å; F34-S36 PolarHBondContact O-N 3.35Å
37H76.3Confident80.1Confident100 Ų10060.4 Ų60.446%0.46334%0.344SS..  trans-144.3159.5173.559.8-94.1000110.5E35 S39E35-H37 WeakPolarHBondContact CG-ND1 3.21Å; E35-H37 IonicContact OE1-CE1 3.52Å; E35-H37 PolarHBondContact OE1-CE1 3.16Å; E35-H37 IonicContact OE1-ND1 3.68Å; H37-S39 PolarHBondContact O-N 3.28Å
38L70.7Confident80.2Confident162 Ų16262.9 Ų62.985%0.84836%0.362SS*.  trans-68.3119.1176.1-169.782.1000109
39S67.3Low80.3Confident22 Ų2265.3 Ų65.315%0.15437%0.374CS..  trans-137.6140.9175.6171.70000109.6Q18 H37 S41Q18-S39 PolarHBondContact NE2-O 3.01Å; H37-S39 PolarHBondContact O-N 3.28Å; S39-S41 WeakPolarHBondContact CB-O 3.31Å; S39-S41 PolarHBondContact O-N 3Å; S39-S41 PolarHBondContact OG-N 3.45Å; S39-S41 PolarHBondContact OG-O 3.41Å
40P61.3Low80.4Confident130 Ų13065.4 Ų65.484%0.84438%0.375SS*.SBendtrans-65.8-11.7176.227.5-34.5000113.7
41S61.7Low80.6Confident73 Ų7366.9 Ų66.951%0.5138%0.38SS..SBendtrans-130.5156.6175.462.70000111.8S39 V43S39-S41 WeakPolarHBondContact CB-O 3.31Å; S39-S41 PolarHBondContact O-N 3Å; S39-S41 PolarHBondContact OG-N 3.45Å; S39-S41 PolarHBondContact OG-O 3.41Å; S41-V43 PolarHBondContact O-N 3.21Å
42S65.9Low80.9Confident19 Ų1965.5 Ų65.513%0.13337%0.371CS..  trans-61.5117.9176.7-170.70000111.1T44 H80S42-T44 PolarHBondContact OG-O 3.5Å; S42-H80 WeakPolarHBondContact CB-O 3.35Å; S42-H80 PolarHBondContact N-O 3.18Å
43V64.4Low81Confident53 Ų5361.3 Ų61.332%0.32137%0.367SS..  trans-77.1-34.4174-67.70000112S41 T45S41-V43 PolarHBondContact O-N 3.21Å; V43-T45 PolarHBondContact O-N 2.89Å
44T69.1Low81.2Confident22 Ų2264.8 Ų64.814%0.13537%0.374CS..  trans-78.1108.1-179.9-45.80000110.4S42 C46S42-T44 PolarHBondContact OG-O 3.5Å; T44-C46 VanDerWaalsContact CG2-O 3.25Å; T44-C46 WeakPolarHBondContact CG2-O 3.23Å
45T74.9Confident81.2Confident64 Ų6465.4 Ų65.439%0.39338%0.377SS..  trans-104.2-18.7176.857.30000112.9V43 L83 R91V43-T45 PolarHBondContact O-N 2.89Å; T45-L83 WeakPolarHBondContact O-CD1 3.22Å; T45-R91 PolarHBondContact O-NH1 3.12Å
46C82.2Confident81.4Confident70 Ų7063 Ų6347%0.47338%0.375SS..SBendtrans-127.1161179.4-70.80000110.8T44T44-C46 VanDerWaalsContact CG2-O 3.25Å; T44-C46 WeakPolarHBondContact CG2-O 3.23Å
47C91.9Very high81.5Confident24 Ų2462.6 Ų62.616%0.16238%0.38CS..  trans-76.1139.1170.4-54.50000109.4L73 D74 P76 A95C47-L73 HydrophobicContact CB-CD1 4.06Å; C47-L73 HydrophobicContact CB-CG 4.34Å; C47-D74 CarbonylContact C-O 3.54Å; C47-D74 VanDerWaalsContact CA-O 3.23Å; C47-D74 WeakPolarHBondContact CA-O 3.35Å; C47-P76 WeakPolarHBondContact SG-CD 3.3Å; C47-A95 HydrophobicContact CB-CB 3.45Å; C47-A95 VanDerWaalsContact CB-CB 3.45Å
48S94.2Very high81.8Confident56 Ų5659.3 Ų59.339%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-127.7132.5-179.7-66.10000109.8F34 L73 D74F34-S48 WeakPolarHBondContact CE1-O 2.88Å; S48-L73 WeakPolarHBondContact O-CA 3.49Å; S48-D74 PolarHBondContact N-O 3.48Å; S48-D74 PolarHBondContact O-N 3.47Å
49L96.8Very high82.3Confident54 Ų5452.6 Ų52.628%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-100.2116.1177.2179.275000109.8R71 V72 L73 H99 F100L49-R71 HydrophobicContact CD1-CB 4.25Å; L49-V72 WeakPolarHBondContact CA-O 3.28Å; L49-L73 HydrophobicContact CB-CD1 4.28Å; L49-H99 HydrophobicContact CD1-CB 4.43Å; L49-H99 HydrophobicContact CD2-CB 4.16Å; L49-F100 HydrophobicContact CD1-CE1 3.63Å; L49-F100 HydrophobicContact CD1-CZ 4.07Å
50G96.6Very high83Confident3 Ų360.1 Ų60.13%0.03136%0.356CS..EExtended strand (participates in β ladder)trans-100.7152.5168.900000111.3R71 V72G50-R71 WeakPolarHBondContact O-CA 3.37Å; G50-V72 PolarHBondContact N-O 2.84Å; G50-V72 PolarHBondContact O-N 2.86Å
51C96.3Very high83.7Confident62 Ų6262.2 Ų62.242%0.41935%0.347SS..EExtended strand (participates in β ladder)trans-138.2123.6-177-66.80000110.3D33 V70D33-C51 PolarHBondContact OD2-N 2.98Å; C51-V70 WeakPolarHBondContact CA-O 3.27Å
52S94.8Very high84.6Confident9 Ų966.1 Ų66.16%0.06336%0.363CS..PPolyproline II helixtrans-69.7159178.877.10000111.7L29 V70L29-S52 WeakPolarHBondContact O-CB 3.18Å; S52-V70 PolarHBondContact N-O 2.76Å; S52-V70 PolarHBondContact OG-N 3.37Å
53S92.1Very high85.2Confident87 Ų8768.8 Ų68.861%0.60839%0.393SS*.PPolyproline II helixtrans-60.3167.6157.559.90000111.2I55S53-I55 WeakPolarHBondContact O-CG1 3.31Å; S53-I55 PolarHBondContact O-N 2.83Å
54R92Very high86Confident154 Ų15469.7 Ų69.758%0.58140%0.401SS*.PPolyproline II helixtrans-63.8125.8172.9-81.6-176.3172.2-1791110.4E6 A67E6-R54 VanDerWaalsContact CD-NE 3.33Å; E6-R54 IonicContact OE1-CZ 2.76Å; E6-R54 IonicContact OE1-NE 3.17Å; E6-R54 IonicContact OE1-NH2 2.86Å; E6-R54 PolarHBondContact OE1-NH2 2.86Å; E6-R54 WeakPolarHBondContact OE2-CD 3.35Å; E6-R54 WeakPolarHBondContact OE2-CG 3.44Å; E6-R54 IonicContact OE2-CZ 2.86Å; E6-R54 IonicContact OE2-NE 3.53Å; E6-R54 PolarHBondContact OE2-NE 2.95Å; E6-R54 IonicContact OE2-NH2 3.61Å; R54-A67 HydrophobicContact CB-CB 4.4Å; R54-A67 HydrophobicContact CG-CB 4.34Å
55I90.8Very high86.7Confident24 Ų2472.6 Ų72.612%0.12341%0.413CS..EExtended strand (participates in β ladder)trans-107.7112.4180-45.1171.5000108.2S53 V58 A67 L68 V70 L198S53-I55 WeakPolarHBondContact O-CG1 3.31Å; S53-I55 PolarHBondContact O-N 2.83Å; I55-V58 HydrophobicContact CG2-CG2 3.64Å; I55-A67 CarbonylContact O-C 3.54Å; I55-A67 WeakPolarHBondContact O-CA 3.4Å; I55-L68 HydrophobicContact CB-CB 4.26Å; I55-L68 HydrophobicContact CD1-CD2 4.37Å; I55-L68 PolarHBondContact N-O 2.81Å; I55-L68 PolarHBondContact O-N 2.78Å; I55-V70 HydrophobicContact CD1-CG2 3.82Å; I55-L198 HydrophobicContact CD1-CD1 3.48Å; I55-L198 VanDerWaalsContact CD1-CD1 3.48Å
56S88.6Confident87.3Confident81 Ų8170.7 Ų70.757%0.56640%0.4SS*.EExtended strand (participates in β ladder)trans-91.1163.6176.5-61.60000111.1V58 E65S56-V58 VanDerWaalsContact C-N 3.29Å; S56-V58 PolarHBondContact O-N 3.26Å; S56-E65 VanDerWaalsContact CB-OE1 3.31Å; S56-E65 WeakPolarHBondContact CB-OE1 3.37Å
57G83.6Confident87.8Confident46 Ų4668 Ų6847%0.47438%0.383SS..EExtended strand (participates in β ladder)trans80.2-3.4171.400000116.3E65G57-E65 WeakPolarHBondContact CA-OE1 3.41Å; G57-E65 PolarHBondContact N-OE1 3.25Å
58V81.9Confident87.9Confident31 Ų3166.9 Ų66.919%0.18838%0.375CS..EExtended strand (participates in β ladder)trans-91.3-34-176.6-1770000112.3I55 S56 L68 L202I55-V58 HydrophobicContact CG2-CG2 3.64Å; S56-V58 VanDerWaalsContact C-N 3.29Å; S56-V58 PolarHBondContact O-N 3.26Å; V58-L68 HydrophobicContact CG1-CD2 4.29Å; V58-L202 HydrophobicContact CG1-CD1 3.55Å
59I82.2Confident87.9Confident20 Ų2068.3 Ų68.310%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-123132.9-173.9-56179.4000110.1M7 L66 L68 L202M7-I59 HydrophobicContact CB-CD1 4.24Å; M7-I59 HydrophobicContact CG-CD1 4.46Å; M7-I59 HydrophobicContact SD-CD1 3.66Å; I59-L66 HydrophobicContact CB-CB 4.32Å; I59-L66 HydrophobicContact CG2-CB 4.26Å; I59-L66 PolarHBondContact O-N 3.15Å; I59-L68 HydrophobicContact CD1-CB 4.09Å; I59-L68 HydrophobicContact CD1-CD1 3.94Å; I59-L68 HydrophobicContact CD1-CG 4.42Å; I59-L202 HydrophobicContact CD1-CD1 3.72Å; I59-L202 HydrophobicContact CD1-CD2 3.8Å; I59-L202 HydrophobicContact CD1-CG 4.43Å; I59-L202 HydrophobicContact CG1-CD1 3.61Å
60R81.3Confident87.9Confident181 Ų18165.8 Ų65.868%0.68336%0.359SS*.EExtended strand (participates in β ladder)trans-121.6131.7165.4-68.9-172.8170.3103.36.2110.2C64 E65R60-C64 CarbonylContact C-O 3.45Å; R60-C64 VanDerWaalsContact CA-O 3.27Å; R60-C64 WeakPolarHBondContact CA-O 3.44Å; R60-E65 IonicContact NH2-OE2 3.92Å
61R77.2Confident88Confident173 Ų17368 Ų6865%0.65337%0.366SS*.EExtended strand (participates in β ladder)trans-131.9125.9173.2-168.1179.1179175.6-1.3108.2G63 C64 L66R61-G63 PolarHBondContact O-N 2.74Å; R61-C64 PolarHBondContact N-O 3.25Å; R61-C64 PolarHBondContact O-N 2.93Å; R61-L66 HydrophobicContact CB-CD1 3.47Å; R61-L66 VanDerWaalsContact CB-CD1 3.47Å
62N79.3Confident88.1Confident156 Ų15665 Ų6583%0.83435%0.347SS*.THydrogen-bonded Turntrans53.735.6-179.5-55.7-16000113.9C64N62-C64 PolarHBondContact O-N 2.91Å
63G78.8Confident88.2Confident75 Ų7564.6 Ų64.677%0.77334%0.344SS*.THydrogen-bonded Turntrans80.3-8.1-178.100000115.2R61R61-G63 PolarHBondContact O-N 2.74Å
64C80.6Confident88.4Confident72 Ų7260.6 Ų60.649%0.48632%0.315SS..EExtended strand (participates in β ladder)trans-93.1142175.1-64.20000111.1R60 R61 N62R60-C64 CarbonylContact C-O 3.45Å; R60-C64 VanDerWaalsContact CA-O 3.27Å; R60-C64 WeakPolarHBondContact CA-O 3.44Å; R61-C64 PolarHBondContact N-O 3.25Å; R61-C64 PolarHBondContact O-N 2.93Å; N62-C64 PolarHBondContact O-N 2.91Å
65E84.7Confident88.4Confident83 Ų8353.3 Ų53.339%0.38829%0.288SS..EExtended strand (participates in β ladder)trans-80.6129.1171.5-168174.2137.300110.1S56 G57 R60S56-E65 VanDerWaalsContact CB-OE1 3.31Å; S56-E65 WeakPolarHBondContact CB-OE1 3.37Å; G57-E65 WeakPolarHBondContact CA-OE1 3.41Å; G57-E65 PolarHBondContact N-OE1 3.25Å; R60-E65 IonicContact NH2-OE2 3.92Å
66L88.3Confident88.3Confident23 Ų2352.3 Ų52.312%0.1228%0.283CS..EExtended strand (participates in β ladder)trans-107.6134.8174.7-76.983.9000109.1I59 R61I59-L66 HydrophobicContact CB-CB 4.32Å; I59-L66 HydrophobicContact CG2-CB 4.26Å; I59-L66 PolarHBondContact O-N 3.15Å; R61-L66 HydrophobicContact CB-CD1 3.47Å; R61-L66 VanDerWaalsContact CB-CD1 3.47Å
67A91.3Very high88.1Confident14 Ų1448.6 Ų48.612%0.11626%0.257CS..EExtended strand (participates in β ladder)trans-66.1140.9166.700000109.4N5 E6 M7 R54 I55N5-A67 PolarHBondContact O-N 3.47Å; E6-A67 CarbonylContact C-O 3.57Å; E6-A67 WeakPolarHBondContact CA-O 3.4Å; E6-A67 HydrophobicContact CB-CB 4.33Å; E6-A67 HydrophobicContact CG-CB 4.42Å; M7-A67 PolarHBondContact N-O 3.28Å; R54-A67 HydrophobicContact CB-CB 4.4Å; R54-A67 HydrophobicContact CG-CB 4.34Å; I55-A67 CarbonylContact O-C 3.54Å; I55-A67 WeakPolarHBondContact O-CA 3.4Å
68L93.8Very high87.9Confident0 Ų050.5 Ų50.50%025%0.25CS..EExtended strand (participates in β ladder)trans-103.8136.1170.4173.866.4000109.2M7 I9 I55 V58 I59 V70 L198 L202M7-L68 CarbonylContact O-C 3.59Å; M7-L68 WeakPolarHBondContact O-CA 3.29Å; I9-L68 HydrophobicContact CD1-CD1 4.16Å; I9-L68 HydrophobicContact CG1-CD1 4.04Å; I9-L68 HydrophobicContact CG2-CD1 3.98Å; I55-L68 HydrophobicContact CB-CB 4.26Å; I55-L68 HydrophobicContact CD1-CD2 4.37Å; I55-L68 PolarHBondContact N-O 2.81Å; I55-L68 PolarHBondContact O-N 2.78Å; V58-L68 HydrophobicContact CG1-CD2 4.29Å; I59-L68 HydrophobicContact CD1-CB 4.09Å; I59-L68 HydrophobicContact CD1-CD1 3.94Å; I59-L68 HydrophobicContact CD1-CG 4.42Å; L68-V70 HydrophobicContact CD2-CG2 3.98Å; L68-V70 HydrophobicContact CG-CG2 4.03Å; L68-L198 HydrophobicContact CD2-CB 4.45Å; L68-L198 HydrophobicContact CD2-CD1 4.28Å; L68-L202 HydrophobicContact CD1-CD2 4.3Å; L68-L202 HydrophobicContact CD2-CD1 4.1Å
69R95.3Very high87.4Confident87 Ų8750.4 Ų50.433%0.32825%0.25SS..EExtended strand (participates in β ladder)trans-116.8127166.2-174.2174.1-62.3-164.10.3109.3E6 M7 T8 I9E6-R69 HydrophobicContact CG-CB 4.26Å; E6-R69 IonicContact OE1-CZ 3.59Å; E6-R69 IonicContact OE1-NE 3.59Å; E6-R69 IonicContact OE1-NH2 2.76Å; E6-R69 PolarHBondContact OE1-NH2 2.92Å; E6-R69 IonicContact OE2-CZ 3.95Å; E6-R69 IonicContact OE2-NE 3.44Å; E6-R69 PolarHBondContact OE2-NE 2.99Å; E6-R69 IonicContact OE2-NH2 3Å; E6-R69 PolarHBondContact OE2-NH2 2.82Å; M7-R69 PolarHBondContact O-N 2.84Å; T8-R69 CarbonylContact C-O 3.51Å; T8-R69 VanDerWaalsContact CA-O 3.28Å; T8-R69 WeakPolarHBondContact CA-O 3.33Å; I9-R69 PolarHBondContact N-O 2.95Å
70V96.8Very high87Confident0 Ų055.1 Ų55.10%027%0.271CS..EExtended strand (participates in β ladder)trans-105.1127.2179.2-174.20000108.5I9 L11 C51 S52 I55 L68 V72 L198I9-V70 HydrophobicContact CD1-CG1 4.38Å; I9-V70 HydrophobicContact CD1-CG2 4.1Å; I9-V70 HydrophobicContact CG1-CB 4.35Å; I9-V70 HydrophobicContact CG1-CG1 4.18Å; I9-V70 HydrophobicContact CG1-CG2 4.11Å; L11-V70 HydrophobicContact CD1-CG1 3.77Å; L11-V70 HydrophobicContact CG-CG1 4.49Å; C51-V70 WeakPolarHBondContact CA-O 3.27Å; S52-V70 PolarHBondContact N-O 2.76Å; S52-V70 PolarHBondContact OG-N 3.37Å; I55-V70 HydrophobicContact CD1-CG2 3.82Å; L68-V70 HydrophobicContact CD2-CG2 3.98Å; L68-V70 HydrophobicContact CG-CG2 4.03Å; V70-V72 HydrophobicContact CG1-CG2 3.93Å; V70-L198 HydrophobicContact CG2-CD1 4.31Å; V70-L198 HydrophobicContact CG2-CD2 3.77Å
71R97.8Very high86.8Confident50 Ų5047.8 Ų47.819%0.18925%0.248CC..EExtended strand (participates in β ladder)trans-113.9124.9172.6-64.9177.963.4-153.93.5108T8 I9 N10 L11 L49 G50 H99 F100T8-R71 HydrophobicContact CG2-CG 3.92Å; I9-R71 PolarHBondContact O-N 3.4Å; N10-R71 WeakPolarHBondContact OD1-CD 3.39Å; N10-R71 PolarHBondContact OD1-NH1 2.91Å; N10-R71 VanDerWaalsContact OD1-NH1 3.15Å; L11-R71 PolarHBondContact N-O 2.76Å; L49-R71 HydrophobicContact CD1-CB 4.25Å; G50-R71 WeakPolarHBondContact O-CA 3.37Å; R71-H99 PolarHBondContact NH1-O 2.81Å; R71-H99 PolarHBondContact NH2-O 2.87Å; R71-F100 HydrophobicContact CB-CE1 4.21Å
72V98.3Very high87Confident0 Ų044.6 Ų44.60%025%0.252CS..EExtended strand (participates in β ladder)trans-118.8126.4179.8-176.10000108.8L11 V13 L28 L29 F34 L49 G50 V70L11-V72 HydrophobicContact CB-CG2 4.42Å; L11-V72 HydrophobicContact CD1-CG2 4.47Å; L11-V72 CarbonylContact O-C 3.56Å; L11-V72 WeakPolarHBondContact O-CA 3.39Å; V13-V72 HydrophobicContact CG1-CG1 3.97Å; V13-V72 HydrophobicContact CG2-CG1 4.24Å; L28-V72 HydrophobicContact CB-CG2 3.99Å; L28-V72 HydrophobicContact CD1-CG2 4.24Å; L29-V72 HydrophobicContact CD1-CB 4.29Å; L29-V72 HydrophobicContact CD1-CG2 4.49Å; L29-V72 HydrophobicContact CD2-CB 4.18Å; L29-V72 HydrophobicContact CD2-CG2 3.78Å; L29-V72 HydrophobicContact CG-CB 4.22Å; L29-V72 HydrophobicContact CG-CG2 3.89Å; F34-V72 HydrophobicContact CE2-CB 4.2Å; F34-V72 HydrophobicContact CE2-CG1 4.09Å; F34-V72 HydrophobicContact CZ-CB 4.26Å; F34-V72 HydrophobicContact CZ-CG1 4.38Å; F34-V72 WeakPolarHBondContact CZ-O 3.44Å; L49-V72 WeakPolarHBondContact CA-O 3.28Å; G50-V72 PolarHBondContact N-O 2.84Å; G50-V72 PolarHBondContact O-N 2.86Å; V70-V72 HydrophobicContact CG1-CG2 3.93Å
