G4LXJ8_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession G4LXJ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 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
1M65.6Low65.3Low201 Ų201112.4 Ų112.499%0.9959%0.593SS**  0-480-84.4-154.4-160.900113.4H3 L4 I5M1-H3 PolarHBondContact O-N 3.49Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-I5 PolarHBondContact O-N 3.24Å; M1-I5 VanDerWaalsContact O-N 3.09Å
2L70.5Confident64.1Low134 Ų134112.7 Ų112.770%0.70260%0.595SS**Hα-helixtrans-58.4-40.8-175.7-158.176.7000114.3L4 I5 L6L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 3.41Å; L2-I5 PolarHBondContact O-N 2.84Å; L2-L6 HydrophobicContact CG-CD1 4.44Å; L2-L6 PolarHBondContact O-N 3.43Å
3H68Low63Low158 Ų158116 Ų11673%0.73161%0.605SS**Hα-helixtrans-67.3-30.5175.2-80.9-44.1000114.1M1 L7M1-H3 PolarHBondContact O-N 3.49Å; H3-L7 WeakPolarHBondContact O-CB 3.36Å; H3-L7 PolarHBondContact O-N 3.17Å
4L73.3Confident61.9Low115 Ų115121.3 Ų121.360%0.60262%0.621SS**Hα-helixtrans-71.7-39.2176-167.173.6000110.3M1 L2 L7 I8M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.32Å; L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 3.41Å; L4-L7 PolarHBondContact O-N 2.89Å; L4-I8 HydrophobicContact CG-CD1 4.19Å; L4-I8 WeakPolarHBondContact O-CB 3.34Å; L4-I8 VanDerWaalsContact O-CG1 3.24Å; L4-I8 WeakPolarHBondContact O-CG1 3.27Å; L4-I8 PolarHBondContact O-N 2.95Å
5I75.5Confident61Low87 Ų87119.2 Ų119.245%0.44662%0.621SS.*Hα-helixtrans-64.9-44.2174.6-64.1168.8000110.3M1 L2 L7 I8 I9M1-I5 PolarHBondContact O-N 3.24Å; M1-I5 VanDerWaalsContact O-N 3.09Å; L2-I5 PolarHBondContact O-N 2.84Å; I5-L7 PolarHBondContact O-N 2.91Å; I5-I8 PolarHBondContact O-N 3.24Å; I5-I9 HydrophobicContact CG2-CD1 3.65Å; I5-I9 HydrophobicContact CG2-CG1 4.32Å; I5-I9 WeakPolarHBondContact O-CB 3.36Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.46Å; I5-I9 PolarHBondContact O-N 3.33Å
6L67.5Low60.3Low94 Ų94116.4 Ų116.449%0.49261%0.608SS.*Hα-helixtrans-62.9-40.8175.1-107.7103.6000112.6L2 I9 C10L2-L6 HydrophobicContact CG-CD1 4.44Å; L2-L6 PolarHBondContact O-N 3.43Å; L6-I9 PolarHBondContact O-N 3.4Å; L6-C10 WeakPolarHBondContact O-CB 3.37Å; L6-C10 PolarHBondContact O-N 2.91Å; L6-C10 PolarHBondContact O-SG 3.34Å
7L63.3Low60.2Low112 Ų112114.6 Ų114.659%0.58661%0.607SS**Hα-helixtrans-65-39176.1-89.8159.7000112H3 L4 I5 S11H3-L7 WeakPolarHBondContact O-CB 3.36Å; H3-L7 PolarHBondContact O-N 3.17Å; L4-L7 PolarHBondContact O-N 2.89Å; I5-L7 PolarHBondContact O-N 2.91Å; L7-S11 VanDerWaalsContact O-CB 3.22Å; L7-S11 WeakPolarHBondContact O-CB 3.45Å; L7-S11 PolarHBondContact O-N 3.5Å; L7-S11 PolarHBondContact O-OG 3.2Å
8I62.3Low60.3Low91 Ų91109.4 Ų109.447%0.46758%0.58SS.*Hα-helixtrans-66.4-45.5174.9-68.6166000110.2L4 I5 S11 L12L4-I8 HydrophobicContact CG-CD1 4.19Å; L4-I8 WeakPolarHBondContact O-CB 3.34Å; L4-I8 VanDerWaalsContact O-CG1 3.24Å; L4-I8 WeakPolarHBondContact O-CG1 3.27Å; L4-I8 PolarHBondContact O-N 2.95Å; I5-I8 PolarHBondContact O-N 3.24Å; I8-S11 PolarHBondContact O-N 3.48Å; I8-L12 HydrophobicContact CG2-CD1 3.64Å; I8-L12 WeakPolarHBondContact O-CD1 3.47Å; I8-L12 PolarHBondContact O-N 3.44Å
9I58.9Low61.1Low96 Ų96111 Ų11149%0.49258%0.582SS.*Hα-helixtrans-62.7-46.6177.8-66.2168.5000110.7I5 L6 S11 L12 E13I5-I9 HydrophobicContact CG2-CD1 3.65Å; I5-I9 HydrophobicContact CG2-CG1 4.32Å; I5-I9 WeakPolarHBondContact O-CB 3.36Å; I5-I9 VanDerWaalsContact O-CG1 3.24Å; I5-I9 WeakPolarHBondContact O-CG1 3.46Å; I5-I9 PolarHBondContact O-N 3.33Å; L6-I9 PolarHBondContact O-N 3.4Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 3.41Å; I9-L12 PolarHBondContact O-N 3.13Å; I9-E13 WeakPolarHBondContact O-CB 3.43Å; I9-E13 PolarHBondContact O-N 2.88Å
10C58.3Low62.2Low70 Ų70107.5 Ų107.547%0.47356%0.561SS.*Hα-helixtrans-66.3-28.3176.3-74.80000113.2L6 K14L6-C10 WeakPolarHBondContact O-CB 3.37Å; L6-C10 PolarHBondContact O-N 2.91Å; L6-C10 PolarHBondContact O-SG 3.34Å; C10-K14 PolarHBondContact O-N 2.86Å
11S54.6Low63.6Low78 Ų78104.7 Ų104.755%0.54555%0.551SS.*Hα-helixtrans-76.5-35.2175.6-58.80000111.8L7 I8 I9L7-S11 VanDerWaalsContact O-CB 3.22Å; L7-S11 WeakPolarHBondContact O-CB 3.45Å; L7-S11 PolarHBondContact O-N 3.5Å; L7-S11 PolarHBondContact O-OG 3.2Å; I8-S11 PolarHBondContact O-N 3.48Å; I9-S11 VanDerWaalsContact C-N 3.28Å; I9-S11 PolarHBondContact O-N 3.41Å
12L51.9Low64.9Low116 Ų11695.9 Ų95.961%0.60751%0.508SS*.Hα-helixtrans-68-41.9171.7-93.292.4000111.4I8 I9 K14 S15I8-L12 HydrophobicContact CG2-CD1 3.64Å; I8-L12 WeakPolarHBondContact O-CD1 3.47Å; I8-L12 PolarHBondContact O-N 3.44Å; I9-L12 PolarHBondContact O-N 3.13Å; L12-K14 PolarHBondContact O-N 2.75Å; L12-K14 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-N 2.95Å
13E49.8Very low66Low156 Ų15691.5 Ų91.573%0.72949%0.489SS*.Hα-helixtrans-65.1-19.7-178.3-151.5170-154.300112.9I9I9-E13 WeakPolarHBondContact O-CB 3.43Å; I9-E13 PolarHBondContact O-N 2.88Å
14K47.7Very low67.3Low190 Ų19084.5 Ų84.583%0.82646%0.457SS*.THydrogen-bonded Turntrans-90.1-8.3-179.2-144.2171.7-172.8173.80114.6C10 L12C10-K14 PolarHBondContact O-N 2.86Å; L12-K14 PolarHBondContact O-N 2.75Å; L12-K14 VanDerWaalsContact O-N 3.11Å
15S47.4Very low68.3Low90 Ų9082.2 Ų82.263%0.62944%0.444SS*.SBendtrans-101.5-6.4-173.5-167.70000115.4L12 S17L12-S15 PolarHBondContact O-N 2.95Å; S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.27Å
16D50.5Low68.9Low75 Ų7580.8 Ų80.840%0.40144%0.44SS..  trans-94.438.2-171.8-74.6-15.5000113.9T18D16-T18 PolarHBondContact O-N 3.31Å; D16-T18 VanDerWaalsContact O-N 3.07Å
17S58.2Low69.8Low85 Ų8580.4 Ų80.459%0.59445%0.451SS*.  trans-71.7106.7164.678.90000107.9S15 K19S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.27Å; S17-K19 PolarHBondContact O-N 2.87Å
18T62.9Low70.6Confident21 Ų2181.7 Ų81.713%0.12946%0.459CS..  trans-51.2111.1166.2360000108.7D16 Q44 I46D16-T18 PolarHBondContact O-N 3.31Å; D16-T18 VanDerWaalsContact O-N 3.07Å; T18-Q44 CarbonylContact C-O 3.56Å; T18-Q44 WeakPolarHBondContact CA-O 3.41Å; T18-I46 WeakPolarHBondContact CG2-O 3.47Å
19K73.8Confident71.6Confident140 Ų14080.5 Ų80.561%0.60945%0.451SS*.EExtended strand (participates in β ladder)trans-83.1126.4175.1-73-177-177.5176.30106.7S17 Q44S17-K19 PolarHBondContact O-N 2.87Å; K19-Q44 HydrophobicContact CB-CB 4.29Å; K19-Q44 PolarHBondContact N-O 2.95Å; K19-Q44 WeakPolarHBondContact O-CA 3.34Å; K19-Q44 PolarHBondContact O-N 2.88Å; K19-Q44 VanDerWaalsContact O-O 3.1Å
20F84.1Confident73.2Confident40 Ų4077.9 Ų77.918%0.17544%0.44CS..EExtended strand (participates in β ladder)trans-132.9144.8178.170.6-65.6000108Q42 I43 N112 T114F20-Q42 CarbonylContact C-O 3.54Å; F20-Q42 WeakPolarHBondContact CA-O 3.48Å; F20-I43 HydrophobicContact CB-CG1 4.09Å; F20-N112 HydrophobicContact CD1-CB 4.13Å; F20-N112 HydrophobicContact CE1-CB 3.49Å; F20-N112 VanDerWaalsContact CE1-CB 3.49Å; F20-N112 HydrophobicContact CE2-CB 4.07Å; F20-N112 HydrophobicContact CZ-CB 3.48Å; F20-N112 VanDerWaalsContact CZ-CB 3.48Å; F20-T114 HydrophobicContact CD1-CG2 4.49Å; F20-T114 HydrophobicContact CD2-CG2 3.55Å; F20-T114 HydrophobicContact CE1-CG2 4.14Å; F20-T114 HydrophobicContact CE2-CG2 3.21Å; F20-T114 WeakPolarHBondContact CE2-OG1 3.07Å; F20-T114 HydrophobicContact CG-CG2 4.17Å; F20-T114 HydrophobicContact CZ-CG2 3.47Å; F20-T114 VanDerWaalsContact CZ-CG2 3.47Å; F20-T114 VanDerWaalsContact O-CG2 3.3Å; F20-T114 WeakPolarHBondContact O-CG2 3.4Å
21S90.5Very high74.9Confident50 Ų5074.6 Ų74.635%0.3542%0.418SS..EExtended strand (participates in β ladder)trans-144.4149.6-174.865.40000110.7C41 Q42S21-C41 CarbonylContact O-C 3.55Å; S21-C41 VanDerWaalsContact O-CA 3.26Å; S21-C41 WeakPolarHBondContact O-CA 3.27Å; S21-Q42 PolarHBondContact N-O 3.48Å; S21-Q42 PolarHBondContact O-N 2.95Å
22L93.6Very high76.7Confident15 Ų1573.7 Ų73.78%0.07941%0.407CS..EExtended strand (participates in β ladder)trans-118.9130.1174.1176.762000108.1L39 R40 C41 F56 W105 C107 Q116L22-L39 HydrophobicContact CD1-CB 4.14Å; L22-R40 WeakPolarHBondContact CA-O 3.43Å; L22-C41 HydrophobicContact CD1-CB 4.38Å; L22-F56 HydrophobicContact CD1-CE1 3.84Å; L22-W105 HydrophobicContact CD2-CB 4.45Å; L22-C107 HydrophobicContact CB-CB 4.23Å; L22-C107 HydrophobicContact CD1-CB 4.22Å; L22-C107 HydrophobicContact CD2-CB 4.37Å; L22-Q116 HydrophobicContact CD2-CB 3.77Å; L22-Q116 HydrophobicContact CG-CB 3.91Å
23S94.6Very high78.7Confident43 Ų4371.7 Ų71.730%0.30140%0.396SS..EExtended strand (participates in β ladder)trans-131.2156.4177.159.40000110.9L39 R40S23-L39 WeakPolarHBondContact O-CA 3.4Å; S23-R40 PolarHBondContact N-O 3.44Å; S23-R40 PolarHBondContact O-N 3.2Å; S23-R40 PolarHBondContact OG-O 2.86Å
24I94.7Very high80.8Confident11 Ų1166.3 Ų66.36%0.05638%0.382CS..EExtended strand (participates in β ladder)trans-110.7131.5178.1-69.6170.1000108.6P26 A27 V37 L39 Q116 T117 L118I24-P26 CarbonylContact O-C 3.58Å; I24-A27 WeakPolarHBondContact O-CA 3.45Å; I24-A27 PolarHBondContact O-N 3.49Å; I24-V37 HydrophobicContact CG2-CG1 3.87Å; I24-L39 HydrophobicContact CB-CD2 4.46Å; I24-L39 HydrophobicContact CD1-CD2 4.16Å; I24-L39 HydrophobicContact CG1-CD2 3.47Å; I24-L39 VanDerWaalsContact CG1-CD2 3.47Å; I24-Q116 HydrophobicContact CD1-CB 4.07Å; I24-Q116 HydrophobicContact CD1-CG 3.26Å; I24-Q116 HydrophobicContact CG1-CB 4.38Å; I24-Q116 HydrophobicContact CG1-CG 3.65Å; I24-T117 WeakPolarHBondContact CD1-O 3.41Å; I24-L118 HydrophobicContact CD1-CB 4.2Å; I24-L118 HydrophobicContact CD1-CD1 4.12Å; I24-L118 HydrophobicContact CG2-CD1 4.16Å
25I93.4Very high83Confident67 Ų6761.4 Ų61.434%0.34436%0.362SS..EExtended strand (participates in β ladder)trans-121.9126.6175.7-54.6170.6000107.7I38 R40I25-I38 HydrophobicContact CB-CB 4.17Å; I25-I38 PolarHBondContact N-O 3.27Å; I25-I38 PolarHBondContact O-N 2.89Å; I25-R40 HydrophobicContact CD1-CB 4.15Å
26P88.8Confident85.3Confident56 Ų5662.9 Ų62.936%0.36436%0.357SS..SBendcis-67.6147.91.130.2-35.4000112.5I24 N28 V31I24-P26 CarbonylContact O-C 3.58Å; P26-N28 PolarHBondContact O-N 3.38Å; P26-V31 HydrophobicContact CG-CG1 4.46Å
27A85.6Confident87.5Confident87 Ų8759.3 Ų59.372%0.71934%0.338SS*.SBendtrans-67.8-20.5177.700000112.6I24 Q29I24-A27 WeakPolarHBondContact O-CA 3.45Å; I24-A27 PolarHBondContact O-N 3.49Å; A27-Q29 PolarHBondContact O-N 2.94Å
28N81.1Confident89.4Confident139 Ų13956.8 Ų56.874%0.74332%0.317SS*.SBendtrans-72.692.3174.2-66-8.5000109.2P26P26-N28 PolarHBondContact O-N 3.38Å
29Q83.4Confident91Very high66 Ų6655.8 Ų55.831%0.30831%0.311SS..PPolyproline II helixtrans-86.4155.1165.3-70.8-162.5-9.700110.6A27 T117A27-Q29 PolarHBondContact O-N 2.94Å; Q29-T117 PolarHBondContact NE2-O 3.49Å; Q29-T117 PolarHBondContact OE1-O 2.91Å
30P91.9Very high92.1Very high41 Ų4152.5 Ų52.527%0.26630%0.295SS..PPolyproline II helixcis-83.4161.5-2.227.7-26.4000113.6E119 Y121P30-E119 HydrophobicContact CB-CB 3.93Å; P30-E119 HydrophobicContact CB-CG 3.77Å; P30-Y121 HydrophobicContact CB-CD1 3.66Å; P30-Y121 HydrophobicContact CB-CD2 4.3Å; P30-Y121 HydrophobicContact CB-CE1 3.74Å; P30-Y121 HydrophobicContact CB-CE2 4.38Å; P30-Y121 HydrophobicContact CB-CG 3.98Å; P30-Y121 HydrophobicContact CG-CD1 3.6Å; P30-Y121 HydrophobicContact CG-CD2 3.55Å; P30-Y121 HydrophobicContact CG-CE1 3.34Å; P30-Y121 HydrophobicContact CG-CE2 3.29Å; P30-Y121 HydrophobicContact CG-CG 3.73Å
31V93.7Very high92.6Very high1 Ų150.6 Ų50.61%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-98.5146.8178.1-61.50000111.4P26 V37 V97 L118 E119 V120 Y121P26-V31 HydrophobicContact CG-CG1 4.46Å; V31-V37 HydrophobicContact CB-CG2 4.09Å; V31-V37 HydrophobicContact CG1-CG2 3.74Å; V31-V37 HydrophobicContact CG2-CG2 3.96Å; V31-V97 HydrophobicContact CG2-CG1 4.27Å; V31-L118 HydrophobicContact CG2-CD1 3.82Å; V31-L118 HydrophobicContact CG2-CG 4.42Å; V31-E119 WeakPolarHBondContact CG2-O 3.28Å; V31-E119 PolarHBondContact N-O 2.89Å; V31-V120 HydrophobicContact CG2-CG2 4.05Å; V31-V120 CarbonylContact O-C 3.57Å; V31-V120 VanDerWaalsContact O-CA 3.28Å; V31-V120 WeakPolarHBondContact O-CA 3.49Å; V31-Y121 PolarHBondContact O-N 3.01Å
32L93.5Very high92.7Very high59 Ų5950.5 Ų50.531%0.30928%0.281SS..EExtended strand (participates in β ladder)trans-83.6146.3176.1-63.3169.6000111.2G34 Q35 Y121 P123 Q278L32-G34 PolarHBondContact O-N 3.42Å; L32-Q35 HydrophobicContact CB-CG 4.06Å; L32-Q35 VanDerWaalsContact O-CB 3.3Å; L32-Q35 WeakPolarHBondContact O-CB 3.41Å; L32-Q35 WeakPolarHBondContact O-CG 3.22Å; L32-Q35 PolarHBondContact O-N 2.98Å; L32-Q35 VanDerWaalsContact O-N 3.09Å; L32-Y121 WeakPolarHBondContact CA-O 3.15Å; L32-P123 HydrophobicContact CD2-CG 3.61Å; L32-Q278 HydrophobicContact CD2-CB 4.44Å
33I93.4Very high92.3Very high74 Ų7450.1 Ų50.138%0.37928%0.279SS..THydrogen-bonded Turntrans-50.3136.3168.2-70.4-179.8000110Q35 V97 W99 V120 Y121 A122 M248I33-Q35 VanDerWaalsContact C-N 3.33Å; I33-V97 WeakPolarHBondContact CA-O 3.27Å; I33-W99 HydrophobicContact CD1-CB 4Å; I33-W99 HydrophobicContact CD1-CE3 4.36Å; I33-V120 HydrophobicContact CG1-CG1 3.72Å; I33-Y121 PolarHBondContact N-O 3.48Å; I33-A122 HydrophobicContact CD1-CB 3.42Å; I33-A122 VanDerWaalsContact CD1-CB 3.42Å; I33-A122 HydrophobicContact CG1-CB 4.22Å; I33-M248 HydrophobicContact CD1-CE 4.3Å
34G93.4Very high91.6Very high42 Ų4253.6 Ų53.643%0.43329%0.29SS..THydrogen-bonded Turntrans91.8-15.6-178.800000114.4L32 S96 V97L32-G34 PolarHBondContact O-N 3.42Å; G34-S96 WeakPolarHBondContact CA-OG 3.33Å; G34-V97 PolarHBondContact N-O 3.47Å
35Q94.4Very high90.6Very high87 Ų8755.8 Ų55.841%0.40732%0.316SS..  trans-74.3155.7177-67.8-176.2-34.800111.9L32 I33 V97L32-Q35 HydrophobicContact CB-CG 4.06Å; L32-Q35 VanDerWaalsContact O-CB 3.3Å; L32-Q35 WeakPolarHBondContact O-CB 3.41Å; L32-Q35 WeakPolarHBondContact O-CG 3.22Å; L32-Q35 PolarHBondContact O-N 2.98Å; L32-Q35 VanDerWaalsContact O-N 3.09Å; I33-Q35 VanDerWaalsContact C-N 3.33Å; Q35-V97 WeakPolarHBondContact O-CB 3.26Å; Q35-V97 WeakPolarHBondContact O-CG2 3.37Å; Q35-V97 PolarHBondContact O-N 3.45Å
36K95.6Very high89.2Confident121 Ų12157.3 Ų57.353%0.52632%0.324SS..  trans-84.7137.4172-174.6-178.2179.1-175.40109.6H93 I94K36-H93 VanDerWaalsContact CE-ND1 3.31Å; K36-H93 WeakPolarHBondContact CE-ND1 3.47Å; K36-H93 PolarHBondContact NZ-ND1 3.42Å; K36-I94 WeakPolarHBondContact CA-O 3.36Å; K36-I94 WeakPolarHBondContact CG-O 3.43Å
37V96.9Very high88.1Confident0 Ų057.2 Ų57.20%032%0.316CS..EExtended strand (participates in β ladder)trans-129.8147.4175.4171.10000109.8I24 V31 L39 H93 I94 V97 L118I24-V37 HydrophobicContact CG2-CG1 3.87Å; V31-V37 HydrophobicContact CB-CG2 4.09Å; V31-V37 HydrophobicContact CG1-CG2 3.74Å; V31-V37 HydrophobicContact CG2-CG2 3.96Å; V37-L39 HydrophobicContact CG1-CD2 4.2Å; V37-H93 CarbonylContact O-C 3.54Å; V37-H93 WeakPolarHBondContact O-CA 3.3Å; V37-I94 PolarHBondContact N-O 2.95Å; V37-I94 VanDerWaalsContact N-O 3.15Å; V37-I94 PolarHBondContact O-N 3.3Å; V37-V97 HydrophobicContact CB-CG2 3.87Å; V37-V97 HydrophobicContact CG2-CG2 3.54Å; V37-L118 HydrophobicContact CG1-CD1 4.09Å; V37-L118 HydrophobicContact CG2-CD1 4.44Å
38I97.4Very high86.9Confident32 Ų3260 Ų6016%0.16432%0.318CS..EExtended strand (participates in β ladder)trans-119.3125.8174.9-45176.8000108.2I25 E91 L92 H93I25-I38 HydrophobicContact CB-CB 4.17Å; I25-I38 PolarHBondContact N-O 3.27Å; I25-I38 PolarHBondContact O-N 2.89Å; I38-E91 HydrophobicContact CG2-CB 3.79Å; I38-E91 HydrophobicContact CG2-CG 4.28Å; I38-L92 CarbonylContact C-O 3.59Å; I38-L92 WeakPolarHBondContact CA-O 3.36Å; I38-H93 VanDerWaalsContact CD1-CE1 3.46Å; I38-H93 WeakPolarHBondContact CD1-CE1 3.29Å; I38-H93 WeakPolarHBondContact CD1-ND1 3.18Å; I38-H93 WeakPolarHBondContact CG1-ND1 3.02Å
39L97.2Very high86Confident0 Ų054.8 Ų54.80%029%0.293CS..EExtended strand (participates in β ladder)trans-98.2108.6169.5-55.1-179.2000107.3L22 S23 I24 V37 F56 L92 I94 W105L22-L39 HydrophobicContact CD1-CB 4.14Å; S23-L39 WeakPolarHBondContact O-CA 3.4Å; I24-L39 HydrophobicContact CB-CD2 4.46Å; I24-L39 HydrophobicContact CD1-CD2 4.16Å; I24-L39 HydrophobicContact CG1-CD2 3.47Å; I24-L39 VanDerWaalsContact CG1-CD2 3.47Å; V37-L39 HydrophobicContact CG1-CD2 4.2Å; L39-F56 HydrophobicContact CB-CD1 4.31Å; L39-F56 HydrophobicContact CB-CE1 3.75Å; L39-F56 WeakPolarHBondContact O-CZ 3.45Å; L39-L92 HydrophobicContact CB-CB 4.27Å; L39-L92 HydrophobicContact CD1-CD2 4.27Å; L39-L92 PolarHBondContact N-O 3.49Å; L39-L92 PolarHBondContact O-N 2.89Å; L39-I94 HydrophobicContact CD1-CD1 4.34Å; L39-W105 HydrophobicContact CD1-CB 3.88Å; L39-W105 HydrophobicContact CD1-CD2 3.28Å; L39-W105 HydrophobicContact CD1-CE3 3.14Å; L39-W105 HydrophobicContact CD1-CG 3.6Å; L39-W105 HydrophobicContact CD1-CH2 4.47Å; L39-W105 HydrophobicContact CD1-CZ3 3.78Å
40R96.5Very high85.2Confident72 Ų7255.9 Ų55.927%0.27230%0.304SS..EExtended strand (participates in β ladder)trans-100115.9-178.6-178.8175.8-170.1-179.47.6109.4L22 S23 I25 Q42 T89 Y90 E91L22-R40 WeakPolarHBondContact CA-O 3.43Å; S23-R40 PolarHBondContact N-O 3.44Å; S23-R40 PolarHBondContact O-N 3.2Å; S23-R40 PolarHBondContact OG-O 2.86Å; I25-R40 HydrophobicContact CD1-CB 4.15Å; R40-Q42 HydrophobicContact CG-CG 4.13Å; R40-Q42 VanDerWaalsContact CZ-NE2 3.25Å; R40-Q42 VanDerWaalsContact NH2-NE2 3.14Å; R40-T89 HydrophobicContact CG-CG2 4.1Å; R40-Y90 CarbonylContact C-O 3.54Å; R40-Y90 WeakPolarHBondContact CA-O 3.49Å; R40-E91 HydrophobicContact CB-CG 4.3Å; R40-E91 WeakPolarHBondContact CD-OE1 3.07Å; R40-E91 HydrophobicContact CG-CG 4.03Å; R40-E91 IonicContact CZ-OE1 3.21Å; R40-E91 IonicContact NE-OE1 2.67Å; R40-E91 PolarHBondContact NE-OE1 2.99Å
41C94.4Very high84.4Confident0 Ų062.2 Ų62.20%033%0.327CS..EExtended strand (participates in β ladder)trans-104126.7171.4-169.60000110.1S21 L22 F56 Y90 C107S21-C41 CarbonylContact O-C 3.55Å; S21-C41 VanDerWaalsContact O-CA 3.26Å; S21-C41 WeakPolarHBondContact O-CA 3.27Å; L22-C41 HydrophobicContact CD1-CB 4.38Å; C41-F56 HydrophobicContact CB-CE1 4.12Å; C41-F56 HydrophobicContact CB-CE2 4.38Å; C41-F56 HydrophobicContact CB-CZ 3.64Å; C41-Y90 PolarHBondContact N-O 3.4Å; C41-Y90 PolarHBondContact O-N 3.35Å; C41-C107 HydrophobicContact CB-CB 3.71Å; C41-C107 WeakPolarHBondContact CB-SG 3.22Å; C41-C107 WeakPolarHBondContact SG-CB 3.42Å; C41-C107 CovalentContact SG-SG 2.02Å; C41-C107 PolarHBondContact SG-SG 2.89Å
42Q92.8Very high83.9Confident48 Ų4868 Ų6822%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-120136.6178.4-66.5-173.8-50.800110F20 S21 R40 T89F20-Q42 CarbonylContact C-O 3.54Å; F20-Q42 WeakPolarHBondContact CA-O 3.48Å; S21-Q42 PolarHBondContact N-O 3.48Å; S21-Q42 PolarHBondContact O-N 2.95Å; R40-Q42 HydrophobicContact CG-CG 4.13Å; R40-Q42 VanDerWaalsContact CZ-NE2 3.25Å; R40-Q42 VanDerWaalsContact NH2-NE2 3.14Å; Q42-T89 HydrophobicContact CG-CG2 4.3Å
43I86.7Confident83.6Confident6 Ų665.8 Ų65.83%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-115.7118.1173.8-63176.1000107.8F20 V54 E88 Y90 Y109F20-I43 HydrophobicContact CB-CG1 4.09Å; I43-V54 HydrophobicContact CD1-CG2 3.16Å; I43-V54 HydrophobicContact CG1-CG2 4.36Å; I43-E88 PolarHBondContact N-O 3.38Å; I43-Y90 HydrophobicContact CD1-CE2 4.26Å; I43-Y109 HydrophobicContact CD1-CD2 3.84Å; I43-Y109 HydrophobicContact CD1-CE2 4.38Å; I43-Y109 HydrophobicContact CD1-CG 3.91Å
44Q80Confident83.5Confident116 Ų11662.4 Ų62.454%0.54232%0.323SS..EExtended strand (participates in β ladder)trans-112.3139.2177.3-63.7177.6-3.700109.5T18 K19T18-Q44 CarbonylContact C-O 3.56Å; T18-Q44 WeakPolarHBondContact CA-O 3.41Å; K19-Q44 HydrophobicContact CB-CB 4.29Å; K19-Q44 PolarHBondContact N-O 2.95Å; K19-Q44 WeakPolarHBondContact O-CA 3.34Å; K19-Q44 PolarHBondContact O-N 2.88Å; K19-Q44 VanDerWaalsContact O-O 3.1Å
45G71.9Confident83.5Confident58 Ų5862.2 Ų62.260%0.59831%0.312SS*.SBendtrans101.8-179.4178.300000114R47G45-R47 PolarHBondContact O-N 3.39Å
46I63.9Low83.6Confident99 Ų9958.1 Ų58.151%0.50829%0.293SS..  trans-74.6119.5-170-59.7175.7000110.8T18 L48T18-I46 WeakPolarHBondContact CG2-O 3.47Å; I46-L48 PolarHBondContact O-N 3Å
47R65.9Low83.7Confident53 Ų5356 Ų5620%0.228%0.281CS..  trans-77.7106.3173.5-71.4-174.4175.6-173.3-2.1110.7G45 S49 Q85 A87G45-R47 PolarHBondContact O-N 3.39Å; R47-S49 PolarHBondContact O-N 2.92Å; R47-Q85 PolarHBondContact NH1-O 3.49Å; R47-A87 PolarHBondContact NH1-O 3.44Å; R47-A87 PolarHBondContact NH2-O 2.86Å
48L60.9Low83.6Confident146 Ų14656.8 Ų56.876%0.76429%0.285SS*.SBendtrans-66.9-19.1179.3-72.5152.2000113.8I46I46-L48 PolarHBondContact O-N 3Å
49S63.5Low83.3Confident30 Ų3061.3 Ų61.321%0.2130%0.303CS..  trans-153.2124.1-176.61760000112.5R47 K51 Y52 Y109R47-S49 PolarHBondContact O-N 2.92Å; S49-K51 PolarHBondContact O-N 2.75Å; S49-K51 WeakPolarHBondContact OG-CB 3.23Å; S49-K51 PolarHBondContact OG-N 2.84Å; S49-Y52 WeakPolarHBondContact OG-CE2 3.37Å; S49-Y109 PolarHBondContact O-OH 3.03Å
50T66Low83Confident88 Ų8869.1 Ų69.154%0.5434%0.34SS..THydrogen-bonded Turntrans-73.2-0.1172.351.80000113.2W84T50-W84 WeakPolarHBondContact O-CZ3 3.49Å
51K75.6Confident82.9Confident175 Ų17569.7 Ų69.776%0.76135%0.352SS*.THydrogen-bonded Turntrans-82.4-18.8-178.6-60.4-176179.1179.30113.6S49S49-K51 PolarHBondContact O-N 2.75Å; S49-K51 WeakPolarHBondContact OG-CB 3.23Å; S49-K51 PolarHBondContact OG-N 2.84Å
52Y83.2Confident82.9Confident122 Ų12271.9 Ų71.948%0.47837%0.365SS..PPolyproline II helixtrans-99.7130.3-176-56.5-69.1000110.7S49 Y109 A110S49-Y52 WeakPolarHBondContact OG-CE2 3.37Å; Y52-Y109 WeakPolarHBondContact O-CE2 3.4Å; Y52-A110 HydrophobicContact CD1-CB 3.99Å; Y52-A110 HydrophobicContact CD2-CB 3.88Å; Y52-A110 HydrophobicContact CE1-CB 4.37Å; Y52-A110 HydrophobicContact CE2-CB 4.27Å; Y52-A110 HydrophobicContact CG-CB 3.73Å
