A0A5K4EID0_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EID0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 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
1M56.2Low57.1Low193 Ų193110.8 Ų110.895%0.95159%0.586SS**  0-460-94.8-170.57100113.6H3 L4 I5M1-H3 PolarHBondContact O-N 2.92Å; M1-L4 PolarHBondContact O-N 2.78Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-I5 HydrophobicContact CE-CD1 4.26Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.1Å
2L65Low56Low131 Ų131111.7 Ų111.769%0.68659%0.59SS**Hα-helixtrans-60.7-38.8-176.1-162.871.2000114.4L4 I5 L6L2-L4 PolarHBondContact O-N 2.81Å; L2-I5 PolarHBondContact O-N 3.12Å; L2-L6 HydrophobicContact CG-CD1 4.4Å; L2-L6 PolarHBondContact O-N 3.05Å
3H53.8Low54.7Low158 Ų158115.5 Ų115.573%0.73160%0.603SS**Hα-helixtrans-68.2-30.2175.8-83.7-48.1000114.2M1 L7M1-H3 PolarHBondContact O-N 2.92Å; H3-L7 WeakPolarHBondContact O-CB 3.16Å; H3-L7 PolarHBondContact O-N 3Å
4L62.3Low53.8Low118 Ų118120.6 Ų120.662%0.61862%0.618SS**Hα-helixtrans-72.5-37.4176-162.574.9000110.5M1 L2 L7 I8M1-L4 PolarHBondContact O-N 2.78Å; M1-L4 VanDerWaalsContact O-N 3.16Å; L2-L4 PolarHBondContact O-N 2.81Å; L4-L7 PolarHBondContact O-N 2.8Å; L4-I8 HydrophobicContact CG-CD1 4.28Å; L4-I8 WeakPolarHBondContact O-CD1 3.26Å; L4-I8 VanDerWaalsContact O-CG1 3.22Å; L4-I8 WeakPolarHBondContact O-CG1 3.22Å; L4-I8 PolarHBondContact O-N 3.28Å
5I67.5Low53.1Low76 Ų76118.5 Ų118.539%0.3962%0.618SS.*Hα-helixtrans-66.2-43.2175.1-64.5166.9000110.5M1 L2 I8 I9M1-I5 HydrophobicContact CE-CD1 4.26Å; M1-I5 WeakPolarHBondContact O-CG1 3.46Å; M1-I5 PolarHBondContact O-N 3.1Å; L2-I5 PolarHBondContact O-N 3.12Å; I5-I8 PolarHBondContact O-N 3.2Å; I5-I9 HydrophobicContact CG2-CD1 3.65Å; I5-I9 HydrophobicContact CG2-CG1 4.38Å; I5-I9 VanDerWaalsContact O-CG1 3.22Å; I5-I9 WeakPolarHBondContact O-CG1 3.31Å; I5-I9 PolarHBondContact O-N 2.9Å
6L59Low52.8Low95 Ų95116.6 Ų116.650%0.49761%0.609SS.*Hα-helixtrans-65.1-38.2175.1-106.8104.8000113L2 I9 C10L2-L6 HydrophobicContact CG-CD1 4.4Å; L2-L6 PolarHBondContact O-N 3.05Å; L6-I9 PolarHBondContact O-N 3.44Å; L6-C10 VanDerWaalsContact O-CB 3.31Å; L6-C10 WeakPolarHBondContact O-CB 3.22Å; L6-C10 PolarHBondContact O-N 3.43Å; L6-C10 PolarHBondContact O-SG 2.9Å
7L56.6Low52.9Low110 Ų110114.7 Ų114.758%0.57661%0.608SS**Hα-helixtrans-65.7-38175-96.3151.5000112.1H3 L4 S11H3-L7 WeakPolarHBondContact O-CB 3.16Å; H3-L7 PolarHBondContact O-N 3Å; L4-L7 PolarHBondContact O-N 2.8Å; L7-S11 WeakPolarHBondContact O-CB 3.3Å; L7-S11 PolarHBondContact O-N 3.49Å; L7-S11 PolarHBondContact O-OG 2.75Å
8I55.6Low53.4Low91 Ų91108.8 Ų108.847%0.46758%0.577SS.*Hα-helixtrans-67.5-44.4174.8-67.3164.8000110.1L4 I5 S11 L12L4-I8 HydrophobicContact CG-CD1 4.28Å; L4-I8 WeakPolarHBondContact O-CD1 3.26Å; L4-I8 VanDerWaalsContact O-CG1 3.22Å; L4-I8 WeakPolarHBondContact O-CG1 3.22Å; L4-I8 PolarHBondContact O-N 3.28Å; I5-I8 PolarHBondContact O-N 3.2Å; I8-S11 PolarHBondContact O-N 3.15Å; I8-L12 HydrophobicContact CG2-CD1 3.57Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 VanDerWaalsContact O-CD1 3.25Å; I8-L12 WeakPolarHBondContact O-CD1 3.45Å; I8-L12 PolarHBondContact O-N 3.42Å