73L97.4Very high87.2Confident0 Ų037.9 Ų37.90%022%0.216CC..EExtended strand (participates in β ladder)trans-94.6107.2167.7-17074.4000108.6L11 A12 V13 C47 S48 L49 T75 A95 L96 F100L11-L73 PolarHBondContact O-N 3.19Å; A12-L73 HydrophobicContact CB-CB 4.39Å; V13-L73 WeakPolarHBondContact CG2-O 3.11Å; V13-L73 PolarHBondContact N-O 3.02Å; C47-L73 HydrophobicContact CB-CD1 4.06Å; C47-L73 HydrophobicContact CB-CG 4.34Å; S48-L73 WeakPolarHBondContact O-CA 3.49Å; L49-L73 HydrophobicContact CB-CD1 4.28Å; L73-T75 HydrophobicContact CD2-CG2 4.3Å; L73-T75 HydrophobicContact CG-CG2 4.31Å; L73-A95 HydrophobicContact CD1-CB 4.2Å; L73-A95 HydrophobicContact CD2-CB 3.97Å; L73-L96 HydrophobicContact CD2-CD2 3.53Å; L73-L96 HydrophobicContact CD2-CG 3.71Å; L73-F100 HydrophobicContact CB-CE2 3.85Å; L73-F100 HydrophobicContact CB-CZ 3.71Å
74D95.6Very high87.7Confident3 Ų336.3 Ų36.32%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-75.9140.4166.3-169.929.9000109.8V13 S22 F34 C47 S48V13-D74 HydrophobicContact CG2-CB 4.18Å; V13-D74 WeakPolarHBondContact CG2-OD1 3.33Å; S22-D74 WeakPolarHBondContact CB-OD2 3.42Å; S22-D74 PolarHBondContact OG-OD2 3.11Å; F34-D74 HydrophobicContact CD1-CB 3.88Å; F34-D74 HydrophobicContact CD2-CB 4.11Å; F34-D74 HydrophobicContact CE1-CB 3.83Å; F34-D74 HydrophobicContact CE2-CB 4.06Å; F34-D74 HydrophobicContact CG-CB 4.01Å; F34-D74 HydrophobicContact CZ-CB 3.91Å; C47-D74 CarbonylContact C-O 3.54Å; C47-D74 VanDerWaalsContact CA-O 3.23Å; C47-D74 WeakPolarHBondContact CA-O 3.35Å; S48-D74 PolarHBondContact N-O 3.48Å; S48-D74 PolarHBondContact O-N 3.47Å
75T92.9Very high88Confident1 Ų134.6 Ų34.61%0.00618%0.178CC..  trans-128146.4-169.468.30000112.3V13 L14 K21 L73 V92V13-T75 WeakPolarHBondContact O-CG2 3.27Å; V13-T75 PolarHBondContact O-OG1 3.27Å; L14-T75 HydrophobicContact CD2-CG2 3.78Å; K21-T75 WeakPolarHBondContact CE-O 3.37Å; L73-T75 HydrophobicContact CD2-CG2 4.3Å; L73-T75 HydrophobicContact CG-CG2 4.31Å; T75-V92 HydrophobicContact CG2-CG1 4.17Å; T75-V92 HydrophobicContact CG2-CG2 4.02Å
76P89.6Confident88.2Confident2 Ų236 Ų361%0.01319%0.185CC..  trans-66.2156.4170.329.6-34.1000110.6C47 L83 V88 V92C47-P76 WeakPolarHBondContact SG-CD 3.3Å; P76-L83 HydrophobicContact CB-CD1 4.02Å; P76-L83 HydrophobicContact CG-CD1 4.41Å; P76-V88 HydrophobicContact CB-CG2 4.49Å; P76-V88 HydrophobicContact CG-CG1 4.38Å; P76-V88 WeakPolarHBondContact O-CG1 3.29Å; P76-V92 HydrophobicContact CG-CG2 4.33Å
77S83.8Confident88.3Confident3 Ų338.2 Ų38.22%0.02119%0.194CC..  trans-112.7158.1-176.3-1.20000112.8G15 T17 K21 S81G15-S77 WeakPolarHBondContact O-CB 3.39Å; T17-S77 PolarHBondContact N-OG 3.34Å; T17-S77 WeakPolarHBondContact OG1-CB 3.39Å; T17-S77 PolarHBondContact OG1-OG 3.45Å; K21-S77 PolarHBondContact NZ-OG 2.89Å; S77-S81 VanDerWaalsContact O-CB 3.31Å; S77-S81 WeakPolarHBondContact O-CB 3.43Å; S77-S81 PolarHBondContact O-OG 3.43Å
78Y80.3Confident88.3Confident87 Ų8737.7 Ų37.734%0.34119%0.19SC..SBendtrans-134.7142.9163.8178-90.6000108.1K85Y78-K85 HydrophobicContact CD1-CB 4.15Å; Y78-K85 HydrophobicContact CD1-CG 4.36Å; Y78-K85 HydrophobicContact CD2-CB 4.25Å; Y78-K85 HydrophobicContact CE1-CB 4.16Å; Y78-K85 HydrophobicContact CE2-CB 4.27Å; Y78-K85 HydrophobicContact CG-CB 4.19Å
79P70.8Confident88.1Confident28 Ų2838.5 Ų38.518%0.18219%0.194CC..SBendcis-79-170.8-6.929.7-30.7000113.2T17T17-P79 PolarHBondContact OG1-O 3.36Å
80H74Confident87.9Confident119 Ų11940.3 Ų40.355%0.55120%0.2SC*.SBendtrans71.528177.2-40.3-73.4000115.9S42S42-H80 WeakPolarHBondContact CB-O 3.35Å; S42-H80 PolarHBondContact N-O 3.18Å
81S76.1Confident87.7Confident28 Ų2844.6 Ų44.620%0.19622%0.217CC..SBendtrans-118.2168.9161.869.50000109.6S77 L83S77-S81 VanDerWaalsContact O-CB 3.31Å; S77-S81 WeakPolarHBondContact O-CB 3.43Å; S77-S81 PolarHBondContact O-OG 3.43Å; S81-L83 PolarHBondContact O-N 2.66Å; S81-L83 PolarHBondContact OG-N 3.04Å
82S81.4Confident87.4Confident106 Ų10642.2 Ų42.274%0.74121%0.208SC*.SBendtrans-71.61.4171.855.30000113.4
83L84.6Confident87.2Confident14 Ų1445.9 Ų45.97%0.07322%0.221CC..SBendtrans-102.4141.7-175.3-57176.4000111.4T45 P76 S81 Q87 V88 R91T45-L83 WeakPolarHBondContact O-CD1 3.22Å; P76-L83 HydrophobicContact CB-CD1 4.02Å; P76-L83 HydrophobicContact CG-CD1 4.41Å; S81-L83 PolarHBondContact O-N 2.66Å; S81-L83 PolarHBondContact OG-N 3.04Å; L83-Q87 VanDerWaalsContact CA-OE1 3.31Å; L83-Q87 HydrophobicContact CB-CB 4.21Å; L83-Q87 HydrophobicContact CD2-CB 4.48Å; L83-V88 HydrophobicContact CB-CG2 3.77Å; L83-V88 HydrophobicContact CD1-CG2 4.07Å; L83-R91 VanDerWaalsContact CD2-CZ 3.48Å
84S88.5Confident86.9Confident43 Ų4348.6 Ų48.630%0.30124%0.243SC..  trans-68.8161.3167.9900000111.2E86 Q87 V88S84-E86 VanDerWaalsContact C-N 3.27Å; S84-E86 WeakPolarHBondContact CB-OE2 3.11Å; S84-E86 PolarHBondContact O-N 3.08Å; S84-E86 PolarHBondContact OG-N 2.82Å; S84-E86 PolarHBondContact OG-OE2 3.05Å; S84-Q87 PolarHBondContact O-N 3.46Å; S84-Q87 VanDerWaalsContact O-N 3.16Å; S84-Q87 PolarHBondContact OG-N 3.37Å; S84-V88 PolarHBondContact O-N 2.66Å
85K86.6Confident86.9Confident36 Ų3648.8 Ų48.816%0.15725%0.246CC..Hα-helixtrans-51.1-50.2173.9-175.8-177.2174.2-170.60110Y78 Q87 V88 Q89 Q127 E131Y78-K85 HydrophobicContact CD1-CB 4.15Å; Y78-K85 HydrophobicContact CD1-CG 4.36Å; Y78-K85 HydrophobicContact CD2-CB 4.25Å; Y78-K85 HydrophobicContact CE1-CB 4.16Å; Y78-K85 HydrophobicContact CE2-CB 4.27Å; Y78-K85 HydrophobicContact CG-CB 4.19Å; K85-Q87 VanDerWaalsContact C-N 3.34Å; K85-Q87 PolarHBondContact O-N 2.87Å; K85-V88 WeakPolarHBondContact O-CB 3.26Å; K85-V88 PolarHBondContact O-N 2.84Å; K85-Q89 HydrophobicContact CG-CG 4.5Å; K85-Q89 WeakPolarHBondContact O-CG 3.3Å; K85-Q89 PolarHBondContact O-N 3.04Å; K85-Q127 VanDerWaalsContact NZ-CD 3.29Å; K85-E131 IonicContact NZ-OE1 2.69Å
86E88.6Confident86.9Confident113 Ų11348.8 Ų48.853%0.52825%0.246SC..Hα-helixtrans-62.6-38.5-178-56.167.6-141.100112.3S84 Q89 R90S84-E86 VanDerWaalsContact C-N 3.27Å; S84-E86 WeakPolarHBondContact CB-OE2 3.11Å; S84-E86 PolarHBondContact O-N 3.08Å; S84-E86 PolarHBondContact OG-N 2.82Å; S84-E86 PolarHBondContact OG-OE2 3.05Å; E86-Q89 PolarHBondContact O-N 3.02Å; E86-R90 WeakPolarHBondContact O-CB 3.43Å; E86-R90 PolarHBondContact O-N 2.96Å
87Q91Very high87Confident68 Ų6849.3 Ų49.332%0.31825%0.25SC..Hα-helixtrans-65.1-43.7175.7-72175.7-27.100111.4L83 S84 K85 R90 R91L83-Q87 VanDerWaalsContact CA-OE1 3.31Å; L83-Q87 HydrophobicContact CB-CB 4.21Å; L83-Q87 HydrophobicContact CD2-CB 4.48Å; S84-Q87 PolarHBondContact O-N 3.46Å; S84-Q87 VanDerWaalsContact O-N 3.16Å; S84-Q87 PolarHBondContact OG-N 3.37Å; K85-Q87 VanDerWaalsContact C-N 3.34Å; K85-Q87 PolarHBondContact O-N 2.87Å; Q87-R90 PolarHBondContact O-N 3.31Å; Q87-R91 WeakPolarHBondContact O-CB 3.26Å; Q87-R91 VanDerWaalsContact O-CG 3.28Å; Q87-R91 WeakPolarHBondContact O-CG 3.44Å; Q87-R91 PolarHBondContact O-N 3.06Å
88V90.4Very high87.5Confident4 Ų454.8 Ų54.82%0.02428%0.275CS..Hα-helixtrans-59-49.4173.4170.40000110P76 L83 S84 K85 R90 R91 V92 F128P76-V88 HydrophobicContact CB-CG2 4.49Å; P76-V88 HydrophobicContact CG-CG1 4.38Å; P76-V88 WeakPolarHBondContact O-CG1 3.29Å; L83-V88 HydrophobicContact CB-CG2 3.77Å; L83-V88 HydrophobicContact CD1-CG2 4.07Å; S84-V88 PolarHBondContact O-N 2.66Å; K85-V88 WeakPolarHBondContact O-CB 3.26Å; K85-V88 PolarHBondContact O-N 2.84Å; V88-R90 PolarHBondContact O-N 3.34Å; V88-R91 PolarHBondContact O-N 2.87Å; V88-V92 HydrophobicContact CG1-CG2 4.29Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.33Å; V88-V92 PolarHBondContact O-N 2.74Å; V88-F128 HydrophobicContact CG1-CE1 4.47Å; V88-F128 HydrophobicContact CG1-CZ 4.41Å
89Q89.8Confident88.1Confident17 Ų1753.2 Ų53.28%0.07927%0.271CS..Hα-helixtrans-60.2-44.6-178.9-53.4-160.5-20.800113K85 E86 V92 R93 F128 E131K85-Q89 HydrophobicContact CG-CG 4.5Å; K85-Q89 WeakPolarHBondContact O-CG 3.3Å; K85-Q89 PolarHBondContact O-N 3.04Å; E86-Q89 PolarHBondContact O-N 3.02Å; Q89-V92 PolarHBondContact O-N 3.17Å; Q89-R93 WeakPolarHBondContact O-CB 3.16Å; Q89-R93 WeakPolarHBondContact O-CG 3.48Å; Q89-R93 PolarHBondContact O-N 3.36Å; Q89-R93 VanDerWaalsContact OE1-NH1 3.16Å; Q89-R93 VanDerWaalsContact OE1-NH2 3.14Å; Q89-F128 HydrophobicContact CB-CD2 4.21Å; Q89-F128 HydrophobicContact CB-CE2 3.76Å; Q89-F128 HydrophobicContact CG-CD2 3.5Å; Q89-F128 VanDerWaalsContact CG-CD2 3.5Å; Q89-F128 HydrophobicContact CG-CE2 3.56Å; Q89-E131 PolarHBondContact NE2-OE2 3.02Å
90R90.8Very high89.2Confident125 Ų12552.2 Ų52.247%0.47226%0.264SS..Hα-helixtrans-63-45.8179.9-164.5-170.3-31.6112.19.8111.2E86 Q87 V88 R93 A94E86-R90 WeakPolarHBondContact O-CB 3.43Å; E86-R90 PolarHBondContact O-N 2.96Å; Q87-R90 PolarHBondContact O-N 3.31Å; V88-R90 PolarHBondContact O-N 3.34Å; R90-R93 PolarHBondContact O-N 3.42Å; R90-A94 VanDerWaalsContact O-CB 3.28Å; R90-A94 WeakPolarHBondContact O-CB 3.38Å; R90-A94 PolarHBondContact O-N 3.35Å
91R92.7Very high89.9Confident90 Ų9056.3 Ų56.334%0.3427%0.274SS..Hα-helixtrans-61.6-45.5178.5-73.8178.5-174.4-159.70.5111.3T45 L83 Q87 V88 A94 A95T45-R91 PolarHBondContact O-NH1 3.12Å; L83-R91 VanDerWaalsContact CD2-CZ 3.48Å; Q87-R91 WeakPolarHBondContact O-CB 3.26Å; Q87-R91 VanDerWaalsContact O-CG 3.28Å; Q87-R91 WeakPolarHBondContact O-CG 3.44Å; Q87-R91 PolarHBondContact O-N 3.06Å; V88-R91 PolarHBondContact O-N 2.87Å; R91-A94 PolarHBondContact O-N 2.98Å; R91-A95 VanDerWaalsContact O-CB 3.3Å; R91-A95 WeakPolarHBondContact O-CB 3.42Å; R91-A95 PolarHBondContact O-N 3Å
92V93.3Very high90.4Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-66.9-45.5179.6175.20000111.4L14 T75 P76 V88 Q89 A94 A95 L96 F128 L132L14-V92 HydrophobicContact CD2-CG1 4.18Å; T75-V92 HydrophobicContact CG2-CG1 4.17Å; T75-V92 HydrophobicContact CG2-CG2 4.02Å; P76-V92 HydrophobicContact CG-CG2 4.33Å; V88-V92 HydrophobicContact CG1-CG2 4.29Å; V88-V92 VanDerWaalsContact O-CG2 3.31Å; V88-V92 WeakPolarHBondContact O-CG2 3.33Å; V88-V92 PolarHBondContact O-N 2.74Å; Q89-V92 PolarHBondContact O-N 3.17Å; V92-A94 PolarHBondContact O-N 3.44Å; V92-A95 PolarHBondContact O-N 3.07Å; V92-L96 HydrophobicContact CG1-CD1 3.66Å; V92-L96 HydrophobicContact CG1-CG 4.31Å; V92-L96 WeakPolarHBondContact O-CB 3.4Å; V92-L96 WeakPolarHBondContact O-CD1 3.43Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.43Å; V92-L96 PolarHBondContact O-N 3.37Å; V92-F128 HydrophobicContact CB-CZ 3.85Å; V92-F128 HydrophobicContact CG1-CZ 3.89Å; V92-F128 HydrophobicContact CG2-CZ 3.99Å; V92-L132 HydrophobicContact CG1-CD1 4.32Å; V92-L132 HydrophobicContact CG1-CD2 3.74Å
93R92.3Very high91Very high77 Ų7756.8 Ų56.829%0.29126%0.262SS..Hα-helixtrans-57.3-48.3174.5-78.7-175-167.11093.9111.8Q89 R90 L96 A97 E131 L132Q89-R93 WeakPolarHBondContact O-CB 3.16Å; Q89-R93 WeakPolarHBondContact O-CG 3.48Å; Q89-R93 PolarHBondContact O-N 3.36Å; Q89-R93 VanDerWaalsContact OE1-NH1 3.16Å; Q89-R93 VanDerWaalsContact OE1-NH2 3.14Å; R90-R93 PolarHBondContact O-N 3.42Å; R93-L96 PolarHBondContact O-N 2.91Å; R93-A97 WeakPolarHBondContact O-CB 3.44Å; R93-A97 PolarHBondContact O-N 3.37Å; R93-E131 PolarHBondContact NH2-O 3.29Å; R93-E131 VanDerWaalsContact NH2-O 3.16Å; R93-L132 HydrophobicContact CB-CD1 4.37Å; R93-L132 HydrophobicContact CG-CD1 3.32Å
94A92.4Very high91.6Very high56 Ų5656.1 Ų56.146%0.46326%0.258SS..Hα-helixtrans-61.5-46.1179.800000111.7R90 R91 V92 A97 Q98R90-A94 VanDerWaalsContact O-CB 3.28Å; R90-A94 WeakPolarHBondContact O-CB 3.38Å; R90-A94 PolarHBondContact O-N 3.35Å; R91-A94 PolarHBondContact O-N 2.98Å; V92-A94 PolarHBondContact O-N 3.44Å; A94-A97 PolarHBondContact O-N 3.08Å; A94-Q98 VanDerWaalsContact O-CB 3.25Å; A94-Q98 WeakPolarHBondContact O-CB 3.49Å; A94-Q98 PolarHBondContact O-N 2.82Å
95A94.4Very high92Very high8 Ų854.9 Ų54.97%0.06625%0.248CC..Hα-helixtrans-64.1-42179.200000112.2C47 L73 R91 V92 Q98 H99C47-A95 HydrophobicContact CB-CB 3.45Å; C47-A95 VanDerWaalsContact CB-CB 3.45Å; L73-A95 HydrophobicContact CD1-CB 4.2Å; L73-A95 HydrophobicContact CD2-CB 3.97Å; R91-A95 VanDerWaalsContact O-CB 3.3Å; R91-A95 WeakPolarHBondContact O-CB 3.42Å; R91-A95 PolarHBondContact O-N 3Å; V92-A95 PolarHBondContact O-N 3.07Å; A95-Q98 PolarHBondContact O-N 3.38Å; A95-H99 WeakPolarHBondContact O-CB 3.36Å; A95-H99 PolarHBondContact O-CD2 2.76Å; A95-H99 PolarHBondContact O-N 2.93Å
96L93.9Very high92.5Very high1 Ų153.3 Ų53.31%0.00524%0.241CC..Hα-helixtrans-63.2-45.3175.8-71.2164.8000111.6A12 L73 V92 R93 Q98 F100 L104 L132 L215A12-L96 HydrophobicContact CB-CD2 3.96Å; L73-L96 HydrophobicContact CD2-CD2 3.53Å; L73-L96 HydrophobicContact CD2-CG 3.71Å; V92-L96 HydrophobicContact CG1-CD1 3.66Å; V92-L96 HydrophobicContact CG1-CG 4.31Å; V92-L96 WeakPolarHBondContact O-CB 3.4Å; V92-L96 WeakPolarHBondContact O-CD1 3.43Å; V92-L96 VanDerWaalsContact O-CG 3.25Å; V92-L96 WeakPolarHBondContact O-CG 3.43Å; V92-L96 PolarHBondContact O-N 3.37Å; R93-L96 PolarHBondContact O-N 2.91Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.26Å; L96-F100 HydrophobicContact CD2-CD2 3.44Å; L96-F100 VanDerWaalsContact CD2-CD2 3.44Å; L96-F100 HydrophobicContact CD2-CE2 3.72Å; L96-F100 CarbonylContact O-C 3.56Å; L96-F100 WeakPolarHBondContact O-CA 3.29Å; L96-F100 WeakPolarHBondContact O-CB 3.49Å; L96-F100 PolarHBondContact O-N 2.94Å; L96-L104 HydrophobicContact CD2-CD1 4.25Å; L96-L132 HydrophobicContact CD1-CD1 4Å; L96-L132 HydrophobicContact CD1-CD2 3.84Å; L96-L132 HydrophobicContact CD1-CG 4.21Å; L96-L215 HydrophobicContact CB-CD1 3.35Å; L96-L215 HydrophobicContact CD1-CD1 3.49Å; L96-L215 VanDerWaalsContact CD1-CD1 3.49Å; L96-L215 HydrophobicContact CD2-CD1 4.24Å; L96-L215 HydrophobicContact CG-CD1 3.87Å