53A86.6Confident83.2Confident12 Ų1270.2 Ų70.210%0.09936%0.357CS..PPolyproline II helixtrans-99.6156.4173.500000110.4L55 K66 W84A53-L55 WeakPolarHBondContact O-CD1 3.5Å; A53-K66 HydrophobicContact CB-CB 4.38Å; A53-K66 HydrophobicContact CB-CG 3.44Å; A53-K66 VanDerWaalsContact CB-CG 3.44Å; A53-W84 HydrophobicContact CB-CE3 3.82Å; A53-W84 HydrophobicContact CB-CZ3 4.1Å
54V90.4Very high83.6Confident3 Ų369.9 Ų69.92%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-77.1135.7167.1176.20000110.1I43 Y90 C107 I108 Y109I43-V54 HydrophobicContact CD1-CG2 3.16Å; I43-V54 HydrophobicContact CG1-CG2 4.36Å; V54-Y90 HydrophobicContact CB-CD1 4.05Å; V54-Y90 HydrophobicContact CB-CD2 4.01Å; V54-Y90 HydrophobicContact CB-CE1 3.8Å; V54-Y90 HydrophobicContact CB-CE2 3.76Å; V54-Y90 HydrophobicContact CB-CG 4.16Å; V54-Y90 HydrophobicContact CG1-CD1 4.31Å; V54-Y90 HydrophobicContact CG1-CD2 4.07Å; V54-Y90 HydrophobicContact CG1-CE2 4.32Å; V54-Y90 HydrophobicContact CG1-CG 4.08Å; V54-Y90 HydrophobicContact CG2-CD2 3.82Å; V54-Y90 HydrophobicContact CG2-CE1 4.17Å; V54-Y90 HydrophobicContact CG2-CE2 3.27Å; V54-Y90 HydrophobicContact CG2-CG 4.47Å; V54-Y90 VanDerWaalsContact CG2-CZ 3.47Å; V54-C107 WeakPolarHBondContact CG1-SG 3.34Å; V54-I108 WeakPolarHBondContact CA-O 3.38Å; V54-Y109 HydrophobicContact CG2-CD2 3.99Å
55L93.8Very high84.3Confident39 Ų3967.5 Ų67.520%0.20434%0.344CS..EExtended strand (participates in β ladder)trans-120.3138.6173.8-50.698.1000110.5A53 V62 S64 E65 C107 I108A53-L55 WeakPolarHBondContact O-CD1 3.5Å; L55-V62 HydrophobicContact CB-CG1 4.41Å; L55-V62 HydrophobicContact CD2-CG1 3.91Å; L55-S64 VanDerWaalsContact CA-O 3.28Å; L55-S64 WeakPolarHBondContact CA-O 3.28Å; L55-E65 HydrophobicContact CD2-CB 3.92Å; L55-E65 HydrophobicContact CG-CB 4.15Å; L55-C107 WeakPolarHBondContact O-CA 3.39Å; L55-I108 HydrophobicContact CB-CB 4.46Å; L55-I108 HydrophobicContact CD1-CB 4.45Å; L55-I108 HydrophobicContact CD1-CG2 4.46Å; L55-I108 PolarHBondContact N-O 2.73Å; L55-I108 PolarHBondContact O-N 2.76Å
56F96.7Very high85.3Confident1 Ų169.6 Ų69.60%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-96.4133.3161.9-74.3-93000109.1L22 L39 C41 I63 S64 L77 L92 S106L22-F56 HydrophobicContact CD1-CE1 3.84Å; L39-F56 HydrophobicContact CB-CD1 4.31Å; L39-F56 HydrophobicContact CB-CE1 3.75Å; L39-F56 WeakPolarHBondContact O-CZ 3.45Å; C41-F56 HydrophobicContact CB-CE1 4.12Å; C41-F56 HydrophobicContact CB-CE2 4.38Å; C41-F56 HydrophobicContact CB-CZ 3.64Å; F56-I63 HydrophobicContact CB-CB 4.43Å; F56-I63 PolarHBondContact O-N 3.33Å; F56-S64 WeakPolarHBondContact CB-OG 3.33Å; F56-S64 WeakPolarHBondContact CD2-OG 3.46Å; F56-S64 PolarHBondContact N-O 2.82Å; F56-S64 PolarHBondContact O-N 3.34Å; F56-L77 HydrophobicContact CD2-CD1 4.37Å; F56-L77 HydrophobicContact CE2-CD1 3.92Å; F56-L92 HydrophobicContact CB-CD2 3.7Å; F56-L92 HydrophobicContact CD1-CB 4.1Å; F56-L92 HydrophobicContact CD1-CD2 3.87Å; F56-L92 HydrophobicContact CD2-CB 4.03Å; F56-L92 HydrophobicContact CD2-CD2 4.28Å; F56-L92 HydrophobicContact CE1-CB 3.98Å; F56-L92 HydrophobicContact CE2-CB 3.9Å; F56-L92 HydrophobicContact CG-CB 4.11Å; F56-L92 HydrophobicContact CG-CD2 3.7Å; F56-L92 HydrophobicContact CG-CG 4.48Å; F56-L92 HydrophobicContact CZ-CB 3.87Å; F56-S106 WeakPolarHBondContact CA-O 3.46Å
57R96.5Very high86.6Confident77 Ų7766.4 Ų66.429%0.29132%0.323SS..EExtended strand (participates in β ladder)trans-129.8137.8177.1-171.6-176.4-66.2-172.2-0.3109.8K59 T61 S106 I108R57-K59 VanDerWaalsContact CD-O 3.26Å; R57-K59 WeakPolarHBondContact CD-O 3.33Å; R57-K59 WeakPolarHBondContact CG-O 3.35Å; R57-T61 WeakPolarHBondContact CA-O 3.23Å; R57-T61 VanDerWaalsContact CG-O 3.3Å; R57-T61 WeakPolarHBondContact CG-O 3.26Å; R57-S106 PolarHBondContact N-O 3.1Å; R57-S106 PolarHBondContact O-N 3.15Å; R57-I108 HydrophobicContact CB-CD1 4.02Å
58H96.2Very high88Confident16 Ų1669.8 Ų69.87%0.07434%0.339CS..EExtended strand (participates in β ladder)trans-120.9120.9169177.5-113.5000108.2E60 T61 I63 A100 D101 R102 D104 W105H58-E60 PolarHBondContact O-N 3.12Å; H58-T61 PolarHBondContact N-O 2.98Å; H58-T61 PolarHBondContact O-N 3Å; H58-I63 HydrophobicContact CB-CD1 4.28Å; H58-I63 HydrophobicContact CB-CG1 4.08Å; H58-A100 PolarHBondContact CE1-O 2.8Å; H58-D101 PolarHBondContact NE2-O 3.11Å; H58-R102 PolarHBondContact NE2-O 3.31Å; H58-D104 PolarHBondContact CD2-O 3.44Å; H58-W105 HydrophobicContact CB-CD2 3.9Å; H58-W105 HydrophobicContact CB-CE3 3.82Å; H58-W105 HydrophobicContact CB-CH2 3.86Å; H58-W105 HydrophobicContact CB-CZ2 3.91Å; H58-W105 HydrophobicContact CB-CZ3 3.83Å; H58-W105 AromaticContact CD2-CD1 3.66Å; H58-W105 AromaticContact CD2-CD2 3.79Å; H58-W105 AromaticContact CD2-CE2 3.37Å; H58-W105 AromaticContact CD2-CG 3.98Å; H58-W105 AromaticContact CD2-CZ2 3.85Å; H58-W105 AromaticContact CD2-NE1 3.26Å; H58-W105 PolarHBondContact CD2-NE1 3.38Å; H58-W105 VanDerWaalsContact CD2-NE1 3.26Å; H58-W105 AromaticContact CG-CE2 3.73Å; H58-W105 AromaticContact CG-CZ2 3.78Å; H58-W105 AromaticContact NE2-NE1 3.71Å
59K90.9Very high89.7Confident127 Ų12763.6 Ų63.655%0.55231%0.308SS*.THydrogen-bonded Turntrans52.4-121.1-168.8-57.1173.4179.3174.10110.4R57 D104R57-K59 VanDerWaalsContact CD-O 3.26Å; R57-K59 WeakPolarHBondContact CD-O 3.33Å; R57-K59 WeakPolarHBondContact CG-O 3.35Å; K59-D104 PolarHBondContact N-O 2.91Å
60E89.9Confident91.3Very high163 Ų16367.2 Ų67.276%0.76232%0.318SS*.THydrogen-bonded Turntrans-94.3-3.4177.2-60-50.3138.100113.8H58H58-E60 PolarHBondContact O-N 3.12Å
61T94.7Very high92.7Very high85 Ų8568.1 Ų68.152%0.52132%0.316SS..EExtended strand (participates in β ladder)trans-94.9122.1-174.5-51.50000110.6R57 H58 I63R57-T61 WeakPolarHBondContact CA-O 3.23Å; R57-T61 VanDerWaalsContact CG-O 3.3Å; R57-T61 WeakPolarHBondContact CG-O 3.26Å; H58-T61 PolarHBondContact N-O 2.98Å; H58-T61 PolarHBondContact O-N 3Å; T61-I63 HydrophobicContact CG2-CD1 4.06Å
62V95.9Very high93.6Very high46 Ų4662.8 Ų62.828%0.27930%0.304SS..EExtended strand (participates in β ladder)trans-74.4126.3169.3-169.60000108.3L55 Y70L55-V62 HydrophobicContact CB-CG1 4.41Å; L55-V62 HydrophobicContact CD2-CG1 3.91Å; V62-Y70 HydrophobicContact CB-CE2 4.13Å; V62-Y70 HydrophobicContact CG1-CE2 3.81Å; V62-Y70 VanDerWaalsContact O-CD2 3.31Å; V62-Y70 WeakPolarHBondContact O-CD2 3.4Å
63I97.4Very high94.2Very high12 Ų1266 Ų666%0.06232%0.324CS..EExtended strand (participates in β ladder)trans-98-36.5-174.4-57.4-58.8000111.1F56 H58 T61 Y70 F75 L92 W105F56-I63 HydrophobicContact CB-CB 4.43Å; F56-I63 PolarHBondContact O-N 3.33Å; H58-I63 HydrophobicContact CB-CD1 4.28Å; H58-I63 HydrophobicContact CB-CG1 4.08Å; T61-I63 HydrophobicContact CG2-CD1 4.06Å; I63-Y70 WeakPolarHBondContact O-CD2 3.5Å; I63-Y70 PolarHBondContact O-N 3.38Å; I63-Y70 VanDerWaalsContact O-N 3.11Å; I63-F75 HydrophobicContact CD1-CE2 4.25Å; I63-F75 HydrophobicContact CD1-CZ 4.41Å; I63-F75 HydrophobicContact CG2-CD1 4.27Å; I63-F75 HydrophobicContact CG2-CD2 3.55Å; I63-F75 HydrophobicContact CG2-CE1 4.33Å; I63-F75 HydrophobicContact CG2-CE2 3.61Å; I63-F75 HydrophobicContact CG2-CG 3.9Å; I63-F75 HydrophobicContact CG2-CZ 4.01Å; I63-L92 HydrophobicContact CG2-CD1 4.42Å; I63-L92 HydrophobicContact CG2-CD2 3.93Å; I63-W105 HydrophobicContact CB-CZ3 4.41Å; I63-W105 HydrophobicContact CG1-CH2 4.22Å; I63-W105 HydrophobicContact CG1-CZ3 3.81Å; I63-W105 HydrophobicContact CG2-CZ3 4.36Å
64S96.6Very high94.7Very high0 Ų068.2 Ų68.20%033%0.331CS..EExtended strand (participates in β ladder)trans-153.5153.6-179.670.60000111.7L55 F56 F68L55-S64 VanDerWaalsContact CA-O 3.28Å; L55-S64 WeakPolarHBondContact CA-O 3.28Å; F56-S64 WeakPolarHBondContact CB-OG 3.33Å; F56-S64 WeakPolarHBondContact CD2-OG 3.46Å; F56-S64 PolarHBondContact N-O 2.82Å; F56-S64 PolarHBondContact O-N 3.34Å; S64-F68 CarbonylContact C-O 3.2Å; S64-F68 WeakPolarHBondContact CA-O 3.27Å; S64-F68 WeakPolarHBondContact CB-O 3.44Å
65E94.2Very high95.1Very high65 Ų6568.2 Ų68.230%0.30433%0.331SS..EExtended strand (participates in β ladder)trans-148155.2169.475.6-178.4162.600109.3L55 C67 F68 Y70L55-E65 HydrophobicContact CD2-CB 3.92Å; L55-E65 HydrophobicContact CG-CB 4.15Å; E65-C67 PolarHBondContact O-N 2.93Å; E65-C67 VanDerWaalsContact O-N 3.07Å; E65-F68 PolarHBondContact N-O 3.37Å; E65-F68 WeakPolarHBondContact O-CA 3.5Å; E65-F68 WeakPolarHBondContact O-CB 3.47Å; E65-F68 PolarHBondContact O-N 2.93Å; E65-F68 VanDerWaalsContact O-O 3.1Å; E65-Y70 VanDerWaalsContact CG-OH 3.23Å; E65-Y70 WeakPolarHBondContact CG-OH 3.4Å; E65-Y70 PolarHBondContact OE1-OH 3.14Å; E65-Y70 PolarHBondContact OE2-OH 3.16Å
66K91.7Very high95.2Very high102 Ų10270.8 Ų70.844%0.44334%0.342SS..THydrogen-bonded Turntrans48.942.3170.9-61.9176.2-179.3172.30114.2A53 F68 W84A53-K66 HydrophobicContact CB-CB 4.38Å; A53-K66 HydrophobicContact CB-CG 3.44Å; A53-K66 VanDerWaalsContact CB-CG 3.44Å; K66-F68 PolarHBondContact O-N 2.97Å; K66-W84 HydrophobicContact CB-CB 4.3Å; K66-W84 HydrophobicContact CB-CD2 4.12Å; K66-W84 HydrophobicContact CB-CG 3.9Å; K66-W84 HydrophobicContact CG-CD2 3.99Å; K66-W84 HydrophobicContact CG-CE3 4.22Å; K66-W84 HydrophobicContact CG-CG 4.31Å
67C92.5Very high95.2Very high32 Ų3271.7 Ų71.722%0.21635%0.346CS..THydrogen-bonded Turntrans61.922.1-177.3-59.50000115.2E65 C79 W84E65-C67 PolarHBondContact O-N 2.93Å; E65-C67 VanDerWaalsContact O-N 3.07Å; C67-C79 WeakPolarHBondContact CA-SG 3.34Å; C67-C79 HydrophobicContact CB-CB 3.93Å; C67-C79 WeakPolarHBondContact CB-SG 3.37Å; C67-C79 WeakPolarHBondContact SG-CB 3.33Å; C67-C79 CovalentContact SG-SG 2.01Å; C67-C79 PolarHBondContact SG-SG 2.81Å; C67-W84 HydrophobicContact CB-CB 4.15Å; C67-W84 VanDerWaalsContact SG-CA 3.5Å; C67-W84 WeakPolarHBondContact SG-CB 3.44Å
68F95.1Very high95.3Very high124 Ų12470.8 Ų70.854%0.54435%0.347SS..EExtended strand (participates in β ladder)trans-124139177.9178.3-97.3000111S64 E65 K66 Y70S64-F68 CarbonylContact C-O 3.2Å; S64-F68 WeakPolarHBondContact CA-O 3.27Å; S64-F68 WeakPolarHBondContact CB-O 3.44Å; E65-F68 PolarHBondContact N-O 3.37Å; E65-F68 WeakPolarHBondContact O-CA 3.5Å; E65-F68 WeakPolarHBondContact O-CB 3.47Å; E65-F68 PolarHBondContact O-N 2.93Å; E65-F68 VanDerWaalsContact O-O 3.1Å; K66-F68 PolarHBondContact O-N 2.97Å; F68-Y70 HydrophobicContact CD1-CD1 4.15Å; F68-Y70 HydrophobicContact CD1-CE1 4.3Å; F68-Y70 AromaticContact CE1-CD1 3.85Å; F68-Y70 HydrophobicContact CE1-CD1 3.85Å; F68-Y70 HydrophobicContact CE1-CE1 4.33Å
69V97Very high95.2Very high17 Ų1770.3 Ų70.310%0.10335%0.345CS..EExtended strand (participates in β ladder)trans-107.1133.9176.9-70.70000110.5A72 F75 L77 L92V69-A72 HydrophobicContact CG2-CB 4.17Å; V69-F75 HydrophobicContact CB-CB 4.29Å; V69-F75 HydrophobicContact CG1-CB 4.05Å; V69-L77 HydrophobicContact CG1-CB 3.5Å; V69-L77 VanDerWaalsContact CG1-CB 3.5Å; V69-L77 HydrophobicContact CG1-CD2 4.4Å; V69-L92 HydrophobicContact CG1-CD1 3.76Å
70Y96.8Very high95.3Very high105 Ų10569.1 Ų69.141%0.41234%0.341SS..SBendtrans-74.4-26.3179.8-56.4-65.5000113.2V62 I63 E65 F68V62-Y70 HydrophobicContact CB-CE2 4.13Å; V62-Y70 HydrophobicContact CG1-CE2 3.81Å; V62-Y70 VanDerWaalsContact O-CD2 3.31Å; V62-Y70 WeakPolarHBondContact O-CD2 3.4Å; I63-Y70 WeakPolarHBondContact O-CD2 3.5Å; I63-Y70 PolarHBondContact O-N 3.38Å; I63-Y70 VanDerWaalsContact O-N 3.11Å; E65-Y70 VanDerWaalsContact CG-OH 3.23Å; E65-Y70 WeakPolarHBondContact CG-OH 3.4Å; E65-Y70 PolarHBondContact OE1-OH 3.14Å; E65-Y70 PolarHBondContact OE2-OH 3.16Å; F68-Y70 HydrophobicContact CD1-CD1 4.15Å; F68-Y70 HydrophobicContact CD1-CE1 4.3Å; F68-Y70 AromaticContact CE1-CD1 3.85Å; F68-Y70 HydrophobicContact CE1-CD1 3.85Å; F68-Y70 HydrophobicContact CE1-CE1 4.33Å
71Q95.7Very high95.3Very high107 Ų10764.4 Ų64.450%0.533%0.325SS..  trans-117.771.4178.8-65.5-179.5-7.500111.1Q73 K74 F75Q71-Q73 PolarHBondContact O-N 3.27Å; Q71-Q73 VanDerWaalsContact O-N 3.08Å; Q71-K74 HydrophobicContact CB-CB 4.43Å; Q71-K74 PolarHBondContact O-N 2.79Å; Q71-F75 HydrophobicContact CB-CD2 3.9Å; Q71-F75 HydrophobicContact CB-CE2 4.15Å; Q71-F75 PolarHBondContact O-N 3.45Å
72A94.5Very high95Very high63 Ų6367.3 Ų67.352%0.52134%0.338SS..THydrogen-bonded Turntrans-59.8-20.7-17700000114.5V69 K74 F75 K95V69-A72 HydrophobicContact CG2-CB 4.17Å; A72-K74 VanDerWaalsContact C-N 3.35Å; A72-F75 CarbonylContact C-O 3.55Å; A72-F75 VanDerWaalsContact O-O 3.08Å; A72-K95 PolarHBondContact O-NZ 2.86Å
73Q95.8Very high94.6Very high190 Ų19068.1 Ų68.189%0.88834%0.34SS*.THydrogen-bonded Turntrans-69.3-33.8173.9-66.3179.9400112.2Q71 K95Q71-Q73 PolarHBondContact O-N 3.27Å; Q71-Q73 VanDerWaalsContact O-N 3.08Å; Q73-K95 VanDerWaalsContact O-CD 3.28Å; Q73-K95 WeakPolarHBondContact O-CD 3.4Å; Q73-K95 PolarHBondContact O-NZ 3.31Å
74K96.3Very high94.1Very high58 Ų5870.4 Ų70.425%0.25235%0.348SS..THydrogen-bonded Turntrans-97.8-37.4-176.5-174.5171.5-176179.20112.9Q71 A72 K95 D101Q71-K74 HydrophobicContact CB-CB 4.43Å; Q71-K74 PolarHBondContact O-N 2.79Å; A72-K74 VanDerWaalsContact C-N 3.35Å; K74-K95 WeakPolarHBondContact O-CB 3.32Å; K74-K95 WeakPolarHBondContact O-CG 3.49Å; K74-K95 PolarHBondContact O-N 3.46Å; K74-D101 VanDerWaalsContact CE-OD1 3.25Å; K74-D101 WeakPolarHBondContact CE-OD1 2.88Å; K74-D101 WeakPolarHBondContact CE-OD2 3.01Å; K74-D101 IonicContact NZ-OD1 3.42Å; K74-D101 PolarHBondContact NZ-OD1 3.31Å; K74-D101 IonicContact NZ-OD2 3.78Å; K74-D101 PolarHBondContact NZ-OD2 2.95Å
75F97.9Very high93.7Very high3 Ų374.4 Ų74.41%0.01337%0.367CS..EExtended strand (participates in β ladder)trans-117.3157.8-174.4-52.8-69.3000112.2I63 V69 Q71 A72 L92 H93 I94 W105I63-F75 HydrophobicContact CD1-CE2 4.25Å; I63-F75 HydrophobicContact CD1-CZ 4.41Å; I63-F75 HydrophobicContact CG2-CD1 4.27Å; I63-F75 HydrophobicContact CG2-CD2 3.55Å; I63-F75 HydrophobicContact CG2-CE1 4.33Å; I63-F75 HydrophobicContact CG2-CE2 3.61Å; I63-F75 HydrophobicContact CG2-CG 3.9Å; I63-F75 HydrophobicContact CG2-CZ 4.01Å; V69-F75 HydrophobicContact CB-CB 4.29Å; V69-F75 HydrophobicContact CG1-CB 4.05Å; Q71-F75 HydrophobicContact CB-CD2 3.9Å; Q71-F75 HydrophobicContact CB-CE2 4.15Å; Q71-F75 PolarHBondContact O-N 3.45Å; A72-F75 CarbonylContact C-O 3.55Å; A72-F75 VanDerWaalsContact O-O 3.08Å; F75-L92 HydrophobicContact CB-CD1 3.89Å; F75-L92 HydrophobicContact CD1-CD1 4.49Å; F75-L92 HydrophobicContact CG-CD1 4.37Å; F75-H93 CarbonylContact C-O 3.53Å; F75-H93 VanDerWaalsContact CA-O 3.3Å; F75-H93 WeakPolarHBondContact CA-O 3.5Å; F75-I94 HydrophobicContact CD1-CB 4.41Å; F75-I94 HydrophobicContact CD1-CG1 4.08Å; F75-I94 HydrophobicContact CD1-CG2 4.44Å; F75-I94 HydrophobicContact CE1-CB 4.4Å; F75-I94 HydrophobicContact CE1-CG1 3.95Å; F75-I94 HydrophobicContact CE1-CG2 4.09Å; F75-W105 AromaticContact CE1-CH2 3.76Å; F75-W105 HydrophobicContact CE1-CH2 3.76Å; F75-W105 AromaticContact CZ-CH2 3.98Å; F75-W105 HydrophobicContact CZ-CH2 3.98Å
76H97.3Very high93.3Very high94 Ų9476 Ų7644%0.43538%0.376SS..EExtended strand (participates in β ladder)trans-139.9133.9168.5176.8-104.8000107.8I78 H93H76-I78 VanDerWaalsContact CE1-CG1 3.42Å; H76-I78 WeakPolarHBondContact CE1-CG1 3.19Å; H76-H93 HydrophobicContact CB-CB 4.27Å; H76-H93 PolarHBondContact N-O 3.38Å; H76-H93 AromaticContact ND1-CD2 3.85Å; H76-H93 PolarHBondContact O-CD2 2.95Å; H76-H93 PolarHBondContact O-N 2.81Å
77L97.3Very high93.2Very high20 Ų2071.1 Ų71.111%0.10536%0.355CS..EExtended strand (participates in β ladder)trans-118.4129.6-178.2177.561.4000109.4F56 V69 E91 L92F56-L77 HydrophobicContact CD2-CD1 4.37Å; F56-L77 HydrophobicContact CE2-CD1 3.92Å; V69-L77 HydrophobicContact CG1-CB 3.5Å; V69-L77 VanDerWaalsContact CG1-CB 3.5Å; V69-L77 HydrophobicContact CG1-CD2 4.4Å; L77-E91 WeakPolarHBondContact CA-O 3.24Å; L77-E91 WeakPolarHBondContact CD1-O 3.43Å; L77-L92 HydrophobicContact CB-CD1 4.29Å; L77-L92 HydrophobicContact CD1-CB 4.2Å; L77-L92 HydrophobicContact CD1-CD1 4.49Å
78I96.5Very high93.1Very high58 Ų5875.5 Ų75.530%0.29737%0.372SS..EExtended strand (participates in β ladder)trans-110.9135172.5-57-179.6000107.9H76 E80 Y90 E91 H93H76-I78 VanDerWaalsContact CE1-CG1 3.42Å; H76-I78 WeakPolarHBondContact CE1-CG1 3.19Å; I78-E80 HydrophobicContact CG2-CG 4.32Å; I78-Y90 CarbonylContact O-C 3.43Å; I78-Y90 WeakPolarHBondContact O-CA 3.42Å; I78-E91 HydrophobicContact CB-CB 4.37Å; I78-E91 PolarHBondContact N-O 3.4Å; I78-E91 PolarHBondContact O-N 3.35Å; I78-H93 VanDerWaalsContact CD1-NE2 3.32Å; I78-H93 WeakPolarHBondContact CD1-NE2 3.34Å
79C94.4Very high93Very high6 Ų670.4 Ų70.44%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-119.9134.9174.8-71.10000109.7C67 P81 N82 A87 T89 Y90C67-C79 WeakPolarHBondContact CA-SG 3.34Å; C67-C79 HydrophobicContact CB-CB 3.93Å; C67-C79 WeakPolarHBondContact CB-SG 3.37Å; C67-C79 WeakPolarHBondContact SG-CB 3.33Å; C67-C79 CovalentContact SG-SG 2.01Å; C67-C79 PolarHBondContact SG-SG 2.81Å; C79-P81 CarbonylContact C-O 3.4Å; C79-P81 CarbonylContact O-C 3.15Å; C79-N82 WeakPolarHBondContact O-CA 3.4Å; C79-N82 PolarHBondContact O-N 3.24Å; C79-A87 HydrophobicContact CB-CB 3.87Å; C79-T89 WeakPolarHBondContact CA-O 3.05Å; C79-Y90 HydrophobicContact CB-CD1 4.47Å; C79-Y90 WeakPolarHBondContact SG-CD1 3.24Å; C79-Y90 VanDerWaalsContact SG-CE1 3.55Å
80E92.8Very high92.9Very high101 Ų10169.7 Ų69.747%0.47235%0.347SS..EExtended strand (participates in β ladder)trans-125.7115.9179.5-65.1-175.8165.800110.7I78 A87 E88 T89I78-E80 HydrophobicContact CG2-CG 4.32Å; E80-A87 CarbonylContact O-C 3.43Å; E80-A87 WeakPolarHBondContact O-CA 3.48Å; E80-E88 PolarHBondContact O-N 3.41Å; E80-T89 PolarHBondContact N-O 2.78Å; E80-T89 PolarHBondContact O-N 2.79Å
81P90Very high92.9Very high65 Ų6566.2 Ų66.242%0.42234%0.335SS..SBendcis-60165.9-13.426.1-37.9000113.8C79 D83 I86 A87C79-P81 CarbonylContact C-O 3.4Å; C79-P81 CarbonylContact O-C 3.15Å; P81-D83 PolarHBondContact O-N 3.4Å; P81-I86 HydrophobicContact CB-CD1 4.32Å; P81-I86 HydrophobicContact CG-CB 4.33Å; P81-I86 HydrophobicContact CG-CD1 3.58Å; P81-I86 HydrophobicContact CG-CG1 3.69Å; P81-A87 WeakPolarHBondContact O-CB 3.46Å
82N88.8Confident93Very high146 Ų14661.1 Ų61.178%0.78131%0.311SS*.SBendtrans-75.350.5-179.1-169.929.7000113.1C79C79-N82 WeakPolarHBondContact O-CA 3.4Å; C79-N82 PolarHBondContact O-N 3.24Å
83D88.2Confident93.1Very high63 Ų6358.8 Ų58.834%0.33729%0.289SS..SBendtrans-147.1115.9172.2176.1-5.3000107.6P81 Q85 I86 A87P81-D83 PolarHBondContact O-N 3.4Å; D83-Q85 PolarHBondContact O-N 2.86Å; D83-Q85 PolarHBondContact OD1-N 3.44Å; D83-I86 HydrophobicContact CB-CD1 4.21Å; D83-I86 HydrophobicContact CB-CG1 3.74Å; D83-I86 PolarHBondContact O-N 3.22Å; D83-I86 VanDerWaalsContact O-N 3.11Å; D83-A87 WeakPolarHBondContact O-CA 3.47Å; D83-A87 WeakPolarHBondContact O-CB 3.4Å; D83-A87 PolarHBondContact O-N 2.74Å
84W87.4Confident93.2Very high60 Ų6049.7 Ų49.723%0.22725%0.247CC..THydrogen-bonded Turntrans-59.1-23-174.568.5-91.7000114.1T50 A53 K66 C67 Y90T50-W84 WeakPolarHBondContact O-CZ3 3.49Å; A53-W84 HydrophobicContact CB-CE3 3.82Å; A53-W84 HydrophobicContact CB-CZ3 4.1Å; K66-W84 HydrophobicContact CB-CB 4.3Å; K66-W84 HydrophobicContact CB-CD2 4.12Å; K66-W84 HydrophobicContact CB-CG 3.9Å; K66-W84 HydrophobicContact CG-CD2 3.99Å; K66-W84 HydrophobicContact CG-CE3 4.22Å; K66-W84 HydrophobicContact CG-CG 4.31Å; C67-W84 HydrophobicContact CB-CB 4.15Å; C67-W84 VanDerWaalsContact SG-CA 3.5Å; C67-W84 WeakPolarHBondContact SG-CB 3.44Å; W84-Y90 PolarHBondContact O-OH 3.4Å
85Q86.6Confident93.3Very high84 Ų8451.8 Ų51.839%0.39326%0.256SS..THydrogen-bonded Turntrans-70.2-36.1-179.7-61.9-176.719.300111.6R47 D83R47-Q85 PolarHBondContact NH1-O 3.49Å; D83-Q85 PolarHBondContact O-N 2.86Å; D83-Q85 PolarHBondContact OD1-N 3.44Å
86I86.8Confident93.2Very high98 Ų9854.7 Ų54.750%0.50328%0.277SS..THydrogen-bonded Turntrans-115.6-9.1-174.854.3161.6000113.6P81 D83 E88P81-I86 HydrophobicContact CB-CD1 4.32Å; P81-I86 HydrophobicContact CG-CB 4.33Å; P81-I86 HydrophobicContact CG-CD1 3.58Å; P81-I86 HydrophobicContact CG-CG1 3.69Å; D83-I86 HydrophobicContact CB-CD1 4.21Å; D83-I86 HydrophobicContact CB-CG1 3.74Å; D83-I86 PolarHBondContact O-N 3.22Å; D83-I86 VanDerWaalsContact O-N 3.11Å; I86-E88 PolarHBondContact O-N 2.88Å
87A89.3Confident93.1Very high0 Ų050.2 Ų50.20%026%0.256CS..  trans-57.1117.6179.500000111.6R47 C79 E80 P81 D83 Y90R47-A87 PolarHBondContact NH1-O 3.44Å; R47-A87 PolarHBondContact NH2-O 2.86Å; C79-A87 HydrophobicContact CB-CB 3.87Å; E80-A87 CarbonylContact O-C 3.43Å; E80-A87 WeakPolarHBondContact O-CA 3.48Å; P81-A87 WeakPolarHBondContact O-CB 3.46Å; D83-A87 WeakPolarHBondContact O-CA 3.47Å; D83-A87 WeakPolarHBondContact O-CB 3.4Å; D83-A87 PolarHBondContact O-N 2.74Å; A87-Y90 HydrophobicContact CB-CE1 3.95Å; A87-Y90 HydrophobicContact CB-CE2 4.13Å; A87-Y90 WeakPolarHBondContact O-CE2 3.48Å; A87-Y90 VanDerWaalsContact O-CZ 3.31Å; A87-Y90 PolarHBondContact O-OH 3.25Å; A87-Y90 VanDerWaalsContact O-OH 3.07Å
88E89.7Confident93Very high123 Ų12351 Ų5158%0.57526%0.263SS*.  trans-90.4-28.9179.7-64.4-176.916900112.5I43 E80 I86I43-E88 PolarHBondContact N-O 3.38Å; E80-E88 PolarHBondContact O-N 3.41Å; I86-E88 PolarHBondContact O-N 2.88Å