9I53.4Low54.3Low96 Ų96110.7 Ų110.749%0.49258%0.58SS.*Hα-helixtrans-65.2-43.7178.1-64.6166.7000111.2I5 L6 S11 L12 E13I5-I9 HydrophobicContact CG2-CD1 3.65Å; I5-I9 HydrophobicContact CG2-CG1 4.38Å; I5-I9 VanDerWaalsContact O-CG1 3.22Å; I5-I9 WeakPolarHBondContact O-CG1 3.31Å; I5-I9 PolarHBondContact O-N 2.9Å; L6-I9 PolarHBondContact O-N 3.44Å; I9-S11 VanDerWaalsContact C-N 3.33Å; I9-S11 PolarHBondContact O-N 2.85Å; I9-L12 PolarHBondContact O-N 2.88Å; I9-E13 PolarHBondContact O-N 3.29Å; I9-E13 VanDerWaalsContact O-N 3.07Å
10C51.5Low55.8Low71 Ų71106.8 Ų106.848%0.4856%0.558SS.*Hα-helixtrans-71-24.5176.7-73.10000113.7L6L6-C10 VanDerWaalsContact O-CB 3.31Å; L6-C10 WeakPolarHBondContact O-CB 3.22Å; L6-C10 PolarHBondContact O-N 3.43Å; L6-C10 PolarHBondContact O-SG 2.9Å
11S47.5Very low57.3Low80 Ų80103.9 Ų103.956%0.55955%0.546SS*.Hα-helixtrans-79.8-30.3173.8-56.50000112L7 I8 I9L7-S11 WeakPolarHBondContact O-CB 3.3Å; L7-S11 PolarHBondContact O-N 3.49Å; L7-S11 PolarHBondContact O-OG 2.75Å; I8-S11 PolarHBondContact O-N 3.15Å; I9-S11 VanDerWaalsContact C-N 3.33Å; I9-S11 PolarHBondContact O-N 2.85Å
12L43.2Very low59Low121 Ų12195.4 Ų95.463%0.63451%0.505SS*.Hα-helixtrans-74.8-27.4173.2-94.8119.3000112.8I8 I9 K14I8-L12 HydrophobicContact CG2-CD1 3.57Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 VanDerWaalsContact O-CD1 3.25Å; I8-L12 WeakPolarHBondContact O-CD1 3.45Å; I8-L12 PolarHBondContact O-N 3.42Å; I9-L12 PolarHBondContact O-N 2.88Å; L12-K14 PolarHBondContact O-N 3.47Å
13E40Very low60.4Low161 Ų16191.4 Ų91.475%0.75249%0.488SS*.THydrogen-bonded Turntrans-70.8-13178.4-111.8177.1170.400114.4I9I9-E13 PolarHBondContact O-N 3.29Å; I9-E13 VanDerWaalsContact O-N 3.07Å
14K41.7Very low62.3Low188 Ų18884.5 Ų84.582%0.81746%0.456SS*.THydrogen-bonded Turntrans-107.110.1-162.6-144.3175.1-178.9174.70117L12L12-K14 PolarHBondContact O-N 3.47Å
15S43Very low63.7Low89 Ų8981.9 Ų81.962%0.62244%0.442SS*.SBendtrans-142.68.4178.270.50000118.8S17S15-S17 PolarHBondContact O-N 2.79Å
16D47.9Very low64.8Low87 Ų8781 Ų8147%0.46544%0.441SS..  trans-9040.3176.2-73.6-16.8000112.6T18 I46D16-T18 PolarHBondContact O-N 3.28Å; D16-I46 WeakPolarHBondContact OD2-CD1 3.25Å
17S55.1Low66Low85 Ų8580.6 Ų80.659%0.59445%0.452SS*.  trans-67.5108.6164.665.80000107.4S15 K19S15-S17 PolarHBondContact O-N 2.79Å; S17-K19 PolarHBondContact O-N 2.85Å
18T61.6Low67.2Low8 Ų882.1 Ų82.15%0.04946%0.46CS..  trans-47.7111.6167.249.50000108.3D16 Q44 I46D16-T18 PolarHBondContact O-N 3.28Å; T18-Q44 CarbonylContact C-O 3.52Å; T18-Q44 WeakPolarHBondContact CA-O 3.3Å; T18-I46 WeakPolarHBondContact CG2-O 3.21Å
19K71.8Confident68.4Low146 Ų14680.8 Ų80.864%0.63545%0.452SS*.EExtended strand (participates in β ladder)trans-83.3129.3174.2-72.1-177.8-178.1175.70106.3S17 Q44S17-K19 PolarHBondContact O-N 2.85Å; K19-Q44 HydrophobicContact CB-CB 4.34Å; K19-Q44 PolarHBondContact N-O 3.19Å; K19-Q44 CarbonylContact O-C 3.58Å; K19-Q44 WeakPolarHBondContact O-CA 3.31Å; K19-Q44 WeakPolarHBondContact O-CB 3.47Å; K19-Q44 PolarHBondContact O-N 3.41Å