97A91.8Very high93Very high12 Ų1247.9 Ų47.910%0.09922%0.216CC..Hα-helixtrans-64.6-36.817700000112.3R93 A94R93-A97 WeakPolarHBondContact O-CB 3.44Å; R93-A97 PolarHBondContact O-N 3.37Å; A94-A97 PolarHBondContact O-N 3.08Å
98Q92.9Very high93.3Very high119 Ų11944.8 Ų44.856%0.55620%0.201SC*.Hα-helixtrans-70.1-47.6178.6180178-8.200112.4A94 A95 L96 R101A94-Q98 VanDerWaalsContact O-CB 3.25Å; A94-Q98 WeakPolarHBondContact O-CB 3.49Å; A94-Q98 PolarHBondContact O-N 2.82Å; A95-Q98 PolarHBondContact O-N 3.38Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 3.26Å; Q98-R101 PolarHBondContact O-NE 2.86Å
99H94.1Very high93.6Very high54 Ų5444.7 Ų44.725%0.2520%0.2CC..Hα-helixtrans-94.6-33.4-169.7-65.2-59000113.6L49 R71 A95L49-H99 HydrophobicContact CD1-CB 4.43Å; L49-H99 HydrophobicContact CD2-CB 4.16Å; R71-H99 PolarHBondContact NH1-O 2.81Å; R71-H99 PolarHBondContact NH2-O 2.87Å; A95-H99 WeakPolarHBondContact O-CB 3.36Å; A95-H99 PolarHBondContact O-CD2 2.76Å; A95-H99 PolarHBondContact O-N 2.93Å
100F94.1Very high93.8Very high7 Ų743.9 Ų43.93%0.03120%0.197CC..  trans-109.453.6-177.4-59.5-20.3000111.1N10 L11 A12 L49 R71 L73 L96 E102 G103 L104N10-F100 HydrophobicContact CB-CD1 3.64Å; N10-F100 HydrophobicContact CB-CD2 3.97Å; N10-F100 HydrophobicContact CB-CE1 3.71Å; N10-F100 HydrophobicContact CB-CE2 4.03Å; N10-F100 HydrophobicContact CB-CG 3.8Å; N10-F100 HydrophobicContact CB-CZ 3.91Å; L11-F100 WeakPolarHBondContact O-CE2 3.34Å; L11-F100 VanDerWaalsContact O-CZ 3.29Å; L11-F100 WeakPolarHBondContact O-CZ 3.34Å; A12-F100 HydrophobicContact CB-CE2 4.43Å; L49-F100 HydrophobicContact CD1-CE1 3.63Å; L49-F100 HydrophobicContact CD1-CZ 4.07Å; R71-F100 HydrophobicContact CB-CE1 4.21Å; L73-F100 HydrophobicContact CB-CE2 3.85Å; L73-F100 HydrophobicContact CB-CZ 3.71Å; L96-F100 HydrophobicContact CD2-CD2 3.44Å; L96-F100 VanDerWaalsContact CD2-CD2 3.44Å; L96-F100 HydrophobicContact CD2-CE2 3.72Å; L96-F100 CarbonylContact O-C 3.56Å; L96-F100 WeakPolarHBondContact O-CA 3.29Å; L96-F100 WeakPolarHBondContact O-CB 3.49Å; L96-F100 PolarHBondContact O-N 2.94Å; F100-E102 PolarHBondContact O-N 3.31Å; F100-G103 VanDerWaalsContact O-CA 3.29Å; F100-G103 WeakPolarHBondContact O-CA 3.5Å; F100-G103 PolarHBondContact O-N 3.35Å; F100-L104 HydrophobicContact CD2-CB 4.41Å; F100-L104 HydrophobicContact CD2-CD1 3.66Å; F100-L104 HydrophobicContact CE2-CD1 3.63Å
101R87.8Confident94Very high204 Ų20438.4 Ų38.477%0.7718%0.177SC*.THydrogen-bonded Turntrans-56.3-35.9177.6-63.9-178.2-176.7-174.5-2.8113.3Q98Q98-R101 PolarHBondContact O-NE 2.86Å
102E88Confident94Very high144 Ų14436.9 Ų36.967%0.67317%0.171SC*.THydrogen-bonded Turntrans-77.1-13.5175.6-61.8-176.7164.600112.5F100 L212F100-E102 PolarHBondContact O-N 3.31Å; E102-L212 WeakPolarHBondContact O-CD1 3.34Å
103G93.3Very high94.1Very high0 Ų037.1 Ų37.10%017%0.173CC..  trans114162.4175.700000113.9N10 F100 L213N10-G103 PolarHBondContact ND2-O 3.23Å; F100-G103 VanDerWaalsContact O-CA 3.29Å; F100-G103 WeakPolarHBondContact O-CA 3.5Å; F100-G103 PolarHBondContact O-N 3.35Å; G103-L213 VanDerWaalsContact CA-O 3.31Å; G103-L213 WeakPolarHBondContact CA-O 3.38Å
104L96.7Very high94Very high1 Ų136.2 Ų36.21%0.00517%0.174CC..BIsolated β-bridgetrans-86.2132.5176.2179.571.5000109.4N10 A12 L96 F100 A107 L133 L213N10-L104 WeakPolarHBondContact O-CD1 3.29Å; A12-L104 HydrophobicContact CB-CD1 3.81Å; L96-L104 HydrophobicContact CD2-CD1 4.25Å; F100-L104 HydrophobicContact CD2-CB 4.41Å; F100-L104 HydrophobicContact CD2-CD1 3.66Å; F100-L104 HydrophobicContact CE2-CD1 3.63Å; L104-A107 HydrophobicContact CD2-CB 4.2Å; L104-L133 HydrophobicContact CD2-CD2 3.82Å; L104-L213 HydrophobicContact CB-CB 4.37Å; L104-L213 PolarHBondContact N-O 3.12Å; L104-L213 PolarHBondContact O-N 3.28Å
105H97.3Very high93.9Very high17 Ų1738.2 Ų38.28%0.07918%0.176CC..SBendtrans-85.5-43.2174.5-6569.9000111.1T8 N10 I205 L212T8-H105 PolarHBondContact O-CE1 3.5Å; T8-H105 VanDerWaalsContact O-CE1 3.25Å; T8-H105 PolarHBondContact O-NE2 2.86Å; N10-H105 PolarHBondContact N-ND1 3Å; N10-H105 WeakPolarHBondContact O-CB 3.49Å; N10-H105 PolarHBondContact O-N 2.74Å; H105-I205 HydrophobicContact CB-CD1 3.86Å; H105-I205 HydrophobicContact CB-CG1 4.16Å; H105-L212 HydrophobicContact CB-CD2 4.35Å; H105-L212 VanDerWaalsContact CD2-CD2 3.41Å; H105-L212 WeakPolarHBondContact CD2-CD2 3.39Å; H105-L212 WeakPolarHBondContact CE1-CD2 3.38Å; H105-L212 VanDerWaalsContact CG-CD2 3.45Å; H105-L212 WeakPolarHBondContact ND1-CD2 3.4Å; H105-L212 WeakPolarHBondContact NE2-CD2 3.5Å
106L97.8Very high93.4Very high2 Ų242.7 Ų42.71%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-157.7132.3-176.8-162.269.6000111.6N10 L11 A12 L108 F140 A142 L201 F204 I205N10-L106 PolarHBondContact O-N 2.94Å; L11-L106 VanDerWaalsContact CA-O 3.29Å; L11-L106 WeakPolarHBondContact CA-O 3.33Å; L11-L106 HydrophobicContact CD2-CB 3.79Å; A12-L106 PolarHBondContact N-O 2.92Å; A12-L106 VanDerWaalsContact N-O 3.12Å; L106-L108 HydrophobicContact CD2-CD2 3.71Å; L106-L108 HydrophobicContact CG-CD2 4.11Å; L106-F140 CarbonylContact C-O 3.49Å; L106-F140 WeakPolarHBondContact CA-O 3.29Å; L106-A142 HydrophobicContact CD1-CB 4.25Å; L106-A142 HydrophobicContact CD2-CB 3.83Å; L106-A142 HydrophobicContact CG-CB 4.21Å; L106-L201 HydrophobicContact CD2-CD2 3.75Å; L106-F204 HydrophobicContact CD2-CB 4.4Å; L106-F204 HydrophobicContact CD2-CD2 4.3Å; L106-I205 HydrophobicContact CB-CG1 4.49Å
107A97.6Very high92.9Very high0 Ų043.4 Ų43.40%021%0.209CC..EExtended strand (participates in β ladder)trans-88.3134.6162.800000109.6A12 L14 L104 L133 F140 T141 A142A12-A107 CarbonylContact O-C 3.5Å; A12-A107 WeakPolarHBondContact O-CA 3.33Å; L14-A107 HydrophobicContact CD1-CB 3.87Å; L104-A107 HydrophobicContact CD2-CB 4.2Å; A107-L133 HydrophobicContact CB-CD1 3.8Å; A107-F140 PolarHBondContact N-O 3.31Å; A107-T141 CarbonylContact O-C 3.53Å; A107-T141 VanDerWaalsContact O-CA 3.3Å; A107-T141 WeakPolarHBondContact O-CA 3.42Å; A107-A142 PolarHBondContact O-N 3.37Å
108L98Very high92Very high2 Ų244.8 Ų44.81%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-105.9107.2176.7-58-179.4000108.2L11 A12 V13 L14 L28 L106 V110 A142 L144 L201L11-L108 HydrophobicContact CD1-CD1 4.46Å; A12-L108 PolarHBondContact O-N 3.39Å; V13-L108 HydrophobicContact CG1-CB 4.22Å; V13-L108 HydrophobicContact CG1-CD1 4.18Å; L14-L108 PolarHBondContact N-O 2.86Å; L28-L108 HydrophobicContact CD1-CD1 3.46Å; L28-L108 VanDerWaalsContact CD1-CD1 3.46Å; L106-L108 HydrophobicContact CD2-CD2 3.71Å; L106-L108 HydrophobicContact CG-CD2 4.11Å; L108-V110 PolarHBondContact O-N 3.46Å; L108-A142 CarbonylContact C-O 3.54Å; L108-A142 WeakPolarHBondContact CA-O 3.5Å; L108-A142 HydrophobicContact CD2-CB 4.02Å; L108-L144 HydrophobicContact CD1-CD2 4.43Å; L108-L201 HydrophobicContact CD2-CD2 3.73Å
109L96.4Very high90.9Very high2 Ų242.3 Ų42.31%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-77.7104.2171.2173.254.2000108.8L14 L111 T125 I126 I129 T141 A142 V143 L144 L172L14-L109 CarbonylContact O-C 3.6Å; L14-L109 WeakPolarHBondContact O-CA 3.44Å; L109-L111 HydrophobicContact CD1-CD2 4.25Å; L109-L111 HydrophobicContact CG-CD1 4.48Å; L109-L111 HydrophobicContact CG-CD2 4.35Å; L109-L111 HydrophobicContact CG-CG 4.17Å; L109-T125 HydrophobicContact CD1-CG2 3.58Å; L109-I126 HydrophobicContact CD2-CG1 4.18Å; L109-I129 HydrophobicContact CB-CD1 3.95Å; L109-I129 HydrophobicContact CD1-CD1 3.84Å; L109-I129 HydrophobicContact CD2-CD1 4.23Å; L109-I129 HydrophobicContact CG-CD1 4.21Å; L109-T141 HydrophobicContact CB-CG2 4.12Å; L109-A142 PolarHBondContact N-O 2.7Å; L109-V143 HydrophobicContact CB-CG2 4.47Å; L109-V143 HydrophobicContact CD2-CG2 4.42Å; L109-V143 CarbonylContact O-C 3.54Å; L109-V143 WeakPolarHBondContact O-CA 3.25Å; L109-L144 PolarHBondContact O-N 3.43Å; L109-L172 HydrophobicContact CD2-CD1 4.25Å; L109-L172 HydrophobicContact CD2-CD2 3.86Å
110V95.3Very high89.5Confident0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-84.8119.2-177.3-169.10000109.8V13 L14 T19 K21 L108 L144 T146V13-V110 HydrophobicContact CB-CG2 4.14Å; V13-V110 HydrophobicContact CG1-CG2 4.45Å; L14-V110 PolarHBondContact O-N 3.37Å; T19-V110 VanDerWaalsContact O-CG1 3.28Å; T19-V110 WeakPolarHBondContact O-CG1 3.48Å; K21-V110 HydrophobicContact CG-CB 3.95Å; K21-V110 HydrophobicContact CG-CG1 4.41Å; K21-V110 HydrophobicContact CG-CG2 3.91Å; L108-V110 PolarHBondContact O-N 3.46Å; V110-L144 WeakPolarHBondContact CA-O 3.25Å; V110-L144 HydrophobicContact CG2-CB 4.47Å; V110-L144 HydrophobicContact CG2-CD2 4.33Å; V110-T146 HydrophobicContact CG1-CG2 3.47Å; V110-T146 VanDerWaalsContact CG1-CG2 3.47Å
111L94.3Very high87.9Confident11 Ų1148.7 Ų48.76%0.05825%0.245CC..EExtended strand (participates in β ladder)trans-126156.7177.7-62.3176.1000108.7L109 L117 V143 L144 L145 T146 L169 L172L109-L111 HydrophobicContact CD1-CD2 4.25Å; L109-L111 HydrophobicContact CG-CD1 4.48Å; L109-L111 HydrophobicContact CG-CD2 4.35Å; L109-L111 HydrophobicContact CG-CG 4.17Å; L111-L117 HydrophobicContact CD1-CD1 3.59Å; L111-L117 HydrophobicContact CD2-CD1 3.63Å; L111-L117 HydrophobicContact CG-CD1 4.18Å; L111-V143 HydrophobicContact CD1-CG1 3.81Å; L111-V143 HydrophobicContact CG-CG1 4.4Å; L111-L144 PolarHBondContact N-O 2.99Å; L111-L144 VanDerWaalsContact O-O 3.09Å; L111-L145 HydrophobicContact CB-CD2 4Å; L111-L145 CarbonylContact O-C 3.54Å; L111-L145 WeakPolarHBondContact O-CA 3.28Å; L111-T146 PolarHBondContact O-N 3.18Å; L111-T146 PolarHBondContact O-OG1 2.72Å; L111-L169 HydrophobicContact CD1-CD1 4.23Å; L111-L172 HydrophobicContact CD1-CD2 3.82Å
112R93.4Very high86.7Confident58 Ų5839.6 Ų39.622%0.21921%0.212CC..EExtended strand (participates in β ladder)trans-92.9132.6173.7-67.2179.560.3111.72.3109.5Q18 D114 L115 H147Q18-R112 PolarHBondContact O-NH1 2.99Å; R112-D114 VanDerWaalsContact C-N 3.3Å; R112-D114 WeakPolarHBondContact CB-OD1 3.42Å; R112-D114 IonicContact CZ-OD1 2.83Å; R112-D114 IonicContact CZ-OD2 3.93Å; R112-D114 IonicContact NE-OD1 2.84Å; R112-D114 PolarHBondContact NE-OD1 3.04Å; R112-D114 IonicContact NE-OD2 3.06Å; R112-D114 VanDerWaalsContact NH2-CG 3.28Å; R112-D114 IonicContact NH2-OD1 3.83Å; R112-D114 PolarHBondContact NH2-OD1 3.39Å; R112-D114 IonicContact NH2-OD2 3.33Å; R112-D114 PolarHBondContact NH2-OD2 2.9Å; R112-L115 HydrophobicContact CB-CB 4.24Å; R112-L115 HydrophobicContact CB-CG 4.36Å; R112-H147 VanDerWaalsContact CZ-CE1 3.47Å; R112-H147 VanDerWaalsContact CZ-NE2 3.34Å; R112-H147 PolarHBondContact NH1-CE1 3.16Å; R112-H147 PolarHBondContact NH1-NE2 3.36Å; R112-H147 PolarHBondContact NH2-CD2 3.42Å; R112-H147 VanDerWaalsContact NH2-CD2 3.28Å; R112-H147 PolarHBondContact NH2-NE2 2.87Å
113A93.6Very high85.9Confident5 Ų537.3 Ų37.34%0.04120%0.204CC..THydrogen-bonded Turntrans-72.1-28.5175.200000111.7L115 L145 T146 T151 Y161 F182A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 3.2Å; A113-L145 HydrophobicContact CB-CB 4.24Å; A113-T146 WeakPolarHBondContact CB-O 3.28Å; A113-T146 PolarHBondContact N-O 3.33Å; A113-T151 HydrophobicContact CB-CG2 3.61Å; A113-Y161 HydrophobicContact CB-CE2 4.25Å; A113-Y161 WeakPolarHBondContact O-CE2 3.39Å; A113-Y161 PolarHBondContact O-OH 2.9Å; A113-Y161 VanDerWaalsContact O-OH 3.1Å; A113-F182 HydrophobicContact CB-CD1 4.4Å; A113-F182 HydrophobicContact CB-CE1 4.32Å
114D91.6Very high85.3Confident58 Ų5841 Ų4131%0.3122%0.221SC..THydrogen-bonded Turntrans-85.31.1-178.270.2-21.2000114.5R112 H147 R150R112-D114 VanDerWaalsContact C-N 3.3Å; R112-D114 WeakPolarHBondContact CB-OD1 3.42Å; R112-D114 IonicContact CZ-OD1 2.83Å; R112-D114 IonicContact CZ-OD2 3.93Å; R112-D114 IonicContact NE-OD1 2.84Å; R112-D114 PolarHBondContact NE-OD1 3.04Å; R112-D114 IonicContact NE-OD2 3.06Å; R112-D114 VanDerWaalsContact NH2-CG 3.28Å; R112-D114 IonicContact NH2-OD1 3.83Å; R112-D114 PolarHBondContact NH2-OD1 3.39Å; R112-D114 IonicContact NH2-OD2 3.33Å; R112-D114 PolarHBondContact NH2-OD2 2.9Å; D114-H147 HydrophobicContact CB-CB 4.49Å; D114-R150 HydrophobicContact CB-CB 3.8Å; D114-R150 HydrophobicContact CB-CG 4.24Å
115L89.6Confident84.7Confident98 Ų9841.3 Ų41.351%0.51322%0.223SC..SBendtrans-123.6142.4175.8-65.3-176.4000111.2R112 A113R112-L115 HydrophobicContact CB-CB 4.24Å; R112-L115 HydrophobicContact CB-CG 4.36Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 3.2Å
116P83.3Confident84.3Confident101 Ų10141.7 Ų41.766%0.65623%0.225SC*.  trans-65142176.827.7-33.9000111.1C118P116-C118 PolarHBondContact O-N 3.14Å
117L83.3Confident83.9Confident17 Ų1745 Ų459%0.08924%0.241CC..  trans-76.291170-165.779.3000109.8L111 N122 T168 L169 L172L111-L117 HydrophobicContact CD1-CD1 3.59Å; L111-L117 HydrophobicContact CD2-CD1 3.63Å; L111-L117 HydrophobicContact CG-CD1 4.18Å; L117-N122 HydrophobicContact CD1-CB 4.08Å; L117-N122 WeakPolarHBondContact CD1-ND2 3.48Å; L117-N122 HydrophobicContact CG-CB 4.38Å; L117-N122 WeakPolarHBondContact CG-ND2 3.43Å; L117-T168 HydrophobicContact CD2-CG2 3.9Å; L117-T168 HydrophobicContact CG-CG2 4.34Å; L117-L169 HydrophobicContact CB-CB 4.16Å; L117-L169 HydrophobicContact CD2-CB 3.99Å; L117-L169 HydrophobicContact CD2-CD1 4.06Å; L117-L172 HydrophobicContact CD2-CB 4.49Å; L117-L172 HydrophobicContact CD2-CD2 3.94Å