89T92.9Very high92.8Very high18 Ų1848.4 Ų48.411%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-117.4134.8178.8-630000110.3R40 Q42 C79 E80 E91R40-T89 HydrophobicContact CG-CG2 4.1Å; Q42-T89 HydrophobicContact CG-CG2 4.3Å; C79-T89 WeakPolarHBondContact CA-O 3.05Å; E80-T89 PolarHBondContact N-O 2.78Å; E80-T89 PolarHBondContact O-N 2.79Å; T89-E91 HydrophobicContact CG2-CG 4.12Å
90Y95.2Very high92.8Very high1 Ų149.6 Ų49.60%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-126.7122.5176.3-58.6-103.7000109.3R40 C41 I43 V54 I78 C79 W84 A87R40-Y90 CarbonylContact C-O 3.54Å; R40-Y90 WeakPolarHBondContact CA-O 3.49Å; C41-Y90 PolarHBondContact N-O 3.4Å; C41-Y90 PolarHBondContact O-N 3.35Å; I43-Y90 HydrophobicContact CD1-CE2 4.26Å; V54-Y90 HydrophobicContact CB-CD1 4.05Å; V54-Y90 HydrophobicContact CB-CD2 4.01Å; V54-Y90 HydrophobicContact CB-CE1 3.8Å; V54-Y90 HydrophobicContact CB-CE2 3.76Å; V54-Y90 HydrophobicContact CB-CG 4.16Å; V54-Y90 HydrophobicContact CG1-CD1 4.31Å; V54-Y90 HydrophobicContact CG1-CD2 4.07Å; V54-Y90 HydrophobicContact CG1-CE2 4.32Å; V54-Y90 HydrophobicContact CG1-CG 4.08Å; V54-Y90 HydrophobicContact CG2-CD2 3.82Å; V54-Y90 HydrophobicContact CG2-CE1 4.17Å; V54-Y90 HydrophobicContact CG2-CE2 3.27Å; V54-Y90 HydrophobicContact CG2-CG 4.47Å; V54-Y90 VanDerWaalsContact CG2-CZ 3.47Å; I78-Y90 CarbonylContact O-C 3.43Å; I78-Y90 WeakPolarHBondContact O-CA 3.42Å; C79-Y90 HydrophobicContact CB-CD1 4.47Å; C79-Y90 WeakPolarHBondContact SG-CD1 3.24Å; C79-Y90 VanDerWaalsContact SG-CE1 3.55Å; W84-Y90 PolarHBondContact O-OH 3.4Å; A87-Y90 HydrophobicContact CB-CE1 3.95Å; A87-Y90 HydrophobicContact CB-CE2 4.13Å; A87-Y90 WeakPolarHBondContact O-CE2 3.48Å; A87-Y90 VanDerWaalsContact O-CZ 3.31Å; A87-Y90 PolarHBondContact O-OH 3.25Å; A87-Y90 VanDerWaalsContact O-OH 3.07Å
91E96.9Very high92.8Very high33 Ų3345 Ų4515%0.15424%0.238CC..EExtended strand (participates in β ladder)trans-116.3104.4179.5-64.5-16216500110.5I38 R40 L77 I78 T89 H93I38-E91 HydrophobicContact CG2-CB 3.79Å; I38-E91 HydrophobicContact CG2-CG 4.28Å; R40-E91 HydrophobicContact CB-CG 4.3Å; R40-E91 WeakPolarHBondContact CD-OE1 3.07Å; R40-E91 HydrophobicContact CG-CG 4.03Å; R40-E91 IonicContact CZ-OE1 3.21Å; R40-E91 IonicContact NE-OE1 2.67Å; R40-E91 PolarHBondContact NE-OE1 2.99Å; L77-E91 WeakPolarHBondContact CA-O 3.24Å; L77-E91 WeakPolarHBondContact CD1-O 3.43Å; I78-E91 HydrophobicContact CB-CB 4.37Å; I78-E91 PolarHBondContact N-O 3.4Å; I78-E91 PolarHBondContact O-N 3.35Å; T89-E91 HydrophobicContact CG2-CG 4.12Å; E91-H93 PolarHBondContact O-CD2 2.85Å; E91-H93 IonicContact OE2-NE2 4Å
92L97.9Very high93Very high0 Ų044.4 Ų44.40%023%0.227CC..EExtended strand (participates in β ladder)trans-89.8108.9174.4-178.969.8000109.5I38 L39 F56 I63 V69 F75 L77 W105I38-L92 CarbonylContact C-O 3.59Å; I38-L92 WeakPolarHBondContact CA-O 3.36Å; L39-L92 HydrophobicContact CB-CB 4.27Å; L39-L92 HydrophobicContact CD1-CD2 4.27Å; L39-L92 PolarHBondContact N-O 3.49Å; L39-L92 PolarHBondContact O-N 2.89Å; F56-L92 HydrophobicContact CB-CD2 3.7Å; F56-L92 HydrophobicContact CD1-CB 4.1Å; F56-L92 HydrophobicContact CD1-CD2 3.87Å; F56-L92 HydrophobicContact CD2-CB 4.03Å; F56-L92 HydrophobicContact CD2-CD2 4.28Å; F56-L92 HydrophobicContact CE1-CB 3.98Å; F56-L92 HydrophobicContact CE2-CB 3.9Å; F56-L92 HydrophobicContact CG-CB 4.11Å; F56-L92 HydrophobicContact CG-CD2 3.7Å; F56-L92 HydrophobicContact CG-CG 4.48Å; F56-L92 HydrophobicContact CZ-CB 3.87Å; I63-L92 HydrophobicContact CG2-CD1 4.42Å; I63-L92 HydrophobicContact CG2-CD2 3.93Å; V69-L92 HydrophobicContact CG1-CD1 3.76Å; F75-L92 HydrophobicContact CB-CD1 3.89Å; F75-L92 HydrophobicContact CD1-CD1 4.49Å; F75-L92 HydrophobicContact CG-CD1 4.37Å; L77-L92 HydrophobicContact CB-CD1 4.29Å; L77-L92 HydrophobicContact CD1-CB 4.2Å; L77-L92 HydrophobicContact CD1-CD1 4.49Å; L92-W105 HydrophobicContact CD2-CE3 4.37Å; L92-W105 HydrophobicContact CD2-CZ3 3.76Å
93H97.9Very high93.3Very high13 Ų1338.5 Ų38.56%0.0620%0.201CC..EExtended strand (participates in β ladder)trans-87.4119.1174.3-56.1-104.1000110.4K36 V37 I38 F75 H76 I78 E91K36-H93 VanDerWaalsContact CE-ND1 3.31Å; K36-H93 WeakPolarHBondContact CE-ND1 3.47Å; K36-H93 PolarHBondContact NZ-ND1 3.42Å; V37-H93 CarbonylContact O-C 3.54Å; V37-H93 WeakPolarHBondContact O-CA 3.3Å; I38-H93 VanDerWaalsContact CD1-CE1 3.46Å; I38-H93 WeakPolarHBondContact CD1-CE1 3.29Å; I38-H93 WeakPolarHBondContact CD1-ND1 3.18Å; I38-H93 WeakPolarHBondContact CG1-ND1 3.02Å; F75-H93 CarbonylContact C-O 3.53Å; F75-H93 VanDerWaalsContact CA-O 3.3Å; F75-H93 WeakPolarHBondContact CA-O 3.5Å; H76-H93 HydrophobicContact CB-CB 4.27Å; H76-H93 PolarHBondContact N-O 3.38Å; H76-H93 AromaticContact ND1-CD2 3.85Å; H76-H93 PolarHBondContact O-CD2 2.95Å; H76-H93 PolarHBondContact O-N 2.81Å; I78-H93 VanDerWaalsContact CD1-NE2 3.32Å; I78-H93 WeakPolarHBondContact CD1-NE2 3.34Å; E91-H93 PolarHBondContact O-CD2 2.85Å; E91-H93 IonicContact OE2-NE2 4Å
94I97.7Very high93.6Very high0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-83.7110.6163.1-48.5-179000106.5K36 V37 L39 F75 S96 V97 W105 L118K36-I94 WeakPolarHBondContact CA-O 3.36Å; K36-I94 WeakPolarHBondContact CG-O 3.43Å; V37-I94 PolarHBondContact N-O 2.95Å; V37-I94 VanDerWaalsContact N-O 3.15Å; V37-I94 PolarHBondContact O-N 3.3Å; L39-I94 HydrophobicContact CD1-CD1 4.34Å; F75-I94 HydrophobicContact CD1-CB 4.41Å; F75-I94 HydrophobicContact CD1-CG1 4.08Å; F75-I94 HydrophobicContact CD1-CG2 4.44Å; F75-I94 HydrophobicContact CE1-CB 4.4Å; F75-I94 HydrophobicContact CE1-CG1 3.95Å; F75-I94 HydrophobicContact CE1-CG2 4.09Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-S96 PolarHBondContact O-N 2.76Å; I94-V97 HydrophobicContact CB-CG2 4.27Å; I94-V97 HydrophobicContact CG2-CG2 3.95Å; I94-W105 HydrophobicContact CD1-CH2 4.01Å; I94-W105 HydrophobicContact CD1-CZ2 3.68Å; I94-L118 HydrophobicContact CD1-CD2 4.06Å
95K96.9Very high94Very high101 Ų10135.4 Ų35.444%0.43919%0.189SC..SBendtrans-62.5-38.8-172.5-70.5172.1175.2178.10112.6A72 Q73 K74A72-K95 PolarHBondContact O-NZ 2.86Å; Q73-K95 VanDerWaalsContact O-CD 3.28Å; Q73-K95 WeakPolarHBondContact O-CD 3.4Å; Q73-K95 PolarHBondContact O-NZ 3.31Å; K74-K95 WeakPolarHBondContact O-CB 3.32Å; K74-K95 WeakPolarHBondContact O-CG 3.49Å; K74-K95 PolarHBondContact O-N 3.46Å
96S96.4Very high94.5Very high65 Ų6531.6 Ų31.646%0.45517%0.172SC..SBendtrans-151.8112.1178.3178.30000107.9G34 I94 S98G34-S96 WeakPolarHBondContact CA-OG 3.33Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-S96 PolarHBondContact O-N 2.76Å; S96-S98 PolarHBondContact O-N 3Å
97V95.4Very high94.8Very high0 Ų027 Ų270%015%0.148CC..  trans-67.6127.8-178.3169.50000109.7V31 I33 G34 Q35 V37 I94 D101 V120V31-V97 HydrophobicContact CG2-CG1 4.27Å; I33-V97 WeakPolarHBondContact CA-O 3.27Å; G34-V97 PolarHBondContact N-O 3.47Å; Q35-V97 WeakPolarHBondContact O-CB 3.26Å; Q35-V97 WeakPolarHBondContact O-CG2 3.37Å; Q35-V97 PolarHBondContact O-N 3.45Å; V37-V97 HydrophobicContact CB-CG2 3.87Å; V37-V97 HydrophobicContact CG2-CG2 3.54Å; I94-V97 HydrophobicContact CB-CG2 4.27Å; I94-V97 HydrophobicContact CG2-CG2 3.95Å; V97-D101 HydrophobicContact CG1-CB 4.35Å; V97-V120 HydrophobicContact CG1-CB 4.39Å; V97-V120 HydrophobicContact CG1-CG1 3.76Å; V97-V120 HydrophobicContact CG1-CG2 3.63Å
98S94.7Very high95Very high35 Ų3528 Ų2825%0.24515%0.153CC..  trans-103.4167168.378.90000111.2S96 A100 D101S96-S98 PolarHBondContact O-N 3Å; S98-A100 PolarHBondContact O-N 3.02Å; S98-A100 PolarHBondContact OG-N 2.92Å; S98-D101 PolarHBondContact N-OD2 3.26Å; S98-D101 WeakPolarHBondContact O-CB 3.39Å; S98-D101 PolarHBondContact O-N 3.32Å; S98-D101 PolarHBondContact OG-OD2 3.48Å
99W94.1Very high94.9Very high5 Ų522.7 Ų22.72%0.01913%0.128CC..G310 helixtrans-56.4-35.2174.9-174.9-116.2000113.1I33 D101 R102 V120 A122 H208 N244 I246 M248I33-W99 HydrophobicContact CD1-CB 4Å; I33-W99 HydrophobicContact CD1-CE3 4.36Å; W99-D101 PolarHBondContact O-N 3.02Å; W99-R102 VanDerWaalsContact CE2-CD 3.49Å; W99-R102 VanDerWaalsContact CZ2-NE 3.31Å; W99-R102 VanDerWaalsContact CZ2-NH1 3.34Å; W99-R102 WeakPolarHBondContact O-CB 3.4Å; W99-R102 WeakPolarHBondContact O-CD 3.32Å; W99-R102 WeakPolarHBondContact O-CG 3.46Å; W99-R102 PolarHBondContact O-N 3.49Å; W99-V120 HydrophobicContact CE3-CB 4.47Å; W99-V120 HydrophobicContact CE3-CG1 4.37Å; W99-V120 VanDerWaalsContact CZ3-O 3.26Å; W99-V120 WeakPolarHBondContact CZ3-O 3.48Å; W99-A122 HydrophobicContact CE3-CB 3.93Å; W99-A122 HydrophobicContact CZ3-CB 4.07Å; W99-H208 HydrophobicContact CH2-CB 3.28Å; W99-H208 AromaticContact CH2-CD2 3.64Å; W99-H208 AromaticContact CH2-CG 3.33Å; W99-H208 AromaticContact CH2-ND1 3.93Å; W99-H208 HydrophobicContact CZ2-CB 4.11Å; W99-H208 HydrophobicContact CZ3-CB 3.64Å; W99-H208 AromaticContact CZ3-CG 3.96Å; W99-N244 VanDerWaalsContact CB-O 3.27Å; W99-N244 WeakPolarHBondContact CB-O 3.02Å; W99-I246 WeakPolarHBondContact CZ2-O 3.44Å; W99-I246 PolarHBondContact NE1-O 3.38Å; W99-M248 HydrophobicContact CB-CE 3.79Å; W99-M248 HydrophobicContact CD2-CE 3.2Å; W99-M248 HydrophobicContact CD2-CG 4.43Å; W99-M248 HydrophobicContact CE3-CE 3.61Å; W99-M248 HydrophobicContact CG-CE 3.3Å; W99-M248 HydrophobicContact CH2-CG 4.44Å; W99-M248 HydrophobicContact CZ2-CE 4.28Å; W99-M248 HydrophobicContact CZ2-CG 3.84Å; W99-M248 HydrophobicContact CZ3-CE 4.3Å
100A92.5Very high94.5Very high30 Ų3024.2 Ų24.225%0.24814%0.142CC..G310 helixtrans-66.5-22.3-179.800000112.9H58 S98 R102H58-A100 PolarHBondContact CE1-O 2.8Å; S98-A100 PolarHBondContact O-N 3.02Å; S98-A100 PolarHBondContact OG-N 2.92Å; A100-R102 PolarHBondContact O-N 3.47Å
101D93.6Very high93.9Very high5 Ų528.9 Ų28.93%0.02718%0.181CC..G310 helixtrans-75.7-10.5178.9-65.1-46.8000113.3H58 K74 V97 S98 W99 W105 L118H58-D101 PolarHBondContact NE2-O 3.11Å; K74-D101 VanDerWaalsContact CE-OD1 3.25Å; K74-D101 WeakPolarHBondContact CE-OD1 2.88Å; K74-D101 WeakPolarHBondContact CE-OD2 3.01Å; K74-D101 IonicContact NZ-OD1 3.42Å; K74-D101 PolarHBondContact NZ-OD1 3.31Å; K74-D101 IonicContact NZ-OD2 3.78Å; K74-D101 PolarHBondContact NZ-OD2 2.95Å; V97-D101 HydrophobicContact CG1-CB 4.35Å; S98-D101 PolarHBondContact N-OD2 3.26Å; S98-D101 WeakPolarHBondContact O-CB 3.39Å; S98-D101 PolarHBondContact O-N 3.32Å; S98-D101 PolarHBondContact OG-OD2 3.48Å; W99-D101 PolarHBondContact O-N 3.02Å; D101-W105 HydrophobicContact CB-CZ2 4.23Å; D101-W105 PolarHBondContact O-NE1 2.94Å; D101-L118 HydrophobicContact CB-CD2 4.43Å
102R94.4Very high93.4Very high53 Ų5330.6 Ų30.620%0.219%0.192CC..  trans-61.5160.417978.6-171170.8120.23.3112.5H58 W99 A100 L118 V120 I246 D247H58-R102 PolarHBondContact NE2-O 3.31Å; W99-R102 VanDerWaalsContact CE2-CD 3.49Å; W99-R102 VanDerWaalsContact CZ2-NE 3.31Å; W99-R102 VanDerWaalsContact CZ2-NH1 3.34Å; W99-R102 WeakPolarHBondContact O-CB 3.4Å; W99-R102 WeakPolarHBondContact O-CD 3.32Å; W99-R102 WeakPolarHBondContact O-CG 3.46Å; W99-R102 PolarHBondContact O-N 3.49Å; A100-R102 PolarHBondContact O-N 3.47Å; R102-L118 WeakPolarHBondContact CA-O 3.45Å; R102-V120 HydrophobicContact CB-CB 4.09Å; R102-V120 HydrophobicContact CB-CG2 3.81Å; R102-I246 PolarHBondContact NH2-O 3.26Å; R102-D247 IonicContact CZ-OD2 3.84Å; R102-D247 IonicContact NH1-OD2 2.69Å; R102-D247 PolarHBondContact NH1-OD2 3.02Å; R102-D247 IonicContact NH2-OD2 2.59Å; R102-D247 PolarHBondContact NH2-OD2 3.1Å
103G94.2Very high93.1Very high22 Ų2236.2 Ų36.223%0.22722%0.216CC..EExtended strand (participates in β ladder)trans89.5-145.5176.100000111.9W105 T117 L118G103-W105 PolarHBondContact O-N 2.93Å; G103-T117 CarbonylContact O-C 3.53Å; G103-T117 WeakPolarHBondContact O-CA 3.41Å; G103-L118 PolarHBondContact N-O 3.41Å; G103-L118 PolarHBondContact O-N 3.41Å
104D95.1Very high92.8Very high57 Ų5736.9 Ų36.931%0.30522%0.221SC..EExtended strand (participates in β ladder)trans-89.1118.6-159.1-64.6-37.9000114H58 K59 K115 T117H58-D104 PolarHBondContact CD2-O 3.44Å; K59-D104 PolarHBondContact N-O 2.91Å; D104-K115 HydrophobicContact CB-CD 4.41Å; D104-K115 HydrophobicContact CB-CG 4.33Å; D104-K115 WeakPolarHBondContact OD1-CE 3.34Å; D104-K115 IonicContact OD1-NZ 3.39Å; D104-K115 PolarHBondContact OD1-NZ 3.36Å; D104-K115 WeakPolarHBondContact OD2-CE 3.38Å; D104-K115 IonicContact OD2-NZ 3.91Å; D104-K115 PolarHBondContact OD2-NZ 2.92Å; D104-T117 PolarHBondContact OD1-OG1 2.91Å
105W96.8Very high92.6Very high0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-102.8145.2170.1-7281000110.1L22 L39 H58 I63 F75 L92 I94 D101 G103 K115 Q116L22-W105 HydrophobicContact CD2-CB 4.45Å; L39-W105 HydrophobicContact CD1-CB 3.88Å; L39-W105 HydrophobicContact CD1-CD2 3.28Å; L39-W105 HydrophobicContact CD1-CE3 3.14Å; L39-W105 HydrophobicContact CD1-CG 3.6Å; L39-W105 HydrophobicContact CD1-CH2 4.47Å; L39-W105 HydrophobicContact CD1-CZ3 3.78Å; H58-W105 HydrophobicContact CB-CD2 3.9Å; H58-W105 HydrophobicContact CB-CE3 3.82Å; H58-W105 HydrophobicContact CB-CH2 3.86Å; H58-W105 HydrophobicContact CB-CZ2 3.91Å; H58-W105 HydrophobicContact CB-CZ3 3.83Å; H58-W105 AromaticContact CD2-CD1 3.66Å; H58-W105 AromaticContact CD2-CD2 3.79Å; H58-W105 AromaticContact CD2-CE2 3.37Å; H58-W105 AromaticContact CD2-CG 3.98Å; H58-W105 AromaticContact CD2-CZ2 3.85Å; H58-W105 AromaticContact CD2-NE1 3.26Å; H58-W105 PolarHBondContact CD2-NE1 3.38Å; H58-W105 VanDerWaalsContact CD2-NE1 3.26Å; H58-W105 AromaticContact CG-CE2 3.73Å; H58-W105 AromaticContact CG-CZ2 3.78Å; H58-W105 AromaticContact NE2-NE1 3.71Å; I63-W105 HydrophobicContact CB-CZ3 4.41Å; I63-W105 HydrophobicContact CG1-CH2 4.22Å; I63-W105 HydrophobicContact CG1-CZ3 3.81Å; I63-W105 HydrophobicContact CG2-CZ3 4.36Å; F75-W105 AromaticContact CE1-CH2 3.76Å; F75-W105 HydrophobicContact CE1-CH2 3.76Å; F75-W105 AromaticContact CZ-CH2 3.98Å; F75-W105 HydrophobicContact CZ-CH2 3.98Å; L92-W105 HydrophobicContact CD2-CE3 4.37Å; L92-W105 HydrophobicContact CD2-CZ3 3.76Å; I94-W105 HydrophobicContact CD1-CH2 4.01Å; I94-W105 HydrophobicContact CD1-CZ2 3.68Å; D101-W105 HydrophobicContact CB-CZ2 4.23Å; D101-W105 PolarHBondContact O-NE1 2.94Å; G103-W105 PolarHBondContact O-N 2.93Å; W105-K115 CarbonylContact O-C 3.57Å; W105-K115 VanDerWaalsContact O-CA 3.3Å; W105-K115 WeakPolarHBondContact O-CA 3.23Å; W105-Q116 PolarHBondContact N-O 2.83Å; W105-Q116 PolarHBondContact O-N 3.02Å
106S95.9Very high92.5Very high5 Ų541 Ų414%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-134.3136.4-177.4-590000111.1F56 R57 K113 T114F56-S106 WeakPolarHBondContact CA-O 3.46Å; R57-S106 PolarHBondContact N-O 3.1Å; R57-S106 PolarHBondContact O-N 3.15Å; S106-K113 WeakPolarHBondContact OG-CE 3.17Å; S106-T114 CarbonylContact C-O 3.59Å; S106-T114 VanDerWaalsContact CA-O 3.26Å; S106-T114 WeakPolarHBondContact CA-O 3.35Å
107C94Very high92.4Very high0 Ų041.2 Ų41.20%024%0.239CC..EExtended strand (participates in β ladder)trans-103.6128.8163.8-177.30000108.2L22 C41 V54 L55 K113 T114L22-C107 HydrophobicContact CB-CB 4.23Å; L22-C107 HydrophobicContact CD1-CB 4.22Å; L22-C107 HydrophobicContact CD2-CB 4.37Å; C41-C107 HydrophobicContact CB-CB 3.71Å; C41-C107 WeakPolarHBondContact CB-SG 3.22Å; C41-C107 WeakPolarHBondContact SG-CB 3.42Å; C41-C107 CovalentContact SG-SG 2.02Å; C41-C107 PolarHBondContact SG-SG 2.89Å; V54-C107 WeakPolarHBondContact CG1-SG 3.34Å; L55-C107 WeakPolarHBondContact O-CA 3.39Å; C107-K113 WeakPolarHBondContact O-CA 3.32Å; C107-T114 PolarHBondContact N-O 2.94Å; C107-T114 PolarHBondContact O-N 2.82Å; C107-T114 PolarHBondContact O-OG1 3.34Å
108I92.3Very high92.4Very high21 Ų2141.2 Ų41.211%0.10824%0.239CC..EExtended strand (participates in β ladder)trans-124.2133.1-173.2-56.2171.3000108.8V54 L55 R57 N112 K113V54-I108 WeakPolarHBondContact CA-O 3.38Å; L55-I108 HydrophobicContact CB-CB 4.46Å; L55-I108 HydrophobicContact CD1-CB 4.45Å; L55-I108 HydrophobicContact CD1-CG2 4.46Å; L55-I108 PolarHBondContact N-O 2.73Å; L55-I108 PolarHBondContact O-N 2.76Å; R57-I108 HydrophobicContact CB-CD1 4.02Å; I108-N112 WeakPolarHBondContact CA-O 3.33Å; I108-K113 HydrophobicContact CG1-CB 4.34Å; I108-K113 HydrophobicContact CG1-CD 4.48Å; I108-K113 HydrophobicContact CG1-CG 4.05Å
109Y88.3Confident92.4Very high12 Ų1243.4 Ų43.45%0.04725%0.245CC..EExtended strand (participates in β ladder)trans-140.1119.9173177.7-103.1000109.5I43 S49 Y52 V54 A111 N112I43-Y109 HydrophobicContact CD1-CD2 3.84Å; I43-Y109 HydrophobicContact CD1-CE2 4.38Å; I43-Y109 HydrophobicContact CD1-CG 3.91Å; S49-Y109 PolarHBondContact O-OH 3.03Å; Y52-Y109 WeakPolarHBondContact O-CE2 3.4Å; V54-Y109 HydrophobicContact CG2-CD2 3.99Å; Y109-A111 PolarHBondContact O-N 3.44Å; Y109-N112 PolarHBondContact N-O 2.9Å; Y109-N112 WeakPolarHBondContact O-CA 3.41Å; Y109-N112 WeakPolarHBondContact O-CB 3.33Å; Y109-N112 PolarHBondContact O-N 3.49Å
110A84.1Confident92.4Very high50 Ų5043.3 Ų43.341%0.41325%0.245SC..THydrogen-bonded Turntrans51.1-117.7-173.300000112.2Y52Y52-A110 HydrophobicContact CD1-CB 3.99Å; Y52-A110 HydrophobicContact CD2-CB 3.88Å; Y52-A110 HydrophobicContact CE1-CB 4.37Å; Y52-A110 HydrophobicContact CE2-CB 4.27Å; Y52-A110 HydrophobicContact CG-CB 3.73Å
111A83.2Confident92.5Very high100 Ų10043.5 Ų43.583%0.82624%0.24SC*.THydrogen-bonded Turntrans-89.8-5.9176.900000113.8Y109Y109-A111 PolarHBondContact O-N 3.44Å
112N86.7Confident92.6Very high69 Ų6943.6 Ų43.637%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-98.4138.5-169.8-81.1-11.9000111.1F20 I108 Y109F20-N112 HydrophobicContact CD1-CB 4.13Å; F20-N112 HydrophobicContact CE1-CB 3.49Å; F20-N112 VanDerWaalsContact CE1-CB 3.49Å; F20-N112 HydrophobicContact CE2-CB 4.07Å; F20-N112 HydrophobicContact CZ-CB 3.48Å; F20-N112 VanDerWaalsContact CZ-CB 3.48Å; I108-N112 WeakPolarHBondContact CA-O 3.33Å; Y109-N112 PolarHBondContact N-O 2.9Å; Y109-N112 WeakPolarHBondContact O-CA 3.41Å; Y109-N112 WeakPolarHBondContact O-CB 3.33Å; Y109-N112 PolarHBondContact O-N 3.49Å
113K90.2Very high92.5Very high118 Ų11843.5 Ų43.551%0.51325%0.248SC..EExtended strand (participates in β ladder)trans-137.5134.1-179.4176.8-176.8-179.8-175.90111.9S106 C107 I108S106-K113 WeakPolarHBondContact OG-CE 3.17Å; C107-K113 WeakPolarHBondContact O-CA 3.32Å; I108-K113 HydrophobicContact CG1-CB 4.34Å; I108-K113 HydrophobicContact CG1-CD 4.48Å; I108-K113 HydrophobicContact CG1-CG 4.05Å
114T92.8Very high92.4Very high27 Ų2742.6 Ų42.617%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-120.1139.6172460000108.3F20 S106 C107F20-T114 HydrophobicContact CD1-CG2 4.49Å; F20-T114 HydrophobicContact CD2-CG2 3.55Å; F20-T114 HydrophobicContact CE1-CG2 4.14Å; F20-T114 HydrophobicContact CE2-CG2 3.21Å; F20-T114 WeakPolarHBondContact CE2-OG1 3.07Å; F20-T114 HydrophobicContact CG-CG2 4.17Å; F20-T114 HydrophobicContact CZ-CG2 3.47Å; F20-T114 VanDerWaalsContact CZ-CG2 3.47Å; F20-T114 VanDerWaalsContact O-CG2 3.3Å; F20-T114 WeakPolarHBondContact O-CG2 3.4Å; S106-T114 CarbonylContact C-O 3.59Å; S106-T114 VanDerWaalsContact CA-O 3.26Å; S106-T114 WeakPolarHBondContact CA-O 3.35Å; C107-T114 PolarHBondContact N-O 2.94Å; C107-T114 PolarHBondContact O-N 2.82Å; C107-T114 PolarHBondContact O-OG1 3.34Å
115K93.6Very high92.3Very high109 Ų10947 Ų4747%0.47425%0.254SS..EExtended strand (participates in β ladder)trans-124.8138.8-170.5-174.3-171.7-179.9-165.20109.4D104 W105D104-K115 HydrophobicContact CB-CD 4.41Å; D104-K115 HydrophobicContact CB-CG 4.33Å; D104-K115 WeakPolarHBondContact OD1-CE 3.34Å; D104-K115 IonicContact OD1-NZ 3.39Å; D104-K115 PolarHBondContact OD1-NZ 3.36Å; D104-K115 WeakPolarHBondContact OD2-CE 3.38Å; D104-K115 IonicContact OD2-NZ 3.91Å; D104-K115 PolarHBondContact OD2-NZ 2.92Å; W105-K115 CarbonylContact O-C 3.57Å; W105-K115 VanDerWaalsContact O-CA 3.3Å; W105-K115 WeakPolarHBondContact O-CA 3.23Å
116Q94.3Very high92.2Very high77 Ų7747.5 Ų47.536%0.3626%0.257SS..EExtended strand (participates in β ladder)trans-137.3135.7171.8-167.968.215.500109.1L22 I24 W105L22-Q116 HydrophobicContact CD2-CB 3.77Å; L22-Q116 HydrophobicContact CG-CB 3.91Å; I24-Q116 HydrophobicContact CD1-CB 4.07Å; I24-Q116 HydrophobicContact CD1-CG 3.26Å; I24-Q116 HydrophobicContact CG1-CB 4.38Å; I24-Q116 HydrophobicContact CG1-CG 3.65Å; W105-Q116 PolarHBondContact N-O 2.83Å; W105-Q116 PolarHBondContact O-N 3.02Å
117T94.7Very high92.2Very high70 Ų7051.8 Ų51.843%0.42928%0.276SS..EExtended strand (participates in β ladder)trans-89.1127.6177.3-53.70000109.4I24 Q29 G103 D104I24-T117 WeakPolarHBondContact CD1-O 3.41Å; Q29-T117 PolarHBondContact NE2-O 3.49Å; Q29-T117 PolarHBondContact OE1-O 2.91Å; G103-T117 CarbonylContact O-C 3.53Å; G103-T117 WeakPolarHBondContact O-CA 3.41Å; D104-T117 PolarHBondContact OD1-OG1 2.91Å
118L95.4Very high92Very high1 Ų161 Ų611%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-93.8106.1172.2-178.763.3000108.9I24 V31 V37 I94 D101 R102 G103 V120I24-L118 HydrophobicContact CD1-CB 4.2Å; I24-L118 HydrophobicContact CD1-CD1 4.12Å; I24-L118 HydrophobicContact CG2-CD1 4.16Å; V31-L118 HydrophobicContact CG2-CD1 3.82Å; V31-L118 HydrophobicContact CG2-CG 4.42Å; V37-L118 HydrophobicContact CG1-CD1 4.09Å; V37-L118 HydrophobicContact CG2-CD1 4.44Å; I94-L118 HydrophobicContact CD1-CD2 4.06Å; D101-L118 HydrophobicContact CB-CD2 4.43Å; R102-L118 WeakPolarHBondContact CA-O 3.45Å; G103-L118 PolarHBondContact N-O 3.41Å; G103-L118 PolarHBondContact O-N 3.41Å; L118-V120 HydrophobicContact CD2-CG2 4.2Å; L118-V120 HydrophobicContact CG-CG2 3.93Å