118C73.8Confident83.5Confident41 Ų4145.9 Ų45.928%0.27724%0.244SC..  trans-73.7131176.1-64.80000110.8P116 D120 E121 N122P116-C118 PolarHBondContact O-N 3.14Å; C118-D120 WeakPolarHBondContact CB-OD1 3.21Å; C118-E121 HydrophobicContact CB-CB 3.87Å; C118-E121 HydrophobicContact CB-CG 4.11Å; C118-N122 PolarHBondContact N-ND2 2.89Å; C118-N122 WeakPolarHBondContact O-CB 3.29Å; C118-N122 PolarHBondContact O-N 3.35Å; C118-N122 VanDerWaalsContact O-N 3.17Å; C118-N122 PolarHBondContact O-ND2 2.83Å
119P69.4Low83.2Confident66 Ų6645.8 Ų45.843%0.42924%0.244SC..Hα-helixtrans-61.1-51.5-176.5-21.831.3000113.6E121 N122 D123 T168P119-E121 VanDerWaalsContact C-N 3.28Å; P119-E121 PolarHBondContact O-N 3.25Å; P119-N122 PolarHBondContact O-N 3.45Å; P119-D123 WeakPolarHBondContact O-CB 3.42Å; P119-D123 PolarHBondContact O-N 3.24Å; P119-T168 HydrophobicContact CB-CG2 4.45Å; P119-T168 HydrophobicContact CG-CG2 4.21Å
120D66.1Low83Confident114 Ų11449.6 Ų49.661%0.6126%0.262SS*.Hα-helixtrans-55.5-42.3179.255.8-23.4000112.9C118C118-D120 WeakPolarHBondContact CB-OD1 3.21Å
121E59.7Low82.8Confident82 Ų8253.4 Ų53.438%0.38328%0.279SS..Hα-helixtrans-76.8-28.9-176.7-80-131.1118.600113.8R16 C118 P119R16-E121 IonicContact CZ-OE1 3.69Å; R16-E121 IonicContact CZ-OE2 3.38Å; R16-E121 VanDerWaalsContact NH1-CB 3.34Å; R16-E121 IonicContact NH1-OE1 2.76Å; R16-E121 PolarHBondContact NH1-OE1 3.49Å; R16-E121 IonicContact NH1-OE2 3.52Å; R16-E121 PolarHBondContact NH1-OE2 2.86Å; R16-E121 VanDerWaalsContact NH2-CD 3.33Å; R16-E121 IonicContact NH2-OE1 2.68Å; R16-E121 PolarHBondContact NH2-OE1 3.25Å; R16-E121 IonicContact NH2-OE2 3.5Å; C118-E121 HydrophobicContact CB-CB 3.87Å; C118-E121 HydrophobicContact CB-CG 4.11Å; P119-E121 VanDerWaalsContact C-N 3.28Å; P119-E121 PolarHBondContact O-N 3.25Å
122N62.4Low82.6Confident13 Ų1353.3 Ų53.37%0.0728%0.279CS..Hα-helixtrans-99.2-19.6-176.7-72.7-66.4000114.4L117 C118 P119 H124 T125 I126L117-N122 HydrophobicContact CD1-CB 4.08Å; L117-N122 WeakPolarHBondContact CD1-ND2 3.48Å; L117-N122 HydrophobicContact CG-CB 4.38Å; L117-N122 WeakPolarHBondContact CG-ND2 3.43Å; C118-N122 PolarHBondContact N-ND2 2.89Å; C118-N122 WeakPolarHBondContact O-CB 3.29Å; C118-N122 PolarHBondContact O-N 3.35Å; C118-N122 VanDerWaalsContact O-N 3.17Å; C118-N122 PolarHBondContact O-ND2 2.83Å; P119-N122 PolarHBondContact O-N 3.45Å; N122-H124 PolarHBondContact O-N 3.47Å; N122-H124 VanDerWaalsContact O-N 3.16Å; N122-T125 PolarHBondContact O-N 2.98Å; N122-I126 HydrophobicContact CB-CD1 4.32Å; N122-I126 PolarHBondContact O-N 3.16Å
123D71.5Confident82.5Confident95 Ų9550.9 Ų50.951%0.50827%0.27SS..Hα-helixtrans-51.9-40.4176.4-83.6-12.5000111.2P119 T125 Q127P119-D123 WeakPolarHBondContact O-CB 3.42Å; P119-D123 PolarHBondContact O-N 3.24Å; D123-T125 PolarHBondContact O-N 2.98Å; D123-Q127 WeakPolarHBondContact O-CA 3.48Å; D123-Q127 WeakPolarHBondContact O-CB 3.28Å; D123-Q127 PolarHBondContact O-N 2.76Å
124H80.8Confident82.5Confident78 Ų7851.9 Ų51.936%0.36128%0.281SS..Hα-helixtrans-63.2-38.7178.3-65.5-42.6000114.4N122 F128N122-H124 PolarHBondContact O-N 3.47Å; N122-H124 VanDerWaalsContact O-N 3.16Å; H124-F128 VanDerWaalsContact O-CB 3.26Å; H124-F128 WeakPolarHBondContact O-CB 3.39Å; H124-F128 PolarHBondContact O-N 2.94Å
125T84.8Confident82.5Confident7 Ų755.5 Ų55.54%0.04331%0.308CS..Hα-helixtrans-77.4-42.8-178.6-58.70000110.6R16 L109 N122 D123 F128 I129R16-T125 WeakPolarHBondContact CG-OG1 3.44Å; L109-T125 HydrophobicContact CD1-CG2 3.58Å; N122-T125 PolarHBondContact O-N 2.98Å; D123-T125 PolarHBondContact O-N 2.98Å; T125-F128 WeakPolarHBondContact O-CB 3.47Å; T125-F128 PolarHBondContact O-N 2.83Å; T125-I129 HydrophobicContact CG2-CD1 4.45Å; T125-I129 WeakPolarHBondContact O-CG1 3.16Å; T125-I129 PolarHBondContact O-N 2.87Å
126I88.4Confident82.6Confident25 Ų2553.6 Ų53.613%0.12830%0.3CS..Hα-helixtrans-64.6-45.7176.7-65.2168.8000109.7L109 N122 F128 I129 Q130 W137 L172L109-I126 HydrophobicContact CD2-CG1 4.18Å; N122-I126 HydrophobicContact CB-CD1 4.32Å; N122-I126 PolarHBondContact O-N 3.16Å; I126-F128 VanDerWaalsContact C-N 3.29Å; I126-F128 PolarHBondContact O-N 2.81Å; I126-I129 PolarHBondContact O-N 3.3Å; I126-I129 VanDerWaalsContact O-N 3.14Å; I126-Q130 HydrophobicContact CG2-CG 4.44Å; I126-Q130 VanDerWaalsContact O-CG 3.28Å; I126-Q130 WeakPolarHBondContact O-CG 3.5Å; I126-Q130 PolarHBondContact O-N 2.84Å; I126-W137 HydrophobicContact CG2-CH2 4.33Å; I126-L172 HydrophobicContact CD1-CD1 4.03Å; I126-L172 HydrophobicContact CD1-CD2 4.25Å; I126-L172 HydrophobicContact CG1-CD1 4.4Å
127Q89.2Confident83.2Confident73 Ų7349.7 Ų49.734%0.34127%0.272SS..Hα-helixtrans-57.9-43.1174.1-176.2-17211.700111.1K85 D123 I129 Q130 E131K85-Q127 VanDerWaalsContact NZ-CD 3.29Å; D123-Q127 WeakPolarHBondContact O-CA 3.48Å; D123-Q127 WeakPolarHBondContact O-CB 3.28Å; D123-Q127 PolarHBondContact O-N 2.76Å; Q127-I129 VanDerWaalsContact C-N 3.35Å; Q127-I129 PolarHBondContact O-N 2.99Å; Q127-Q130 WeakPolarHBondContact O-CB 3.48Å; Q127-Q130 PolarHBondContact O-N 3.41Å; Q127-E131 HydrophobicContact CG-CG 4.41Å; Q127-E131 VanDerWaalsContact CG-OE1 3.26Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.5Å; Q127-E131 PolarHBondContact NE2-OE1 3.36Å; Q127-E131 WeakPolarHBondContact O-CB 3.33Å; Q127-E131 WeakPolarHBondContact O-CG 3.3Å; Q127-E131 PolarHBondContact O-N 2.93Å
128F88.9Confident83.7Confident17 Ų1753 Ų538%0.07529%0.286CS..Hα-helixtrans-59.3-45.2175.4168.5-128.4000112.1L14 V88 Q89 V92 H124 T125 I126 Q130 E131 L132L14-F128 HydrophobicContact CD2-CE1 4.04Å; V88-F128 HydrophobicContact CG1-CE1 4.47Å; V88-F128 HydrophobicContact CG1-CZ 4.41Å; Q89-F128 HydrophobicContact CB-CD2 4.21Å; Q89-F128 HydrophobicContact CB-CE2 3.76Å; Q89-F128 HydrophobicContact CG-CD2 3.5Å; Q89-F128 VanDerWaalsContact CG-CD2 3.5Å; Q89-F128 HydrophobicContact CG-CE2 3.56Å; V92-F128 HydrophobicContact CB-CZ 3.85Å; V92-F128 HydrophobicContact CG1-CZ 3.89Å; V92-F128 HydrophobicContact CG2-CZ 3.99Å; H124-F128 VanDerWaalsContact O-CB 3.26Å; H124-F128 WeakPolarHBondContact O-CB 3.39Å; H124-F128 PolarHBondContact O-N 2.94Å; T125-F128 WeakPolarHBondContact O-CB 3.47Å; T125-F128 PolarHBondContact O-N 2.83Å; I126-F128 VanDerWaalsContact C-N 3.29Å; I126-F128 PolarHBondContact O-N 2.81Å; F128-Q130 VanDerWaalsContact C-N 3.33Å; F128-Q130 PolarHBondContact O-N 3.45Å; F128-E131 PolarHBondContact O-N 3.47Å; F128-L132 HydrophobicContact CD2-CB 4.49Å; F128-L132 HydrophobicContact CE1-CD2 4.44Å; F128-L132 HydrophobicContact CE2-CB 4.2Å; F128-L132 HydrophobicContact CE2-CD2 4.28Å; F128-L132 HydrophobicContact CZ-CD2 3.95Å; F128-L132 WeakPolarHBondContact O-CB 3.13Å; F128-L132 PolarHBondContact O-N 3.01Å
129I91.4Very high84.8Confident0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-62.3-42.1176.8-68.8174.3000111.1L14 L109 T125 I126 Q127 L132 L133 W137L14-I129 HydrophobicContact CB-CD1 4.11Å; L14-I129 HydrophobicContact CB-CG1 4.31Å; L14-I129 HydrophobicContact CD1-CD1 4.14Å; L14-I129 HydrophobicContact CD1-CG1 3.71Å; L109-I129 HydrophobicContact CB-CD1 3.95Å; L109-I129 HydrophobicContact CD1-CD1 3.84Å; L109-I129 HydrophobicContact CD2-CD1 4.23Å; L109-I129 HydrophobicContact CG-CD1 4.21Å; T125-I129 HydrophobicContact CG2-CD1 4.45Å; T125-I129 WeakPolarHBondContact O-CG1 3.16Å; T125-I129 PolarHBondContact O-N 2.87Å; I126-I129 PolarHBondContact O-N 3.3Å; I126-I129 VanDerWaalsContact O-N 3.14Å; Q127-I129 VanDerWaalsContact C-N 3.35Å; Q127-I129 PolarHBondContact O-N 2.99Å; I129-L132 PolarHBondContact O-N 3.43Å; I129-L133 HydrophobicContact CG2-CD1 3.68Å; I129-L133 HydrophobicContact CG2-CG 4.13Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.2Å; I129-W137 HydrophobicContact CG2-CB 4.3Å; I129-W137 HydrophobicContact CG2-CD2 4.48Å; I129-W137 HydrophobicContact CG2-CE3 3.85Å
130Q92.4Very high86.1Confident82 Ų8250.8 Ų50.838%0.38327%0.268SS..Hα-helixtrans-61.2-45.6176.5-71173.8-6.400112I126 Q127 F128 L132 G134 W137I126-Q130 HydrophobicContact CG2-CG 4.44Å; I126-Q130 VanDerWaalsContact O-CG 3.28Å; I126-Q130 WeakPolarHBondContact O-CG 3.5Å; I126-Q130 PolarHBondContact O-N 2.84Å; Q127-Q130 WeakPolarHBondContact O-CB 3.48Å; Q127-Q130 PolarHBondContact O-N 3.41Å; F128-Q130 VanDerWaalsContact C-N 3.33Å; F128-Q130 PolarHBondContact O-N 3.45Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.47Å; Q130-G134 WeakPolarHBondContact O-CA 3.42Å; Q130-G134 PolarHBondContact O-N 2.93Å; Q130-W137 HydrophobicContact CG-CD2 3.94Å; Q130-W137 HydrophobicContact CG-CG 3.99Å; Q130-W137 HydrophobicContact CG-CZ2 4.23Å
131E90.9Very high87.6Confident80 Ų8045.4 Ų45.437%0.37424%0.239SC..Hα-helixtrans-70.9-24.2177.3-71.1171.3-170.500113K85 Q89 R93 Q127 F128K85-E131 IonicContact NZ-OE1 2.69Å; Q89-E131 PolarHBondContact NE2-OE2 3.02Å; R93-E131 PolarHBondContact NH2-O 3.29Å; R93-E131 VanDerWaalsContact NH2-O 3.16Å; Q127-E131 HydrophobicContact CG-CG 4.41Å; Q127-E131 VanDerWaalsContact CG-OE1 3.26Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.5Å; Q127-E131 PolarHBondContact NE2-OE1 3.36Å; Q127-E131 WeakPolarHBondContact O-CB 3.33Å; Q127-E131 WeakPolarHBondContact O-CG 3.3Å; Q127-E131 PolarHBondContact O-N 2.93Å; F128-E131 PolarHBondContact O-N 3.47Å
132L90.1Very high89.4Confident9 Ų941.5 Ų41.55%0.04722%0.221CC..Hα-helixtrans-82.5-49.8179.2-179.764000111.6L14 V92 R93 L96 F128 I129 Q130 L215L14-L132 HydrophobicContact CD1-CD2 4Å; L14-L132 HydrophobicContact CD2-CD2 4.43Å; V92-L132 HydrophobicContact CG1-CD1 4.32Å; V92-L132 HydrophobicContact CG1-CD2 3.74Å; R93-L132 HydrophobicContact CB-CD1 4.37Å; R93-L132 HydrophobicContact CG-CD1 3.32Å; L96-L132 HydrophobicContact CD1-CD1 4Å; L96-L132 HydrophobicContact CD1-CD2 3.84Å; L96-L132 HydrophobicContact CD1-CG 4.21Å; F128-L132 HydrophobicContact CD2-CB 4.49Å; F128-L132 HydrophobicContact CE1-CD2 4.44Å; F128-L132 HydrophobicContact CE2-CB 4.2Å; F128-L132 HydrophobicContact CE2-CD2 4.28Å; F128-L132 HydrophobicContact CZ-CD2 3.95Å; F128-L132 WeakPolarHBondContact O-CB 3.13Å; F128-L132 PolarHBondContact O-N 3.01Å; I129-L132 PolarHBondContact O-N 3.43Å; Q130-L132 VanDerWaalsContact C-N 3.29Å; Q130-L132 PolarHBondContact O-N 3.47Å; L132-L215 WeakPolarHBondContact O-CD2 3.41Å
133L91.7Very high91.1Very high7 Ų741 Ų414%0.03722%0.218CC..Hα-helixtrans-96-12.5-172.2-51.5-175.5000113L104 A107 I129 W137 F140 L213L104-L133 HydrophobicContact CD2-CD2 3.82Å; A107-L133 HydrophobicContact CB-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CD1 3.68Å; I129-L133 HydrophobicContact CG2-CG 4.13Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.2Å; L133-W137 HydrophobicContact CB-CB 3.66Å; L133-W137 HydrophobicContact CD1-CB 4.2Å; L133-W137 HydrophobicContact CG-CB 4.44Å; L133-F140 HydrophobicContact CD1-CB 4.48Å; L133-L213 HydrophobicContact CB-CD2 3.68Å; L133-L213 HydrophobicContact CD2-CD2 3.54Å; L133-L213 HydrophobicContact CG-CD2 4.09Å
134G92.6Very high92.3Very high26 Ų2636.5 Ų36.527%0.26819%0.194SC..G310 helixtrans75.1-160.4178.200000113.8Q130 T136 W137Q130-G134 WeakPolarHBondContact O-CA 3.42Å; Q130-G134 PolarHBondContact O-N 2.93Å; G134-T136 PolarHBondContact O-N 2.97Å; G134-T136 VanDerWaalsContact O-N 3.08Å; G134-W137 WeakPolarHBondContact O-CB 3.39Å; G134-W137 PolarHBondContact O-N 3.4Å
135P91.9Very high93.1Very high135 Ų13532.9 Ų32.988%0.87718%0.177SC*.G310 helixtrans-58.2-27.2-173-26.835.3000114.9W137P135-W137 VanDerWaalsContact C-N 3.33Å
136T92.9Very high93.5Very high58 Ų5832.5 Ų32.536%0.35618%0.175SC..G310 helixtrans-89.99.7-178.855.20000113.3G134 K138 D139 F140G134-T136 PolarHBondContact O-N 2.97Å; G134-T136 VanDerWaalsContact O-N 3.08Å; T136-K138 PolarHBondContact O-N 2.81Å; T136-D139 PolarHBondContact O-N 2.88Å; T136-F140 WeakPolarHBondContact O-CD2 3.39Å
137W94.4Very high93.7Very high18 Ų1833.1 Ų33.17%0.06818%0.177CC..THydrogen-bonded Turntrans-50.4-37.3-173.974.7-86.7000113.6I126 I129 Q130 L133 G134 P135 D139 F140 T141 L172 V176I126-W137 HydrophobicContact CG2-CH2 4.33Å; I129-W137 HydrophobicContact CG2-CB 4.3Å; I129-W137 HydrophobicContact CG2-CD2 4.48Å; I129-W137 HydrophobicContact CG2-CE3 3.85Å; Q130-W137 HydrophobicContact CG-CD2 3.94Å; Q130-W137 HydrophobicContact CG-CG 3.99Å; Q130-W137 HydrophobicContact CG-CZ2 4.23Å; L133-W137 HydrophobicContact CB-CB 3.66Å; L133-W137 HydrophobicContact CD1-CB 4.2Å; L133-W137 HydrophobicContact CG-CB 4.44Å; G134-W137 WeakPolarHBondContact O-CB 3.39Å; G134-W137 PolarHBondContact O-N 3.4Å; P135-W137 VanDerWaalsContact C-N 3.33Å; W137-D139 VanDerWaalsContact C-N 3.31Å; W137-D139 PolarHBondContact O-N 2.98Å; W137-F140 CarbonylContact O-C 3.55Å; W137-F140 PolarHBondContact O-N 3.16Å; W137-T141 HydrophobicContact CE3-CG2 4.41Å; W137-T141 HydrophobicContact CZ3-CG2 4.35Å; W137-T141 VanDerWaalsContact O-CB 3.29Å; W137-T141 WeakPolarHBondContact O-CB 3.49Å; W137-T141 PolarHBondContact O-N 3.4Å; W137-T141 PolarHBondContact O-OG1 3.28Å; W137-L172 HydrophobicContact CH2-CD1 4.23Å; W137-V176 HydrophobicContact CH2-CG1 4.24Å; W137-V176 HydrophobicContact CZ3-CG1 3.82Å
138K95.4Very high93.8Very high86 Ų8629.8 Ų29.837%0.37416%0.163SC..THydrogen-bonded Turntrans-59.2-41.5-179.4-67.2176176.8-175.70112.1T136 F140 T141 S175 Q177 K179T136-K138 PolarHBondContact O-N 2.81Å; K138-F140 VanDerWaalsContact C-N 3.26Å; K138-F140 PolarHBondContact O-N 2.99Å; K138-T141 PolarHBondContact O-N 2.8Å; K138-S175 WeakPolarHBondContact CB-O 3.31Å; K138-S175 VanDerWaalsContact CD-O 3.3Å; K138-S175 WeakPolarHBondContact CD-O 3.43Å; K138-S175 WeakPolarHBondContact CG-O 3.28Å; K138-Q177 PolarHBondContact O-OE1 2.86Å; K138-K179 PolarHBondContact O-NZ 3.32Å