119E94.1Very high92.1Very high80 Ų8060.9 Ų60.937%0.37432%0.316SS..  trans-83.6125.3171.9-164.2-178.2173.900110.1P30 V31 Y121P30-E119 HydrophobicContact CB-CB 3.93Å; P30-E119 HydrophobicContact CB-CG 3.77Å; V31-E119 WeakPolarHBondContact CG2-O 3.28Å; V31-E119 PolarHBondContact N-O 2.89Å; E119-Y121 HydrophobicContact CG-CE1 4.45Å; E119-Y121 WeakPolarHBondContact OE1-CE1 3.47Å
120V95Very high92.2Very high4 Ų461.9 Ų61.92%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-120.9133.2-176.6-1760000108.9V31 I33 V97 W99 R102 L118V31-V120 HydrophobicContact CG2-CG2 4.05Å; V31-V120 CarbonylContact O-C 3.57Å; V31-V120 VanDerWaalsContact O-CA 3.28Å; V31-V120 WeakPolarHBondContact O-CA 3.49Å; I33-V120 HydrophobicContact CG1-CG1 3.72Å; V97-V120 HydrophobicContact CG1-CB 4.39Å; V97-V120 HydrophobicContact CG1-CG1 3.76Å; V97-V120 HydrophobicContact CG1-CG2 3.63Å; W99-V120 HydrophobicContact CE3-CB 4.47Å; W99-V120 HydrophobicContact CE3-CG1 4.37Å; W99-V120 VanDerWaalsContact CZ3-O 3.26Å; W99-V120 WeakPolarHBondContact CZ3-O 3.48Å; R102-V120 HydrophobicContact CB-CB 4.09Å; R102-V120 HydrophobicContact CB-CG2 3.81Å; L118-V120 HydrophobicContact CD2-CG2 4.2Å; L118-V120 HydrophobicContact CG-CG2 3.93Å
121Y95Very high92.5Very high34 Ų3461.2 Ų61.213%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-101.7136.7172-81.89.4000110.3P30 V31 L32 I33 E119 P209 P277 Q278P30-Y121 HydrophobicContact CB-CD1 3.66Å; P30-Y121 HydrophobicContact CB-CD2 4.3Å; P30-Y121 HydrophobicContact CB-CE1 3.74Å; P30-Y121 HydrophobicContact CB-CE2 4.38Å; P30-Y121 HydrophobicContact CB-CG 3.98Å; P30-Y121 HydrophobicContact CG-CD1 3.6Å; P30-Y121 HydrophobicContact CG-CD2 3.55Å; P30-Y121 HydrophobicContact CG-CE1 3.34Å; P30-Y121 HydrophobicContact CG-CE2 3.29Å; P30-Y121 HydrophobicContact CG-CG 3.73Å; V31-Y121 PolarHBondContact O-N 3.01Å; L32-Y121 WeakPolarHBondContact CA-O 3.15Å; I33-Y121 PolarHBondContact N-O 3.48Å; E119-Y121 HydrophobicContact CG-CE1 4.45Å; E119-Y121 WeakPolarHBondContact OE1-CE1 3.47Å; Y121-P209 HydrophobicContact CD1-CG 4.47Å; Y121-P209 HydrophobicContact CE1-CG 3.98Å; Y121-P209 HydrophobicContact CE2-CG 4.1Å; Y121-P277 HydrophobicContact CE2-CB 3.93Å; Y121-P277 HydrophobicContact CE2-CG 3.77Å; Y121-Q278 HydrophobicContact CD2-CB 3.47Å; Y121-Q278 VanDerWaalsContact CD2-CB 3.47Å; Y121-Q278 HydrophobicContact CE2-CB 4.18Å; Y121-Q278 HydrophobicContact CG-CB 4.1Å
122A94.2Very high92.7Very high7 Ų758.2 Ų58.26%0.05829%0.293CS..BIsolated β-bridgetrans-120.488.5178.200000108.3I33 W99 A124 G207 H208 M248I33-A122 HydrophobicContact CD1-CB 3.42Å; I33-A122 VanDerWaalsContact CD1-CB 3.42Å; I33-A122 HydrophobicContact CG1-CB 4.22Å; W99-A122 HydrophobicContact CE3-CB 3.93Å; W99-A122 HydrophobicContact CZ3-CB 4.07Å; A122-A124 PolarHBondContact O-N 2.96Å; A122-A124 VanDerWaalsContact O-N 3.07Å; A122-G207 CarbonylContact O-C 3.55Å; A122-G207 WeakPolarHBondContact O-CA 3.4Å; A122-H208 CarbonylContact C-O 3.59Å; A122-H208 HydrophobicContact CB-CB 4.39Å; A122-H208 PolarHBondContact N-O 2.85Å; A122-H208 PolarHBondContact O-N 2.78Å; A122-M248 HydrophobicContact CB-CE 3.44Å; A122-M248 VanDerWaalsContact CB-CE 3.44Å; A122-M248 HydrophobicContact CB-SD 4.16Å
123P92.9Very high92.4Very high51 Ų5156.9 Ų56.933%0.33129%0.289SS..PPolyproline II helixtrans-57.8117.4179-22.131.9000111.1L32 Q278 Y279L32-P123 HydrophobicContact CD2-CG 3.61Å; P123-Q278 HydrophobicContact CB-CG 4.17Å; P123-Q278 HydrophobicContact CG-CB 4.28Å; P123-Q278 HydrophobicContact CG-CG 4.29Å; P123-Y279 HydrophobicContact CB-CD1 4.35Å; P123-Y279 HydrophobicContact CB-CE1 3.65Å
124A92.8Very high91.6Very high2 Ų253.4 Ų53.42%0.01728%0.276CS..PPolyproline II helixtrans-64.1150.3169.400000110.2A122 T205 Y279 L284A122-A124 PolarHBondContact O-N 2.96Å; A122-A124 VanDerWaalsContact O-N 3.07Å; A124-T205 WeakPolarHBondContact CB-O 3.48Å; A124-Y279 WeakPolarHBondContact CA-OH 3.3Å; A124-Y279 WeakPolarHBondContact CB-OH 3.17Å; A124-Y279 PolarHBondContact N-OH 3.43Å; A124-Y279 PolarHBondContact O-OH 3.31Å; A124-L284 WeakPolarHBondContact O-CD1 3.21Å
125K93.2Very high89.9Confident149 Ų14957.8 Ų57.865%0.64830%0.303SS*.PPolyproline II helixtrans-100.4154.3173.1-62.1178.2-176.7176.70109.3T204 T205K125-T204 CarbonylContact O-C 3.57Å; K125-T204 VanDerWaalsContact O-CA 3.26Å; K125-T204 WeakPolarHBondContact O-CA 3.46Å; K125-T205 HydrophobicContact CB-CG2 4.15Å; K125-T205 PolarHBondContact N-OG1 2.83Å; K125-T205 PolarHBondContact O-N 3.26Å
126L94.4Very high87.7Confident12 Ų1257.7 Ų57.76%0.06332%0.316CS..BIsolated β-bridgetrans-80.4123.7170.3-81.7174.8000110.8C202 T204 V274 L284 R286L126-C202 WeakPolarHBondContact CD2-SG 3.46Å; L126-T204 HydrophobicContact CD2-CG2 4.28Å; L126-V274 HydrophobicContact CD1-CG2 3.95Å; L126-V274 HydrophobicContact CD2-CG2 3.31Å; L126-V274 HydrophobicContact CG-CG2 3.51Å; L126-L284 HydrophobicContact CD1-CB 4.29Å; L126-L284 WeakPolarHBondContact CD1-O 3.37Å; L126-R286 HydrophobicContact CB-CG 3.69Å; L126-R286 HydrophobicContact CD1-CB 4.29Å; L126-R286 HydrophobicContact CD1-CG 3.78Å; L126-R286 HydrophobicContact CG-CG 4.31Å; L126-R286 PolarHBondContact O-NH2 2.99Å
127E94.4Very high85Confident95 Ų9560.1 Ų60.144%0.44433%0.331SS..PPolyproline II helixtrans-67.4172.9169.6-60.5-165.115600110.9M129 A203 T205E127-M129 PolarHBondContact O-N 3.41Å; E127-A203 HydrophobicContact CB-CB 4.39Å; E127-A203 WeakPolarHBondContact CB-O 3.33Å; E127-A203 PolarHBondContact N-O 2.92Å; E127-T205 HydrophobicContact CG-CG2 3.96Å
128K91.3Very high82.2Confident193 Ų19362.3 Ų62.384%0.83935%0.346SS*.PPolyproline II helixtrans-67133.4173.5-173179.4177.8-175.90108.3G130K128-G130 PolarHBondContact O-N 2.96Å
129M92.8Very high79.2Confident19 Ų1966.9 Ų66.99%0.09437%0.374CS..PPolyproline II helixtrans-62124.4177.7-167.7176.4-70.900109.8E127 L200 T201 W215 C272 R286 V288E127-M129 PolarHBondContact O-N 3.41Å; M129-L200 HydrophobicContact CG-CB 4.47Å; M129-L200 HydrophobicContact SD-CB 4.11Å; M129-L200 HydrophobicContact SD-CD1 4.07Å; M129-L200 HydrophobicContact SD-CD2 4.08Å; M129-L200 HydrophobicContact SD-CG 4.32Å; M129-T201 CarbonylContact C-O 3.6Å; M129-T201 WeakPolarHBondContact CA-O 3.18Å; M129-T201 WeakPolarHBondContact CG-O 3.19Å; M129-W215 HydrophobicContact CE-CH2 3.9Å; M129-W215 HydrophobicContact CE-CZ3 3.59Å; M129-W215 HydrophobicContact SD-CH2 4.17Å; M129-W215 HydrophobicContact SD-CZ3 4.02Å; M129-C272 HydrophobicContact CE-CB 3.98Å; M129-C272 WeakPolarHBondContact CE-SG 3.41Å; M129-R286 HydrophobicContact CE-CB 4.17Å; M129-V288 HydrophobicContact CB-CG1 4.35Å; M129-V288 HydrophobicContact CG-CG1 4.41Å; M129-V288 HydrophobicContact SD-CB 4.16Å; M129-V288 HydrophobicContact SD-CG1 3.53Å; M129-V288 VanDerWaalsContact SD-CG1 3.53Å; M129-V288 HydrophobicContact SD-CG2 3.54Å; M129-V288 VanDerWaalsContact SD-CG2 3.54Å
130G91.9Very high76Confident32 Ų3268.6 Ų68.633%0.3339%0.39SS..EExtended strand (participates in β ladder)trans-76.4142.4171.700000110K128 L200 T201K128-G130 PolarHBondContact O-N 2.96Å; G130-L200 WeakPolarHBondContact O-CA 3.38Å; G130-T201 PolarHBondContact N-O 2.82Å; G130-T201 PolarHBondContact O-N 3.35Å
131V90.6Very high72.9Confident36 Ų3674.6 Ų74.622%0.21842%0.422CS..EExtended strand (participates in β ladder)trans-133.5123.1177.9-174.80000108.5Y190 Q199 L200V131-Y190 HydrophobicContact CB-CE2 4.49Å; V131-Y190 HydrophobicContact CG1-CE1 4.24Å; V131-Y190 HydrophobicContact CG1-CE2 4.06Å; V131-Y190 HydrophobicContact CG2-CE2 3.87Å; V131-Y190 WeakPolarHBondContact CG2-OH 3.32Å; V131-Q199 WeakPolarHBondContact CA-O 3.44Å; V131-L200 HydrophobicContact CB-CD2 4.38Å; V131-L200 HydrophobicContact CG1-CD2 4.13Å; V131-L200 HydrophobicContact CG2-CD2 3.72Å
132S87.9Confident69.7Low38 Ų3881.9 Ų81.927%0.26645%0.454SS..EExtended strand (participates in β ladder)trans-128.7155.9177.354.70000111.8I198 Q199S132-I198 WeakPolarHBondContact O-CA 3.1Å; S132-Q199 PolarHBondContact N-O 3.28Å; S132-Q199 PolarHBondContact O-N 3.2Å; S132-Q199 WeakPolarHBondContact OG-CB 3.45Å
133S79Confident66.7Low41 Ų4190 Ų9029%0.28749%0.491SS..EExtended strand (participates in β ladder)trans-65.8129.4173.81600000111.6Y180S133-Y180 VanDerWaalsContact CA-CE2 3.49Å; S133-Y180 WeakPolarHBondContact CA-OH 3.28Å; S133-Y180 WeakPolarHBondContact CB-OH 3.03Å; S133-Y180 PolarHBondContact OG-OH 2.84Å
134L74.2Confident63.6Low44 Ų4492.4 Ų92.423%0.2351%0.509CS..EExtended strand (participates in β ladder)trans-96.3102.7157.2-73.4160.5000107.3S136 G197 I198 Q199 H256L134-S136 PolarHBondContact O-N 3.06Å; L134-G197 PolarHBondContact N-O 3.23Å; L134-I198 VanDerWaalsContact CD1-O 3.24Å; L134-I198 WeakPolarHBondContact CD1-O 3.31Å; L134-Q199 HydrophobicContact CD1-CB 4.24Å; L134-Q199 HydrophobicContact CD2-CB 4.33Å; L134-Q199 HydrophobicContact CG-CB 4.04Å; L134-H256 HydrophobicContact CD1-CB 3.84Å
135T56.4Low60.5Low119 Ų119100.2 Ų100.273%0.7355%0.547SS*.  trans-58.7131161.718.30000107.9L137T135-L137 PolarHBondContact O-N 3.19Å
136S47.2Very low57.4Low108 Ų10898.9 Ų98.976%0.75555%0.546SS*.  trans-32.7131.1-179.454.60000112.4L134 P138L134-S136 PolarHBondContact O-N 3.06Å; S136-P138 VanDerWaalsContact O-N 3.08Å
137L38.6Very low54.4Low128 Ų128108 Ų10867%0.6759%0.585SS**  trans-37.3117-178.2-83.587.7000110.7T135 V139T135-L137 PolarHBondContact O-N 3.19Å; L137-V139 PolarHBondContact O-N 3.01Å; L137-V139 VanDerWaalsContact O-N 3.1Å
138P35.6Very low51.1Low116 Ų116110 Ų11075%0.75360%0.599SS**  trans-64.5119.7169.924.4-28.2000106.8S136 T140S136-P138 VanDerWaalsContact O-N 3.08Å; P138-T140 PolarHBondContact O-N 3.42Å; P138-T140 VanDerWaalsContact O-N 3.15Å
139V31.4Very low48Very low97 Ų97106.1 Ų106.159%0.58860%0.596SS**  trans-41.4123.9164.8177.20000107.2L137 N141L137-V139 PolarHBondContact O-N 3.01Å; L137-V139 VanDerWaalsContact O-N 3.1Å; V139-N141 VanDerWaalsContact C-N 3.33Å; V139-N141 PolarHBondContact O-N 3.17Å
140T27.4Very low45.1Very low116 Ų116110.7 Ų110.771%0.71263%0.629SS**  trans-56.892.9-175.62.30000109.8P138 K142P138-T140 PolarHBondContact O-N 3.42Å; P138-T140 VanDerWaalsContact O-N 3.15Å; T140-K142 PolarHBondContact O-N 3.48Å
141N30.3Very low42.3Very low129 Ų129115 Ų11569%0.6965%0.654SS**  trans-77.685.2165.2-78.2-8.2000106.8V139 E143V139-N141 VanDerWaalsContact C-N 3.33Å; V139-N141 PolarHBondContact O-N 3.17Å; N141-E143 PolarHBondContact O-N 2.99Å
142K28.2Very low40.2Very low187 Ų187118.9 Ų118.981%0.81368%0.68SS**  trans-65.482.3158.2-75.6-176.9174.6-179.40108.2T140T140-K142 PolarHBondContact O-N 3.48Å
143E31.3Very low37.4Very low179 Ų179122.2 Ų122.284%0.83670%0.704SS**  trans-115.466.4157.1-95.1170.6149.800107.8N141N141-E143 PolarHBondContact O-N 2.99Å
144S27.7Very low35Very low100 Ų100128.5 Ų128.570%0.69973%0.729SS**  trans-98.7111.3156.3600000106.5
145M27.4Very low32.7Very low166 Ų166134.1 Ų134.182%0.81876%0.758SS**  -177.1107127.9-96.6-170.2163.100112.4
146I27.4Very low31.3Very low121 Ų121133.8 Ų133.862%0.62176%0.761SS**  70107.9126.9-54.1164.1000118.1
147K31.1Very low30.3Very low204 Ų204133.7 Ų133.789%0.88776%0.76SS**  -168.588.2127.6-109.4176.8178.1179.10108.2
148D26.5Very low29.6Very low138 Ų138132.5 Ų132.574%0.73876%0.762SS**  61.3116.491.2-91.5-23.2000117.1
149S26Very low29.1Very low111 Ų111132 Ų13278%0.77676%0.761SS**  trans68.3109.6143.371.60000120.8
150S32.1Very low28.9Very low114 Ų114132.9 Ų132.980%0.79777%0.772SS**  -175.2105.211756.60000111.9
151S31.6Very low28.8Very low122 Ų122135.5 Ų135.585%0.85378%0.781SS**  trans34.4154.2139.9-52.80000124.4
152P47.8Very low28.7Very low118 Ų118133.9 Ų133.977%0.76679%0.785SS**  trans-108.5150.6-161.538.6-27.1000114.2
153S28Very low28.7Very low109 Ų109131.9 Ų131.976%0.76279%0.789SS**  trans-158.1120.4158.7-78.80000112.3
154E29Very low28.6Very low173 Ų173128.7 Ų128.781%0.80879%0.793SS**  trans64.2109.2134.9-56.8-169.7157.100119
155L26.3Very low28.4Very low161 Ų161127.3 Ų127.384%0.84380%0.795SS**  51.9101.791-80.6153.9000112.7
156S26.9Very low28.3Very low113 Ų113127.3 Ų127.379%0.7980%0.797SS**  trans178.4103.8135.3-77.20000111.5
157S26.4Very low28.2Very low105 Ų105128.2 Ų128.273%0.73480%0.803SS**  trans14.6133133.3340000121.5
158S24.4Very low28.1Very low103 Ų103123.7 Ų123.772%0.7280%0.798SS**  trans78.8117.6133.960.30000120.8
159S24.4Very low28.3Very low105 Ų105121.9 Ų121.973%0.73480%0.802SS**  trans64.6112.2138.867.70000117.9
160S27.2Very low28.4Very low117 Ų117124.2 Ų124.282%0.81881%0.805SS**  178142.996.839.10000110.5
161L25.3Very low28.1Very low171 Ų171123.2 Ų123.290%0.89580%0.798SS**  trans-63160-177.6-80.274.8000112.7
162A28.1Very low28Very low94 Ų94124.2 Ų124.278%0.77779%0.792SS**  trans85.290.8157.300000116.4
163T28.9Very low27.1Very low146 Ų146125.8 Ų125.890%0.89679%0.792SS**  trans-144.3106.4138.7-5.30000108.2G165T163-G165 PolarHBondContact O-N 3.14Å
164A27.8Very low27.1Very low112 Ų112123.5 Ų123.593%0.92679%0.786SS**  trans-62.4117.2166.100000107.9
165G24Very low27.2Very low71 Ų71120.6 Ų120.673%0.73278%0.78SS**  trans-16594.4-177.800000109.1T163 D167T163-G165 PolarHBondContact O-N 3.14Å; G165-D167 PolarHBondContact O-N 3.19Å
166L26.2Very low27.5Very low166 Ų166118 Ų11887%0.86977%0.773SS**  trans-37.1122.8165.6-136.373.7000111
167D24.9Very low28.4Very low139 Ų139116 Ų11674%0.74376%0.757SS**  175.1133.3116.9-85.1-23.8000112G165G165-D167 PolarHBondContact O-N 3.19Å
168S29.7Very low29.2Very low110 Ų110115.4 Ų115.477%0.76975%0.753SS**  trans7567.5165-53.90000117.1L170S168-L170 PolarHBondContact O-N 3.35Å
169A29.2Very low30.3Very low100 Ų100119 Ų11983%0.82676%0.758SS**  trans-49.297.1152.400000111.9
170L29.2Very low31.9Very low160 Ų160115.2 Ų115.284%0.83873%0.728SS**  trans-129.715.4163.7-98.3162.6000112.6S168 I172S168-L170 PolarHBondContact O-N 3.35Å; L170-I172 PolarHBondContact O-N 3.47Å
171S25.5Very low33.7Very low93 Ų93116 Ų11665%0.6572%0.722SS**  trans-96.372.7165.151.10000109.7I173S171-I173 PolarHBondContact O-N 3.39Å
172I28.6Very low36.1Very low142 Ų142108.3 Ų108.373%0.72868%0.684SS**  trans-7375.4160.4-56.5178.1000106.6L170 G174 T175L170-I172 PolarHBondContact O-N 3.47Å; I172-G174 PolarHBondContact O-N 3.31Å; I172-T175 HydrophobicContact CG2-CG2 4.47Å
173I28.6Very low38.9Very low151 Ų151110 Ų11077%0.77468%0.679SS**  trans-71.9109.3162-68169.8000105.4S171S171-I173 PolarHBondContact O-N 3.39Å
174G28.6Very low41.8Very low61 Ų61103.4 Ų103.463%0.62964%0.64SS**  trans56.576.9158.700000115.5I172 P176I172-G174 PolarHBondContact O-N 3.31Å; G174-P176 WeakPolarHBondContact O-CD 3.34Å; G174-P176 VanDerWaalsContact O-N 3.14Å
175T30.2Very low44.9Very low112 Ų112100.9 Ų100.969%0.68761%0.613SS**  trans-59.3116.2148.630.70000106.8I172I172-T175 HydrophobicContact CG2-CG2 4.47Å
176P33.5Very low48.1Very low106 Ų106105.5 Ų105.569%0.68861%0.608SS**  trans-55138.3172.923.7-31.5000107G174 S178G174-P176 WeakPolarHBondContact O-CD 3.34Å; G174-P176 VanDerWaalsContact O-N 3.14Å; P176-S178 PolarHBondContact O-N 3.18Å
177P44.9Very low51.2Low71 Ų71104.1 Ų104.146%0.46161%0.607SS.*  trans-53.5109.7-17121.2-31.5000107.4Q179 Y180P177-Q179 VanDerWaalsContact C-N 3.27Å; P177-Q179 PolarHBondContact O-N 2.89Å; P177-Y180 HydrophobicContact CB-CD2 4.35Å; P177-Y180 HydrophobicContact CB-CE2 4.17Å
178S44Very low54.4Low93 Ų93100.4 Ų100.465%0.6559%0.587SS**  trans-55.799.7174.648.90000105.8P176 Y180P176-S178 PolarHBondContact O-N 3.18Å; S178-Y180 VanDerWaalsContact C-N 3.3Å; S178-Y180 PolarHBondContact O-N 2.87Å
179Q48.1Very low57.5Low178 Ų17896.2 Ų96.283%0.83256%0.557SS**  trans7.375.8165.7-69167.6-14.300112.5P177 I181P177-Q179 VanDerWaalsContact C-N 3.27Å; P177-Q179 PolarHBondContact O-N 2.89Å; Q179-I181 PolarHBondContact O-N 3.22Å; Q179-I181 VanDerWaalsContact O-N 3.08Å
180Y57.1Low60.5Low27 Ų2793.1 Ų93.111%0.10652%0.524CS..  trans-55.7122.2160.3-69.7-77.3000104.1S133 P177 S178 G182 L196 I198S133-Y180 VanDerWaalsContact CA-CE2 3.49Å; S133-Y180 WeakPolarHBondContact CA-OH 3.28Å; S133-Y180 WeakPolarHBondContact CB-OH 3.03Å; S133-Y180 PolarHBondContact OG-OH 2.84Å; P177-Y180 HydrophobicContact CB-CD2 4.35Å; P177-Y180 HydrophobicContact CB-CE2 4.17Å; S178-Y180 VanDerWaalsContact C-N 3.3Å; S178-Y180 PolarHBondContact O-N 2.87Å; Y180-G182 PolarHBondContact O-N 2.98Å; Y180-L196 HydrophobicContact CD1-CD1 4.23Å; Y180-L196 HydrophobicContact CE1-CB 4.31Å; Y180-L196 HydrophobicContact CE1-CD1 4.07Å; Y180-I198 HydrophobicContact CD1-CG2 4.13Å; Y180-I198 HydrophobicContact CD2-CG2 4.42Å; Y180-I198 HydrophobicContact CE1-CG2 4.23Å; Y180-I198 HydrophobicContact CG-CG2 4.24Å
181I65.9Low63.5Low134 Ų13486.6 Ų86.669%0.68749%0.49SS*.SBendtrans-612.2-147.5-67.8165.4000115.1Q179 D191Q179-I181 PolarHBondContact O-N 3.22Å; Q179-I181 VanDerWaalsContact O-N 3.08Å; I181-D191 HydrophobicContact CB-CB 4.25Å
182G75.9Confident66.5Low9 Ų982.2 Ų82.29%0.09346%0.46CS..SBendtrans-134.3175170.100000116.8Y180 G184 N188 P189 Y190Y180-G182 PolarHBondContact O-N 2.98Å; G182-G184 VanDerWaalsContact C-N 3.32Å; G182-N188 CarbonylContact C-O 3.6Å; G182-N188 WeakPolarHBondContact CA-OD1 3.29Å; G182-P189 WeakPolarHBondContact CA-O 2.96Å; G182-Y190 VanDerWaalsContact O-CD1 3.23Å; G182-Y190 WeakPolarHBondContact O-CD1 3.47Å; G182-Y190 WeakPolarHBondContact O-CE1 3.46Å
183L85.6Confident69.3Low130 Ų13080.9 Ų80.968%0.68145%0.445SS*.  trans-89.22.9-176-64.1172.9000113T185 N188L183-T185 HydrophobicContact CB-CG2 4.16Å; L183-T185 PolarHBondContact O-N 2.86Å; L183-N188 CarbonylContact C-O 3.6Å; L183-N188 HydrophobicContact CB-CB 4.48Å; L183-N188 PolarHBondContact N-O 3.38Å
184G90.3Very high71.7Confident6 Ų678.1 Ų78.16%0.06244%0.439CS..SBendtrans72.616-173.900000113.8G182 N188 V288 Y289G182-G184 VanDerWaalsContact C-N 3.32Å; G184-N188 PolarHBondContact N-O 2.03Å; G184-V288 WeakPolarHBondContact O-CA 3.39Å; G184-Y289 PolarHBondContact O-N 2.98Å
185T92.5Very high74.1Confident60 Ų6076.4 Ų76.437%0.36842%0.422SS..BIsolated β-bridgetrans-92162.6175.768.40000110.4L183 T187 N188 P189L183-T185 HydrophobicContact CB-CG2 4.16Å; L183-T185 PolarHBondContact O-N 2.86Å; T185-T187 PolarHBondContact O-N 3.18Å; T185-T187 PolarHBondContact OG1-OG1 3.09Å; T185-N188 PolarHBondContact N-O 2.9Å; T185-N188 VanDerWaalsContact N-O 3.1Å; T185-N188 CarbonylContact O-C 3.58Å; T185-N188 PolarHBondContact O-N 2.69Å; T185-N188 VanDerWaalsContact O-N 3.08Å; T185-N188 WeakPolarHBondContact OG1-CB 3.35Å; T185-N188 PolarHBondContact OG1-N 3.1Å; T185-N188 VanDerWaalsContact OG1-N 3.07Å; T185-P189 WeakPolarHBondContact O-CA 3.38Å
186R91.2Very high76.5Confident168 Ų16874.5 Ų74.563%0.63441%0.408SS*.THydrogen-bonded Turntrans-57.3-35.9179.1-173.2175.1171.3163.6-0.2112.9L267 Y289R186-L267 HydrophobicContact CG-CD2 4.43Å; R186-Y289 HydrophobicContact CB-CD1 4.05Å; R186-Y289 HydrophobicContact CB-CD2 4.04Å; R186-Y289 HydrophobicContact CB-CE1 3.85Å; R186-Y289 HydrophobicContact CB-CE2 3.86Å; R186-Y289 HydrophobicContact CB-CG 4.12Å; R186-Y289 HydrophobicContact CG-CD1 4.14Å; R186-Y289 HydrophobicContact CG-CE1 3.85Å; R186-Y289 VanDerWaalsContact N-CD2 3.28Å
187T91.9Very high79.1Confident136 Ų13669.8 Ų69.883%0.83438%0.378SS*.THydrogen-bonded Turntrans-87.6-16.3179.351.30000113.4T185T185-T187 PolarHBondContact O-N 3.18Å; T185-T187 PolarHBondContact OG1-OG1 3.09Å
188N92.8Very high81.3Confident62 Ų6266.4 Ų66.433%0.33236%0.356SS..BIsolated β-bridgetrans-141.870.8178.6-166.54000110G182 L183 G184 T185G182-N188 CarbonylContact C-O 3.6Å; G182-N188 WeakPolarHBondContact CA-OD1 3.29Å; L183-N188 CarbonylContact C-O 3.6Å; L183-N188 HydrophobicContact CB-CB 4.48Å; L183-N188 PolarHBondContact N-O 3.38Å; G184-N188 PolarHBondContact N-O 2.03Å; T185-N188 PolarHBondContact N-O 2.9Å; T185-N188 VanDerWaalsContact N-O 3.1Å; T185-N188 CarbonylContact O-C 3.58Å; T185-N188 PolarHBondContact O-N 2.69Å; T185-N188 VanDerWaalsContact O-N 3.08Å; T185-N188 WeakPolarHBondContact OG1-CB 3.35Å; T185-N188 PolarHBondContact OG1-N 3.1Å; T185-N188 VanDerWaalsContact OG1-N 3.07Å
189P93.8Very high83.6Confident22 Ų2264.3 Ų64.314%0.14334%0.336CS..  trans-74.7161.8-174.832.3-37.4000111.8G182 T185 D191 L267 Y289 L291G182-P189 WeakPolarHBondContact CA-O 2.96Å; T185-P189 WeakPolarHBondContact O-CA 3.38Å; P189-D191 PolarHBondContact O-N 2.83Å; P189-L267 HydrophobicContact CB-CD1 3.79Å; P189-L267 HydrophobicContact CG-CD1 3.91Å; P189-Y289 CarbonylContact C-O 3.46Å; P189-Y289 WeakPolarHBondContact CA-O 3.13Å; P189-Y289 WeakPolarHBondContact CB-O 3.44Å; P189-L291 HydrophobicContact CB-CB 4.29Å; P189-L291 HydrophobicContact CG-CB 3.88Å
190Y92.9Very high85.8Confident35 Ų3555.8 Ų55.814%0.13730%0.296CS..EExtended strand (participates in β ladder)trans-66.8118.8168.9-63.9-62.8000110.1V131 G182 L192 I198 V288 Y289 I290 L291V131-Y190 HydrophobicContact CB-CE2 4.49Å; V131-Y190 HydrophobicContact CG1-CE1 4.24Å; V131-Y190 HydrophobicContact CG1-CE2 4.06Å; V131-Y190 HydrophobicContact CG2-CE2 3.87Å; V131-Y190 WeakPolarHBondContact CG2-OH 3.32Å; G182-Y190 VanDerWaalsContact O-CD1 3.23Å; G182-Y190 WeakPolarHBondContact O-CD1 3.47Å; G182-Y190 WeakPolarHBondContact O-CE1 3.46Å; Y190-L192 PolarHBondContact O-N 3.49Å; Y190-I198 HydrophobicContact CD2-CD1 4.1Å; Y190-I198 HydrophobicContact CG-CD1 4.37Å; Y190-V288 HydrophobicContact CE2-CB 4.28Å; Y190-V288 HydrophobicContact CE2-CG1 4.43Å; Y190-Y289 PolarHBondContact N-O 2.96Å; Y190-I290 HydrophobicContact CD2-CG2 4.42Å; Y190-I290 CarbonylContact O-C 3.45Å; Y190-I290 WeakPolarHBondContact O-CA 3.25Å; Y190-L291 PolarHBondContact O-N 2.64Å