139D95.6Very high93.9Very high54 Ų5429.8 Ų29.829%0.28916%0.163SC..THydrogen-bonded Turntrans-69.4-30.5-176.7-57.9-34.7000111.5T136 W137 Q177 K179T136-D139 PolarHBondContact O-N 2.88Å; W137-D139 VanDerWaalsContact C-N 3.31Å; W137-D139 PolarHBondContact O-N 2.98Å; D139-Q177 PolarHBondContact OD1-NE2 2.96Å; D139-K179 VanDerWaalsContact C-NZ 3.3Å; D139-K179 PolarHBondContact O-NZ 3.02Å
140F97Very high93.8Very high8 Ų835.5 Ų35.54%0.03519%0.185CC..THydrogen-bonded Turntrans-101.813.5-179.5-64.1-86.7000114L106 A107 L133 T136 W137 K138 N208 Q211 L213L106-F140 CarbonylContact C-O 3.49Å; L106-F140 WeakPolarHBondContact CA-O 3.29Å; A107-F140 PolarHBondContact N-O 3.31Å; L133-F140 HydrophobicContact CD1-CB 4.48Å; T136-F140 WeakPolarHBondContact O-CD2 3.39Å; W137-F140 CarbonylContact O-C 3.55Å; W137-F140 PolarHBondContact O-N 3.16Å; K138-F140 VanDerWaalsContact C-N 3.26Å; K138-F140 PolarHBondContact O-N 2.99Å; F140-N208 WeakPolarHBondContact CE1-ND2 3.13Å; F140-N208 WeakPolarHBondContact CZ-ND2 3.44Å; F140-Q211 HydrophobicContact CE1-CB 4.32Å; F140-Q211 WeakPolarHBondContact CE1-O 3.25Å; F140-Q211 HydrophobicContact CZ-CB 4.04Å; F140-L213 HydrophobicContact CB-CD2 4.45Å; F140-L213 HydrophobicContact CD1-CB 3.68Å; F140-L213 HydrophobicContact CD2-CB 4.14Å; F140-L213 HydrophobicContact CD2-CD1 4.18Å; F140-L213 HydrophobicContact CD2-CD2 4.47Å; F140-L213 HydrophobicContact CE1-CB 3.71Å; F140-L213 VanDerWaalsContact CE1-N 3.31Å; F140-L213 HydrophobicContact CE2-CB 4.2Å; F140-L213 HydrophobicContact CE2-CD1 4.08Å; F140-L213 HydrophobicContact CG-CB 3.89Å; F140-L213 HydrophobicContact CG-CD2 4.37Å; F140-L213 HydrophobicContact CZ-CB 3.98Å
141T97.8Very high93.5Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-121.7135.2179.6-57.50000111.6A107 L109 W137 K138 V176 K179A107-T141 CarbonylContact O-C 3.53Å; A107-T141 VanDerWaalsContact O-CA 3.3Å; A107-T141 WeakPolarHBondContact O-CA 3.42Å; L109-T141 HydrophobicContact CB-CG2 4.12Å; W137-T141 HydrophobicContact CE3-CG2 4.41Å; W137-T141 HydrophobicContact CZ3-CG2 4.35Å; W137-T141 VanDerWaalsContact O-CB 3.29Å; W137-T141 WeakPolarHBondContact O-CB 3.49Å; W137-T141 PolarHBondContact O-N 3.4Å; W137-T141 PolarHBondContact O-OG1 3.28Å; K138-T141 PolarHBondContact O-N 2.8Å; T141-V176 HydrophobicContact CG2-CG1 4.21Å; T141-K179 WeakPolarHBondContact O-CE 3.32Å
142A98.2Very high93.2Very high1 Ų133.4 Ų33.41%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-123.3152.2164.700000110L106 A107 L108 L109 K179 F204L106-A142 HydrophobicContact CD1-CB 4.25Å; L106-A142 HydrophobicContact CD2-CB 3.83Å; L106-A142 HydrophobicContact CG-CB 4.21Å; A107-A142 PolarHBondContact O-N 3.37Å; L108-A142 CarbonylContact C-O 3.54Å; L108-A142 WeakPolarHBondContact CA-O 3.5Å; L108-A142 HydrophobicContact CD2-CB 4.02Å; L109-A142 PolarHBondContact N-O 2.7Å; A142-K179 CarbonylContact C-O 3.34Å; A142-K179 VanDerWaalsContact CA-O 3.26Å; A142-K179 WeakPolarHBondContact CA-O 3.35Å; A142-K179 HydrophobicContact CB-CB 3.79Å; A142-K179 WeakPolarHBondContact CB-O 3.2Å; A142-F204 HydrophobicContact CB-CD2 4Å; A142-F204 HydrophobicContact CB-CE2 4.19Å
143V97.6Very high93.2Very high1 Ų139.2 Ų39.21%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-92.7132.3176.6172.20000110.1L109 L111 L145 L172 L173 V176 K179 Y180 I181L109-V143 HydrophobicContact CB-CG2 4.47Å; L109-V143 HydrophobicContact CD2-CG2 4.42Å; L109-V143 CarbonylContact O-C 3.54Å; L109-V143 WeakPolarHBondContact O-CA 3.25Å; L111-V143 HydrophobicContact CD1-CG1 3.81Å; L111-V143 HydrophobicContact CG-CG1 4.4Å; V143-L145 HydrophobicContact CG1-CD2 4.4Å; V143-L145 HydrophobicContact CG1-CG 4.08Å; V143-L172 HydrophobicContact CG2-CD2 4.1Å; V143-L172 HydrophobicContact CG2-CG 4.18Å; V143-L173 HydrophobicContact CB-CD2 3.83Å; V143-L173 HydrophobicContact CG1-CD2 4.05Å; V143-L173 HydrophobicContact CG2-CD2 3.94Å; V143-V176 HydrophobicContact CG2-CG2 4.19Å; V143-K179 PolarHBondContact N-O 2.98Å; V143-Y180 CarbonylContact O-C 3.53Å; V143-Y180 WeakPolarHBondContact O-CA 3.04Å; V143-I181 PolarHBondContact O-N 3.42Å
144L97.1Very high93Very high2 Ų242 Ų421%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-115.4108.1175.3-170.665.5000108.7A24 L108 L109 V110 L111 T146 I181 L183A24-L144 HydrophobicContact CB-CD2 3.58Å; L108-L144 HydrophobicContact CD1-CD2 4.43Å; L109-L144 PolarHBondContact O-N 3.43Å; V110-L144 WeakPolarHBondContact CA-O 3.25Å; V110-L144 HydrophobicContact CG2-CB 4.47Å; V110-L144 HydrophobicContact CG2-CD2 4.33Å; L111-L144 PolarHBondContact N-O 2.99Å; L111-L144 VanDerWaalsContact O-O 3.09Å; L144-T146 PolarHBondContact O-N 3.47Å; L144-I181 WeakPolarHBondContact CA-O 3.46Å; L144-I181 HydrophobicContact CD1-CB 3.8Å; L144-I181 HydrophobicContact CD1-CG2 3.95Å; L144-L183 HydrophobicContact CD1-CB 3.88Å; L144-L183 HydrophobicContact CD1-CD2 4.13Å; L144-L183 HydrophobicContact CD2-CD2 3.82Å; L144-L183 HydrophobicContact CG-CB 4.25Å; L144-L183 HydrophobicContact CG-CD2 4.11Å
145L96.1Very high92.7Very high1 Ų144 Ų441%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-89.397.6179.9-72.6164000108.9L111 A113 V143 Y161 I181 F182 L183L111-L145 HydrophobicContact CB-CD2 4Å; L111-L145 CarbonylContact O-C 3.54Å; L111-L145 WeakPolarHBondContact O-CA 3.28Å; A113-L145 HydrophobicContact CB-CB 4.24Å; V143-L145 HydrophobicContact CG1-CD2 4.4Å; V143-L145 HydrophobicContact CG1-CG 4.08Å; L145-Y161 HydrophobicContact CD1-CE1 4.24Å; L145-I181 PolarHBondContact N-O 2.84Å; L145-F182 HydrophobicContact CB-CD1 3.89Å; L145-F182 HydrophobicContact CB-CE1 4.12Å; L145-F182 HydrophobicContact CB-CG 4.28Å; L145-F182 HydrophobicContact CD1-CD1 4.15Å; L145-F182 HydrophobicContact CD1-CD2 4.32Å; L145-F182 HydrophobicContact CD1-CE1 3.63Å; L145-F182 HydrophobicContact CD1-CE2 3.82Å; L145-F182 HydrophobicContact CD1-CG 4.48Å; L145-F182 HydrophobicContact CD1-CZ 3.45Å; L145-F182 VanDerWaalsContact CD1-CZ 3.45Å; L145-F182 HydrophobicContact CG-CE1 4.47Å; L145-F182 CarbonylContact O-C 3.5Å; L145-F182 WeakPolarHBondContact O-CA 3.3Å; L145-L183 PolarHBondContact O-N 3.04Å
146T94.5Very high92.5Very high0 Ų041.9 Ų41.90%023%0.225CC..EExtended strand (participates in β ladder)trans-79.2171.2176.664.50000111.2T19 A24 V110 L111 A113 L144 A148 L183T19-T146 WeakPolarHBondContact O-CG2 3.21Å; T19-T146 PolarHBondContact O-OG1 3.35Å; A24-T146 HydrophobicContact CB-CG2 4.47Å; V110-T146 HydrophobicContact CG1-CG2 3.47Å; V110-T146 VanDerWaalsContact CG1-CG2 3.47Å; L111-T146 PolarHBondContact O-N 3.18Å; L111-T146 PolarHBondContact O-OG1 2.72Å; A113-T146 WeakPolarHBondContact CB-O 3.28Å; A113-T146 PolarHBondContact N-O 3.33Å; L144-T146 PolarHBondContact O-N 3.47Å; T146-A148 PolarHBondContact O-N 3.18Å; T146-L183 CarbonylContact C-O 3.53Å; T146-L183 WeakPolarHBondContact CA-O 3.15Å; T146-L183 HydrophobicContact CG2-CD2 4.47Å
147H92.1Very high92.5Very high37 Ų3742.3 Ų42.317%0.17123%0.231CC..  trans61.632.6-177.2-5474.3000111.8R112 D114 D149 R150 L183R112-H147 VanDerWaalsContact CZ-CE1 3.47Å; R112-H147 VanDerWaalsContact CZ-NE2 3.34Å; R112-H147 PolarHBondContact NH1-CE1 3.16Å; R112-H147 PolarHBondContact NH1-NE2 3.36Å; R112-H147 PolarHBondContact NH2-CD2 3.42Å; R112-H147 VanDerWaalsContact NH2-CD2 3.28Å; R112-H147 PolarHBondContact NH2-NE2 2.87Å; D114-H147 HydrophobicContact CB-CB 4.49Å; H147-D149 WeakPolarHBondContact CA-OD1 3.37Å; H147-D149 PolarHBondContact O-N 3.48Å; H147-R150 HydrophobicContact CB-CG 4.16Å; H147-R150 WeakPolarHBondContact O-CB 3.48Å; H147-R150 PolarHBondContact O-N 3.28Å; H147-R150 VanDerWaalsContact O-N 3.13Å; H147-L183 PolarHBondContact N-O 3.17Å
148A91.3Very high92.4Very high4 Ų445.2 Ų45.23%0.03325%0.245CC..Hα-helixtrans-65.1-26177.700000112.2T146 R150 T151 E152 F182 L183T146-A148 PolarHBondContact O-N 3.18Å; A148-R150 PolarHBondContact O-N 2.98Å; A148-T151 WeakPolarHBondContact CA-OG1 3.16Å; A148-T151 PolarHBondContact O-N 3.38Å; A148-T151 VanDerWaalsContact O-N 3.09Å; A148-T151 PolarHBondContact O-OG1 3.12Å; A148-E152 WeakPolarHBondContact O-CG 3.46Å; A148-E152 PolarHBondContact O-N 2.83Å; A148-F182 HydrophobicContact CB-CB 3.84Å; A148-F182 HydrophobicContact CB-CD1 4.13Å; A148-L183 PolarHBondContact N-O 2.97Å
149D89.9Confident92.3Very high17 Ų1746.2 Ų46.29%0.09125%0.254CS..Hα-helixtrans-52.9-42.2169.356.7-37.6000111.8H147 T151 E152 E153 D184H147-D149 WeakPolarHBondContact CA-OD1 3.37Å; H147-D149 PolarHBondContact O-N 3.48Å; D149-T151 VanDerWaalsContact C-N 3.33Å; D149-T151 PolarHBondContact O-N 3.09Å; D149-E152 PolarHBondContact O-N 3.27Å; D149-E153 WeakPolarHBondContact O-CB 3.48Å; D149-E153 VanDerWaalsContact O-CG 3.25Å; D149-E153 WeakPolarHBondContact O-CG 3.46Å; D149-E153 PolarHBondContact O-N 3.16Å; D149-D184 HydrophobicContact CB-CB 4.43Å
150R89.5Confident92.2Very high120 Ų12045.6 Ų45.645%0.45326%0.256SS..Hα-helixtrans-65.5-35.9178-60.3-56.5-171.1-170.4-2.6113D114 H147 A148 E153 A154D114-R150 HydrophobicContact CB-CB 3.8Å; D114-R150 HydrophobicContact CB-CG 4.24Å; H147-R150 HydrophobicContact CB-CG 4.16Å; H147-R150 WeakPolarHBondContact O-CB 3.48Å; H147-R150 PolarHBondContact O-N 3.28Å; H147-R150 VanDerWaalsContact O-N 3.13Å; A148-R150 PolarHBondContact O-N 2.98Å; R150-E153 WeakPolarHBondContact CD-OE2 3.08Å; R150-E153 IonicContact CZ-OE2 3.76Å; R150-E153 IonicContact NH1-OE1 3.12Å; R150-E153 IonicContact NH1-OE2 3.54Å; R150-E153 PolarHBondContact NH1-OE2 2.99Å; R150-A154 WeakPolarHBondContact O-CB 3.44Å; R150-A154 PolarHBondContact O-N 3.01Å; R150-A154 VanDerWaalsContact O-N 3.1Å
151T86.2Confident92Very high13 Ų1346.5 Ų46.58%0.0826%0.26CS..Hα-helixtrans-71.9-38.3176.453.20000111.7A113 A148 D149 A154 G155 F156 Y161A113-T151 HydrophobicContact CB-CG2 3.61Å; A148-T151 WeakPolarHBondContact CA-OG1 3.16Å; A148-T151 PolarHBondContact O-N 3.38Å; A148-T151 VanDerWaalsContact O-N 3.09Å; A148-T151 PolarHBondContact O-OG1 3.12Å; D149-T151 VanDerWaalsContact C-N 3.33Å; D149-T151 PolarHBondContact O-N 3.09Å; T151-A154 PolarHBondContact O-N 3.42Å; T151-G155 PolarHBondContact O-N 2.81Å; T151-F156 WeakPolarHBondContact O-CB 3.45Å; T151-F156 PolarHBondContact O-N 3.15Å; T151-Y161 HydrophobicContact CG2-CD2 3.65Å; T151-Y161 HydrophobicContact CG2-CE2 3.72Å
152E86.1Confident91.8Very high104 Ų10447.5 Ų47.549%0.48627%0.265SS..Hα-helixtrans-64.3-45.2173.6-70.8177.9-174.800111.4A148 D149 A154 G155 K187A148-E152 WeakPolarHBondContact O-CG 3.46Å; A148-E152 PolarHBondContact O-N 2.83Å; D149-E152 PolarHBondContact O-N 3.27Å; E152-A154 PolarHBondContact O-N 2.8Å; E152-G155 WeakPolarHBondContact O-CA 3.5Å; E152-G155 PolarHBondContact O-N 2.66Å; E152-K187 IonicContact OE2-NZ 3.56Å; E152-K187 PolarHBondContact OE2-NZ 3.39Å
153E88.8Confident91.6Very high131 Ų13155.3 Ų55.361%0.61230%0.301SS*.Hα-helixtrans-58.3-36175.1-76.7174.4174.400112D149 R150 G155D149-E153 WeakPolarHBondContact O-CB 3.48Å; D149-E153 VanDerWaalsContact O-CG 3.25Å; D149-E153 WeakPolarHBondContact O-CG 3.46Å; D149-E153 PolarHBondContact O-N 3.16Å; R150-E153 WeakPolarHBondContact CD-OE2 3.08Å; R150-E153 IonicContact CZ-OE2 3.76Å; R150-E153 IonicContact NH1-OE1 3.12Å; R150-E153 IonicContact NH1-OE2 3.54Å; R150-E153 PolarHBondContact NH1-OE2 2.99Å; E153-G155 PolarHBondContact O-N 3.11Å
154A87.6Confident91.2Very high67 Ų6758.9 Ų58.955%0.55433%0.326SS*.THydrogen-bonded Turntrans-77.20.5174.700000113.8R150 T151 E152 F156R150-A154 WeakPolarHBondContact O-CB 3.44Å; R150-A154 PolarHBondContact O-N 3.01Å; R150-A154 VanDerWaalsContact O-N 3.1Å; T151-A154 PolarHBondContact O-N 3.42Å; E152-A154 PolarHBondContact O-N 2.8Å; A154-F156 HydrophobicContact CB-CD2 3.9Å; A154-F156 HydrophobicContact CB-CE2 4.23Å
155G87.1Confident90.9Very high68 Ų6859.6 Ų59.670%0.70133%0.332SS*.THydrogen-bonded Turntrans83.414.2176.600000114.9T151 E152 E153T151-G155 PolarHBondContact O-N 2.81Å; E152-G155 WeakPolarHBondContact O-CA 3.5Å; E152-G155 PolarHBondContact O-N 2.66Å; E153-G155 PolarHBondContact O-N 3.11Å
156F87.7Confident90.7Very high89 Ų8961.9 Ų61.939%0.3935%0.348SS..  trans-89.8128.4176.3-70.4-87.3000111.1T151 A154 A160T151-F156 WeakPolarHBondContact O-CB 3.45Å; T151-F156 PolarHBondContact O-N 3.15Å; A154-F156 HydrophobicContact CB-CD2 3.9Å; A154-F156 HydrophobicContact CB-CE2 4.23Å; F156-A160 HydrophobicContact CD1-CB 4Å
157S92Very high90.6Very high68 Ų6866.5 Ų66.548%0.47638%0.381SS..  trans-73.7162.3156.966.70000110.4D159 A160 Y161S157-D159 PolarHBondContact O-N 2.99Å; S157-A160 PolarHBondContact O-N 2.88Å; S157-A160 VanDerWaalsContact O-N 3.15Å; S157-A160 WeakPolarHBondContact OG-CB 3.05Å; S157-A160 PolarHBondContact OG-N 3.17Å; S157-A160 VanDerWaalsContact OG-N 3.11Å; S157-Y161 WeakPolarHBondContact O-CB 3.47Å; S157-Y161 PolarHBondContact O-N 2.88Å
158E92.7Very high90.5Very high78 Ų7866.9 Ų66.936%0.36439%0.386SS..Hα-helixtrans-52.8-42173.9-64.9-169.8-169.600111.4Y161 L162 F182E158-Y161 WeakPolarHBondContact O-CB 3.4Å; E158-Y161 PolarHBondContact O-N 3.27Å; E158-L162 VanDerWaalsContact O-CG 3.3Å; E158-L162 WeakPolarHBondContact O-CG 3.48Å; E158-L162 PolarHBondContact O-N 2.92Å; E158-L162 VanDerWaalsContact O-N 3.12Å; E158-F182 HydrophobicContact CB-CD2 3.96Å; E158-F182 HydrophobicContact CB-CE2 3.84Å; E158-F182 HydrophobicContact CB-CZ 4.43Å; E158-F182 HydrophobicContact CG-CB 4.22Å; E158-F182 HydrophobicContact CG-CD2 3.48Å; E158-F182 VanDerWaalsContact CG-CD2 3.48Å; E158-F182 HydrophobicContact CG-CE2 3.9Å; E158-F182 HydrophobicContact CG-CG 3.85Å; E158-F182 WeakPolarHBondContact OE2-CD2 3.4Å
159D92.9Very high90.6Very high108 Ų10867 Ų6758%0.57839%0.385SS*.Hα-helixtrans-65.5-48.5177.7-69.1-35.7000111.5S157 Y161 L162 H163S157-D159 PolarHBondContact O-N 2.99Å; D159-Y161 VanDerWaalsContact C-N 3.27Å; D159-Y161 PolarHBondContact O-N 2.78Å; D159-L162 PolarHBondContact O-N 3.44Å; D159-L162 VanDerWaalsContact O-N 3.16Å; D159-H163 PolarHBondContact O-N 2.79Å; D159-H163 PolarHBondContact O-ND1 2.95Å
160A93.3Very high90.8Very high40 Ų4069.6 Ų69.633%0.33140%0.399SS..Hα-helixtrans-60.8-39.8179.500000111.5F156 S157 L162 H163 S164F156-A160 HydrophobicContact CD1-CB 4Å; S157-A160 PolarHBondContact O-N 2.88Å; S157-A160 VanDerWaalsContact O-N 3.15Å; S157-A160 WeakPolarHBondContact OG-CB 3.05Å; S157-A160 PolarHBondContact OG-N 3.17Å; S157-A160 VanDerWaalsContact OG-N 3.11Å; A160-L162 PolarHBondContact O-N 2.76Å; A160-H163 PolarHBondContact O-N 3.36Å; A160-S164 PolarHBondContact O-N 3.47Å; A160-S164 PolarHBondContact O-OG 2.94Å
161Y94Very high91Very high27 Ų2767.7 Ų67.711%0.10640%0.404CS..Hα-helixtrans-56.5-50.6174178.4-86.1000111A113 L145 T151 S157 E158 D159 H163 S164 A165 L169 F182A113-Y161 HydrophobicContact CB-CE2 4.25Å; A113-Y161 WeakPolarHBondContact O-CE2 3.39Å; A113-Y161 PolarHBondContact O-OH 2.9Å; A113-Y161 VanDerWaalsContact O-OH 3.1Å; L145-Y161 HydrophobicContact CD1-CE1 4.24Å; T151-Y161 HydrophobicContact CG2-CD2 3.65Å; T151-Y161 HydrophobicContact CG2-CE2 3.72Å; S157-Y161 WeakPolarHBondContact O-CB 3.47Å; S157-Y161 PolarHBondContact O-N 2.88Å; E158-Y161 WeakPolarHBondContact O-CB 3.4Å; E158-Y161 PolarHBondContact O-N 3.27Å; D159-Y161 VanDerWaalsContact C-N 3.27Å; D159-Y161 PolarHBondContact O-N 2.78Å; Y161-H163 VanDerWaalsContact C-N 3.35Å; Y161-H163 PolarHBondContact O-N 3.4Å; Y161-S164 CarbonylContact O-C 3.52Å; Y161-S164 PolarHBondContact O-N 3.3Å; Y161-S164 VanDerWaalsContact O-N 3.09Å; Y161-S164 PolarHBondContact O-OG 3.45Å; Y161-A165 PolarHBondContact O-N 3Å; Y161-L169 HydrophobicContact CE1-CD2 3.83Å; Y161-F182 AromaticContact CD1-CE1 3.68Å; Y161-F182 HydrophobicContact CD1-CE1 3.68Å; Y161-F182 AromaticContact CD1-CZ 3.41Å; Y161-F182 HydrophobicContact CD1-CZ 3.41Å; Y161-F182 VanDerWaalsContact CD1-CZ 3.41Å; Y161-F182 HydrophobicContact CD2-CE1 4.46Å; Y161-F182 AromaticContact CE1-CE1 3.95Å; Y161-F182 HydrophobicContact CE1-CE1 3.95Å; Y161-F182 AromaticContact CE1-CZ 3.89Å; Y161-F182 HydrophobicContact CE1-CZ 3.89Å; Y161-F182 AromaticContact CG-CE1 3.93Å; Y161-F182 HydrophobicContact CG-CE1 3.93Å; Y161-F182 AromaticContact CG-CZ 3.96Å; Y161-F182 HydrophobicContact CG-CZ 3.96Å
162L94.1Very high91.4Very high21 Ų2167.5 Ų67.511%0.1140%0.403CS..Hα-helixtrans-65.8-34.6-178.7-67.8169.2000113.1E158 D159 A160 S164 A165 L173 Y180E158-L162 VanDerWaalsContact O-CG 3.3Å; E158-L162 WeakPolarHBondContact O-CG 3.48Å; E158-L162 PolarHBondContact O-N 2.92Å; E158-L162 VanDerWaalsContact O-N 3.12Å; D159-L162 PolarHBondContact O-N 3.44Å; D159-L162 VanDerWaalsContact O-N 3.16Å; A160-L162 PolarHBondContact O-N 2.76Å; L162-S164 PolarHBondContact O-N 3.02Å; L162-A165 WeakPolarHBondContact O-CB 2.97Å; L162-A165 PolarHBondContact O-N 3.34Å; L162-L173 HydrophobicContact CD2-CD1 3.47Å; L162-L173 VanDerWaalsContact CD2-CD1 3.47Å; L162-Y180 HydrophobicContact CD1-CE1 4.3Å; L162-Y180 HydrophobicContact CD1-CE2 3.75Å; L162-Y180 VanDerWaalsContact CD1-CZ 3.47Å; L162-Y180 WeakPolarHBondContact CD1-OH 3.45Å
163H93.2Very high91.8Very high166 Ų16662.7 Ų62.777%0.76938%0.38SS*.Hα-helixtrans-64.8-29.9174.1-74.583.7000112.4D159 A160 Y161D159-H163 PolarHBondContact O-N 2.79Å; D159-H163 PolarHBondContact O-ND1 2.95Å; A160-H163 PolarHBondContact O-N 3.36Å; Y161-H163 VanDerWaalsContact C-N 3.35Å; Y161-H163 PolarHBondContact O-N 3.4Å
164S89.8Confident92.2Very high75 Ų7559.9 Ų59.952%0.52438%0.375SS..Hα-helixtrans-93.4-4.4177.970.80000114.3A160 Y161 L162A160-S164 PolarHBondContact O-N 3.47Å; A160-S164 PolarHBondContact O-OG 2.94Å; Y161-S164 CarbonylContact O-C 3.52Å; Y161-S164 PolarHBondContact O-N 3.3Å; Y161-S164 VanDerWaalsContact O-N 3.09Å; Y161-S164 PolarHBondContact O-OG 3.45Å; L162-S164 PolarHBondContact O-N 3.02Å
165A91.3Very high92.6Very high18 Ų1858 Ų5815%0.14936%0.358CS..SBendtrans-67.5151.5-173.700000112.6Y161 L162 L169 L170Y161-A165 PolarHBondContact O-N 3Å; L162-A165 WeakPolarHBondContact O-CB 2.97Å; L162-A165 PolarHBondContact O-N 3.34Å; A165-L169 HydrophobicContact CB-CB 4.5Å; A165-L169 HydrophobicContact CB-CD2 4.01Å; A165-L169 HydrophobicContact CB-CG 4.48Å; A165-L170 HydrophobicContact CB-CD2 4.07Å; A165-L170 HydrophobicContact CB-CG 4.1Å
166S91.1Very high93Very high48 Ų4854.8 Ų54.834%0.33633%0.325SS..  trans-62.8150.4175.770.40000111.7T168 L169 L170S166-T168 PolarHBondContact O-N 3.24Å; S166-L169 PolarHBondContact O-N 2.63Å; S166-L169 PolarHBondContact OG-N 3.4Å; S166-L170 WeakPolarHBondContact O-CG 3.26Å; S166-L170 PolarHBondContact O-N 3.44Å
167S91.3Very high93.4Very high98 Ų9855 Ų5569%0.68533%0.327SS*.Hα-helixtrans-56.1-33.2174.355.60000112.3L170 S171S167-L170 PolarHBondContact O-N 3.26Å; S167-S171 WeakPolarHBondContact O-CB 3.39Å; S167-S171 PolarHBondContact O-N 3.42Å
168T91.1Very high93.7Very high44 Ų4457.2 Ų57.227%0.2733%0.33SS..Hα-helixtrans-59.4-49.8173.7-46.90000111.6L117 P119 S166 S171 L172L117-T168 HydrophobicContact CD2-CG2 3.9Å; L117-T168 HydrophobicContact CG-CG2 4.34Å; P119-T168 HydrophobicContact CB-CG2 4.45Å; P119-T168 HydrophobicContact CG-CG2 4.21Å; S166-T168 PolarHBondContact O-N 3.24Å; T168-S171 PolarHBondContact O-N 3.07Å; T168-L172 PolarHBondContact O-N 3.21Å
169L92.8Very high93.9Very high6 Ų654.1 Ų54.13%0.03132%0.315CS..Hα-helixtrans-65.8-45.4178.7178.957.7000110.8L111 L117 Y161 A165 S166 S171 L172 L173L111-L169 HydrophobicContact CD1-CD1 4.23Å; L117-L169 HydrophobicContact CB-CB 4.16Å; L117-L169 HydrophobicContact CD2-CB 3.99Å; L117-L169 HydrophobicContact CD2-CD1 4.06Å; Y161-L169 HydrophobicContact CE1-CD2 3.83Å; A165-L169 HydrophobicContact CB-CB 4.5Å; A165-L169 HydrophobicContact CB-CD2 4.01Å; A165-L169 HydrophobicContact CB-CG 4.48Å; S166-L169 PolarHBondContact O-N 2.63Å; S166-L169 PolarHBondContact OG-N 3.4Å; L169-S171 VanDerWaalsContact C-N 3.31Å; L169-S171 PolarHBondContact O-N 3.39Å; L169-L172 WeakPolarHBondContact O-CB 3.44Å; L169-L172 PolarHBondContact O-N 2.85Å; L169-L173 HydrophobicContact CD1-CD1 4.28Å; L169-L173 HydrophobicContact CD1-CD2 4.37Å; L169-L173 HydrophobicContact CD1-CG 4.02Å; L169-L173 HydrophobicContact CG-CD1 4.14Å; L169-L173 HydrophobicContact CG-CG 4.3Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.24Å
170L94.6Very high94.1Very high73 Ų7351.4 Ų51.438%0.38230%0.297SS..Hα-helixtrans-60.8-39.9178.7-66.7176.9000112.5A165 S166 S167 L173 S174A165-L170 HydrophobicContact CB-CD2 4.07Å; A165-L170 HydrophobicContact CB-CG 4.1Å; S166-L170 WeakPolarHBondContact O-CG 3.26Å; S166-L170 PolarHBondContact O-N 3.44Å; S167-L170 PolarHBondContact O-N 3.26Å; L170-L173 PolarHBondContact O-N 2.94Å; L170-S174 WeakPolarHBondContact O-CB 3.39Å; L170-S174 PolarHBondContact O-N 3.35Å
171S93.5Very high94.3Very high80 Ų8049.6 Ų49.656%0.55928%0.282SS*.Hα-helixtrans-63.8-45175-176.90000111.8S167 T168 L169 S174 S175S167-S171 WeakPolarHBondContact O-CB 3.39Å; S167-S171 PolarHBondContact O-N 3.42Å; T168-S171 PolarHBondContact O-N 3.07Å; L169-S171 VanDerWaalsContact C-N 3.31Å; L169-S171 PolarHBondContact O-N 3.39Å; S171-S174 PolarHBondContact O-N 2.69Å; S171-S175 WeakPolarHBondContact O-CB 3.46Å; S171-S175 PolarHBondContact O-N 2.95Å
172L93.8Very high94.3Very high9 Ų949.2 Ų49.25%0.04728%0.28CS..Hα-helixtrans-59-50174.417462.9000111.1L109 L111 L117 I126 W137 V143 T168 L169 S174 S175 V176L109-L172 HydrophobicContact CD2-CD1 4.25Å; L109-L172 HydrophobicContact CD2-CD2 3.86Å; L111-L172 HydrophobicContact CD1-CD2 3.82Å; L117-L172 HydrophobicContact CD2-CB 4.49Å; L117-L172 HydrophobicContact CD2-CD2 3.94Å; I126-L172 HydrophobicContact CD1-CD1 4.03Å; I126-L172 HydrophobicContact CD1-CD2 4.25Å; I126-L172 HydrophobicContact CG1-CD1 4.4Å; W137-L172 HydrophobicContact CH2-CD1 4.23Å; V143-L172 HydrophobicContact CG2-CD2 4.1Å; V143-L172 HydrophobicContact CG2-CG 4.18Å; T168-L172 PolarHBondContact O-N 3.21Å; L169-L172 WeakPolarHBondContact O-CB 3.44Å; L169-L172 PolarHBondContact O-N 2.85Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 2.93Å; L172-S175 WeakPolarHBondContact O-CB 3.28Å; L172-S175 PolarHBondContact O-N 2.82Å; L172-S175 VanDerWaalsContact O-N 3.11Å; L172-S175 PolarHBondContact O-OG 3.48Å; L172-V176 PolarHBondContact O-N 2.65Å
173L96Very high94.3Very high3 Ų348.2 Ų48.22%0.01628%0.275CS..Hα-helixtrans-60.4-42.4179.6-68.7-176.1000112.1V143 L162 L169 L170 S175 V176 Q177 H178 Y180V143-L173 HydrophobicContact CB-CD2 3.83Å; V143-L173 HydrophobicContact CG1-CD2 4.05Å; V143-L173 HydrophobicContact CG2-CD2 3.94Å; L162-L173 HydrophobicContact CD2-CD1 3.47Å; L162-L173 VanDerWaalsContact CD2-CD1 3.47Å; L169-L173 HydrophobicContact CD1-CD1 4.28Å; L169-L173 HydrophobicContact CD1-CD2 4.37Å; L169-L173 HydrophobicContact CD1-CG 4.02Å; L169-L173 HydrophobicContact CG-CD1 4.14Å; L169-L173 HydrophobicContact CG-CG 4.3Å; L169-L173 VanDerWaalsContact O-CG 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.24Å; L170-L173 PolarHBondContact O-N 2.94Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 3.49Å; L173-V176 WeakPolarHBondContact O-CG2 3.26Å; L173-V176 PolarHBondContact O-N 3.25Å; L173-Q177 PolarHBondContact O-N 2.84Å; L173-H178 WeakPolarHBondContact O-CA 3.21Å; L173-H178 PolarHBondContact O-N 3.47Å; L173-Y180 HydrophobicContact CD1-CD1 4.23Å; L173-Y180 HydrophobicContact CD2-CD1 3.99Å; L173-Y180 HydrophobicContact CD2-CG 4.07Å
174S96.8Very high94.1Very high71 Ų7141 Ų4150%0.49724%0.242SC..Hα-helixtrans-61.3-42.2174.3-175.70000111.4L170 S171 L172 V176 Q177L170-S174 WeakPolarHBondContact O-CB 3.39Å; L170-S174 PolarHBondContact O-N 3.35Å; S171-S174 PolarHBondContact O-N 2.69Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 2.93Å; S174-V176 VanDerWaalsContact C-N 3.26Å; S174-V176 PolarHBondContact O-N 3.26Å; S174-Q177 PolarHBondContact O-N 3Å
175S95.1Very high93.5Very high28 Ų2838.8 Ų38.820%0.19623%0.225CC..Hα-helixtrans-62.8-30.8-179.483.50000113.5K138 S171 L172 L173 Q177K138-S175 WeakPolarHBondContact CB-O 3.31Å; K138-S175 VanDerWaalsContact CD-O 3.3Å; K138-S175 WeakPolarHBondContact CD-O 3.43Å; K138-S175 WeakPolarHBondContact CG-O 3.28Å; S171-S175 WeakPolarHBondContact O-CB 3.46Å; S171-S175 PolarHBondContact O-N 2.95Å; L172-S175 WeakPolarHBondContact O-CB 3.28Å; L172-S175 PolarHBondContact O-N 2.82Å; L172-S175 VanDerWaalsContact O-N 3.11Å; L172-S175 PolarHBondContact O-OG 3.48Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 3.49Å; S175-Q177 VanDerWaalsContact C-N 3.32Å
176V96.4Very high92.5Very high0 Ų045.2 Ų45.20%025%0.252CS..THydrogen-bonded Turntrans-97.126.3175.6-59.70000112.4W137 T141 V143 L172 L173 S174 H178 K179W137-V176 HydrophobicContact CH2-CG1 4.24Å; W137-V176 HydrophobicContact CZ3-CG1 3.82Å; T141-V176 HydrophobicContact CG2-CG1 4.21Å; V143-V176 HydrophobicContact CG2-CG2 4.19Å; L172-V176 PolarHBondContact O-N 2.65Å; L173-V176 WeakPolarHBondContact O-CG2 3.26Å; L173-V176 PolarHBondContact O-N 3.25Å; S174-V176 VanDerWaalsContact C-N 3.26Å; S174-V176 PolarHBondContact O-N 3.26Å; V176-H178 PolarHBondContact O-N 3.1Å; V176-K179 WeakPolarHBondContact O-CB 3.37Å; V176-K179 WeakPolarHBondContact O-CE 3.47Å; V176-K179 VanDerWaalsContact O-CG 3.23Å; V176-K179 WeakPolarHBondContact O-CG 3.48Å; V176-K179 PolarHBondContact O-N 3.26Å
177Q96.5Very high91.5Very high94 Ų9446.7 Ų46.744%0.43925%0.252SS..THydrogen-bonded Turntrans5339.9177.4-51.1101.8-1.600113.7K138 D139 L173 S174 S175 K179K138-Q177 PolarHBondContact O-OE1 2.86Å; D139-Q177 PolarHBondContact OD1-NE2 2.96Å; L173-Q177 PolarHBondContact O-N 2.84Å; S174-Q177 PolarHBondContact O-N 3Å; S175-Q177 VanDerWaalsContact C-N 3.32Å; Q177-K179 PolarHBondContact O-N 2.84Å
178H96.9Very high90.1Very high115 Ų11542 Ų4253%0.53222%0.219SC..THydrogen-bonded Turntrans56.628.9-178.9-58.7-83.5000114L173 V176 Y180L173-H178 WeakPolarHBondContact O-CA 3.21Å; L173-H178 PolarHBondContact O-N 3.47Å; V176-H178 PolarHBondContact O-N 3.1Å; H178-Y180 HydrophobicContact CB-CD1 4.4Å; H178-Y180 HydrophobicContact CB-CE1 4.14Å; H178-Y180 VanDerWaalsContact O-CD1 3.26Å; H178-Y180 WeakPolarHBondContact O-CD1 3.4Å; H178-Y180 PolarHBondContact O-N 3.36Å; H178-Y180 VanDerWaalsContact O-N 3.08Å
179K97.9Very high88.9Confident12 Ų1242.7 Ų42.75%0.05222%0.221CC..  trans-78.588.9171.5-62.2178.3-51-139.50109.1K138 D139 T141 A142 V143 V176 Q177 F204K138-K179 PolarHBondContact O-NZ 3.32Å; D139-K179 VanDerWaalsContact C-NZ 3.3Å; D139-K179 PolarHBondContact O-NZ 3.02Å; T141-K179 WeakPolarHBondContact O-CE 3.32Å; A142-K179 CarbonylContact C-O 3.34Å; A142-K179 VanDerWaalsContact CA-O 3.26Å; A142-K179 WeakPolarHBondContact CA-O 3.35Å; A142-K179 HydrophobicContact CB-CB 3.79Å; A142-K179 WeakPolarHBondContact CB-O 3.2Å; V143-K179 PolarHBondContact N-O 2.98Å; V176-K179 WeakPolarHBondContact O-CB 3.37Å; V176-K179 WeakPolarHBondContact O-CE 3.47Å; V176-K179 VanDerWaalsContact O-CG 3.23Å; V176-K179 WeakPolarHBondContact O-CG 3.48Å; V176-K179 PolarHBondContact O-N 3.26Å; Q177-K179 PolarHBondContact O-N 2.84Å; K179-F204 HydrophobicContact CB-CD1 4.11Å; K179-F204 HydrophobicContact CB-CD2 4.04Å; K179-F204 HydrophobicContact CB-CE1 4.15Å; K179-F204 HydrophobicContact CB-CE2 4.07Å; K179-F204 HydrophobicContact CB-CG 4.07Å; K179-F204 HydrophobicContact CB-CZ 4.13Å; K179-F204 HydrophobicContact CD-CB 4.01Å; K179-F204 HydrophobicContact CD-CD1 4.32Å; K179-F204 HydrophobicContact CD-CG 4.14Å; K179-F204 HydrophobicContact CG-CB 4.33Å; K179-F204 HydrophobicContact CG-CD1 3.73Å; K179-F204 HydrophobicContact CG-CD2 4.39Å; K179-F204 HydrophobicContact CG-CE1 4.1Å; K179-F204 HydrophobicContact CG-CG 3.9Å