191D90.8Very high87.7Confident22 Ų2256 Ų5612%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-82.3109.4-179.7-166.5-8.2000111.1I181 P189 R193I181-D191 HydrophobicContact CB-CB 4.25Å; P189-D191 PolarHBondContact O-N 2.83Å; D191-R193 VanDerWaalsContact OD1-CB 3.29Å; D191-R193 WeakPolarHBondContact OD1-CB 3.18Å; D191-R193 WeakPolarHBondContact OD1-CG 3.39Å; D191-R193 IonicContact OD1-CZ 2.9Å; D191-R193 PolarHBondContact OD1-N 3.3Å; D191-R193 VanDerWaalsContact OD1-N 3.1Å; D191-R193 IonicContact OD1-NE 4Å; D191-R193 PolarHBondContact OD1-NE 2.8Å; D191-R193 IonicContact OD1-NH2 3.35Å; D191-R193 IonicContact OD2-CZ 2.73Å; D191-R193 IonicContact OD2-NE 3.38Å; D191-R193 PolarHBondContact OD2-NE 2.83Å; D191-R193 IonicContact OD2-NH2 3.18Å; D191-R193 PolarHBondContact OD2-NH2 3.41Å
192L89.8Confident89.1Confident2 Ų249.7 Ų49.71%0.0127%0.268CS..  trans-1098.2-179.8-53.9-175.5000112.2Y190 S194 G195 L196 I198 V257 I290 L291Y190-L192 PolarHBondContact O-N 3.49Å; L192-S194 PolarHBondContact O-N 2.83Å; L192-G195 PolarHBondContact O-N 2.88Å; L192-G195 VanDerWaalsContact O-N 3.14Å; L192-L196 HydrophobicContact CD2-CB 4.43Å; L192-I198 HydrophobicContact CD1-CD1 4.18Å; L192-I198 HydrophobicContact CD1-CG1 4.08Å; L192-I198 HydrophobicContact CD2-CD1 4.44Å; L192-I198 HydrophobicContact CD2-CG1 4.33Å; L192-I198 HydrophobicContact CD2-CG2 3.6Å; L192-V257 HydrophobicContact CD1-CG1 4.03Å; L192-I290 HydrophobicContact CD1-CB 4.06Å; L192-I290 HydrophobicContact CD1-CD1 4.36Å; L192-I290 HydrophobicContact CD1-CG2 4.22Å; L192-L291 PolarHBondContact N-O 3.43Å
193R86.3Confident90.1Very high113 Ų11350 Ų5043%0.42627%0.27SS..THydrogen-bonded Turntrans-58.7-31.5-176.7-67.1-179-70.4170.9-1113.2D191 G195 L291 A293 L301D191-R193 VanDerWaalsContact OD1-CB 3.29Å; D191-R193 WeakPolarHBondContact OD1-CB 3.18Å; D191-R193 WeakPolarHBondContact OD1-CG 3.39Å; D191-R193 IonicContact OD1-CZ 2.9Å; D191-R193 PolarHBondContact OD1-N 3.3Å; D191-R193 VanDerWaalsContact OD1-N 3.1Å; D191-R193 IonicContact OD1-NE 4Å; D191-R193 PolarHBondContact OD1-NE 2.8Å; D191-R193 IonicContact OD1-NH2 3.35Å; D191-R193 IonicContact OD2-CZ 2.73Å; D191-R193 IonicContact OD2-NE 3.38Å; D191-R193 PolarHBondContact OD2-NE 2.83Å; D191-R193 IonicContact OD2-NH2 3.18Å; D191-R193 PolarHBondContact OD2-NH2 3.41Å; R193-G195 PolarHBondContact O-N 2.77Å; R193-L291 HydrophobicContact CG-CG 4.26Å; R193-A293 HydrophobicContact CB-CB 4.36Å; R193-A293 HydrophobicContact CG-CB 4.39Å; R193-L301 WeakPolarHBondContact O-CD1 3.4Å
194S80.4Confident90.5Very high93 Ų9344 Ų4465%0.6524%0.238SC*.THydrogen-bonded Turntrans-71.811.7178.5-51.20000114.7L192 L196L192-S194 PolarHBondContact O-N 2.83Å; S194-L196 VanDerWaalsContact C-N 3.33Å
195G78Confident90.7Very high26 Ų2645.9 Ų45.927%0.26825%0.249SC..SBendtrans75.721.1-17600000113.6L192 R193 H258L192-G195 PolarHBondContact O-N 2.88Å; L192-G195 VanDerWaalsContact O-N 3.14Å; R193-G195 PolarHBondContact O-N 2.77Å; G195-H258 PolarHBondContact O-NE2 2.9Å
196L81.7Confident90.8Very high72 Ų7244.9 Ų44.938%0.37724%0.244SC..  trans-78.9147.3177-63171.5000110.5Y180 L192 S194Y180-L196 HydrophobicContact CD1-CD1 4.23Å; Y180-L196 HydrophobicContact CE1-CB 4.31Å; Y180-L196 HydrophobicContact CE1-CD1 4.07Å; L192-L196 HydrophobicContact CD2-CB 4.43Å; S194-L196 VanDerWaalsContact C-N 3.33Å
197G87.2Confident91Very high6 Ų636.9 Ų36.96%0.06221%0.214CC..EExtended strand (participates in β ladder)trans-105.5152.7168.900000111.3L134 V257L134-G197 PolarHBondContact N-O 3.23Å; G197-V257 WeakPolarHBondContact CA-O 3.3Å
198I91.3Very high91.1Very high0 Ų033 Ų330%019%0.186CC..EExtended strand (participates in β ladder)trans-127.5148.3168.860.9175.4000110.6S132 L134 Y180 Y190 L192 L200 V257 I290S132-I198 WeakPolarHBondContact O-CA 3.1Å; L134-I198 VanDerWaalsContact CD1-O 3.24Å; L134-I198 WeakPolarHBondContact CD1-O 3.31Å; Y180-I198 HydrophobicContact CD1-CG2 4.13Å; Y180-I198 HydrophobicContact CD2-CG2 4.42Å; Y180-I198 HydrophobicContact CE1-CG2 4.23Å; Y180-I198 HydrophobicContact CG-CG2 4.24Å; Y190-I198 HydrophobicContact CD2-CD1 4.1Å; Y190-I198 HydrophobicContact CG-CD1 4.37Å; L192-I198 HydrophobicContact CD1-CD1 4.18Å; L192-I198 HydrophobicContact CD1-CG1 4.08Å; L192-I198 HydrophobicContact CD2-CD1 4.44Å; L192-I198 HydrophobicContact CD2-CG1 4.33Å; L192-I198 HydrophobicContact CD2-CG2 3.6Å; I198-L200 HydrophobicContact CD1-CD2 3.86Å; I198-L200 HydrophobicContact CD1-CG 4.33Å; I198-L200 HydrophobicContact CG1-CD2 4.43Å; I198-V257 HydrophobicContact CG1-CB 3.87Å; I198-V257 HydrophobicContact CG1-CG1 4.49Å; I198-V257 HydrophobicContact CG1-CG2 4.49Å; I198-V257 PolarHBondContact N-O 3.29Å; I198-V257 VanDerWaalsContact N-O 3.09Å; I198-V257 PolarHBondContact O-N 3.04Å; I198-I290 HydrophobicContact CD1-CG2 3.78Å
199Q92.6Very high91.1Very high49 Ų4931.1 Ų31.123%0.22918%0.177CC..EExtended strand (participates in β ladder)trans-103.4127.3168.3169.6178.610.200108.6V131 S132 L134 N254 L255V131-Q199 WeakPolarHBondContact CA-O 3.44Å; S132-Q199 PolarHBondContact N-O 3.28Å; S132-Q199 PolarHBondContact O-N 3.2Å; S132-Q199 WeakPolarHBondContact OG-CB 3.45Å; L134-Q199 HydrophobicContact CD1-CB 4.24Å; L134-Q199 HydrophobicContact CD2-CB 4.33Å; L134-Q199 HydrophobicContact CG-CB 4.04Å; Q199-N254 PolarHBondContact NE2-OD1 2.83Å; Q199-L255 WeakPolarHBondContact CA-O 3.27Å
200L94.7Very high91Very high0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-104.4133.5174.8-58.5177.8000108.8M129 G130 V131 I198 W215 N254 L255 V257 V270 V288M129-L200 HydrophobicContact CG-CB 4.47Å; M129-L200 HydrophobicContact SD-CB 4.11Å; M129-L200 HydrophobicContact SD-CD1 4.07Å; M129-L200 HydrophobicContact SD-CD2 4.08Å; M129-L200 HydrophobicContact SD-CG 4.32Å; G130-L200 WeakPolarHBondContact O-CA 3.38Å; V131-L200 HydrophobicContact CB-CD2 4.38Å; V131-L200 HydrophobicContact CG1-CD2 4.13Å; V131-L200 HydrophobicContact CG2-CD2 3.72Å; I198-L200 HydrophobicContact CD1-CD2 3.86Å; I198-L200 HydrophobicContact CD1-CG 4.33Å; I198-L200 HydrophobicContact CG1-CD2 4.43Å; L200-W215 HydrophobicContact CB-CH2 3.76Å; L200-W215 HydrophobicContact CB-CZ3 4.05Å; L200-W215 HydrophobicContact CD1-CZ3 4.11Å; L200-N254 CarbonylContact O-C 3.6Å; L200-N254 WeakPolarHBondContact O-CA 3.39Å; L200-L255 HydrophobicContact CB-CB 4.47Å; L200-L255 PolarHBondContact N-O 3.15Å; L200-L255 PolarHBondContact O-N 3.01Å; L200-V257 HydrophobicContact CD1-CG2 3.8Å; L200-V257 HydrophobicContact CG-CG2 4.21Å; L200-V270 HydrophobicContact CD1-CB 4.04Å; L200-V270 HydrophobicContact CD1-CG1 3.64Å; L200-V270 HydrophobicContact CD1-CG2 4.31Å; L200-V288 HydrophobicContact CD1-CG2 3.73Å; L200-V288 HydrophobicContact CD2-CG2 4.02Å
201T95.4Very high90.8Very high31 Ų3133.9 Ų33.919%0.1919%0.185CC..EExtended strand (participates in β ladder)trans-116121.9174.8-54.40000108.5M129 G130 E252 N254M129-T201 CarbonylContact C-O 3.6Å; M129-T201 WeakPolarHBondContact CA-O 3.18Å; M129-T201 WeakPolarHBondContact CG-O 3.19Å; G130-T201 PolarHBondContact N-O 2.82Å; G130-T201 PolarHBondContact O-N 3.35Å; T201-E252 HydrophobicContact CG2-CG 3.7Å; T201-N254 WeakPolarHBondContact CB-OD1 3.41Å; T201-N254 WeakPolarHBondContact CG2-OD1 3.3Å; T201-N254 PolarHBondContact OG1-OD1 3.46Å
202C96.2Very high90.9Very high2 Ų236.7 Ų36.71%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-113.8125.2173.4-174.20000108.2L126 I213 W215 E252 S253 C272L126-C202 WeakPolarHBondContact CD2-SG 3.46Å; C202-I213 HydrophobicContact CB-CD1 4.38Å; C202-I213 HydrophobicContact CB-CG2 4.25Å; C202-I213 WeakPolarHBondContact O-CD1 3.19Å; C202-W215 HydrophobicContact CB-CH2 3.49Å; C202-W215 VanDerWaalsContact CB-CH2 3.49Å; C202-W215 HydrophobicContact CB-CZ2 3.35Å; C202-W215 HydrophobicContact CB-CZ3 4.49Å; C202-E252 CarbonylContact O-C 3.58Å; C202-E252 WeakPolarHBondContact O-CA 3.35Å; C202-S253 PolarHBondContact N-O 2.89Å; C202-S253 PolarHBondContact O-N 3Å; C202-C272 HydrophobicContact CB-CB 3.56Å; C202-C272 WeakPolarHBondContact CB-SG 3.4Å; C202-C272 WeakPolarHBondContact SG-CB 3.26Å; C202-C272 CovalentContact SG-SG 2.05Å; C202-C272 PolarHBondContact SG-SG 2.74Å
203A96Very high91.1Very high16 Ų1636.9 Ų36.913%0.13220%0.201CC..EExtended strand (participates in β ladder)trans-128.5148.2-176.500000110.6E127 T251 E252E127-A203 HydrophobicContact CB-CB 4.39Å; E127-A203 WeakPolarHBondContact CB-O 3.33Å; E127-A203 PolarHBondContact N-O 2.92Å; A203-T251 CarbonylContact C-O 3.06Å; A203-T251 WeakPolarHBondContact CA-O 3.12Å; A203-E252 HydrophobicContact CB-CG 4.5Å
204T95.7Very high91.5Very high2 Ų234.1 Ų34.11%0.01220%0.197CC..BIsolated β-bridgetrans-103.8148.9171.874.60000111K125 L126 A211 I213 T250 T251 V274K125-T204 CarbonylContact O-C 3.57Å; K125-T204 VanDerWaalsContact O-CA 3.26Å; K125-T204 WeakPolarHBondContact O-CA 3.46Å; L126-T204 HydrophobicContact CD2-CG2 4.28Å; T204-A211 HydrophobicContact CG2-CB 4.16Å; T204-I213 HydrophobicContact CG2-CD1 4.08Å; T204-I213 HydrophobicContact CG2-CG1 4.21Å; T204-T250 WeakPolarHBondContact O-CB 3.42Å; T204-T250 WeakPolarHBondContact O-CG2 3.4Å; T204-T251 PolarHBondContact N-O 2.05Å; T204-T251 PolarHBondContact OG1-N 3.16Å; T204-V274 HydrophobicContact CG2-CG1 4.45Å; T204-V274 HydrophobicContact CG2-CG2 3.79Å
205T94.4Very high92.2Very high47 Ų4729.9 Ų29.929%0.28817%0.167SC..  trans-65.2175.2163.467.10000110.6A124 K125 E127 G207A124-T205 WeakPolarHBondContact CB-O 3.48Å; K125-T205 HydrophobicContact CB-CG2 4.15Å; K125-T205 PolarHBondContact N-OG1 2.83Å; K125-T205 PolarHBondContact O-N 3.26Å; E127-T205 HydrophobicContact CG-CG2 3.96Å; T205-G207 PolarHBondContact O-N 3.36Å
206C94.5Very high93Very high38 Ų3830.7 Ų30.726%0.25717%0.165SC..SBendtrans-56.9131.1171.5-650000111.2C239 T245 M248C206-C239 WeakPolarHBondContact CA-SG 3.32Å; C206-C239 HydrophobicContact CB-CB 3.86Å; C206-C239 WeakPolarHBondContact CB-SG 3.19Å; C206-C239 VanDerWaalsContact SG-CA 3.52Å; C206-C239 WeakPolarHBondContact SG-CB 3.38Å; C206-C239 CovalentContact SG-SG 2.03Å; C206-C239 PolarHBondContact SG-SG 3.07Å; C206-T245 HydrophobicContact CB-CG2 4.31Å; C206-M248 HydrophobicContact CB-CB 4.03Å; C206-M248 HydrophobicContact CB-SD 3.9Å
207G94.4Very high93.7Very high1 Ų127.5 Ų27.51%0.0115%0.148CC..BIsolated β-bridgetrans-161.7173.8171.500000113.8A122 T205 M248 T249A122-G207 CarbonylContact O-C 3.55Å; A122-G207 WeakPolarHBondContact O-CA 3.4Å; T205-G207 PolarHBondContact O-N 3.36Å; G207-M248 WeakPolarHBondContact O-CA 3.47Å; G207-M248 WeakPolarHBondContact O-CB 3.5Å; G207-T249 PolarHBondContact N-O 2.9Å; G207-T249 VanDerWaalsContact N-O 3.08Å; G207-T249 PolarHBondContact O-N 2.87Å
208H94.3Very high94Very high53 Ų5329 Ų2925%0.24515%0.154CC..BIsolated β-bridgetrans-148.4140.5-179.6-17490.2000110.8W99 A122 M248W99-H208 HydrophobicContact CH2-CB 3.28Å; W99-H208 AromaticContact CH2-CD2 3.64Å; W99-H208 AromaticContact CH2-CG 3.33Å; W99-H208 AromaticContact CH2-ND1 3.93Å; W99-H208 HydrophobicContact CZ2-CB 4.11Å; W99-H208 HydrophobicContact CZ3-CB 3.64Å; W99-H208 AromaticContact CZ3-CG 3.96Å; A122-H208 CarbonylContact C-O 3.59Å; A122-H208 HydrophobicContact CB-CB 4.39Å; A122-H208 PolarHBondContact N-O 2.85Å; A122-H208 PolarHBondContact O-N 2.78Å; H208-M248 HydrophobicContact CB-CG 4.4Å
209P93.1Very high93.9Very high24 Ų2431 Ų3116%0.15617%0.165CC..SBendcis-69.1178.1-5.431.2-35.2000111Y121 A211 P277 Q278Y121-P209 HydrophobicContact CD1-CG 4.47Å; Y121-P209 HydrophobicContact CE1-CG 3.98Å; Y121-P209 HydrophobicContact CE2-CG 4.1Å; P209-A211 PolarHBondContact O-N 2.9Å; P209-P277 HydrophobicContact CG-CG 3.51Å; P209-Q278 PolarHBondContact O-NE2 2.93Å
210R91.4Very high93.4Very high113 Ų11337.9 Ų37.943%0.42620%0.197SC..  trans-49.7130.6177.5177.7-175.5167.7-176.25.9111I234R210-I234 HydrophobicContact CG-CG2 4.47Å; R210-I234 VanDerWaalsContact NE-CD1 3.35Å
211A89.4Confident92.8Very high2 Ų244.1 Ų44.12%0.01724%0.235CC..  trans-83.9147.7174.100000111.1T204 P209 T251 V274T204-A211 HydrophobicContact CG2-CB 4.16Å; P209-A211 PolarHBondContact O-N 2.9Å; A211-T251 PolarHBondContact O-OG1 2.79Å; A211-V274 HydrophobicContact CB-CG1 3.48Å; A211-V274 VanDerWaalsContact CB-CG1 3.48Å
212N91.4Very high92.2Very high80 Ų8046.5 Ų46.543%0.42825%0.245SC..EExtended strand (participates in β ladder)trans-116.6125.2168.9-82.4-30.8000110.1V274 N275N212-V274 WeakPolarHBondContact O-CA 3.5Å; N212-N275 PolarHBondContact N-O 2.81Å; N212-N275 PolarHBondContact O-N 3.21Å
213I94.3Very high91.9Very high6 Ų651 Ų513%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-89.2133.7175.5-60.3174.7000109.1C202 T204 N232 T251 C272 S273 V274C202-I213 HydrophobicContact CB-CD1 4.38Å; C202-I213 HydrophobicContact CB-CG2 4.25Å; C202-I213 WeakPolarHBondContact O-CD1 3.19Å; T204-I213 HydrophobicContact CG2-CD1 4.08Å; T204-I213 HydrophobicContact CG2-CG1 4.21Å; I213-N232 PolarHBondContact N-ND2 2.88Å; I213-N232 PolarHBondContact O-ND2 2.9Å; I213-T251 HydrophobicContact CD1-CG2 4.12Å; I213-T251 WeakPolarHBondContact CD1-O 3.49Å; I213-T251 HydrophobicContact CG1-CG2 4.15Å; I213-C272 HydrophobicContact CG2-CB 4.09Å; I213-S273 CarbonylContact C-O 3.57Å; I213-S273 VanDerWaalsContact CA-O 3.31Å; I213-S273 WeakPolarHBondContact CA-O 3.35Å; I213-V274 HydrophobicContact CG1-CG2 4.35Å
214T94.7Very high91.6Very high56 Ų5653.9 Ų53.934%0.34428%0.282SS..EExtended strand (participates in β ladder)trans-125.2152.5171.950.80000110.6C272 S273 N275T214-C272 WeakPolarHBondContact O-CA 3.34Å; T214-S273 PolarHBondContact N-O 2.92Å; T214-S273 PolarHBondContact O-N 3.08Å; T214-S273 PolarHBondContact OG1-OG 2.81Å; T214-N275 PolarHBondContact OG1-ND2 3.23Å
215W96.1Very high91.4Very high3 Ų356.9 Ų56.91%0.01131%0.307CS..EExtended strand (participates in β ladder)trans-117.5136.9-178.5-64.491.9000111.4M129 L200 C202 I226 S253 L255 V270 Q271 C272M129-W215 HydrophobicContact CE-CH2 3.9Å; M129-W215 HydrophobicContact CE-CZ3 3.59Å; M129-W215 HydrophobicContact SD-CH2 4.17Å; M129-W215 HydrophobicContact SD-CZ3 4.02Å; L200-W215 HydrophobicContact CB-CH2 3.76Å; L200-W215 HydrophobicContact CB-CZ3 4.05Å; L200-W215 HydrophobicContact CD1-CZ3 4.11Å; C202-W215 HydrophobicContact CB-CH2 3.49Å; C202-W215 VanDerWaalsContact CB-CH2 3.49Å; C202-W215 HydrophobicContact CB-CZ2 3.35Å; C202-W215 HydrophobicContact CB-CZ3 4.49Å; W215-I226 HydrophobicContact CB-CB 4.42Å; W215-I226 PolarHBondContact O-N 2.87Å; W215-S253 PolarHBondContact NE1-OG 2.84Å; W215-L255 HydrophobicContact CB-CD2 4.03Å; W215-L255 HydrophobicContact CD2-CB 3.9Å; W215-L255 HydrophobicContact CD2-CD2 3.69Å; W215-L255 HydrophobicContact CD2-CG 4.38Å; W215-L255 HydrophobicContact CE3-CB 4.21Å; W215-L255 HydrophobicContact CE3-CD2 3.54Å; W215-L255 HydrophobicContact CG-CB 4.33Å; W215-L255 HydrophobicContact CG-CD2 3.93Å; W215-L255 HydrophobicContact CH2-CB 4.26Å; W215-L255 HydrophobicContact CZ2-CB 3.97Å; W215-L255 HydrophobicContact CZ3-CB 4.37Å; W215-L255 HydrophobicContact CZ3-CD2 4.15Å; W215-V270 HydrophobicContact CE3-CG1 3.98Å; W215-V270 HydrophobicContact CZ3-CG1 4.18Å; W215-Q271 WeakPolarHBondContact CA-O 3.35Å; W215-C272 HydrophobicContact CD2-CB 3.94Å; W215-C272 HydrophobicContact CE3-CB 3.67Å; W215-C272 HydrophobicContact CH2-CB 3.83Å; W215-C272 HydrophobicContact CZ2-CB 4.05Å; W215-C272 HydrophobicContact CZ3-CB 3.62Å
216L95.1Very high91.2Very high44 Ų4455.3 Ų55.323%0.2330%0.297CS..EExtended strand (participates in β ladder)trans-128.3142.6174.5-62174000108.9K224 A225 Q271L216-K224 WeakPolarHBondContact CA-O 3.48Å; L216-A225 HydrophobicContact CD2-CB 3.96Å; L216-Q271 HydrophobicContact CB-CB 4.35Å; L216-Q271 PolarHBondContact N-O 2.87Å; L216-Q271 PolarHBondContact O-N 2.89Å
217V94.5Very high90.9Very high4 Ų460.4 Ų60.42%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-113.6129.6162.3165.40000108.8T223 K224 I226 I264 N268 Q269 V270V217-T223 WeakPolarHBondContact O-CA 2.97Å; V217-K224 PolarHBondContact N-O 2.82Å; V217-K224 PolarHBondContact O-N 2.83Å; V217-I226 HydrophobicContact CB-CD1 3.64Å; V217-I226 HydrophobicContact CB-CG1 4.34Å; V217-I226 HydrophobicContact CG2-CD1 3.18Å; V217-I226 HydrophobicContact CG2-CG1 4.21Å; V217-I264 HydrophobicContact CG1-CG2 4.13Å; V217-N268 HydrophobicContact CG1-CB 4.02Å; V217-Q269 WeakPolarHBondContact CA-O 3.41Å; V217-V270 HydrophobicContact CG2-CB 4.23Å; V217-V270 HydrophobicContact CG2-CG1 4.03Å; V217-V270 HydrophobicContact CG2-CG2 3.91Å
218M94.3Very high90.8Very high37 Ų3762 Ų6218%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-123.7136.7-178.8-64.2167.8-72.800109.2M222 T223 Q269 Q271M218-M222 CarbonylContact C-O 3.59Å; M218-M222 WeakPolarHBondContact CA-O 3.41Å; M218-T223 HydrophobicContact CG-CG2 3.81Å; M218-Q269 HydrophobicContact CB-CB 4.42Å; M218-Q269 HydrophobicContact CE-CG 4.02Å; M218-Q269 VanDerWaalsContact CE-NE2 3.33Å; M218-Q269 PolarHBondContact N-O 3.23Å; M218-Q269 PolarHBondContact O-N 2.66Å; M218-Q271 HydrophobicContact CE-CB 3.54Å; M218-Q271 HydrophobicContact CE-CG 4.28Å
219N88.8Confident90.4Very high43 Ų4362.1 Ų62.123%0.2333%0.333CS..  trans-130.1-169.9161.565.823.6000108.2T221 M222 N268N219-T221 PolarHBondContact O-N 2.97Å; N219-T221 PolarHBondContact OD1-N 3.09Å; N219-T221 PolarHBondContact OD1-OG1 2.94Å; N219-M222 PolarHBondContact N-O 2.77Å; N219-M222 WeakPolarHBondContact OD1-CA 3.26Å; N219-M222 VanDerWaalsContact OD1-CB 3.24Å; N219-M222 WeakPolarHBondContact OD1-CB 3.49Å; N219-M222 PolarHBondContact OD1-N 3.08Å; N219-M222 PolarHBondContact OD1-O 2.78Å; N219-N268 WeakPolarHBondContact CB-OD1 3.26Å
220E82.7Confident90.2Very high193 Ų19365.1 Ų65.190%0.90235%0.348SS*.SBendtrans-63.5-25.9-178-63.1-176.4166.600113.8
221T81.3Confident90.1Very high131 Ų13165 Ų6580%0.80436%0.362SS*.SBendtrans-113.9-11.2-171.256.80000113.8N219N219-T221 PolarHBondContact O-N 2.97Å; N219-T221 PolarHBondContact OD1-N 3.09Å; N219-T221 PolarHBondContact OD1-OG1 2.94Å
222M84.2Confident90.2Very high81 Ų8166.4 Ų66.440%0.39937%0.369SS..  trans-150136-164.7-176.1172.2175.700111.5M218 N219 K224M218-M222 CarbonylContact C-O 3.59Å; M218-M222 WeakPolarHBondContact CA-O 3.41Å; N219-M222 PolarHBondContact N-O 2.77Å; N219-M222 WeakPolarHBondContact OD1-CA 3.26Å; N219-M222 VanDerWaalsContact OD1-CB 3.24Å; N219-M222 WeakPolarHBondContact OD1-CB 3.49Å; N219-M222 PolarHBondContact OD1-N 3.08Å; N219-M222 PolarHBondContact OD1-O 2.78Å; M222-K224 HydrophobicContact CE-CB 3.62Å; M222-K224 HydrophobicContact CE-CD 3.31Å; M222-K224 HydrophobicContact CE-CG 4Å; M222-K224 HydrophobicContact CG-CB 4.44Å
223T89.7Confident90.3Very high97 Ų9766 Ų6660%0.59537%0.366SS*.EExtended strand (participates in β ladder)trans-119.9120.8163.4-62.10000107.6V217 M218V217-T223 WeakPolarHBondContact O-CA 2.97Å; M218-T223 HydrophobicContact CG-CG2 3.81Å
224K88.5Confident90.2Very high76 Ų7668.4 Ų68.433%0.3338%0.378SS..EExtended strand (participates in β ladder)trans-126.3125.9-178.3176.6168168.8-173.30110.1L216 V217 M222 L262L216-K224 WeakPolarHBondContact CA-O 3.48Å; V217-K224 PolarHBondContact N-O 2.82Å; V217-K224 PolarHBondContact O-N 2.83Å; M222-K224 HydrophobicContact CE-CB 3.62Å; M222-K224 HydrophobicContact CE-CD 3.31Å; M222-K224 HydrophobicContact CE-CG 4Å; M222-K224 HydrophobicContact CG-CB 4.44Å; K224-L262 PolarHBondContact NZ-O 3.44Å
225A91.7Very high90.1Very high65 Ų6569 Ų6954%0.53738%0.377SS..EExtended strand (participates in β ladder)trans-69.5134.3167.400000109.9L216L216-A225 HydrophobicContact CD2-CB 3.96Å
226I91.1Very high89.6Confident14 Ų1474.7 Ų74.77%0.07240%0.404CS..EExtended strand (participates in β ladder)trans-117.4133.5178.2-54.8-172000108.3W215 V217 L255 L262W215-I226 HydrophobicContact CB-CB 4.42Å; W215-I226 PolarHBondContact O-N 2.87Å; V217-I226 HydrophobicContact CB-CD1 3.64Å; V217-I226 HydrophobicContact CB-CG1 4.34Å; V217-I226 HydrophobicContact CG2-CD1 3.18Å; V217-I226 HydrophobicContact CG2-CG1 4.21Å; I226-L255 HydrophobicContact CB-CD1 4.47Å; I226-L255 HydrophobicContact CG2-CD1 3.55Å; I226-L262 HydrophobicContact CD1-CD1 3.85Å; I226-L262 HydrophobicContact CD1-CD2 3.99Å; I226-L262 HydrophobicContact CD1-CG 4.44Å; I226-L262 HydrophobicContact CG2-CD2 3.9Å
227M89Confident89.1Confident146 Ų14679 Ų7972%0.71943%0.428SS*.  trans-74136.8173-66.4-61.2110.500109.4
228P90.4Very high88.8Confident35 Ų3583 Ų8323%0.22745%0.452CS..  trans-61.8154.7174.130.8-36.1000110N230 S253P228-N230 VanDerWaalsContact CB-O 3.27Å; P228-N230 WeakPolarHBondContact CB-O 3.38Å; P228-N230 WeakPolarHBondContact CG-O 3.48Å; P228-N230 PolarHBondContact O-N 2.88Å; P228-S253 WeakPolarHBondContact CB-OG 3.46Å
229T87.6Confident88.5Confident54 Ų5481.3 Ų81.333%0.33144%0.444SS..SBendtrans-56.8-41.5178.5-57.50000111.1N254 H256T229-N254 WeakPolarHBondContact CB-O 3.14Å; T229-N254 PolarHBondContact N-O 3.24Å; T229-N254 PolarHBondContact OG1-O 2.98Å; T229-H256 WeakPolarHBondContact OG1-CB 3.45Å; T229-H256 PolarHBondContact OG1-CD2 2.84Å; T229-H256 VanDerWaalsContact OG1-CG 3.22Å; T229-H256 PolarHBondContact OG1-N 2.84Å
230N88.2Confident88.4Confident87 Ų8781.6 Ų81.647%0.46545%0.449SS..SBendtrans-127.8155.6176.9-63.3-39.3000109P228P228-N230 VanDerWaalsContact CB-O 3.27Å; P228-N230 WeakPolarHBondContact CB-O 3.38Å; P228-N230 WeakPolarHBondContact CG-O 3.48Å; P228-N230 PolarHBondContact O-N 2.88Å
231P89.7Confident88.5Confident112 Ų11279.5 Ų79.573%0.72744%0.444SS*.PPolyproline II helixtrans-52.9149.7168.7-23.533.7000111.5I233P231-I233 PolarHBondContact O-N 2.71Å
232N90.7Very high88.7Confident30 Ų3075.3 Ų75.316%0.1642%0.42CS..PPolyproline II helixtrans-56.3124.1177.9-68.2-14.4000110.6I213 T251 E252 S253I213-N232 PolarHBondContact N-ND2 2.88Å; I213-N232 PolarHBondContact O-ND2 2.9Å; N232-T251 HydrophobicContact CB-CG2 3.82Å; N232-E252 CarbonylContact C-O 3.57Å; N232-E252 WeakPolarHBondContact CA-O 3.41Å; N232-S253 WeakPolarHBondContact OD1-CB 3.37Å; N232-S253 PolarHBondContact OD1-OG 2.76Å
233I93.2Very high88.6Confident71 Ų7176.1 Ų76.136%0.36443%0.431SS..EExtended strand (participates in β ladder)trans-84.2132.5177.2-54172.2000107.6P231 H235 T251 E252P231-I233 PolarHBondContact O-N 2.71Å; I233-H235 VanDerWaalsContact CG2-CE1 3.47Å; I233-H235 WeakPolarHBondContact CG2-CE1 3.03Å; I233-H235 WeakPolarHBondContact CG2-NE2 3.21Å; I233-T251 CarbonylContact O-C 3.55Å; I233-T251 WeakPolarHBondContact O-CA 3.33Å; I233-E252 HydrophobicContact CB-CB 4.48Å; I233-E252 PolarHBondContact N-O 2.79Å; I233-E252 PolarHBondContact O-N 3.36Å
234I92.4Very high88.5Confident57 Ų5775.8 Ų75.829%0.29243%0.426SS..EExtended strand (participates in β ladder)trans-113.9133-179.6-38153.5000107.4R210 T249 T250R210-I234 HydrophobicContact CG-CG2 4.47Å; R210-I234 VanDerWaalsContact NE-CD1 3.35Å; I234-T249 HydrophobicContact CG2-CG2 3.75Å; I234-T250 WeakPolarHBondContact CA-O 3.45Å
235H92.6Very high88.6Confident68 Ų6874 Ų7432%0.31542%0.421SS..EExtended strand (participates in β ladder)trans-117.7115.3171.5-50.4-83.5000110I233 V238 T249 T250I233-H235 VanDerWaalsContact CG2-CE1 3.47Å; I233-H235 WeakPolarHBondContact CG2-CE1 3.03Å; I233-H235 WeakPolarHBondContact CG2-NE2 3.21Å; H235-V238 HydrophobicContact CB-CB 4.23Å; H235-V238 HydrophobicContact CB-CG2 3.6Å; H235-T249 WeakPolarHBondContact O-CA 3.26Å; H235-T250 WeakPolarHBondContact CB-OG1 2.92Å; H235-T250 PolarHBondContact N-O 2.99Å; H235-T250 PolarHBondContact O-N 2.95Å
236E86.2Confident88.5Confident123 Ų12374.2 Ų74.258%0.57541%0.412SS*.SBendtrans-85.2-44.2175.7-73.3168.9-166.900110.9V238 C239 S240 T249E236-V238 VanDerWaalsContact C-N 3.29Å; E236-V238 PolarHBondContact O-N 2.98Å; E236-C239 PolarHBondContact O-N 3.4Å; E236-S240 PolarHBondContact O-OG 2.92Å; E236-T249 HydrophobicContact CG-CG2 3.63Å
237N84.5Confident88.4Confident136 Ų13678 Ų7873%0.72743%0.433SS*.THydrogen-bonded Turntrans-71.4-21.7-171.2-63-20.2000114.1C239 S240N237-C239 PolarHBondContact O-N 3.2Å; N237-S240 PolarHBondContact O-N 3.04Å
238V87.3Confident88.7Confident87 Ų8771.4 Ų71.453%0.52740%0.401SS..THydrogen-bonded Turntrans-63.6-32.6-178.9176.50000111.2H235 E236 T250H235-V238 HydrophobicContact CB-CB 4.23Å; H235-V238 HydrophobicContact CB-CG2 3.6Å; E236-V238 VanDerWaalsContact C-N 3.29Å; E236-V238 PolarHBondContact O-N 2.98Å; V238-T250 HydrophobicContact CG1-CG2 4.48Å
239C89.2Confident88.9Confident2 Ų270.5 Ų70.51%0.01439%0.394CS..THydrogen-bonded Turntrans-89.9-13.3-177.4-61.40000113.5C206 E236 N237 N241 T245 M248C206-C239 WeakPolarHBondContact CA-SG 3.32Å; C206-C239 HydrophobicContact CB-CB 3.86Å; C206-C239 WeakPolarHBondContact CB-SG 3.19Å; C206-C239 VanDerWaalsContact SG-CA 3.52Å; C206-C239 WeakPolarHBondContact SG-CB 3.38Å; C206-C239 CovalentContact SG-SG 2.03Å; C206-C239 PolarHBondContact SG-SG 3.07Å; E236-C239 PolarHBondContact O-N 3.4Å; N237-C239 PolarHBondContact O-N 3.2Å; C239-N241 PolarHBondContact O-N 3.08Å; C239-N241 VanDerWaalsContact O-N 3.09Å; C239-T245 WeakPolarHBondContact CB-O 3.44Å; C239-T245 CarbonylContact O-C 3.59Å; C239-T245 VanDerWaalsContact O-C 3.27Å; C239-T245 WeakPolarHBondContact O-CB 3.48Å; C239-T245 PolarHBondContact O-OG1 2.9Å; C239-M248 HydrophobicContact CB-CB 3.9Å; C239-M248 WeakPolarHBondContact CB-O 3.48Å
240S85.6Confident89.2Confident48 Ų4868.8 Ų68.834%0.33638%0.384SS..THydrogen-bonded Turntrans-78.15.9-169.7-64.50000115.6E236 N237 S242E236-S240 PolarHBondContact O-OG 2.92Å; N237-S240 PolarHBondContact O-N 3.04Å; S240-S242 VanDerWaalsContact C-N 3.26Å; S240-S242 PolarHBondContact O-N 2.77Å
241N85.1Confident89.6Confident150 Ų15064.7 Ų64.780%0.80236%0.362SS*.THydrogen-bonded Turntrans-74.2-12-178.7-63.9-30.4000114.2C239C239-N241 PolarHBondContact O-N 3.08Å; C239-N241 VanDerWaalsContact O-N 3.09Å
242S85.3Confident89.9Confident43 Ų4362.2 Ų62.230%0.30134%0.34SS..SBendtrans-137.8144.3-177.9-177.80000111.7S240 N244 T245 I246S240-S242 VanDerWaalsContact C-N 3.26Å; S240-S242 PolarHBondContact O-N 2.77Å; S242-N244 PolarHBondContact O-N 2.92Å; S242-N244 PolarHBondContact OG-N 2.89Å; S242-T245 PolarHBondContact O-N 2.88Å; S242-T245 PolarHBondContact O-OG1 2.89Å; S242-I246 PolarHBondContact O-N 3.44Å
243P83.2Confident90.1Very high97 Ų9760.8 Ų60.863%0.6333%0.333SS*.THydrogen-bonded Turntrans-54.8-24.7170.2-25.233.9000113.8T245 I246P243-T245 VanDerWaalsContact C-N 3.32Å; P243-I246 WeakPolarHBondContact O-CG2 3.18Å
244N88.2Confident90.2Very high91 Ų9158.1 Ų58.149%0.48732%0.319SS..THydrogen-bonded Turntrans-81.7-8.3-180-67.2-32.4000113.9W99 S242 M248W99-N244 VanDerWaalsContact CB-O 3.27Å; W99-N244 WeakPolarHBondContact CB-O 3.02Å; S242-N244 PolarHBondContact O-N 2.92Å; S242-N244 PolarHBondContact OG-N 2.89Å; N244-M248 VanDerWaalsContact O-CE 3.3Å; N244-M248 WeakPolarHBondContact O-CE 3.45Å
245T89.7Confident90.4Very high39 Ų3955.5 Ų55.524%0.23931%0.306CS..THydrogen-bonded Turntrans-136.21.3-177.751.80000113.4C206 C239 S242 P243 M248C206-T245 HydrophobicContact CB-CG2 4.31Å; C239-T245 WeakPolarHBondContact CB-O 3.44Å; C239-T245 CarbonylContact O-C 3.59Å; C239-T245 VanDerWaalsContact O-C 3.27Å; C239-T245 WeakPolarHBondContact O-CB 3.48Å; C239-T245 PolarHBondContact O-OG1 2.9Å; S242-T245 PolarHBondContact O-N 2.88Å; S242-T245 PolarHBondContact O-OG1 2.89Å; P243-T245 VanDerWaalsContact C-N 3.32Å; T245-M248 HydrophobicContact CG2-SD 4.09Å; T245-M248 WeakPolarHBondContact O-CB 3.28Å; T245-M248 WeakPolarHBondContact O-CG 3.36Å; T245-M248 PolarHBondContact O-N 2.95Å
246I89.5Confident90.4Very high68 Ų6855.4 Ų55.435%0.34931%0.306SS..THydrogen-bonded Turntrans-57.7136.3178.1-167.3170.5000111.9W99 R102 S242 P243 M248W99-I246 WeakPolarHBondContact CZ2-O 3.44Å; W99-I246 PolarHBondContact NE1-O 3.38Å; R102-I246 PolarHBondContact NH2-O 3.26Å; S242-I246 PolarHBondContact O-N 3.44Å; P243-I246 WeakPolarHBondContact O-CG2 3.18Å; I246-M248 PolarHBondContact O-N 2.87Å
247D89.7Confident90.7Very high95 Ų9549.5 Ų49.551%0.50828%0.278SS..THydrogen-bonded Turntrans6212-173.4-42.8-35000115.4R102R102-D247 IonicContact CZ-OD2 3.84Å; R102-D247 IonicContact NH1-OD2 2.69Å; R102-D247 PolarHBondContact NH1-OD2 3.02Å; R102-D247 IonicContact NH2-OD2 2.59Å; R102-D247 PolarHBondContact NH2-OD2 3.1Å
248M94.3Very high90.9Very high7 Ų744 Ų443%0.03425%0.248CC..  trans-80.4161.5164.2-62.7-172.4-176.700110.3I33 W99 A122 C206 G207 H208 C239 N244 T245 I246I33-M248 HydrophobicContact CD1-CE 4.3Å; W99-M248 HydrophobicContact CB-CE 3.79Å; W99-M248 HydrophobicContact CD2-CE 3.2Å; W99-M248 HydrophobicContact CD2-CG 4.43Å; W99-M248 HydrophobicContact CE3-CE 3.61Å; W99-M248 HydrophobicContact CG-CE 3.3Å; W99-M248 HydrophobicContact CH2-CG 4.44Å; W99-M248 HydrophobicContact CZ2-CE 4.28Å; W99-M248 HydrophobicContact CZ2-CG 3.84Å; W99-M248 HydrophobicContact CZ3-CE 4.3Å; A122-M248 HydrophobicContact CB-CE 3.44Å; A122-M248 VanDerWaalsContact CB-CE 3.44Å; A122-M248 HydrophobicContact CB-SD 4.16Å; C206-M248 HydrophobicContact CB-CB 4.03Å; C206-M248 HydrophobicContact CB-SD 3.9Å; G207-M248 WeakPolarHBondContact O-CA 3.47Å; G207-M248 WeakPolarHBondContact O-CB 3.5Å; H208-M248 HydrophobicContact CB-CG 4.4Å; C239-M248 HydrophobicContact CB-CB 3.9Å; C239-M248 WeakPolarHBondContact CB-O 3.48Å; N244-M248 VanDerWaalsContact O-CE 3.3Å; N244-M248 WeakPolarHBondContact O-CE 3.45Å; T245-M248 HydrophobicContact CG2-SD 4.09Å; T245-M248 WeakPolarHBondContact O-CB 3.28Å; T245-M248 WeakPolarHBondContact O-CG 3.36Å; T245-M248 PolarHBondContact O-N 2.95Å; I246-M248 PolarHBondContact O-N 2.87Å
249T94.6Very high91Very high15 Ų1540.1 Ų40.19%0.09223%0.225CC..BIsolated β-bridgetrans-122.1147.4176.254.80000110.8G207 I234 H235 E236G207-T249 PolarHBondContact N-O 2.9Å; G207-T249 VanDerWaalsContact N-O 3.08Å; G207-T249 PolarHBondContact O-N 2.87Å; I234-T249 HydrophobicContact CG2-CG2 3.75Å; H235-T249 WeakPolarHBondContact O-CA 3.26Å; E236-T249 HydrophobicContact CG-CG2 3.63Å
250T95Very high90.9Very high19 Ų1940.9 Ų40.912%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-96.9152.9155.365.60000109.4T204 I234 H235 V238T204-T250 WeakPolarHBondContact O-CB 3.42Å; T204-T250 WeakPolarHBondContact O-CG2 3.4Å; I234-T250 WeakPolarHBondContact CA-O 3.45Å; H235-T250 WeakPolarHBondContact CB-OG1 2.92Å; H235-T250 PolarHBondContact N-O 2.99Å; H235-T250 PolarHBondContact O-N 2.95Å; V238-T250 HydrophobicContact CG1-CG2 4.48Å
251T95.5Very high90.9Very high0 Ų044.3 Ų44.30%024%0.241CC..EExtended strand (participates in β ladder)trans-127.4131174.5-59.80000109A203 T204 A211 I213 N232 I233A203-T251 CarbonylContact C-O 3.06Å; A203-T251 WeakPolarHBondContact CA-O 3.12Å; T204-T251 PolarHBondContact N-O 2.05Å; T204-T251 PolarHBondContact OG1-N 3.16Å; A211-T251 PolarHBondContact O-OG1 2.79Å; I213-T251 HydrophobicContact CD1-CG2 4.12Å; I213-T251 WeakPolarHBondContact CD1-O 3.49Å; I213-T251 HydrophobicContact CG1-CG2 4.15Å; N232-T251 HydrophobicContact CB-CG2 3.82Å; I233-T251 CarbonylContact O-C 3.55Å; I233-T251 WeakPolarHBondContact O-CA 3.33Å
252E95.7Very high91Very high60 Ų6038.3 Ų38.328%0.2821%0.209SC..EExtended strand (participates in β ladder)trans-118138.4175.8-169.7-173.2131.300109.8T201 C202 A203 N232 I233 N254T201-E252 HydrophobicContact CG2-CG 3.7Å; C202-E252 CarbonylContact O-C 3.58Å; C202-E252 WeakPolarHBondContact O-CA 3.35Å; A203-E252 HydrophobicContact CB-CG 4.5Å; N232-E252 CarbonylContact C-O 3.57Å; N232-E252 WeakPolarHBondContact CA-O 3.41Å; I233-E252 HydrophobicContact CB-CB 4.48Å; I233-E252 PolarHBondContact N-O 2.79Å; I233-E252 PolarHBondContact O-N 3.36Å; E252-N254 PolarHBondContact OE1-ND2 2.98Å
253S96.4Very high91.1Very high1 Ų141.1 Ų41.11%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-134.6134.3175.5-165.70000109.6C202 W215 P228 N232C202-S253 PolarHBondContact N-O 2.89Å; C202-S253 PolarHBondContact O-N 3Å; W215-S253 PolarHBondContact NE1-OG 2.84Å; P228-S253 WeakPolarHBondContact CB-OG 3.46Å; N232-S253 WeakPolarHBondContact OD1-CB 3.37Å; N232-S253 PolarHBondContact OD1-OG 2.76Å
254N95.3Very high91.4Very high14 Ų1436.8 Ų36.88%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-113.7134.7-179.6-74.1-65.3000109.8Q199 L200 T201 T229 E252Q199-N254 PolarHBondContact NE2-OD1 2.83Å; L200-N254 CarbonylContact O-C 3.6Å; L200-N254 WeakPolarHBondContact O-CA 3.39Å; T201-N254 WeakPolarHBondContact CB-OD1 3.41Å; T201-N254 WeakPolarHBondContact CG2-OD1 3.3Å; T201-N254 PolarHBondContact OG1-OD1 3.46Å; T229-N254 WeakPolarHBondContact CB-O 3.14Å; T229-N254 PolarHBondContact N-O 3.24Å; T229-N254 PolarHBondContact OG1-O 2.98Å; E252-N254 PolarHBondContact OE1-ND2 2.98Å
255L95Very high91.5Very high3 Ų336 Ų362%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-129.2122.2178.4176.565.6000110.6Q199 L200 W215 I226 V257 V270Q199-L255 WeakPolarHBondContact CA-O 3.27Å; L200-L255 HydrophobicContact CB-CB 4.47Å; L200-L255 PolarHBondContact N-O 3.15Å; L200-L255 PolarHBondContact O-N 3.01Å; W215-L255 HydrophobicContact CB-CD2 4.03Å; W215-L255 HydrophobicContact CD2-CB 3.9Å; W215-L255 HydrophobicContact CD2-CD2 3.69Å; W215-L255 HydrophobicContact CD2-CG 4.38Å; W215-L255 HydrophobicContact CE3-CB 4.21Å; W215-L255 HydrophobicContact CE3-CD2 3.54Å; W215-L255 HydrophobicContact CG-CB 4.33Å; W215-L255 HydrophobicContact CG-CD2 3.93Å; W215-L255 HydrophobicContact CH2-CB 4.26Å; W215-L255 HydrophobicContact CZ2-CB 3.97Å; W215-L255 HydrophobicContact CZ3-CB 4.37Å; W215-L255 HydrophobicContact CZ3-CD2 4.15Å; I226-L255 HydrophobicContact CB-CD1 4.47Å; I226-L255 HydrophobicContact CG2-CD1 3.55Å; L255-V257 HydrophobicContact CD2-CG2 3.96Å; L255-V257 HydrophobicContact CG-CG2 3.95Å; L255-V270 HydrophobicContact CD2-CG1 3.87Å
256H93.1Very high91.6Very high65 Ų6535.5 Ų35.530%0.30119%0.189SC..EExtended strand (participates in β ladder)trans-88.3125170.6-67.4176.4000108.9L134 T229L134-H256 HydrophobicContact CD1-CB 3.84Å; T229-H256 WeakPolarHBondContact OG1-CB 3.45Å; T229-H256 PolarHBondContact OG1-CD2 2.84Å; T229-H256 VanDerWaalsContact OG1-CG 3.22Å; T229-H256 PolarHBondContact OG1-N 2.84Å
257V91.9Very high91.8Very high0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-113112.1-179.3-179.50000108L192 G197 I198 L200 L255 L262 I264 I290L192-V257 HydrophobicContact CD1-CG1 4.03Å; G197-V257 WeakPolarHBondContact CA-O 3.3Å; I198-V257 HydrophobicContact CG1-CB 3.87Å; I198-V257 HydrophobicContact CG1-CG1 4.49Å; I198-V257 HydrophobicContact CG1-CG2 4.49Å; I198-V257 PolarHBondContact N-O 3.29Å; I198-V257 VanDerWaalsContact N-O 3.09Å; I198-V257 PolarHBondContact O-N 3.04Å; L200-V257 HydrophobicContact CD1-CG2 3.8Å; L200-V257 HydrophobicContact CG-CG2 4.21Å; L255-V257 HydrophobicContact CD2-CG2 3.96Å; L255-V257 HydrophobicContact CG-CG2 3.95Å; V257-L262 HydrophobicContact CB-CD1 4.44Å; V257-L262 HydrophobicContact CG1-CD1 4.04Å; V257-I264 HydrophobicContact CG1-CD1 4.5Å; V257-I290 HydrophobicContact CG1-CD1 3.42Å; V257-I290 VanDerWaalsContact CG1-CD1 3.42Å
258H89.7Confident92Very high19 Ų1931.3 Ų31.39%0.08817%0.167CC..  trans-129118.3169.9-167.4-76.6000108.5G195 S260 Q261 L262G195-H258 PolarHBondContact O-NE2 2.9Å; H258-S260 VanDerWaalsContact C-N 3.25Å; H258-S260 PolarHBondContact CE1-OG 2.86Å; H258-S260 PolarHBondContact ND1-N 2.96Å; H258-S260 PolarHBondContact ND1-OG 3.34Å; H258-S260 PolarHBondContact O-N 3.27Å; H258-S260 VanDerWaalsContact O-N 3.17Å; H258-Q261 HydrophobicContact CB-CB 4.12Å; H258-Q261 HydrophobicContact CB-CG 3.98Å; H258-Q261 PolarHBondContact O-N 2.92Å; H258-L262 PolarHBondContact O-N 2.03Å
259C89.1Confident92.1Very high7 Ų733 Ų335%0.04718%0.175CC..Hα-helixtrans-55.1-40.7-171.9-60.60000112.5Q261 D263 I264 C292 L298C259-Q261 PolarHBondContact O-N 3.45Å; C259-D263 WeakPolarHBondContact O-CA 3.45Å; C259-D263 PolarHBondContact O-N 3.4Å; C259-I264 HydrophobicContact CB-CG1 4.29Å; C259-I264 PolarHBondContact O-N 3.32Å; C259-C292 HydrophobicContact CB-CB 3.63Å; C259-C292 WeakPolarHBondContact CB-SG 3.45Å; C259-C292 VanDerWaalsContact SG-CA 3.51Å; C259-C292 WeakPolarHBondContact SG-CB 3.43Å; C259-C292 CovalentContact SG-SG 2.03Å; C259-C292 PolarHBondContact SG-SG 2.73Å; C259-L298 HydrophobicContact CB-CD1 4.33Å
260S86.2Confident92.1Very high17 Ų1732.3 Ų32.312%0.11917%0.171CC..Hα-helixtrans-72.2-26.6-179.776.30000114.4H258 K302H258-S260 VanDerWaalsContact C-N 3.25Å; H258-S260 PolarHBondContact CE1-OG 2.86Å; H258-S260 PolarHBondContact ND1-N 2.96Å; H258-S260 PolarHBondContact ND1-OG 3.34Å; H258-S260 PolarHBondContact O-N 3.27Å; H258-S260 VanDerWaalsContact O-N 3.17Å; S260-K302 WeakPolarHBondContact O-CE 3.17Å
261Q86.3Confident92.2Very high121 Ų12132.4 Ų32.457%0.56517%0.17SC*.Hα-helixtrans-82-35.5179.3-67.2179.5-13.800111.1H258 C259 D263H258-Q261 HydrophobicContact CB-CB 4.12Å; H258-Q261 HydrophobicContact CB-CG 3.98Å; H258-Q261 PolarHBondContact O-N 2.92Å; C259-Q261 PolarHBondContact O-N 3.45Å; Q261-D263 VanDerWaalsContact C-N 3.35Å
262L87.1Confident92.2Very high24 Ų2432.4 Ų32.413%0.12617%0.17CC..Hα-helixtrans-85.4-12179.3-66175.6000113.3K224 I226 V257 H258 I264K224-L262 PolarHBondContact NZ-O 3.44Å; I226-L262 HydrophobicContact CD1-CD1 3.85Å; I226-L262 HydrophobicContact CD1-CD2 3.99Å; I226-L262 HydrophobicContact CD1-CG 4.44Å; I226-L262 HydrophobicContact CG2-CD2 3.9Å; V257-L262 HydrophobicContact CB-CD1 4.44Å; V257-L262 HydrophobicContact CG1-CD1 4.04Å; H258-L262 PolarHBondContact O-N 2.03Å; L262-I264 HydrophobicContact CB-CD1 4.04Å; L262-I264 HydrophobicContact CB-CG1 3.94Å; L262-I264 HydrophobicContact CB-CG2 4.25Å; L262-I264 HydrophobicContact CD1-CD1 4.1Å
263D86.8Confident92.1Very high101 Ų10129.8 Ų29.854%0.5416%0.158SC..THydrogen-bonded Turntrans56.849.3-176.5-153.945.5000112.5C259 Q261 K302C259-D263 WeakPolarHBondContact O-CA 3.45Å; C259-D263 PolarHBondContact O-N 3.4Å; Q261-D263 VanDerWaalsContact C-N 3.35Å; D263-K302 IonicContact OD1-NZ 2.89Å; D263-K302 PolarHBondContact OD1-NZ 3.25Å
264I89.5Confident92Very high7 Ų729.8 Ų29.84%0.03616%0.158CC..  trans-114.9139.9-178.354.1174.1000109.6V217 V257 C259 L262 I290 C292V217-I264 HydrophobicContact CG1-CG2 4.13Å; V257-I264 HydrophobicContact CG1-CD1 4.5Å; C259-I264 HydrophobicContact CB-CG1 4.29Å; C259-I264 PolarHBondContact O-N 3.32Å; L262-I264 HydrophobicContact CB-CD1 4.04Å; L262-I264 HydrophobicContact CB-CG1 3.94Å; L262-I264 HydrophobicContact CB-CG2 4.25Å; L262-I264 HydrophobicContact CD1-CD1 4.1Å; I264-I290 HydrophobicContact CD1-CD1 3.69Å; I264-C292 WeakPolarHBondContact O-CB 3.39Å
265I90.4Very high91.8Very high75 Ų7532.3 Ų32.339%0.38517%0.171SC..  trans-127.4154.9-177.758.2171.4000110.2N268 A293 K295 L298I265-N268 PolarHBondContact O-ND2 3.46Å; I265-A293 WeakPolarHBondContact CA-O 3.49Å; I265-A293 WeakPolarHBondContact CB-O 3.3Å; I265-K295 HydrophobicContact CD1-CB 4.46Å; I265-L298 HydrophobicContact CG2-CD2 3.78Å
266G91.8Very high91.4Very high28 Ų2833.4 Ų33.429%0.28918%0.183SC..EExtended strand (participates in β ladder)trans64.6-153176.200000114.4N268 C292 A293G266-N268 PolarHBondContact O-ND2 2.72Å; G266-C292 WeakPolarHBondContact CA-O 3.49Å; G266-C292 PolarHBondContact N-O 3.04Å; G266-C292 PolarHBondContact O-N 3.02Å; G266-A293 PolarHBondContact N-O 3.47Å
267L93.8Very high91.2Very high74 Ų7433.3 Ų33.339%0.38719%0.188SC..EExtended strand (participates in β ladder)trans-80.6125.6-178.8-177.565.9000110.9R186 P189 Y289 L291R186-L267 HydrophobicContact CG-CD2 4.43Å; P189-L267 HydrophobicContact CB-CD1 3.79Å; P189-L267 HydrophobicContact CG-CD1 3.91Å; L267-Y289 HydrophobicContact CD1-CD1 4.4Å; L267-L291 HydrophobicContact CB-CD1 4.4Å
268N94.6Very high91Very high1 Ų133.8 Ų33.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-130140.4-178.4-66.1-93.7000110.5V217 N219 I265 G266 Y289 I290V217-N268 HydrophobicContact CG1-CB 4.02Å; N219-N268 WeakPolarHBondContact CB-OD1 3.26Å; I265-N268 PolarHBondContact O-ND2 3.46Å; G266-N268 PolarHBondContact O-ND2 2.72Å; N268-Y289 WeakPolarHBondContact O-CA 3.3Å; N268-I290 HydrophobicContact CB-CD1 4.23Å; N268-I290 HydrophobicContact CB-CG1 3.8Å; N268-I290 PolarHBondContact N-O 2.81Å; N268-I290 PolarHBondContact O-N 3.49Å
269Q96.2Very high90.9Very high43 Ų4333.5 Ų33.520%0.20119%0.189CC..EExtended strand (participates in β ladder)trans-95.2114.8170-179.6-177.9-29.600108.8V217 M218 N287 Y289V217-Q269 WeakPolarHBondContact CA-O 3.41Å; M218-Q269 HydrophobicContact CB-CB 4.42Å; M218-Q269 HydrophobicContact CE-CG 4.02Å; M218-Q269 VanDerWaalsContact CE-NE2 3.33Å; M218-Q269 PolarHBondContact N-O 3.23Å; M218-Q269 PolarHBondContact O-N 2.66Å; Q269-N287 HydrophobicContact CG-CB 4.01Å; Q269-N287 PolarHBondContact NE2-ND2 2.86Å; Q269-N287 PolarHBondContact NE2-OD1 2.75Å; Q269-Y289 HydrophobicContact CB-CD1 4.06Å; Q269-Y289 HydrophobicContact CB-CE1 3.76Å; Q269-Y289 HydrophobicContact CG-CE1 4.03Å; Q269-Y289 PolarHBondContact OE1-OH 3.33Å
270V95.6Very high90.5Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-92.4120.6170.1-167.90000108L200 W215 V217 L255 N287 V288 I290L200-V270 HydrophobicContact CD1-CB 4.04Å; L200-V270 HydrophobicContact CD1-CG1 3.64Å; L200-V270 HydrophobicContact CD1-CG2 4.31Å; W215-V270 HydrophobicContact CE3-CG1 3.98Å; W215-V270 HydrophobicContact CZ3-CG1 4.18Å; V217-V270 HydrophobicContact CG2-CB 4.23Å; V217-V270 HydrophobicContact CG2-CG1 4.03Å; V217-V270 HydrophobicContact CG2-CG2 3.91Å; L255-V270 HydrophobicContact CD2-CG1 3.87Å; V270-N287 CarbonylContact O-C 3.54Å; V270-N287 VanDerWaalsContact O-CA 3.29Å; V270-N287 WeakPolarHBondContact O-CA 2.87Å; V270-V288 HydrophobicContact CB-CG2 3.93Å; V270-V288 HydrophobicContact CG2-CG2 4.46Å; V270-V288 PolarHBondContact N-O 2.8Å; V270-V288 PolarHBondContact O-N 2.8Å; V270-I290 HydrophobicContact CG2-CD1 3.59Å; V270-I290 HydrophobicContact CG2-CG1 4.02Å; V270-I290 HydrophobicContact CG2-CG2 4.05Å
271Q96Very high90.1Very high21 Ų2148.4 Ų48.410%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-113.1131.4-179.9175.7171.696.200109.9W215 L216 M218 T285 R286 N287W215-Q271 WeakPolarHBondContact CA-O 3.35Å; L216-Q271 HydrophobicContact CB-CB 4.35Å; L216-Q271 PolarHBondContact N-O 2.87Å; L216-Q271 PolarHBondContact O-N 2.89Å; M218-Q271 HydrophobicContact CE-CB 3.54Å; M218-Q271 HydrophobicContact CE-CG 4.28Å; Q271-T285 VanDerWaalsContact CD-CG2 3.42Å; Q271-T285 HydrophobicContact CG-CG2 3.93Å; Q271-R286 CarbonylContact C-O 3.56Å; Q271-R286 WeakPolarHBondContact CA-O 3.5Å; Q271-N287 WeakPolarHBondContact CB-OD1 3.45Å; Q271-N287 WeakPolarHBondContact CG-OD1 3.43Å; Q271-N287 PolarHBondContact NE2-OD1 3.05Å
272C95.7Very high89.8Confident0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-101136.9155.272.80000109.8M129 C202 I213 T214 W215 T285 R286M129-C272 HydrophobicContact CE-CB 3.98Å; M129-C272 WeakPolarHBondContact CE-SG 3.41Å; C202-C272 HydrophobicContact CB-CB 3.56Å; C202-C272 WeakPolarHBondContact CB-SG 3.4Å; C202-C272 WeakPolarHBondContact SG-CB 3.26Å; C202-C272 CovalentContact SG-SG 2.05Å; C202-C272 PolarHBondContact SG-SG 2.74Å; I213-C272 HydrophobicContact CG2-CB 4.09Å; T214-C272 WeakPolarHBondContact O-CA 3.34Å; W215-C272 HydrophobicContact CD2-CB 3.94Å; W215-C272 HydrophobicContact CE3-CB 3.67Å; W215-C272 HydrophobicContact CH2-CB 3.83Å; W215-C272 HydrophobicContact CZ2-CB 4.05Å; W215-C272 HydrophobicContact CZ3-CB 3.62Å; C272-T285 CarbonylContact O-C 3.58Å; C272-T285 VanDerWaalsContact O-CA 3.28Å; C272-T285 WeakPolarHBondContact O-CA 3.47Å; C272-R286 PolarHBondContact N-O 3.43Å; C272-R286 PolarHBondContact O-N 3.07Å