180Y97.6Very high88.1Confident51 Ų5146.3 Ų46.320%0.224%0.239CC..EExtended strand (participates in β ladder)trans-136.8157.617464.8-89.5000113.4V143 L162 L173 H178 F182V143-Y180 CarbonylContact O-C 3.53Å; V143-Y180 WeakPolarHBondContact O-CA 3.04Å; L162-Y180 HydrophobicContact CD1-CE1 4.3Å; L162-Y180 HydrophobicContact CD1-CE2 3.75Å; L162-Y180 VanDerWaalsContact CD1-CZ 3.47Å; L162-Y180 WeakPolarHBondContact CD1-OH 3.45Å; L173-Y180 HydrophobicContact CD1-CD1 4.23Å; L173-Y180 HydrophobicContact CD2-CD1 3.99Å; L173-Y180 HydrophobicContact CD2-CG 4.07Å; H178-Y180 HydrophobicContact CB-CD1 4.4Å; H178-Y180 HydrophobicContact CB-CE1 4.14Å; H178-Y180 VanDerWaalsContact O-CD1 3.26Å; H178-Y180 WeakPolarHBondContact O-CD1 3.4Å; H178-Y180 PolarHBondContact O-N 3.36Å; H178-Y180 VanDerWaalsContact O-N 3.08Å; Y180-F182 HydrophobicContact CD2-CD2 4.17Å; Y180-F182 AromaticContact CD2-CE2 3.91Å; Y180-F182 HydrophobicContact CD2-CE2 3.91Å; Y180-F182 HydrophobicContact CE2-CD2 4.29Å; Y180-F182 AromaticContact CE2-CE2 3.86Å; Y180-F182 HydrophobicContact CE2-CE2 3.86Å
181I96.8Very high87.4Confident3 Ų350.9 Ų50.92%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-141.6131.8176.8-59.7178000108.2V143 L144 L145 I197 K200 L201 F204V143-I181 PolarHBondContact O-N 3.42Å; L144-I181 WeakPolarHBondContact CA-O 3.46Å; L144-I181 HydrophobicContact CD1-CB 3.8Å; L144-I181 HydrophobicContact CD1-CG2 3.95Å; L145-I181 PolarHBondContact N-O 2.84Å; I181-I197 HydrophobicContact CD1-CG2 4.19Å; I181-I197 HydrophobicContact CG2-CG1 4.24Å; I181-I197 HydrophobicContact CG2-CG2 4.43Å; I181-K200 HydrophobicContact CD1-CB 3.73Å; I181-K200 HydrophobicContact CD1-CD 4.4Å; I181-K200 HydrophobicContact CG1-CB 4.15Å; I181-K200 HydrophobicContact CG1-CD 4.06Å; I181-L201 HydrophobicContact CD1-CD2 3.55Å; I181-L201 HydrophobicContact CD1-CG 3.75Å; I181-F204 HydrophobicContact CD1-CE2 3.95Å; I181-F204 HydrophobicContact CG1-CE2 3.89Å; I181-F204 HydrophobicContact CG1-CZ 4.26Å
182F94.9Very high87Confident18 Ų1853.5 Ų53.58%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-82.9134.8164.5-72.8-98.2000109.6A113 L145 A148 E158 Y161 Y180A113-F182 HydrophobicContact CB-CD1 4.4Å; A113-F182 HydrophobicContact CB-CE1 4.32Å; L145-F182 HydrophobicContact CB-CD1 3.89Å; L145-F182 HydrophobicContact CB-CE1 4.12Å; L145-F182 HydrophobicContact CB-CG 4.28Å; L145-F182 HydrophobicContact CD1-CD1 4.15Å; L145-F182 HydrophobicContact CD1-CD2 4.32Å; L145-F182 HydrophobicContact CD1-CE1 3.63Å; L145-F182 HydrophobicContact CD1-CE2 3.82Å; L145-F182 HydrophobicContact CD1-CG 4.48Å; L145-F182 HydrophobicContact CD1-CZ 3.45Å; L145-F182 VanDerWaalsContact CD1-CZ 3.45Å; L145-F182 HydrophobicContact CG-CE1 4.47Å; L145-F182 CarbonylContact O-C 3.5Å; L145-F182 WeakPolarHBondContact O-CA 3.3Å; A148-F182 HydrophobicContact CB-CB 3.84Å; A148-F182 HydrophobicContact CB-CD1 4.13Å; E158-F182 HydrophobicContact CB-CD2 3.96Å; E158-F182 HydrophobicContact CB-CE2 3.84Å; E158-F182 HydrophobicContact CB-CZ 4.43Å; E158-F182 HydrophobicContact CG-CB 4.22Å; E158-F182 HydrophobicContact CG-CD2 3.48Å; E158-F182 VanDerWaalsContact CG-CD2 3.48Å; E158-F182 HydrophobicContact CG-CE2 3.9Å; E158-F182 HydrophobicContact CG-CG 3.85Å; E158-F182 WeakPolarHBondContact OE2-CD2 3.4Å; Y161-F182 AromaticContact CD1-CE1 3.68Å; Y161-F182 HydrophobicContact CD1-CE1 3.68Å; Y161-F182 AromaticContact CD1-CZ 3.41Å; Y161-F182 HydrophobicContact CD1-CZ 3.41Å; Y161-F182 VanDerWaalsContact CD1-CZ 3.41Å; Y161-F182 HydrophobicContact CD2-CE1 4.46Å; Y161-F182 AromaticContact CE1-CE1 3.95Å; Y161-F182 HydrophobicContact CE1-CE1 3.95Å; Y161-F182 AromaticContact CE1-CZ 3.89Å; Y161-F182 HydrophobicContact CE1-CZ 3.89Å; Y161-F182 AromaticContact CG-CE1 3.93Å; Y161-F182 HydrophobicContact CG-CE1 3.93Å; Y161-F182 AromaticContact CG-CZ 3.96Å; Y161-F182 HydrophobicContact CG-CZ 3.96Å; Y180-F182 HydrophobicContact CD2-CD2 4.17Å; Y180-F182 AromaticContact CD2-CE2 3.91Å; Y180-F182 HydrophobicContact CD2-CE2 3.91Å; Y180-F182 HydrophobicContact CE2-CD2 4.29Å; Y180-F182 AromaticContact CE2-CE2 3.86Å; Y180-F182 HydrophobicContact CE2-CE2 3.86Å
183L93.1Very high86.5Confident1 Ų156.4 Ų56.41%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-130.3114.2-175.1-175.765.5000110.7A24 L144 L145 T146 H147 A148 N185 S188 I197A24-L183 HydrophobicContact CB-CD2 3.67Å; L144-L183 HydrophobicContact CD1-CB 3.88Å; L144-L183 HydrophobicContact CD1-CD2 4.13Å; L144-L183 HydrophobicContact CD2-CD2 3.82Å; L144-L183 HydrophobicContact CG-CB 4.25Å; L144-L183 HydrophobicContact CG-CD2 4.11Å; L145-L183 PolarHBondContact O-N 3.04Å; T146-L183 CarbonylContact C-O 3.53Å; T146-L183 WeakPolarHBondContact CA-O 3.15Å; T146-L183 HydrophobicContact CG2-CD2 4.47Å; H147-L183 PolarHBondContact N-O 3.17Å; A148-L183 PolarHBondContact N-O 2.97Å; L183-N185 WeakPolarHBondContact CD2-OD1 2.95Å; L183-S188 VanDerWaalsContact CD1-CB 3.43Å; L183-I197 HydrophobicContact CD1-CD1 3.36Å; L183-I197 HydrophobicContact CD1-CG1 4.39Å
184D88.2Confident86.2Confident14 Ų1457.6 Ų57.68%0.07528%0.277CS..  trans-86.5107.6161.3179.1-11.7000108.3D149 Q186 K187 S188D149-D184 HydrophobicContact CB-CB 4.43Å; D184-Q186 PolarHBondContact O-N 3.1Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.33Å; D184-Q186 PolarHBondContact OD1-N 3.45Å; D184-K187 HydrophobicContact CB-CB 4.41Å; D184-K187 PolarHBondContact O-N 3.32Å; D184-K187 PolarHBondContact OD1-N 3.37Å; D184-K187 WeakPolarHBondContact OD2-CD 3.21Å; D184-K187 WeakPolarHBondContact OD2-CE 3.41Å; D184-K187 WeakPolarHBondContact OD2-CG 3.14Å; D184-K187 IonicContact OD2-NZ 3.18Å; D184-K187 PolarHBondContact OD2-NZ 3.34Å; D184-S188 WeakPolarHBondContact O-CB 3.21Å; D184-S188 PolarHBondContact O-N 3.34Å; D184-S188 PolarHBondContact O-OG 3.32Å; D184-S188 VanDerWaalsContact O-OG 3.07Å
185N77.6Confident85.9Confident29 Ų2955.9 Ų55.916%0.15527%0.267CS..THydrogen-bonded Turntrans-68.1-13.9-177.8-69.4-48.8000113.6A23 L183 S188A23-N185 HydrophobicContact CB-CB 4.31Å; L183-N185 WeakPolarHBondContact CD2-OD1 2.95Å; N185-S188 WeakPolarHBondContact CA-OG 3.33Å; N185-S188 PolarHBondContact O-OG 3.32Å
186Q71.6Confident85.7Confident152 Ų15258.4 Ų58.471%0.7128%0.282SS*.THydrogen-bonded Turntrans-85.7-39.2178.5-59.8-162.655.600111.7D184D184-Q186 PolarHBondContact O-N 3.1Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.33Å; D184-Q186 PolarHBondContact OD1-N 3.45Å
187K68.3Low85.6Confident79 Ų7959.1 Ų59.134%0.34329%0.285SS..THydrogen-bonded Turntrans-89.2-24.8179.4-61175.8-164.9153.80113.2E152 D184 I189 I190 E193E152-K187 IonicContact OE2-NZ 3.56Å; E152-K187 PolarHBondContact OE2-NZ 3.39Å; D184-K187 HydrophobicContact CB-CB 4.41Å; D184-K187 PolarHBondContact O-N 3.32Å; D184-K187 PolarHBondContact OD1-N 3.37Å; D184-K187 WeakPolarHBondContact OD2-CD 3.21Å; D184-K187 WeakPolarHBondContact OD2-CE 3.41Å; D184-K187 WeakPolarHBondContact OD2-CG 3.14Å; D184-K187 IonicContact OD2-NZ 3.18Å; D184-K187 PolarHBondContact OD2-NZ 3.34Å; K187-I189 PolarHBondContact O-N 2.74Å; K187-I190 HydrophobicContact CB-CD1 4.12Å; K187-I190 WeakPolarHBondContact O-CB 3.43Å; K187-I190 WeakPolarHBondContact O-CD1 3.46Å; K187-I190 WeakPolarHBondContact O-CG1 3.23Å; K187-I190 PolarHBondContact O-N 2.9Å; K187-E193 VanDerWaalsContact CB-CD 3.44Å; K187-E193 WeakPolarHBondContact CB-OE1 3.09Å; K187-E193 WeakPolarHBondContact CB-OE2 3.2Å
188S61.8Low85.5Confident0 Ų054.7 Ų54.70%026%0.264CS..THydrogen-bonded Turntrans-62.6-12.2-173.959.20000116.7S27 L183 D184 N185 I190 E193 R194S27-S188 WeakPolarHBondContact CB-OG 3.07Å; S27-S188 PolarHBondContact OG-OG 2.84Å; L183-S188 VanDerWaalsContact CD1-CB 3.43Å; D184-S188 WeakPolarHBondContact O-CB 3.21Å; D184-S188 PolarHBondContact O-N 3.34Å; D184-S188 PolarHBondContact O-OG 3.32Å; D184-S188 VanDerWaalsContact O-OG 3.07Å; N185-S188 WeakPolarHBondContact CA-OG 3.33Å; N185-S188 PolarHBondContact O-OG 3.32Å; S188-I190 VanDerWaalsContact C-N 3.26Å; S188-E193 PolarHBondContact N-OE2 3.42Å; S188-R194 WeakPolarHBondContact O-CB 3.1Å
189I66.6Low85.3Confident59 Ų5951.4 Ų51.430%0.30325%0.254SS..THydrogen-bonded Turntrans-80-15.6173.8-58.3176.6000110.7Y32 K187Y32-I189 HydrophobicContact CE1-CD1 3.67Å; Y32-I189 HydrophobicContact CE2-CD1 4.45Å; Y32-I189 WeakPolarHBondContact OH-CD1 3.38Å; K187-I189 PolarHBondContact O-N 2.74Å
190I75.9Confident85.2Confident81 Ų8154.2 Ų54.242%0.41527%0.267SS..SBendtrans-64.9131.9171.2-60168.5000109K187 S188 E192 E193 R194K187-I190 HydrophobicContact CB-CD1 4.12Å; K187-I190 WeakPolarHBondContact O-CB 3.43Å; K187-I190 WeakPolarHBondContact O-CD1 3.46Å; K187-I190 WeakPolarHBondContact O-CG1 3.23Å; K187-I190 PolarHBondContact O-N 2.9Å; S188-I190 VanDerWaalsContact C-N 3.26Å; I190-E192 VanDerWaalsContact C-N 3.29Å; I190-E192 WeakPolarHBondContact CG2-OE2 3.41Å; I190-E192 PolarHBondContact O-N 2.97Å; I190-E193 PolarHBondContact O-N 3.09Å; I190-R194 WeakPolarHBondContact O-CB 3.14Å; I190-R194 PolarHBondContact O-N 3.32Å
191K80.8Confident85.2Confident170 Ų17051.8 Ų51.874%0.73926%0.257SS*.Hα-helixtrans-57.4-40.4-170-74.4-176.8178.71760112.8A195K191-A195 WeakPolarHBondContact O-CB 3.47Å; K191-A195 PolarHBondContact O-N 2.67Å
192E83.8Confident85.2Confident135 Ų13552.3 Ų52.363%0.63126%0.26SS*.Hα-helixtrans-67.4-45.4-177.4-66.473.9-161.200112.1I190 A195 T196I190-E192 VanDerWaalsContact C-N 3.29Å; I190-E192 WeakPolarHBondContact CG2-OE2 3.41Å; I190-E192 PolarHBondContact O-N 2.97Å; E192-A195 PolarHBondContact O-N 3.29Å; E192-T196 PolarHBondContact O-N 2.69Å; E192-T196 PolarHBondContact O-OG1 3.48Å
193E84.7Confident85.2Confident69 Ų6955.7 Ų55.732%0.32228%0.279SS..Hα-helixtrans-66.8-44.4177.6-68.3-168.8-178.500111.2K187 S188 I190 A195 T196 I197K187-E193 VanDerWaalsContact CB-CD 3.44Å; K187-E193 WeakPolarHBondContact CB-OE1 3.09Å; K187-E193 WeakPolarHBondContact CB-OE2 3.2Å; S188-E193 PolarHBondContact N-OE2 3.42Å; I190-E193 PolarHBondContact O-N 3.09Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 PolarHBondContact O-N 2.67Å; E193-T196 WeakPolarHBondContact O-CA 3.16Å; E193-T196 WeakPolarHBondContact O-CB 3.36Å; E193-T196 PolarHBondContact O-N 3.44Å; E193-T196 VanDerWaalsContact O-N 3.08Å; E193-I197 WeakPolarHBondContact O-CG1 3.44Å; E193-I197 PolarHBondContact O-N 2.88Å
194R89.1Confident85.4Confident29 Ų2956.7 Ų56.711%0.10928%0.283CS..Hα-helixtrans-56.6-45.9174-174.1-179.9167.3-150.30.4111.6S27 L28 L29 S188 I190 T196 I197 L198S27-R194 WeakPolarHBondContact O-CD 3.46Å; L28-R194 PolarHBondContact O-NE 3.13Å; L28-R194 PolarHBondContact O-NH2 2.81Å; L29-R194 VanDerWaalsContact C-CZ 3.45Å; L29-R194 PolarHBondContact O-NH1 3.36Å; L29-R194 PolarHBondContact O-NH2 3.4Å; S188-R194 WeakPolarHBondContact O-CB 3.1Å; I190-R194 WeakPolarHBondContact O-CB 3.14Å; I190-R194 PolarHBondContact O-N 3.32Å; R194-T196 VanDerWaalsContact C-N 3.26Å; R194-T196 PolarHBondContact O-N 3.08Å; R194-I197 PolarHBondContact O-N 2.73Å; R194-L198 HydrophobicContact CG-CD1 4.07Å; R194-L198 HydrophobicContact CG-CG 4.37Å; R194-L198 WeakPolarHBondContact O-CB 3.47Å; R194-L198 VanDerWaalsContact O-CG 3.29Å; R194-L198 WeakPolarHBondContact O-CG 3.46Å; R194-L198 PolarHBondContact O-N 3.38Å
195A90.2Very high85.8Confident35 Ų3556.2 Ų56.229%0.28928%0.281SS..Hα-helixtrans-60.7-37.4177.600000111.9K191 E192 E193 S199K191-A195 WeakPolarHBondContact O-CB 3.47Å; K191-A195 PolarHBondContact O-N 2.67Å; E192-A195 PolarHBondContact O-N 3.29Å; E193-A195 VanDerWaalsContact C-N 3.31Å; E193-A195 PolarHBondContact O-N 2.67Å; A195-S199 WeakPolarHBondContact O-CB 3.45Å; A195-S199 PolarHBondContact O-N 3.16Å; A195-S199 PolarHBondContact O-OG 3.45Å
196T90.9Very high86.5Confident81 Ų8162.4 Ų62.450%0.49730%0.302SS..Hα-helixtrans-64.8-46.5175.7-58.70000111.6E192 E193 R194 S199 K200E192-T196 PolarHBondContact O-N 2.69Å; E192-T196 PolarHBondContact O-OG1 3.48Å; E193-T196 WeakPolarHBondContact O-CA 3.16Å; E193-T196 WeakPolarHBondContact O-CB 3.36Å; E193-T196 PolarHBondContact O-N 3.44Å; E193-T196 VanDerWaalsContact O-N 3.08Å; R194-T196 VanDerWaalsContact C-N 3.26Å; R194-T196 PolarHBondContact O-N 3.08Å; T196-S199 PolarHBondContact O-N 2.95Å; T196-K200 PolarHBondContact O-N 2.85Å
197I93.6Very high87.6Confident14 Ų1463 Ų637%0.07230%0.302CS..Hα-helixtrans-60.5-49.3176.6-66.6156.4000110.5L28 I181 L183 E193 R194 S199 K200 L201L28-I197 HydrophobicContact CD2-CG2 3.66Å; I181-I197 HydrophobicContact CD1-CG2 4.19Å; I181-I197 HydrophobicContact CG2-CG1 4.24Å; I181-I197 HydrophobicContact CG2-CG2 4.43Å; L183-I197 HydrophobicContact CD1-CD1 3.36Å; L183-I197 HydrophobicContact CD1-CG1 4.39Å; E193-I197 WeakPolarHBondContact O-CG1 3.44Å; E193-I197 PolarHBondContact O-N 2.88Å; R194-I197 PolarHBondContact O-N 2.73Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 3.17Å; I197-K200 WeakPolarHBondContact O-CB 3.49Å; I197-K200 PolarHBondContact O-N 3.33Å; I197-K200 VanDerWaalsContact O-N 3.16Å; I197-L201 HydrophobicContact CG2-CD1 4.22Å; I197-L201 WeakPolarHBondContact O-CG 3.35Å; I197-L201 PolarHBondContact O-N 3.01Å