273S94.5Very high89.5Confident5 Ų551.1 Ų51.14%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-126.3149.4176.759.50000110.5I213 T214 L284I213-S273 CarbonylContact C-O 3.57Å; I213-S273 VanDerWaalsContact CA-O 3.31Å; I213-S273 WeakPolarHBondContact CA-O 3.35Å; T214-S273 PolarHBondContact N-O 2.92Å; T214-S273 PolarHBondContact O-N 3.08Å; T214-S273 PolarHBondContact OG1-OG 2.81Å; S273-L284 WeakPolarHBondContact CA-O 3.42Å
274V93.7Very high89.6Confident1 Ų149 Ų491%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-106128.5173.9-175.40000109.7L126 T204 A211 N212 I213 Y279 L284L126-V274 HydrophobicContact CD1-CG2 3.95Å; L126-V274 HydrophobicContact CD2-CG2 3.31Å; L126-V274 HydrophobicContact CG-CG2 3.51Å; T204-V274 HydrophobicContact CG2-CG1 4.45Å; T204-V274 HydrophobicContact CG2-CG2 3.79Å; A211-V274 HydrophobicContact CB-CG1 3.48Å; A211-V274 VanDerWaalsContact CB-CG1 3.48Å; N212-V274 WeakPolarHBondContact O-CA 3.5Å; I213-V274 HydrophobicContact CG1-CG2 4.35Å; V274-Y279 HydrophobicContact CB-CE2 4.36Å; V274-Y279 HydrophobicContact CG1-CD2 4.06Å; V274-Y279 HydrophobicContact CG1-CE2 3.4Å; V274-Y279 VanDerWaalsContact CG1-CE2 3.4Å; V274-L284 HydrophobicContact CB-CB 4.49Å; V274-L284 PolarHBondContact N-O 2.93Å
275N90Very high89.8Confident66 Ų6650.6 Ų50.635%0.35328%0.278SS..EExtended strand (participates in β ladder)trans-115.7149.6176.8-58.8-35000110.6N212 T214N212-N275 PolarHBondContact N-O 2.81Å; N212-N275 PolarHBondContact O-N 3.21Å; T214-N275 PolarHBondContact OG1-ND2 3.23Å
276G88.4Confident90Very high26 Ų2652.9 Ų52.927%0.26828%0.282SS..SBendtrans166.1160.7-179.900000111.2Q278 Y279G276-Q278 PolarHBondContact O-N 3.06Å; G276-Q278 VanDerWaalsContact O-N 3.15Å; G276-Y279 PolarHBondContact O-N 2.67Å
277P88.2Confident90.2Very high63 Ų6354.6 Ų54.641%0.40928%0.284SS..G310 helixtrans-62-21.8-178.428.7-38.3000113.4Y121 P209 Y279 K280Y121-P277 HydrophobicContact CE2-CB 3.93Å; Y121-P277 HydrophobicContact CE2-CG 3.77Å; P209-P277 HydrophobicContact CG-CG 3.51Å; P277-Y279 VanDerWaalsContact C-N 3.26Å; P277-Y279 PolarHBondContact O-N 2.9Å; P277-K280 WeakPolarHBondContact O-CG 3.46Å
278Q88.1Confident90.2Very high10 Ų1051.7 Ų51.75%0.04727%0.269CS..G310 helixtrans-77.1-6.6175.572.8-83.434.100114.5L32 Y121 P123 P209 G276L32-Q278 HydrophobicContact CD2-CB 4.44Å; Y121-Q278 HydrophobicContact CD2-CB 3.47Å; Y121-Q278 VanDerWaalsContact CD2-CB 3.47Å; Y121-Q278 HydrophobicContact CE2-CB 4.18Å; Y121-Q278 HydrophobicContact CG-CB 4.1Å; P123-Q278 HydrophobicContact CB-CG 4.17Å; P123-Q278 HydrophobicContact CG-CB 4.28Å; P123-Q278 HydrophobicContact CG-CG 4.29Å; P209-Q278 PolarHBondContact O-NE2 2.93Å; G276-Q278 PolarHBondContact O-N 3.06Å; G276-Q278 VanDerWaalsContact O-N 3.15Å
279Y87.3Confident90.2Very high14 Ų1453.8 Ų53.86%0.05528%0.277CS..G310 helixtrans-114.715.8-175.8-57.4-66.8000113.5P123 A124 V274 G276 P277 D281 T282 L284P123-Y279 HydrophobicContact CB-CD1 4.35Å; P123-Y279 HydrophobicContact CB-CE1 3.65Å; A124-Y279 WeakPolarHBondContact CA-OH 3.3Å; A124-Y279 WeakPolarHBondContact CB-OH 3.17Å; A124-Y279 PolarHBondContact N-OH 3.43Å; A124-Y279 PolarHBondContact O-OH 3.31Å; V274-Y279 HydrophobicContact CB-CE2 4.36Å; V274-Y279 HydrophobicContact CG1-CD2 4.06Å; V274-Y279 HydrophobicContact CG1-CE2 3.4Å; V274-Y279 VanDerWaalsContact CG1-CE2 3.4Å; G276-Y279 PolarHBondContact O-N 2.67Å; P277-Y279 VanDerWaalsContact C-N 3.26Å; P277-Y279 PolarHBondContact O-N 2.9Å; Y279-D281 PolarHBondContact O-N 3.09Å; Y279-T282 WeakPolarHBondContact CB-O 3.26Å; Y279-T282 CarbonylContact O-C 3.56Å; Y279-T282 PolarHBondContact O-N 2.58Å; Y279-T282 VanDerWaalsContact O-O 3.13Å; Y279-L284 HydrophobicContact CD1-CD1 3.79Å; Y279-L284 HydrophobicContact CD1-CG 4.2Å; Y279-L284 HydrophobicContact CE1-CD1 3.28Å; Y279-L284 HydrophobicContact CE1-CG 4.18Å
280K79.6Confident90.1Very high176 Ų17651.7 Ų51.777%0.76527%0.268SS*.THydrogen-bonded Turntrans-49.4-37.9-175.4-76.8177-178-179.20113.8P277P277-K280 WeakPolarHBondContact O-CG 3.46Å
281D78Confident90Very high160 Ų16053.7 Ų53.786%0.85628%0.278SS*.THydrogen-bonded Turntrans-106.3-0.1-177-52.3-44.4000113.6Y279Y279-D281 PolarHBondContact O-N 3.09Å
282T81Confident89.8Confident78 Ų7852.8 Ų52.848%0.47927%0.274SS..  trans-137.4109.7-174.851.40000111.7Y279 L284Y279-T282 WeakPolarHBondContact CB-O 3.26Å; Y279-T282 CarbonylContact O-C 3.56Å; Y279-T282 PolarHBondContact O-N 2.58Å; Y279-T282 VanDerWaalsContact O-O 3.13Å; T282-L284 PolarHBondContact O-N 2.98Å
283L80.4Confident89.5Confident125 Ų12552.9 Ų52.965%0.65428%0.275SS*.  trans-82.4104.1173.4-167.175.2000109.8T285L283-T285 HydrophobicContact CD2-CG2 3.73Å; L283-T285 HydrophobicContact CG-CG2 3.78Å; L283-T285 PolarHBondContact O-N 3.33Å
284L89.3Confident89.1Confident55 Ų5556.5 Ų56.529%0.28829%0.294SS..EExtended strand (participates in β ladder)trans-84.6112.4173.3-69.5-179.1000110A124 L126 S273 V274 Y279 T282A124-L284 WeakPolarHBondContact O-CD1 3.21Å; L126-L284 HydrophobicContact CD1-CB 4.29Å; L126-L284 WeakPolarHBondContact CD1-O 3.37Å; S273-L284 WeakPolarHBondContact CA-O 3.42Å; V274-L284 HydrophobicContact CB-CB 4.49Å; V274-L284 PolarHBondContact N-O 2.93Å; Y279-L284 HydrophobicContact CD1-CD1 3.79Å; Y279-L284 HydrophobicContact CD1-CG 4.2Å; Y279-L284 HydrophobicContact CE1-CD1 3.28Å; Y279-L284 HydrophobicContact CE1-CG 4.18Å; T282-L284 PolarHBondContact O-N 2.98Å
285T93.7Very high88.5Confident41 Ų4162.6 Ų62.625%0.25232%0.32SS..EExtended strand (participates in β ladder)trans-128.3148.2179.658.40000112.6Q271 C272 L283Q271-T285 VanDerWaalsContact CD-CG2 3.42Å; Q271-T285 HydrophobicContact CG-CG2 3.93Å; C272-T285 CarbonylContact O-C 3.58Å; C272-T285 VanDerWaalsContact O-CA 3.28Å; C272-T285 WeakPolarHBondContact O-CA 3.47Å; L283-T285 HydrophobicContact CD2-CG2 3.73Å; L283-T285 HydrophobicContact CG-CG2 3.78Å; L283-T285 PolarHBondContact O-N 3.33Å
286R94.9Very high88.1Confident124 Ų12464.9 Ų64.947%0.46833%0.333SS..EExtended strand (participates in β ladder)trans-124.7140.6162.7-68.2-65.9-172-160.5-2.3109.1L126 M129 Q271 C272L126-R286 HydrophobicContact CB-CG 3.69Å; L126-R286 HydrophobicContact CD1-CB 4.29Å; L126-R286 HydrophobicContact CD1-CG 3.78Å; L126-R286 HydrophobicContact CG-CG 4.31Å; L126-R286 PolarHBondContact O-NH2 2.99Å; M129-R286 HydrophobicContact CE-CB 4.17Å; Q271-R286 CarbonylContact C-O 3.56Å; Q271-R286 WeakPolarHBondContact CA-O 3.5Å; C272-R286 PolarHBondContact N-O 3.43Å; C272-R286 PolarHBondContact O-N 3.07Å
287N94.6Very high87.6Confident64 Ų6468 Ų6834%0.34234%0.34SS..EExtended strand (participates in β ladder)trans-125.9143.4-175.4-53.1-55.7000110Q269 V270 Q271Q269-N287 HydrophobicContact CG-CB 4.01Å; Q269-N287 PolarHBondContact NE2-ND2 2.86Å; Q269-N287 PolarHBondContact NE2-OD1 2.75Å; V270-N287 CarbonylContact O-C 3.54Å; V270-N287 VanDerWaalsContact O-CA 3.29Å; V270-N287 WeakPolarHBondContact O-CA 2.87Å; Q271-N287 WeakPolarHBondContact CB-OD1 3.45Å; Q271-N287 WeakPolarHBondContact CG-OD1 3.43Å; Q271-N287 PolarHBondContact NE2-OD1 3.05Å
288V94.6Very high87Confident13 Ų1365.3 Ų65.38%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-130.6153.2164-65.60000108.7M129 G184 Y190 L200 V270M129-V288 HydrophobicContact CB-CG1 4.35Å; M129-V288 HydrophobicContact CG-CG1 4.41Å; M129-V288 HydrophobicContact SD-CB 4.16Å; M129-V288 HydrophobicContact SD-CG1 3.53Å; M129-V288 VanDerWaalsContact SD-CG1 3.53Å; M129-V288 HydrophobicContact SD-CG2 3.54Å; M129-V288 VanDerWaalsContact SD-CG2 3.54Å; G184-V288 WeakPolarHBondContact O-CA 3.39Å; Y190-V288 HydrophobicContact CE2-CB 4.28Å; Y190-V288 HydrophobicContact CE2-CG1 4.43Å; L200-V288 HydrophobicContact CD1-CG2 3.73Å; L200-V288 HydrophobicContact CD2-CG2 4.02Å; V270-V288 HydrophobicContact CB-CG2 3.93Å; V270-V288 HydrophobicContact CG2-CG2 4.46Å; V270-V288 PolarHBondContact N-O 2.8Å; V270-V288 PolarHBondContact O-N 2.8Å
289Y95.3Very high86.5Confident44 Ų4469.6 Ų69.617%0.17334%0.342CS..EExtended strand (participates in β ladder)trans-110.3136.3179.8-66.8-98.7000110.3G184 R186 P189 Y190 L267 N268 Q269G184-Y289 PolarHBondContact O-N 2.98Å; R186-Y289 HydrophobicContact CB-CD1 4.05Å; R186-Y289 HydrophobicContact CB-CD2 4.04Å; R186-Y289 HydrophobicContact CB-CE1 3.85Å; R186-Y289 HydrophobicContact CB-CE2 3.86Å; R186-Y289 HydrophobicContact CB-CG 4.12Å; R186-Y289 HydrophobicContact CG-CD1 4.14Å; R186-Y289 HydrophobicContact CG-CE1 3.85Å; R186-Y289 VanDerWaalsContact N-CD2 3.28Å; P189-Y289 CarbonylContact C-O 3.46Å; P189-Y289 WeakPolarHBondContact CA-O 3.13Å; P189-Y289 WeakPolarHBondContact CB-O 3.44Å; Y190-Y289 PolarHBondContact N-O 2.96Å; L267-Y289 HydrophobicContact CD1-CD1 4.4Å; N268-Y289 WeakPolarHBondContact O-CA 3.3Å; Q269-Y289 HydrophobicContact CB-CD1 4.06Å; Q269-Y289 HydrophobicContact CB-CE1 3.76Å; Q269-Y289 HydrophobicContact CG-CE1 4.03Å; Q269-Y289 PolarHBondContact OE1-OH 3.33Å
290I93.8Very high86.2Confident0 Ų074 Ų740%037%0.367CS..EExtended strand (participates in β ladder)trans-124.9144.817866.4-178.9000109.2Y190 L192 I198 V257 I264 N268 V270Y190-I290 HydrophobicContact CD2-CG2 4.42Å; Y190-I290 CarbonylContact O-C 3.45Å; Y190-I290 WeakPolarHBondContact O-CA 3.25Å; L192-I290 HydrophobicContact CD1-CB 4.06Å; L192-I290 HydrophobicContact CD1-CD1 4.36Å; L192-I290 HydrophobicContact CD1-CG2 4.22Å; I198-I290 HydrophobicContact CD1-CG2 3.78Å; V257-I290 HydrophobicContact CG1-CD1 3.42Å; V257-I290 VanDerWaalsContact CG1-CD1 3.42Å; I264-I290 HydrophobicContact CD1-CD1 3.69Å; N268-I290 HydrophobicContact CB-CD1 4.23Å; N268-I290 HydrophobicContact CB-CG1 3.8Å; N268-I290 PolarHBondContact N-O 2.81Å; N268-I290 PolarHBondContact O-N 3.49Å; V270-I290 HydrophobicContact CG2-CD1 3.59Å; V270-I290 HydrophobicContact CG2-CG1 4.02Å; V270-I290 HydrophobicContact CG2-CG2 4.05Å
291L92.9Very high85.8Confident42 Ų4267.6 Ų67.622%0.2234%0.341CS..EExtended strand (participates in β ladder)trans-111.6115174.6-177.764.4000108.8P189 Y190 L192 R193 L267P189-L291 HydrophobicContact CB-CB 4.29Å; P189-L291 HydrophobicContact CG-CB 3.88Å; Y190-L291 PolarHBondContact O-N 2.64Å; L192-L291 PolarHBondContact N-O 3.43Å; R193-L291 HydrophobicContact CG-CG 4.26Å; L267-L291 HydrophobicContact CB-CD1 4.4Å
292C91.4Very high85.7Confident2 Ų263.5 Ų63.51%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-98.9158.2174.7-68.70000110.5C259 I264 G266C259-C292 HydrophobicContact CB-CB 3.63Å; C259-C292 WeakPolarHBondContact CB-SG 3.45Å; C259-C292 VanDerWaalsContact SG-CA 3.51Å; C259-C292 WeakPolarHBondContact SG-CB 3.43Å; C259-C292 CovalentContact SG-SG 2.03Å; C259-C292 PolarHBondContact SG-SG 2.73Å; I264-C292 WeakPolarHBondContact O-CB 3.39Å; G266-C292 WeakPolarHBondContact CA-O 3.49Å; G266-C292 PolarHBondContact N-O 3.04Å; G266-C292 PolarHBondContact O-N 3.02Å
293A89.3Confident85.5Confident2 Ų265.8 Ų65.82%0.01732%0.321CS..  trans-59.2158.2175.700000110.9R193 I265 G266 E297 L301R193-A293 HydrophobicContact CB-CB 4.36Å; R193-A293 HydrophobicContact CG-CB 4.39Å; I265-A293 WeakPolarHBondContact CA-O 3.49Å; I265-A293 WeakPolarHBondContact CB-O 3.3Å; G266-A293 PolarHBondContact N-O 3.47Å; A293-E297 HydrophobicContact CB-CB 3.68Å; A293-E297 WeakPolarHBondContact CB-OE2 3.37Å; A293-L301 HydrophobicContact CB-CD1 4.32Å
294D86.5Confident85.1Confident80 Ų8064.7 Ų64.743%0.42832%0.315SS..  trans-68.4174.9170.177.119.8000110.9N296 E297 L298D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 3.24Å; D294-N296 PolarHBondContact OD1-N 3.27Å; D294-E297 WeakPolarHBondContact OD1-CB 3.4Å; D294-E297 WeakPolarHBondContact OD1-CG 3.49Å; D294-E297 PolarHBondContact OD1-N 2.73Å; D294-L298 WeakPolarHBondContact O-CB 3.42Å; D294-L298 PolarHBondContact O-N 2.99Å
295K82Confident84.2Confident130 Ų13065.4 Ų65.457%0.56532%0.317SS*.Hα-helixtrans-61-38.2-176.7-169.3178.5177.6-175.70112.6I265 L298 E299I265-K295 HydrophobicContact CD1-CB 4.46Å; K295-L298 PolarHBondContact O-N 2.99Å; K295-E299 WeakPolarHBondContact CE-OE1 3.47Å; K295-E299 WeakPolarHBondContact O-CG 3.46Å; K295-E299 PolarHBondContact O-N 3.33Å
296N80.1Confident83.3Confident114 Ų11470 Ų7061%0.6133%0.333SS*.Hα-helixtrans-72.1-45.4-176.3-66.5-22.2000110.9D294 L298 E299 N300D294-N296 VanDerWaalsContact C-N 3.29Å; D294-N296 PolarHBondContact O-N 3.24Å; D294-N296 PolarHBondContact OD1-N 3.27Å; N296-L298 VanDerWaalsContact C-N 3.33Å; N296-E299 PolarHBondContact O-N 3.44Å; N296-N300 PolarHBondContact O-N 3.09Å; N296-N300 VanDerWaalsContact O-N 3.11Å; N296-N300 PolarHBondContact O-ND2 3.46Å
297E78.2Confident81.9Confident91 Ų9170.3 Ų70.343%0.42534%0.34SS..Hα-helixtrans-62.5-40.6174.1-71.3-178159.500111.4A293 D294 N300 L301A293-E297 HydrophobicContact CB-CB 3.68Å; A293-E297 WeakPolarHBondContact CB-OE2 3.37Å; D294-E297 WeakPolarHBondContact OD1-CB 3.4Å; D294-E297 WeakPolarHBondContact OD1-CG 3.49Å; D294-E297 PolarHBondContact OD1-N 2.73Å; E297-N300 PolarHBondContact O-N 3.37Å; E297-L301 WeakPolarHBondContact O-CG 3.31Å; E297-L301 PolarHBondContact O-N 2.89Å
298L77Confident80.6Confident6 Ų673.1 Ų73.13%0.03135%0.351CS..Hα-helixtrans-65.7-40.3178.8-169.864.2000112.4C259 I265 D294 K295 N296 L301 K302C259-L298 HydrophobicContact CB-CD1 4.33Å; I265-L298 HydrophobicContact CG2-CD2 3.78Å; D294-L298 WeakPolarHBondContact O-CB 3.42Å; D294-L298 PolarHBondContact O-N 2.99Å; K295-L298 PolarHBondContact O-N 2.99Å; N296-L298 VanDerWaalsContact C-N 3.33Å; L298-L301 PolarHBondContact O-N 3.05Å; L298-K302 WeakPolarHBondContact O-CG 3.22Å; L298-K302 PolarHBondContact O-N 2.85Å
299E77.8Confident79.3Confident100 Ų10077.2 Ų77.247%0.46737%0.371SS..Hα-helixtrans-63.7-42.5174.1-76.9-177.3-170.800111.4K295 N296 L301 K302 Q303K295-E299 WeakPolarHBondContact CE-OE1 3.47Å; K295-E299 WeakPolarHBondContact O-CG 3.46Å; K295-E299 PolarHBondContact O-N 3.33Å; N296-E299 PolarHBondContact O-N 3.44Å; E299-L301 VanDerWaalsContact C-N 3.34Å; E299-L301 PolarHBondContact O-N 3.31Å; E299-K302 PolarHBondContact O-N 2.88Å; E299-Q303 WeakPolarHBondContact O-CG 3.04Å; E299-Q303 PolarHBondContact O-N 2.87Å
300N79.1Confident78.1Confident106 Ų10678 Ų7857%0.56738%0.38SS*.Hα-helixtrans-60.1-42.6174-72.8-27.6000112.1N296 E297 Q303 L304N296-N300 PolarHBondContact O-N 3.09Å; N296-N300 VanDerWaalsContact O-N 3.11Å; N296-N300 PolarHBondContact O-ND2 3.46Å; E297-N300 PolarHBondContact O-N 3.37Å; N300-Q303 PolarHBondContact O-N 3.48Å; N300-L304 WeakPolarHBondContact O-CB 3.39Å; N300-L304 PolarHBondContact O-N 3.26Å
301L72.7Confident76.7Confident42 Ų4281 Ų8122%0.2240%0.399CS..Hα-helixtrans-64.3-42.1175.7-74.5167000112.4R193 A293 E297 L298 E299 Q303 L304 Q305R193-L301 WeakPolarHBondContact O-CD1 3.4Å; A293-L301 HydrophobicContact CB-CD1 4.32Å; E297-L301 WeakPolarHBondContact O-CG 3.31Å; E297-L301 PolarHBondContact O-N 2.89Å; L298-L301 PolarHBondContact O-N 3.05Å; E299-L301 VanDerWaalsContact C-N 3.34Å; E299-L301 PolarHBondContact O-N 3.31Å; L301-Q303 VanDerWaalsContact C-N 3.32Å; L301-Q303 PolarHBondContact O-N 3.34Å; L301-L304 PolarHBondContact O-N 3.26Å; L301-Q305 WeakPolarHBondContact O-CB 3.42Å; L301-Q305 WeakPolarHBondContact O-CG 3.3Å; L301-Q305 PolarHBondContact O-N 3.41Å
302K76.4Confident75.3Confident75 Ų7582.9 Ų82.933%0.32641%0.409SS..Hα-helixtrans-61.3-41174.6-75178.7-178175.60111.1S260 D263 L298 E299 K306S260-K302 WeakPolarHBondContact O-CE 3.17Å; D263-K302 IonicContact OD1-NZ 2.89Å; D263-K302 PolarHBondContact OD1-NZ 3.25Å; L298-K302 WeakPolarHBondContact O-CG 3.22Å; L298-K302 PolarHBondContact O-N 2.85Å; E299-K302 PolarHBondContact O-N 2.88Å; K302-K306 WeakPolarHBondContact O-CB 3.39Å; K302-K306 PolarHBondContact O-N 2.92Å
303Q75.6Confident74.3Confident126 Ų12689 Ų8959%0.58944%0.437SS*.Hα-helixtrans-67.2-43.1176.6-68.2-65.9-9.200112.4E299 N300 L301 Q305 K306 H307E299-Q303 WeakPolarHBondContact O-CG 3.04Å; E299-Q303 PolarHBondContact O-N 2.87Å; N300-Q303 PolarHBondContact O-N 3.48Å; L301-Q303 VanDerWaalsContact C-N 3.32Å; L301-Q303 PolarHBondContact O-N 3.34Å; Q303-Q305 PolarHBondContact O-N 2.78Å; Q303-K306 PolarHBondContact O-N 3.22Å; Q303-H307 WeakPolarHBondContact O-CB 3.43Å; Q303-H307 PolarHBondContact O-N 2.94Å
304L71.6Confident73.1Confident102 Ų10292.5 Ų92.553%0.53446%0.455SS..Hα-helixtrans-58.8-46.3174.3-85.1154.6000111.6N300 L301 K306 H307 Q308N300-L304 WeakPolarHBondContact O-CB 3.39Å; N300-L304 PolarHBondContact O-N 3.26Å; L301-L304 PolarHBondContact O-N 3.26Å; L304-K306 PolarHBondContact O-N 3.45Å; L304-H307 PolarHBondContact O-N 3.21Å; L304-Q308 WeakPolarHBondContact O-CG 3.02Å; L304-Q308 PolarHBondContact O-N 2.83Å
305Q71.6Confident71.8Confident69 Ų6995.3 Ų95.332%0.32246%0.464SS..Hα-helixtrans-60.3-45.2175.7-76.1-177.5-25.600111.4L301 Q303 H307 Q308 I309L301-Q305 WeakPolarHBondContact O-CB 3.42Å; L301-Q305 WeakPolarHBondContact O-CG 3.3Å; L301-Q305 PolarHBondContact O-N 3.41Å; Q303-Q305 PolarHBondContact O-N 2.78Å; Q305-H307 PolarHBondContact O-N 3.29Å; Q305-Q308 PolarHBondContact O-N 2.8Å; Q305-I309 VanDerWaalsContact O-CG1 3.27Å; Q305-I309 WeakPolarHBondContact O-CG1 3.37Å; Q305-I309 PolarHBondContact O-N 3.06Å
306K73.5Confident70.6Confident137 Ų13796 Ų9660%0.59647%0.467SS*.Hα-helixtrans-62.9-41.1177.4-168.7177.9-178.9-178.40112.3K302 Q303 L304 I309 T310K302-K306 WeakPolarHBondContact O-CB 3.39Å; K302-K306 PolarHBondContact O-N 2.92Å; Q303-K306 PolarHBondContact O-N 3.22Å; L304-K306 PolarHBondContact O-N 3.45Å; K306-I309 PolarHBondContact O-N 3.21Å; K306-T310 WeakPolarHBondContact O-CB 3.34Å; K306-T310 PolarHBondContact O-N 3.14Å; K306-T310 PolarHBondContact O-OG1 2.95Å
307H66.1Low69.6Low132 Ų13294.7 Ų94.761%0.61146%0.457SS*.Hα-helixtrans-68.1-39178.9-163.371.1000112.1Q303 L304 Q305 T310 T311Q303-H307 WeakPolarHBondContact O-CB 3.43Å; Q303-H307 PolarHBondContact O-N 2.94Å; L304-H307 PolarHBondContact O-N 3.21Å; Q305-H307 PolarHBondContact O-N 3.29Å; H307-T310 PolarHBondContact O-N 2.87Å; H307-T311 WeakPolarHBondContact O-CB 3.28Å; H307-T311 PolarHBondContact O-N 2.89Å; H307-T311 PolarHBondContact O-OG1 2.83Å
308Q67.4Low68.6Low122 Ų12298.7 Ų98.757%0.5747%0.468SS*.Hα-helixtrans-64.5-43.7174.5-75.4-177.9-8.300112.1L304 Q305 T311 N312L304-Q308 WeakPolarHBondContact O-CG 3.02Å; L304-Q308 PolarHBondContact O-N 2.83Å; Q305-Q308 PolarHBondContact O-N 2.8Å; Q308-T311 PolarHBondContact O-N 2.83Å; Q308-N312 WeakPolarHBondContact O-CB 3.38Å; Q308-N312 VanDerWaalsContact O-CG 3.29Å; Q308-N312 PolarHBondContact O-N 2.96Å; Q308-N312 PolarHBondContact O-ND2 3.15Å
309I66.9Low67.5Low100 Ų100102.9 Ų102.951%0.51349%0.494SS..Hα-helixtrans-58.8-49.9175.2-67.2164.3000109.8Q305 K306 T311 N312 E313Q305-I309 VanDerWaalsContact O-CG1 3.27Å; Q305-I309 WeakPolarHBondContact O-CG1 3.37Å; Q305-I309 PolarHBondContact O-N 3.06Å; K306-I309 PolarHBondContact O-N 3.21Å; I309-T311 VanDerWaalsContact C-N 3.35Å; I309-T311 PolarHBondContact O-N 3.37Å; I309-N312 PolarHBondContact O-N 2.89Å; I309-E313 WeakPolarHBondContact O-CG 3.06Å; I309-E313 PolarHBondContact O-N 2.87Å
310T69.5Low66.3Low59 Ų59105.1 Ų105.136%0.36250%0.498SS..Hα-helixtrans-62-41.8179.9-47.80000111.7K306 H307 E313 I314K306-T310 WeakPolarHBondContact O-CB 3.34Å; K306-T310 PolarHBondContact O-N 3.14Å; K306-T310 PolarHBondContact O-OG1 2.95Å; H307-T310 PolarHBondContact O-N 2.87Å; T310-E313 PolarHBondContact O-N 2.96Å; T310-I314 HydrophobicContact CG2-CD1 3.92Å; T310-I314 HydrophobicContact CG2-CG1 4.49Å; T310-I314 WeakPolarHBondContact O-CB 3.38Å; T310-I314 WeakPolarHBondContact O-CG1 3.08Å; T310-I314 PolarHBondContact O-N 2.82Å
311T65.2Low65.2Low63 Ų63108.8 Ų108.839%0.38750%0.504SS..Hα-helixtrans-67.2-39.4178.7-57.10000111.6H307 Q308 I309 I314 K315H307-T311 WeakPolarHBondContact O-CB 3.28Å; H307-T311 PolarHBondContact O-N 2.89Å; H307-T311 PolarHBondContact O-OG1 2.83Å; Q308-T311 PolarHBondContact O-N 2.83Å; I309-T311 VanDerWaalsContact C-N 3.35Å; I309-T311 PolarHBondContact O-N 3.37Å; T311-I314 PolarHBondContact O-N 2.89Å; T311-K315 VanDerWaalsContact O-CB 3.23Å; T311-K315 WeakPolarHBondContact O-CB 3.43Å; T311-K315 PolarHBondContact O-N 3.43Å
312N64.5Low64.1Low83 Ų83118.2 Ų118.244%0.44454%0.537SS..Hα-helixtrans-67.8-39.2175.9-75.6-22.4000111.6Q308 I309 K315 K316Q308-N312 WeakPolarHBondContact O-CB 3.38Å; Q308-N312 VanDerWaalsContact O-CG 3.29Å; Q308-N312 PolarHBondContact O-N 2.96Å; Q308-N312 PolarHBondContact O-ND2 3.15Å; I309-N312 PolarHBondContact O-N 2.89Å; N312-K315 PolarHBondContact O-N 2.59Å; N312-K316 VanDerWaalsContact O-CB 3.26Å; N312-K316 WeakPolarHBondContact O-CB 3.1Å; N312-K316 PolarHBondContact O-N 2.98Å
313E69.6Low62.7Low129 Ų129117 Ų11760%0.60355%0.546SS*.Hα-helixtrans-63.7-46.7172.1-75-176166.100111.6I309 T310 K315 K316 E317I309-E313 WeakPolarHBondContact O-CG 3.06Å; I309-E313 PolarHBondContact O-N 2.87Å; T310-E313 PolarHBondContact O-N 2.96Å; E313-K315 VanDerWaalsContact C-N 3.31Å; E313-K315 PolarHBondContact O-N 2.89Å; E313-K316 PolarHBondContact O-N 2.87Å; E313-E317 WeakPolarHBondContact O-CB 3.34Å; E313-E317 PolarHBondContact O-N 3.42Å
314I63.3Low61Low77 Ų77119.7 Ų119.740%0.39556%0.558SS.*Hα-helixtrans-62-39.9175.6-69.4166.7000110.9T310 T311 E317 R318T310-I314 HydrophobicContact CG2-CD1 3.92Å; T310-I314 HydrophobicContact CG2-CG1 4.49Å; T310-I314 WeakPolarHBondContact O-CB 3.38Å; T310-I314 WeakPolarHBondContact O-CG1 3.08Å; T310-I314 PolarHBondContact O-N 2.82Å; T311-I314 PolarHBondContact O-N 2.89Å; I314-E317 PolarHBondContact O-N 3.46Å; I314-R318 HydrophobicContact CG2-CG 4.45Å; I314-R318 WeakPolarHBondContact O-CB 3.32Å; I314-R318 WeakPolarHBondContact O-CG 3.45Å; I314-R318 PolarHBondContact O-N 3.48Å
315K59.8Low59.7Low139 Ų139124.8 Ų124.860%0.60457%0.57SS**Hα-helixtrans-68.1-41.1177.4-170176.8179.7-176.80110.7T311 N312 E313 E317 R318 V319T311-K315 VanDerWaalsContact O-CB 3.23Å; T311-K315 WeakPolarHBondContact O-CB 3.43Å; T311-K315 PolarHBondContact O-N 3.43Å; N312-K315 PolarHBondContact O-N 2.59Å; E313-K315 VanDerWaalsContact C-N 3.31Å; E313-K315 PolarHBondContact O-N 2.89Å; K315-E317 VanDerWaalsContact C-N 3.34Å; K315-R318 PolarHBondContact O-N 3.39Å; K315-V319 HydrophobicContact CG-CG2 4.49Å; K315-V319 WeakPolarHBondContact O-CB 3.35Å; K315-V319 VanDerWaalsContact O-CG2 3.23Å; K315-V319 WeakPolarHBondContact O-CG2 3.28Å; K315-V319 PolarHBondContact O-N 2.92Å
316K57.3Low58.5Low145 Ų145125.3 Ų125.363%0.6358%0.58SS**Hα-helixtrans-63.3-41.3174.8-165.6171.5-175172.40111.1N312 E313 V319 R320N312-K316 VanDerWaalsContact O-CB 3.26Å; N312-K316 WeakPolarHBondContact O-CB 3.1Å; N312-K316 PolarHBondContact O-N 2.98Å; E313-K316 PolarHBondContact O-N 2.87Å; K316-V319 PolarHBondContact O-N 2.65Å; K316-R320 VanDerWaalsContact O-CB 3.28Å; K316-R320 WeakPolarHBondContact O-CB 3.47Å; K316-R320 PolarHBondContact O-N 2.9Å
317E58.9Low57.5Low86 Ų86126.4 Ų126.440%0.40259%0.589SS.*Hα-helixtrans-66-41.2173.6-174.559.7-158.700111.7E313 I314 K315 R320 R321E313-E317 WeakPolarHBondContact O-CB 3.34Å; E313-E317 PolarHBondContact O-N 3.42Å; I314-E317 PolarHBondContact O-N 3.46Å; K315-E317 VanDerWaalsContact C-N 3.34Å; E317-R320 CarbonylContact O-C 3.56Å; E317-R320 PolarHBondContact O-N 3.06Å; E317-R321 WeakPolarHBondContact O-CG 3.32Å; E317-R321 PolarHBondContact O-N 3.46Å; E317-R321 IonicContact OE1-CZ 2.64Å; E317-R321 IonicContact OE1-NE 3.43Å; E317-R321 PolarHBondContact OE1-NE 2.96Å; E317-R321 IonicContact OE1-NH2 3.66Å
318R56.1Low56.8Low175 Ų175128 Ų12866%0.6660%0.596SS**Hα-helixtrans-67.2-38.9174.7-78.5-170.3-138.2167.25.3112.7I314 K315 R321 R322I314-R318 HydrophobicContact CG2-CG 4.45Å; I314-R318 WeakPolarHBondContact O-CB 3.32Å; I314-R318 WeakPolarHBondContact O-CG 3.45Å; I314-R318 PolarHBondContact O-N 3.48Å; K315-R318 PolarHBondContact O-N 3.39Å; R318-R321 CarbonylContact O-C 3.47Å; R318-R321 WeakPolarHBondContact O-CA 3.24Å; R318-R321 PolarHBondContact O-N 3.36Å; R318-R321 VanDerWaalsContact O-N 3.14Å; R318-R322 WeakPolarHBondContact O-CB 3.31Å; R318-R322 PolarHBondContact O-N 3.31Å
319V54.7Low56.2Low94 Ų94125.1 Ų125.157%0.5758%0.584SS**Hα-helixtrans-64.5-44.3173.9170.20000109.4K315 K316 R321 R322 G323K315-V319 HydrophobicContact CG-CG2 4.49Å; K315-V319 WeakPolarHBondContact O-CB 3.35Å; K315-V319 VanDerWaalsContact O-CG2 3.23Å; K315-V319 WeakPolarHBondContact O-CG2 3.28Å; K315-V319 PolarHBondContact O-N 2.92Å; K316-V319 PolarHBondContact O-N 2.65Å; V319-R321 PolarHBondContact O-N 2.89Å; V319-R321 VanDerWaalsContact O-N 3.16Å; V319-R322 PolarHBondContact O-N 2.94Å; V319-G323 PolarHBondContact O-N 3.22Å
320R52.9Low55.9Low147 Ų147124.6 Ų124.656%0.55559%0.586SS**Hα-helixtrans-59.8-25.4172-161.3177.4-171.8166.73.4113K316 E317K316-R320 VanDerWaalsContact O-CB 3.28Å; K316-R320 WeakPolarHBondContact O-CB 3.47Å; K316-R320 PolarHBondContact O-N 2.9Å; E317-R320 CarbonylContact O-C 3.56Å; E317-R320 PolarHBondContact O-N 3.06Å
321R55.1Low55.7Low183 Ų183126.8 Ų126.869%0.69160%0.603SS**Hα-helixtrans-89.9-14.2172.9-71.5-170.1-169.6-1584.2115.1E317 R318 V319E317-R321 WeakPolarHBondContact O-CG 3.32Å; E317-R321 PolarHBondContact O-N 3.46Å; E317-R321 IonicContact OE1-CZ 2.64Å; E317-R321 IonicContact OE1-NE 3.43Å; E317-R321 PolarHBondContact OE1-NE 2.96Å; E317-R321 IonicContact OE1-NH2 3.66Å; R318-R321 CarbonylContact O-C 3.47Å; R318-R321 WeakPolarHBondContact O-CA 3.24Å; R318-R321 PolarHBondContact O-N 3.36Å; R318-R321 VanDerWaalsContact O-N 3.14Å; V319-R321 PolarHBondContact O-N 2.89Å; V319-R321 VanDerWaalsContact O-N 3.16Å
322R50.6Low55.8Low240 Ų240126.2 Ų126.291%0.90661%0.61SS**Hα-helixtrans-114.9-2-173-105.5-172.1-168.8176.63.8117R318 V319R318-R322 WeakPolarHBondContact O-CB 3.31Å; R318-R322 PolarHBondContact O-N 3.31Å; V319-R322 PolarHBondContact O-N 2.94Å
323G46.1Very low55.9Low50 Ų50127 Ų12752%0.51561%0.611SS.*SBendtrans-164.3114.3169.800000109.3V319V319-G323 PolarHBondContact O-N 3.22Å
324E41.3Very low56Low181 Ų181124.4 Ų124.485%0.84660%0.604SS**  trans64.785.8-176.4-63.5-179.3157.800113.8P326E324-P326 WeakPolarHBondContact O-CD 3.42Å; E324-P326 VanDerWaalsContact O-N 3.15Å
325R44.5Very low56.5Low209 Ų209125 Ų12579%0.78961%0.611SS**  trans-57.8116.6150.6-69.5179.1-179.6156.7-0.1105.5M327R325-M327 PolarHBondContact O-N 3.11Å
326P46.1Very low57.4Low81 Ų81120.6 Ų120.653%0.52661%0.605SS.*  trans-59.4105.3155.325.8-29.7000103.7E324 H328E324-P326 WeakPolarHBondContact O-CD 3.42Å; E324-P326 VanDerWaalsContact O-N 3.15Å; P326-H328 VanDerWaalsContact C-N 3.27Å; P326-H328 PolarHBondContact O-N 3.45Å
327M52.1Low58.4Low160 Ų160118.7 Ų118.779%0.78860%0.6SS**  trans-54.8108.5164.7-85.9-176.7176.500103.7R325 L329R325-M327 PolarHBondContact O-N 3.11Å; M327-L329 HydrophobicContact CB-CG 4.38Å; M327-L329 PolarHBondContact O-N 2.92Å
328H52Low59.3Low166 Ų166117.2 Ų117.277%0.76960%0.603SS**  trans-65.582.5159.1-112.5-74.4000103.8P326 T330P326-H328 VanDerWaalsContact C-N 3.27Å; P326-H328 PolarHBondContact O-N 3.45Å; H328-T330 PolarHBondContact O-N 3.21Å
329L54.4Low60.7Low60 Ų60112.6 Ų112.631%0.31459%0.594SS.*  trans-53.9115.8166.7-76.1155.7000103.6M327 E333 V334 I337M327-L329 HydrophobicContact CB-CG 4.38Å; M327-L329 PolarHBondContact O-N 2.92Å; L329-E333 WeakPolarHBondContact CA-OE2 3.49Å; L329-E333 HydrophobicContact CB-CB 4.07Å; L329-E333 HydrophobicContact CD2-CB 3.37Å; L329-E333 HydrophobicContact CD2-CG 4.37Å; L329-E333 HydrophobicContact CG-CB 4.34Å; L329-V334 HydrophobicContact CB-CB 4.46Å; L329-V334 HydrophobicContact CB-CG2 3.29Å; L329-V334 HydrophobicContact CD1-CG2 4.02Å; L329-V334 HydrophobicContact CG-CG2 4.25Å; L329-I337 HydrophobicContact CD1-CD1 4.14Å; L329-I337 HydrophobicContact CD2-CD1 3.7Å
330T59.7Low62.1Low89 Ų89110.1 Ų110.155%0.54659%0.588SS.*  trans-54.7147.4170.356.10000106.5H328 G332 E333 V334H328-T330 PolarHBondContact O-N 3.21Å; T330-G332 CarbonylContact O-C 3.27Å; T330-G332 PolarHBondContact O-N 3.25Å; T330-E333 PolarHBondContact N-OE2 2.73Å; T330-E333 PolarHBondContact O-N 2.95Å; T330-E333 WeakPolarHBondContact OG1-CG 3.24Å; T330-E333 PolarHBondContact OG1-OE2 2.87Å; T330-E333 VanDerWaalsContact OG1-OE2 3.13Å; T330-V334 PolarHBondContact O-N 2.02Å
331S66.1Low63.6Low105 Ų105106.2 Ų106.273%0.73458%0.583SS**Hα-helixtrans-50-28.8-173.647.10000113V335S331-V335 VanDerWaalsContact O-CG2 3.22Å; S331-V335 WeakPolarHBondContact O-CG2 3.48Å; S331-V335 PolarHBondContact O-N 3.27Å
332G67.1Low65Low51 Ų5199.8 Ų99.853%0.52657%0.569SS.*Hα-helixtrans-66-38.1171.300000115.6T330 G336T330-G332 CarbonylContact O-C 3.27Å; T330-G332 PolarHBondContact O-N 3.25Å; G332-G336 PolarHBondContact O-N 3.07Å
333E65.8Low66.7Low99 Ų9993.1 Ų93.146%0.46355%0.551SS.*Hα-helixtrans-74.7-36.2-179.7-65.3169.4133.600112.3L329 T330 V335 G336 I337L329-E333 WeakPolarHBondContact CA-OE2 3.49Å; L329-E333 HydrophobicContact CB-CB 4.07Å; L329-E333 HydrophobicContact CD2-CB 3.37Å; L329-E333 HydrophobicContact CD2-CG 4.37Å; L329-E333 HydrophobicContact CG-CB 4.34Å; T330-E333 PolarHBondContact N-OE2 2.73Å; T330-E333 PolarHBondContact O-N 2.95Å; T330-E333 WeakPolarHBondContact OG1-CG 3.24Å; T330-E333 PolarHBondContact OG1-OE2 2.87Å; T330-E333 VanDerWaalsContact OG1-OE2 3.13Å; E333-V335 VanDerWaalsContact C-N 3.32Å; E333-V335 PolarHBondContact O-N 2.86Å; E333-G336 PolarHBondContact O-N 2.74Å; E333-I337 WeakPolarHBondContact O-CG1 3.48Å; E333-I337 PolarHBondContact O-N 3Å
334V72.5Confident68.8Low76 Ų7692.2 Ų92.246%0.46154%0.542SS..Hα-helixtrans-61.5-45.4173-176.20000110.1L329 T330 G336 I337 A338L329-V334 HydrophobicContact CB-CB 4.46Å; L329-V334 HydrophobicContact CB-CG2 3.29Å; L329-V334 HydrophobicContact CD1-CG2 4.02Å; L329-V334 HydrophobicContact CG-CG2 4.25Å; T330-V334 PolarHBondContact O-N 2.02Å; V334-G336 VanDerWaalsContact C-N 3.34Å; V334-I337 PolarHBondContact O-N 3.45Å; V334-A338 WeakPolarHBondContact O-CB 3.08Å; V334-A338 PolarHBondContact O-N 2.82Å
335V73.3Confident71.1Confident90 Ų9088.5 Ų88.555%0.54553%0.527SS..Hα-helixtrans-64.8-40.8177.2175.20000110.5S331 E333 I337 A338 V339S331-V335 VanDerWaalsContact O-CG2 3.22Å; S331-V335 WeakPolarHBondContact O-CG2 3.48Å; S331-V335 PolarHBondContact O-N 3.27Å; E333-V335 VanDerWaalsContact C-N 3.32Å; E333-V335 PolarHBondContact O-N 2.86Å; V335-I337 PolarHBondContact O-N 2.83Å; V335-A338 PolarHBondContact O-N 2.8Å; V335-V339 HydrophobicContact CG1-CG2 4.12Å; V335-V339 WeakPolarHBondContact O-CB 3.3Å; V335-V339 VanDerWaalsContact O-CG2 3.27Å; V335-V339 WeakPolarHBondContact O-CG2 3.4Å; V335-V339 PolarHBondContact O-N 2.88Å
336G78.2Confident73.1Confident45 Ų4583.1 Ų83.146%0.46451%0.513SS..Hα-helixtrans-59.6-45.1176.400000113.4G332 E333 V334 G340G332-G336 PolarHBondContact O-N 3.07Å; E333-G336 PolarHBondContact O-N 2.74Å; V334-G336 VanDerWaalsContact C-N 3.34Å; G336-G340 PolarHBondContact O-N 3.05Å
337I78.9Confident75.1Confident105 Ų10585 Ų8554%0.53852%0.518SS..Hα-helixtrans-68.5-40.1177.4-64.7169.1000110.7L329 E333 V334 V335 S341L329-I337 HydrophobicContact CD1-CD1 4.14Å; L329-I337 HydrophobicContact CD2-CD1 3.7Å; E333-I337 WeakPolarHBondContact O-CG1 3.48Å; E333-I337 PolarHBondContact O-N 3Å; V334-I337 PolarHBondContact O-N 3.45Å; V335-I337 PolarHBondContact O-N 2.83Å; I337-S341 VanDerWaalsContact O-CB 3.3Å; I337-S341 WeakPolarHBondContact O-CB 3.4Å; I337-S341 PolarHBondContact O-N 3.46Å; I337-S341 PolarHBondContact O-OG 2.83Å
338A78.4Confident76.7Confident55 Ų5581.7 Ų81.746%0.45551%0.506SS..Hα-helixtrans-64.2-45.2178.200000111.7V334 V335 S341 A342V334-A338 WeakPolarHBondContact O-CB 3.08Å; V334-A338 PolarHBondContact O-N 2.82Å; V335-A338 PolarHBondContact O-N 2.8Å; A338-S341 PolarHBondContact O-OG 3.18Å; A338-A342 WeakPolarHBondContact O-CB 2.95Å; A338-A342 PolarHBondContact O-N 2.93Å; A338-A342 VanDerWaalsContact O-N 3.12Å
339V84.1Confident78.3Confident78 Ų7880.4 Ų80.447%0.47350%0.499SS..Hα-helixtrans-70.4-42.3178.4175.90000111.2V335 S341 A342 L343V335-V339 HydrophobicContact CG1-CG2 4.12Å; V335-V339 WeakPolarHBondContact O-CB 3.3Å; V335-V339 VanDerWaalsContact O-CG2 3.27Å; V335-V339 WeakPolarHBondContact O-CG2 3.4Å; V335-V339 PolarHBondContact O-N 2.88Å; V339-S341 PolarHBondContact O-N 3.08Å; V339-A342 PolarHBondContact O-N 2.96Å; V339-L343 HydrophobicContact CG1-CD1 3.87Å; V339-L343 HydrophobicContact CG1-CG 4.48Å; V339-L343 WeakPolarHBondContact O-CB 3.48Å; V339-L343 WeakPolarHBondContact O-CG 3.5Å; V339-L343 PolarHBondContact O-N 3.18Å
340G84.5Confident79.8Confident43 Ų4381.4 Ų81.444%0.44350%0.504SS..Hα-helixtrans-62.9-40.9177.900000113.1G336 G344G336-G340 PolarHBondContact O-N 3.05Å; G340-G344 PolarHBondContact O-N 2.93Å
341S84.3Confident80.9Confident64 Ų6478.5 Ų78.545%0.44849%0.492SS..Hα-helixtrans-69.4-39.6176.557.30000112.4I337 A338 V339 G344 L345I337-S341 VanDerWaalsContact O-CB 3.3Å; I337-S341 WeakPolarHBondContact O-CB 3.4Å; I337-S341 PolarHBondContact O-N 3.46Å; I337-S341 PolarHBondContact O-OG 2.83Å; A338-S341 PolarHBondContact O-OG 3.18Å; V339-S341 PolarHBondContact O-N 3.08Å; S341-G344 PolarHBondContact O-N 3.33Å; S341-L345 WeakPolarHBondContact O-CB 3.4Å; S341-L345 WeakPolarHBondContact O-CG 3.4Å; S341-L345 PolarHBondContact O-N 3.09Å
342A84.6Confident81.6Confident48 Ų4876.9 Ų76.940%0.39748%0.479SS..Hα-helixtrans-63.1-45.9174.400000111.9A338 V339 L345 I346A338-A342 WeakPolarHBondContact O-CB 2.95Å; A338-A342 PolarHBondContact O-N 2.93Å; A338-A342 VanDerWaalsContact O-N 3.12Å; V339-A342 PolarHBondContact O-N 2.96Å; A342-L345 PolarHBondContact O-N 3.11Å; A342-I346 WeakPolarHBondContact O-CD1 3.23Å; A342-I346 VanDerWaalsContact O-CG1 3.27Å; A342-I346 WeakPolarHBondContact O-CG1 3.5Å; A342-I346 PolarHBondContact O-N 3.21Å
343L87.6Confident82.2Confident100 Ų10079.5 Ų79.552%0.52448%0.48SS..Hα-helixtrans-64.8-41.8176.6-76.1167.8000112.2V339 L345 I346 L347V339-L343 HydrophobicContact CG1-CD1 3.87Å; V339-L343 HydrophobicContact CG1-CG 4.48Å; V339-L343 WeakPolarHBondContact O-CB 3.48Å; V339-L343 WeakPolarHBondContact O-CG 3.5Å; V339-L343 PolarHBondContact O-N 3.18Å; L343-L345 PolarHBondContact O-N 2.95Å; L343-I346 PolarHBondContact O-N 3.35Å; L343-L347 WeakPolarHBondContact O-CG 3.41Å; L343-L347 PolarHBondContact O-N 3.49Å
344G89.7Confident82.7Confident32 Ų3279.3 Ų79.333%0.3348%0.481SS..Hα-helixtrans-60-45.1176.400000112.1G340 S341 L347 V348G340-G344 PolarHBondContact O-N 2.93Å; S341-G344 PolarHBondContact O-N 3.33Å; G344-L347 PolarHBondContact O-N 3.22Å; G344-V348 WeakPolarHBondContact O-CG2 3.37Å; G344-V348 PolarHBondContact O-N 2.83Å
345L88.6Confident82.6Confident103 Ų10382 Ų8254%0.53949%0.492SS..Hα-helixtrans-63.6-43.9175.8-77.5171.5000112S341 A342 L343 L347 V348 F349S341-L345 WeakPolarHBondContact O-CB 3.4Å; S341-L345 WeakPolarHBondContact O-CG 3.4Å; S341-L345 PolarHBondContact O-N 3.09Å; A342-L345 PolarHBondContact O-N 3.11Å; L343-L345 PolarHBondContact O-N 2.95Å; L345-L347 VanDerWaalsContact C-N 3.31Å; L345-L347 PolarHBondContact O-N 2.58Å; L345-V348 PolarHBondContact O-N 2.01Å; L345-F349 WeakPolarHBondContact O-CD2 3.2Å; L345-F349 PolarHBondContact O-N 2.87Å
346I87.6Confident82.3Confident96 Ų9687.9 Ų87.949%0.49251%0.505SS..Hα-helixtrans-59-44176.8-70.1164000110.8A342 L343 V348 F349 I350A342-I346 WeakPolarHBondContact O-CD1 3.23Å; A342-I346 VanDerWaalsContact O-CG1 3.27Å; A342-I346 WeakPolarHBondContact O-CG1 3.5Å; A342-I346 PolarHBondContact O-N 3.21Å; L343-I346 PolarHBondContact O-N 3.35Å; I346-V348 PolarHBondContact O-N 3.34Å; I346-F349 PolarHBondContact O-N 3.39Å; I346-I350 HydrophobicContact CG2-CD1 3.73Å; I346-I350 HydrophobicContact CG2-CG1 4.4Å; I346-I350 VanDerWaalsContact O-CG1 3.28Å; I346-I350 WeakPolarHBondContact O-CG1 3.21Å; I346-I350 PolarHBondContact O-N 3.4Å
347L87Confident81.4Confident121 Ų12191.9 Ų91.963%0.63452%0.515SS*.Hα-helixtrans-64.6-38.7177.2-72.2173.4000112.6L343 G344 L345 I350 G351L343-L347 WeakPolarHBondContact O-CG 3.41Å; L343-L347 PolarHBondContact O-N 3.49Å; G344-L347 PolarHBondContact O-N 3.22Å; L345-L347 VanDerWaalsContact C-N 3.31Å; L345-L347 PolarHBondContact O-N 2.58Å; L347-I350 PolarHBondContact O-N 2.91Å; L347-G351 PolarHBondContact O-N 3.07Å
348V87.3Confident80.3Confident89 Ų8992.6 Ų92.654%0.53952%0.52SS..Hα-helixtrans-64-43.3174.1171.20000110.8G344 L345 I346 G351 C352G344-V348 WeakPolarHBondContact O-CG2 3.37Å; G344-V348 PolarHBondContact O-N 2.83Å; L345-V348 PolarHBondContact O-N 2.01Å; I346-V348 PolarHBondContact O-N 3.34Å; V348-G351 PolarHBondContact O-N 3.26Å; V348-C352 WeakPolarHBondContact O-CB 3.45Å; V348-C352 PolarHBondContact O-N 2.99Å; V348-C352 PolarHBondContact O-SG 2.94Å; V348-C352 VanDerWaalsContact O-SG 3.39Å
349F85.2Confident78.9Confident140 Ų14093 Ų9361%0.61453%0.53SS*.Hα-helixtrans-63.1-42.9176-83.3-70000112L345 I346 C352 I353L345-F349 WeakPolarHBondContact O-CD2 3.2Å; L345-F349 PolarHBondContact O-N 2.87Å; I346-F349 PolarHBondContact O-N 3.39Å; F349-C352 PolarHBondContact O-N 3.44Å; F349-I353 VanDerWaalsContact O-CG1 3.26Å; F349-I353 WeakPolarHBondContact O-CG1 3.48Å; F349-I353 PolarHBondContact O-N 3.47Å
350I85.4Confident77Confident81 Ų8198.7 Ų98.742%0.41555%0.548SS..Hα-helixtrans-63-45.1175.5-67.5167.3000110.5I346 L347 C352 I353 I354I346-I350 HydrophobicContact CG2-CD1 3.73Å; I346-I350 HydrophobicContact CG2-CG1 4.4Å; I346-I350 VanDerWaalsContact O-CG1 3.28Å; I346-I350 WeakPolarHBondContact O-CG1 3.21Å; I346-I350 PolarHBondContact O-N 3.4Å; L347-I350 PolarHBondContact O-N 2.91Å; I350-C352 VanDerWaalsContact C-N 3.35Å; I350-C352 PolarHBondContact O-N 2.72Å; I350-I353 PolarHBondContact O-N 3.25Å; I350-I354 HydrophobicContact CG2-CD1 3.72Å; I350-I354 HydrophobicContact CG2-CG1 4.32Å; I350-I354 WeakPolarHBondContact O-CG1 3.36Å; I350-I354 PolarHBondContact O-N 3.29Å
351G82.7Confident75.1Confident28 Ų28101 Ų10129%0.28956%0.558SS.*Hα-helixtrans-59.5-43.6176.800000112.5L347 V348 I353 I354 L355L347-G351 PolarHBondContact O-N 3.07Å; V348-G351 PolarHBondContact O-N 3.26Å; G351-I353 PolarHBondContact O-N 2.99Å; G351-I354 PolarHBondContact O-N 2.76Å; G351-L355 WeakPolarHBondContact O-CB 2.91Å; G351-L355 WeakPolarHBondContact O-CG 3.44Å; G351-L355 PolarHBondContact O-N 2.79Å
352C80.8Confident73.1Confident70 Ų70103.5 Ų103.547%0.47358%0.575SS.*Hα-helixtrans-63.5-39.7174.7-770000112.4V348 F349 I350 R356V348-C352 WeakPolarHBondContact O-CB 3.45Å; V348-C352 PolarHBondContact O-N 2.99Å; V348-C352 PolarHBondContact O-SG 2.94Å; V348-C352 VanDerWaalsContact O-SG 3.39Å; F349-C352 PolarHBondContact O-N 3.44Å; I350-C352 VanDerWaalsContact C-N 3.35Å; I350-C352 PolarHBondContact O-N 2.72Å; C352-R356 WeakPolarHBondContact O-CB 3.43Å; C352-R356 PolarHBondContact O-N 2.76Å
353I79.7Confident71.1Confident106 Ų106106.9 Ų106.954%0.54459%0.593SS.*Hα-helixtrans-67.3-43.1177.3-69.4167.4000110.7F349 I350 G351 R356 N357F349-I353 VanDerWaalsContact O-CG1 3.26Å; F349-I353 WeakPolarHBondContact O-CG1 3.48Å; F349-I353 PolarHBondContact O-N 3.47Å; I350-I353 PolarHBondContact O-N 3.25Å; G351-I353 PolarHBondContact O-N 2.99Å; I353-R356 PolarHBondContact O-N 2.8Å; I353-N357 PolarHBondContact O-N 2.9Å
354I77.1Confident68.8Low95 Ų95110.1 Ų110.149%0.48761%0.61SS.*Hα-helixtrans-64.1-45.6177.4-66.5169.8000110.6I350 G351 R356 N357 N358I350-I354 HydrophobicContact CG2-CD1 3.72Å; I350-I354 HydrophobicContact CG2-CG1 4.32Å; I350-I354 WeakPolarHBondContact O-CG1 3.36Å; I350-I354 PolarHBondContact O-N 3.29Å; G351-I354 PolarHBondContact O-N 2.76Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.04Å; I354-N357 PolarHBondContact O-N 3.11Å; I354-N358 PolarHBondContact O-N 3.21Å
355L69.4Low66.7Low132 Ų132113.9 Ų113.969%0.69163%0.628SS**Hα-helixtrans-63.4-37.9177.1-76166.1000111.9G351 G359G351-L355 WeakPolarHBondContact O-CB 2.91Å; G351-L355 WeakPolarHBondContact O-CG 3.44Å; G351-L355 PolarHBondContact O-N 2.79Å; L355-G359 PolarHBondContact O-N 2.81Å
356R68.1Low64.3Low215 Ų215118.9 Ų118.981%0.81165%0.646SS**Hα-helixtrans-68.3-36.8174.4-105.1-178.3163.5165.8-3.3113C352 I353 I354 G359C352-R356 WeakPolarHBondContact O-CB 3.43Å; C352-R356 PolarHBondContact O-N 2.76Å; I353-R356 PolarHBondContact O-N 2.8Å; I354-R356 VanDerWaalsContact C-N 3.32Å; I354-R356 PolarHBondContact O-N 3.04Å; R356-G359 PolarHBondContact O-N 3.28Å
357N58.1Low61.9Low129 Ų129123.7 Ų123.769%0.6967%0.666SS**Hα-helixtrans-72.9-31.3177.3-94.35.7000112.7I353 I354 G359I353-N357 PolarHBondContact O-N 2.9Å; I354-N357 PolarHBondContact O-N 3.11Å; N357-G359 VanDerWaalsContact C-N 3.29Å; N357-G359 PolarHBondContact O-N 3.01Å
358N56.7Low59.5Low120 Ų120121 Ų12164%0.64267%0.667SS**Hα-helixtrans-79.8-9.4175.2-75.3-5.7000113.7I354 K360I354-N358 PolarHBondContact O-N 3.21Å; N358-K360 PolarHBondContact O-N 3.24Å
359G49.1Very low57.2Low63 Ų63125.9 Ų125.965%0.64968%0.684SS**THydrogen-bonded Turntrans-73.2-0.9177.900000115.5L355 R356 N357 S361L355-G359 PolarHBondContact O-N 2.81Å; R356-G359 PolarHBondContact O-N 3.28Å; N357-G359 VanDerWaalsContact C-N 3.29Å; N357-G359 PolarHBondContact O-N 3.01Å; G359-S361 PolarHBondContact O-N 3.07Å
360K43.7Very low55.2Low198 Ų198127.5 Ų127.586%0.86170%0.697SS**SBendtrans-99.558.9173.2-77.1-174.4177.6177.60111.8N358N358-K360 PolarHBondContact O-N 3.24Å
361S44.3Very low53Low92 Ų92129.5 Ų129.564%0.64372%0.715SS**SBendtrans-158.5115.1159.534.40000110.9G359G359-S361 PolarHBondContact O-N 3.07Å
362S41.7Very low51Low115 Ų115131.5 Ų131.580%0.80474%0.736SS**  trans93.198.4155.1-51.40000117.6
363P42.3Very low49.4Very low119 Ų119137.7 Ų137.777%0.77376%0.758SS**  trans-92.4119.4168.633.3-25.2000110.2
364L40.5Very low47.4Very low169 Ų169144 Ų14489%0.88578%0.775SS**  trans-155154.2169-92.4-175.8000110.7
365P45.1Very low45.9Very low110 Ų110149.6 Ų149.671%0.71481%0.813SS**  -118.6162.1-111.335.6-22.9000114.4H367P365-H367 PolarHBondContact O-N 3.26Å
366F39Very low44.7Very low209 Ų209150.5 Ų150.592%0.91782%0.819SS**  trans-60.2114.3173-76-96.6000112.8
367H35.9Very low43.5Very low197 Ų197147.1 Ų147.191%0.91282%0.82SS**  trans-141.6110.8152.3-98.223.9000104.2P365P365-H367 PolarHBondContact O-N 3.26Å
368G37.2Very low42.7Very low64 Ų64148.1 Ų148.166%0.6683%0.827SS**  10710156.900000106.4
369H38.7Very low41.9Very low192 Ų192149.8 Ų149.889%0.88984%0.838SS**  trans174.9113.6145.2-92.5-58.9000109.1P371H369-P371 WeakPolarHBondContact O-CD 3.49Å
370I42.6Very low41.4Very low174 Ų174155.2 Ų155.289%0.89285%0.85SS**  trans-100.3111.3166.5-62.9168.7000106
371P39.2Very low41.3Very low122 Ų122152.3 Ų152.379%0.79285%0.849SS**  trans-106.9130.1168.632.6-21.1000110.6H369H369-P371 WeakPolarHBondContact O-CD 3.49Å
372G41.8Very low41.1Very low71 Ų71156.6 Ų156.673%0.73286%0.864SS**  trans126.358.7158.100000116.5R374G372-R374 PolarHBondContact O-N 3.26Å
373Q47Very low41Very low199 Ų199159.8 Ų159.893%0.9387%0.868SS**  trans-73118.4159.1-170.2169.6-6.400108.2
374R37.2Very low40.9Very low239 Ų239163.3 Ų163.390%0.90288%0.876SS**  trans-73.4142.8177.1-76-178.5176.2177.8-1.5110.5G372G372-R374 PolarHBondContact O-N 3.26Å
375V46.5Very low40.9Very low213 Ų213162.7 Ų162.7100%1.29188%0.876SS**  trans-55.40172.7-176.20000111.7

Retrieved 375 of 375 residues in 158.9 ms (Link to these results)

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