198L94.7Very high88.8Confident1 Ų160.4 Ų60.41%0.00529%0.292CS..Hα-helixtrans-62-37.3179.2-67.3177.4000111.9L28 I55 L68 V70 R194 L201 L202L28-L198 HydrophobicContact CD2-CD2 4.32Å; I55-L198 HydrophobicContact CD1-CD1 3.48Å; I55-L198 VanDerWaalsContact CD1-CD1 3.48Å; L68-L198 HydrophobicContact CD2-CB 4.45Å; L68-L198 HydrophobicContact CD2-CD1 4.28Å; V70-L198 HydrophobicContact CG2-CD1 4.31Å; V70-L198 HydrophobicContact CG2-CD2 3.77Å; R194-L198 HydrophobicContact CG-CD1 4.07Å; R194-L198 HydrophobicContact CG-CG 4.37Å; R194-L198 WeakPolarHBondContact O-CB 3.47Å; R194-L198 VanDerWaalsContact O-CG 3.29Å; R194-L198 WeakPolarHBondContact O-CG 3.46Å; R194-L198 PolarHBondContact O-N 3.38Å; L198-L201 HydrophobicContact CD2-CD1 4.4Å; L198-L201 PolarHBondContact O-N 2.75Å; L198-L202 WeakPolarHBondContact O-CB 3.34Å; L198-L202 VanDerWaalsContact O-CG 3.27Å; L198-L202 WeakPolarHBondContact O-CG 3.35Å; L198-L202 PolarHBondContact O-N 3.27Å
199S93.9Very high90.3Very high46 Ų4666.4 Ų66.432%0.32232%0.324SS..Hα-helixtrans-63.8-42.7174.7-60.80000112A195 T196 I197 L202 N203A195-S199 WeakPolarHBondContact O-CB 3.45Å; A195-S199 PolarHBondContact O-N 3.16Å; A195-S199 PolarHBondContact O-OG 3.45Å; T196-S199 PolarHBondContact O-N 2.95Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 3.17Å; S199-L202 PolarHBondContact O-N 3.19Å; S199-N203 PolarHBondContact O-N 3.35Å; S199-N203 PolarHBondContact O-ND2 3.22Å
200K95.8Very high91.5Very high71 Ų7168.6 Ų68.631%0.30933%0.329SS..Hα-helixtrans-60.4-46.1173.5-72.3-176.1179.7-178.20111.2I181 T196 I197 L202 N203 F204I181-K200 HydrophobicContact CD1-CB 3.73Å; I181-K200 HydrophobicContact CD1-CD 4.4Å; I181-K200 HydrophobicContact CG1-CB 4.15Å; I181-K200 HydrophobicContact CG1-CD 4.06Å; T196-K200 PolarHBondContact O-N 2.85Å; I197-K200 WeakPolarHBondContact O-CB 3.49Å; I197-K200 PolarHBondContact O-N 3.33Å; I197-K200 VanDerWaalsContact O-N 3.16Å; K200-L202 PolarHBondContact O-N 2.67Å; K200-N203 WeakPolarHBondContact O-CB 3.41Å; K200-N203 PolarHBondContact O-N 2.84Å; K200-F204 WeakPolarHBondContact O-CG 3.47Å; K200-F204 PolarHBondContact O-N 2.8Å
201L96.9Very high92.3Very high1 Ų169.8 Ų69.81%0.00533%0.333CS..Hα-helixtrans-62.2-43.9178.1-67.4178.1000112.7L11 L28 L106 L108 I181 I197 L198 N203 F204 I205L11-L201 HydrophobicContact CD1-CD1 3.98Å; L28-L201 HydrophobicContact CD2-CD1 3.56Å; L106-L201 HydrophobicContact CD2-CD2 3.75Å; L108-L201 HydrophobicContact CD2-CD2 3.73Å; I181-L201 HydrophobicContact CD1-CD2 3.55Å; I181-L201 HydrophobicContact CD1-CG 3.75Å; I197-L201 HydrophobicContact CG2-CD1 4.22Å; I197-L201 WeakPolarHBondContact O-CG 3.35Å; I197-L201 PolarHBondContact O-N 3.01Å; L198-L201 HydrophobicContact CD2-CD1 4.4Å; L198-L201 PolarHBondContact O-N 2.75Å; L201-N203 VanDerWaalsContact C-N 3.28Å; L201-N203 PolarHBondContact O-N 3.24Å; L201-F204 HydrophobicContact CD2-CD2 4.18Å; L201-F204 HydrophobicContact CD2-CE2 4.47Å; L201-F204 WeakPolarHBondContact O-CB 3.33Å; L201-F204 PolarHBondContact O-N 2.69Å; L201-F204 VanDerWaalsContact O-N 3.15Å; L201-I205 WeakPolarHBondContact O-CG1 3.38Å; L201-I205 PolarHBondContact O-N 2.76Å
202L95.8Very high92.9Very high14 Ų1464.9 Ų64.97%0.07331%0.314CS..Hα-helixtrans-62.6-37175.6-74167.5000112.1M7 I9 V58 I59 L68 L198 S199 K200 F204 I205 R206M7-L202 HydrophobicContact CE-CD2 4.39Å; M7-L202 HydrophobicContact SD-CD2 4.39Å; I9-L202 HydrophobicContact CD1-CD2 4.46Å; I9-L202 HydrophobicContact CG2-CD2 4.02Å; V58-L202 HydrophobicContact CG1-CD1 3.55Å; I59-L202 HydrophobicContact CD1-CD1 3.72Å; I59-L202 HydrophobicContact CD1-CD2 3.8Å; I59-L202 HydrophobicContact CD1-CG 4.43Å; I59-L202 HydrophobicContact CG1-CD1 3.61Å; L68-L202 HydrophobicContact CD1-CD2 4.3Å; L68-L202 HydrophobicContact CD2-CD1 4.1Å; L198-L202 WeakPolarHBondContact O-CB 3.34Å; L198-L202 VanDerWaalsContact O-CG 3.27Å; L198-L202 WeakPolarHBondContact O-CG 3.35Å; L198-L202 PolarHBondContact O-N 3.27Å; S199-L202 PolarHBondContact O-N 3.19Å; K200-L202 PolarHBondContact O-N 2.67Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-I205 PolarHBondContact O-N 3.1Å; L202-R206 VanDerWaalsContact O-CB 3.23Å; L202-R206 WeakPolarHBondContact O-CB 3.5Å; L202-R206 PolarHBondContact O-N 2.68Å
203N95.8Very high93.4Very high89 Ų8959.4 Ų59.448%0.47629%0.289SS..Hα-helixtrans-63.6-38.7173.9-76.7-29.2000111.9S199 K200 L201 R206 K207S199-N203 PolarHBondContact O-N 3.35Å; S199-N203 PolarHBondContact O-ND2 3.22Å; K200-N203 WeakPolarHBondContact O-CB 3.41Å; K200-N203 PolarHBondContact O-N 2.84Å; L201-N203 VanDerWaalsContact C-N 3.28Å; L201-N203 PolarHBondContact O-N 3.24Å; N203-R206 PolarHBondContact O-N 3.44Å; N203-K207 WeakPolarHBondContact O-CB 3.47Å; N203-K207 WeakPolarHBondContact O-CG 3.31Å; N203-K207 PolarHBondContact O-N 3.46Å
204F97.5Very high93.6Very high22 Ų2261.7 Ų61.710%0.09630%0.303CS..Hα-helixtrans-63.2-47.1173.8-60.5-23.3000111.8L106 A142 K179 I181 K200 L201 L202 R206 K207 N208L106-F204 HydrophobicContact CD2-CB 4.4Å; L106-F204 HydrophobicContact CD2-CD2 4.3Å; A142-F204 HydrophobicContact CB-CD2 4Å; A142-F204 HydrophobicContact CB-CE2 4.19Å; K179-F204 HydrophobicContact CB-CD1 4.11Å; K179-F204 HydrophobicContact CB-CD2 4.04Å; K179-F204 HydrophobicContact CB-CE1 4.15Å; K179-F204 HydrophobicContact CB-CE2 4.07Å; K179-F204 HydrophobicContact CB-CG 4.07Å; K179-F204 HydrophobicContact CB-CZ 4.13Å; K179-F204 HydrophobicContact CD-CB 4.01Å; K179-F204 HydrophobicContact CD-CD1 4.32Å; K179-F204 HydrophobicContact CD-CG 4.14Å; K179-F204 HydrophobicContact CG-CB 4.33Å; K179-F204 HydrophobicContact CG-CD1 3.73Å; K179-F204 HydrophobicContact CG-CD2 4.39Å; K179-F204 HydrophobicContact CG-CE1 4.1Å; K179-F204 HydrophobicContact CG-CG 3.9Å; I181-F204 HydrophobicContact CD1-CE2 3.95Å; I181-F204 HydrophobicContact CG1-CE2 3.89Å; I181-F204 HydrophobicContact CG1-CZ 4.26Å; K200-F204 WeakPolarHBondContact O-CG 3.47Å; K200-F204 PolarHBondContact O-N 2.8Å; L201-F204 HydrophobicContact CD2-CD2 4.18Å; L201-F204 HydrophobicContact CD2-CE2 4.47Å; L201-F204 WeakPolarHBondContact O-CB 3.33Å; L201-F204 PolarHBondContact O-N 2.69Å; L201-F204 VanDerWaalsContact O-N 3.15Å; L202-F204 VanDerWaalsContact C-N 3.33Å; F204-R206 VanDerWaalsContact C-N 3.32Å; F204-R206 PolarHBondContact O-N 3.38Å; F204-K207 PolarHBondContact O-N 3.28Å; F204-N208 PolarHBondContact O-N 3.09Å; F204-N208 VanDerWaalsContact O-N 3.09Å
205I95.9Very high93.2Very high4 Ų462 Ų622%0.02131%0.307CS..Hα-helixtrans-61.7-42.1177.3-65.8167000110.7I9 H105 L106 L201 L202 N208 N209 Y210I9-I205 HydrophobicContact CB-CD1 4.15Å; I9-I205 HydrophobicContact CD1-CD1 4.33Å; I9-I205 HydrophobicContact CG2-CD1 3.9Å; H105-I205 HydrophobicContact CB-CD1 3.86Å; H105-I205 HydrophobicContact CB-CG1 4.16Å; L106-I205 HydrophobicContact CB-CG1 4.49Å; L201-I205 WeakPolarHBondContact O-CG1 3.38Å; L201-I205 PolarHBondContact O-N 2.76Å; L202-I205 PolarHBondContact O-N 3.1Å; I205-N208 CarbonylContact O-C 3.56Å; I205-N208 WeakPolarHBondContact O-CA 3.46Å; I205-N208 PolarHBondContact O-N 3.38Å; I205-N208 VanDerWaalsContact O-N 3.17Å; I205-N209 PolarHBondContact O-N 3.28Å; I205-Y210 HydrophobicContact CG2-CD1 3.63Å; I205-Y210 HydrophobicContact CG2-CE1 4.19Å; I205-Y210 HydrophobicContact CG2-CG 4.31Å; I205-Y210 PolarHBondContact O-N 3.2Å
206R93.9Very high92.1Very high158 Ų15869.5 Ų69.560%0.59633%0.333SS*.Hα-helixtrans-63.3-42.6176.5178.5-177.5165.9121.60.3112L202 N203 F204 N208 N209 Y210L202-R206 VanDerWaalsContact O-CB 3.23Å; L202-R206 WeakPolarHBondContact O-CB 3.5Å; L202-R206 PolarHBondContact O-N 2.68Å; N203-R206 PolarHBondContact O-N 3.44Å; F204-R206 VanDerWaalsContact C-N 3.32Å; F204-R206 PolarHBondContact O-N 3.38Å; R206-N208 PolarHBondContact O-N 3.06Å; R206-N209 WeakPolarHBondContact O-CA 3.38Å; R206-N209 PolarHBondContact O-N 2.83Å; R206-Y210 HydrophobicContact CB-CE1 4.47Å; R206-Y210 HydrophobicContact CB-CE2 4.01Å; R206-Y210 HydrophobicContact CG-CE2 3.9Å
207K93.8Very high90.4Very high166 Ų16672.4 Ų72.472%0.72234%0.341SS*.Hα-helixtrans-62.2-29.6175.2-77.6179.4178.2-176.20111.8N203 F204 N209N203-K207 WeakPolarHBondContact O-CB 3.47Å; N203-K207 WeakPolarHBondContact O-CG 3.31Å; N203-K207 PolarHBondContact O-N 3.46Å; F204-K207 PolarHBondContact O-N 3.28Å; K207-N209 PolarHBondContact O-N 2.92Å
208N93.3Very high88.1Confident23 Ų2377.4 Ų77.412%0.12337%0.372CS..THydrogen-bonded Turntrans-86.121.5169.9-160.436.5000113.3F140 F204 I205 R206 Y210 Q211F140-N208 WeakPolarHBondContact CE1-ND2 3.13Å; F140-N208 WeakPolarHBondContact CZ-ND2 3.44Å; F204-N208 PolarHBondContact O-N 3.09Å; F204-N208 VanDerWaalsContact O-N 3.09Å; I205-N208 CarbonylContact O-C 3.56Å; I205-N208 WeakPolarHBondContact O-CA 3.46Å; I205-N208 PolarHBondContact O-N 3.38Å; I205-N208 VanDerWaalsContact O-N 3.17Å; R206-N208 PolarHBondContact O-N 3.06Å; N208-Y210 PolarHBondContact O-N 3.32Å; N208-Q211 WeakPolarHBondContact O-CB 3.25Å; N208-Q211 WeakPolarHBondContact O-CG 3.39Å; N208-Q211 PolarHBondContact O-N 2.9Å
209N92.4Very high85.4Confident126 Ų12686.8 Ų86.867%0.67441%0.412SS*.THydrogen-bonded Turntrans52.629.8178.8-60.1-48.5000115I205 R206 K207 Q211I205-N209 PolarHBondContact O-N 3.28Å; R206-N209 WeakPolarHBondContact O-CA 3.38Å; R206-N209 PolarHBondContact O-N 2.83Å; K207-N209 PolarHBondContact O-N 2.92Å; N209-Q211 HydrophobicContact CB-CG 4.48Å; N209-Q211 PolarHBondContact O-N 3.31Å; N209-Q211 VanDerWaalsContact O-N 3.12Å
210Y91.8Very high82.6Confident106 Ų10696.2 Ų96.242%0.41645%0.452SS..THydrogen-bonded Turntrans55.724.1-174.6-55.5-90000113.7M7 I205 R206 N208M7-Y210 HydrophobicContact CE-CD1 3.49Å; M7-Y210 VanDerWaalsContact CE-CD1 3.49Å; M7-Y210 HydrophobicContact CE-CE1 3.51Å; M7-Y210 HydrophobicContact SD-CE1 4.27Å; I205-Y210 HydrophobicContact CG2-CD1 3.63Å; I205-Y210 HydrophobicContact CG2-CE1 4.19Å; I205-Y210 HydrophobicContact CG2-CG 4.31Å; I205-Y210 PolarHBondContact O-N 3.2Å; R206-Y210 HydrophobicContact CB-CE1 4.47Å; R206-Y210 HydrophobicContact CB-CE2 4.01Å; R206-Y210 HydrophobicContact CG-CE2 3.9Å; N208-Y210 PolarHBondContact O-N 3.32Å
211Q93.9Very high82Confident106 Ų10697.5 Ų97.550%0.49546%0.459SS..  trans-61.8148.2173.5-70.1-175-10.600110.3F140 N208 N209F140-Q211 HydrophobicContact CE1-CB 4.32Å; F140-Q211 WeakPolarHBondContact CE1-O 3.25Å; F140-Q211 HydrophobicContact CZ-CB 4.04Å; N208-Q211 WeakPolarHBondContact O-CB 3.25Å; N208-Q211 WeakPolarHBondContact O-CG 3.39Å; N208-Q211 PolarHBondContact O-N 2.9Å; N209-Q211 HydrophobicContact CB-CG 4.48Å; N209-Q211 PolarHBondContact O-N 3.31Å; N209-Q211 VanDerWaalsContact O-N 3.12Å
212L93.5Very high81.2Confident66 Ų66102.6 Ų102.635%0.34648%0.483SS..  trans-117.4130.8-179.9-62.3175.2000109.1E102 H105 L214E102-L212 WeakPolarHBondContact O-CD1 3.34Å; H105-L212 HydrophobicContact CB-CD2 4.35Å; H105-L212 VanDerWaalsContact CD2-CD2 3.41Å; H105-L212 WeakPolarHBondContact CD2-CD2 3.39Å; H105-L212 WeakPolarHBondContact CE1-CD2 3.38Å; H105-L212 VanDerWaalsContact CG-CD2 3.45Å; H105-L212 WeakPolarHBondContact ND1-CD2 3.4Å; H105-L212 WeakPolarHBondContact NE2-CD2 3.5Å; L212-L214 PolarHBondContact O-N 2.84Å
213L93.3Very high80.4Confident21 Ų21107.5 Ų107.511%0.1151%0.505CS..BIsolated β-bridgetrans-83.3109.9173.6-173.870.1000109.1G103 L104 L133 F140G103-L213 VanDerWaalsContact CA-O 3.31Å; G103-L213 WeakPolarHBondContact CA-O 3.38Å; L104-L213 HydrophobicContact CB-CB 4.37Å; L104-L213 PolarHBondContact N-O 3.12Å; L104-L213 PolarHBondContact O-N 3.28Å; L133-L213 HydrophobicContact CB-CD2 3.68Å; L133-L213 HydrophobicContact CD2-CD2 3.54Å; L133-L213 HydrophobicContact CG-CD2 4.09Å; F140-L213 HydrophobicContact CB-CD2 4.45Å; F140-L213 HydrophobicContact CD1-CB 3.68Å; F140-L213 HydrophobicContact CD2-CB 4.14Å; F140-L213 HydrophobicContact CD2-CD1 4.18Å; F140-L213 HydrophobicContact CD2-CD2 4.47Å; F140-L213 HydrophobicContact CE1-CB 3.71Å; F140-L213 VanDerWaalsContact CE1-N 3.31Å; F140-L213 HydrophobicContact CE2-CB 4.2Å; F140-L213 HydrophobicContact CE2-CD1 4.08Å; F140-L213 HydrophobicContact CG-CB 3.89Å; F140-L213 HydrophobicContact CG-CD2 4.37Å; F140-L213 HydrophobicContact CZ-CB 3.98Å
214L90.1Very high79.4Confident116 Ų116108.6 Ų108.661%0.60751%0.507SS*.  trans-83.6113.6172.7-65.1175.6000109.6L212 K216L212-L214 PolarHBondContact O-N 2.84Å; L214-K216 PolarHBondContact O-N 2.72Å
215L80.3Confident78.3Confident35 Ų35114 Ų11418%0.18353%0.533CS..  trans-82.5110.5174.3-70.7155.1000107.9L96 L132 H217L96-L215 HydrophobicContact CB-CD1 3.35Å; L96-L215 HydrophobicContact CD1-CD1 3.49Å; L96-L215 VanDerWaalsContact CD1-CD1 3.49Å; L96-L215 HydrophobicContact CD2-CD1 4.24Å; L96-L215 HydrophobicContact CG-CD1 3.87Å; L132-L215 WeakPolarHBondContact O-CD2 3.41Å; L215-H217 PolarHBondContact O-N 3.19Å
216K67.6Low77.1Confident194 Ų194121.3 Ų121.384%0.84357%0.567SS**  trans-60.2135.4178.5-65.5-178.9-179.1178.30108.9L214 T218L214-K216 PolarHBondContact O-N 2.72Å; K216-T218 PolarHBondContact O-N 3.17Å
217H54.8Low75.9Confident142 Ų142118.7 Ų118.766%0.65757%0.565SS**  trans-60.8111.4162.6-74.1-77.8000107.5L215 K219L215-H217 PolarHBondContact O-N 3.19Å; H217-K219 VanDerWaalsContact C-N 3.34Å; H217-K219 PolarHBondContact O-N 2.95Å
218T45.9Very low74.6Confident118 Ų118115.1 Ų115.172%0.72455%0.553SS**  trans-66104.5160.1-24.10000105.1K216 E220K216-T218 PolarHBondContact O-N 3.17Å; T218-E220 PolarHBondContact O-N 3.29Å; T218-E220 VanDerWaalsContact O-N 3.17Å
219K36.3Very low73Confident198 Ų198122.8 Ų122.886%0.86159%0.588SS**  trans-62.4113.4162.9-73.4-176.8176-177.40105.3H217H217-K219 VanDerWaalsContact C-N 3.34Å; H217-K219 PolarHBondContact O-N 2.95Å
220E36.2Very low71.2Confident245 Ų245122.5 Ų122.5100%1.14558%0.581SS**  trans-61.50157.3-72.9-179.7166.900109.2T218T218-E220 PolarHBondContact O-N 3.29Å; T218-E220 VanDerWaalsContact O-N 3.17Å

Retrieved 220 of 220 residues in 48 ms (Link to these results)

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