20F82.7Confident70.2Confident31 Ų3178.2 Ų78.214%0.13644%0.442CS..EExtended strand (participates in β ladder)trans-134.8145.3174.864.4-66.7000107.9Q42 I43 N112 K113 T114F20-Q42 CarbonylContact C-O 3.52Å; F20-Q42 WeakPolarHBondContact CA-O 3.22Å; F20-Q42 VanDerWaalsContact CB-O 3.29Å; F20-Q42 WeakPolarHBondContact CB-O 3.43Å; F20-I43 HydrophobicContact CB-CG1 4.08Å; F20-N112 HydrophobicContact CD1-CB 4.31Å; F20-N112 HydrophobicContact CE1-CB 3.31Å; F20-N112 HydrophobicContact CE2-CB 4.42Å; F20-N112 VanDerWaalsContact CZ-C 3.48Å; F20-N112 HydrophobicContact CZ-CB 3.39Å; F20-K113 VanDerWaalsContact CE2-C 3.41Å; F20-T114 HydrophobicContact CD2-CG2 3.77Å; F20-T114 VanDerWaalsContact CD2-OG1 3.3Å; F20-T114 WeakPolarHBondContact CD2-OG1 3.32Å; F20-T114 HydrophobicContact CE1-CG2 4.24Å; F20-T114 HydrophobicContact CE2-CG2 3.48Å; F20-T114 VanDerWaalsContact CE2-CG2 3.48Å; F20-T114 WeakPolarHBondContact CE2-OG1 3.47Å; F20-T114 HydrophobicContact CG-CG2 4.3Å; F20-T114 HydrophobicContact CZ-CG2 3.67Å; F20-T114 WeakPolarHBondContact O-CG2 3.48Å
21S88.4Confident72.2Confident46 Ų4674.8 Ų74.832%0.32242%0.419SS..EExtended strand (participates in β ladder)trans-131.5146.9-173.861.50000109.5C41 Q42S21-C41 CarbonylContact O-C 3.49Å; S21-C41 VanDerWaalsContact O-CA 3.25Å; S21-C41 WeakPolarHBondContact O-CA 3.24Å; S21-Q42 PolarHBondContact N-O 3.36Å; S21-Q42 PolarHBondContact O-N 2.92Å
22L92.3Very high74.4Confident16 Ų1673.6 Ų73.68%0.08441%0.406CS..EExtended strand (participates in β ladder)trans-118.8123.8172.417860.7000107.5L39 R40 C41 F56 W105 C107 Q116L22-L39 HydrophobicContact CD1-CB 4.14Å; L22-R40 WeakPolarHBondContact CA-O 3.24Å; L22-C41 HydrophobicContact CD1-CB 4.29Å; L22-F56 HydrophobicContact CD1-CE1 3.85Å; L22-W105 HydrophobicContact CD2-CB 4.45Å; L22-W105 WeakPolarHBondContact CD2-O 3.46Å; L22-C107 HydrophobicContact CB-CB 4.36Å; L22-C107 HydrophobicContact CD1-CB 4.28Å; L22-C107 HydrophobicContact CD2-CB 4.33Å; L22-Q116 HydrophobicContact CB-CB 4.41Å; L22-Q116 HydrophobicContact CD2-CB 3.7Å; L22-Q116 HydrophobicContact CG-CB 3.8Å
23S94Very high76.8Confident46 Ų4671.4 Ų71.432%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-126.7156.2176.558.80000111L39 R40S23-L39 WeakPolarHBondContact O-CA 3.27Å; S23-R40 PolarHBondContact N-O 3.48Å; S23-R40 PolarHBondContact O-N 2.85Å; S23-R40 PolarHBondContact OG-O 2.87Å
24I93.8Very high79.4Confident13 Ų1365.6 Ų65.67%0.06738%0.378CS..EExtended strand (participates in β ladder)trans-107134.1175.9-60.1161.7000108.9P26 A27 V37 I38 L39 Q116 T117 L118I24-P26 CarbonylContact O-C 3.56Å; I24-A27 PolarHBondContact O-N 3.46Å; I24-V37 HydrophobicContact CG2-CG1 3.51Å; I24-I38 WeakPolarHBondContact CA-O 3.45Å; I24-L39 HydrophobicContact CB-CD2 4.37Å; I24-L39 HydrophobicContact CD1-CD2 4.49Å; I24-L39 HydrophobicContact CG1-CD2 3.55Å; I24-L39 HydrophobicContact CG2-CD2 4.38Å; I24-Q116 HydrophobicContact CD1-CG 3.44Å; I24-Q116 VanDerWaalsContact CD1-CG 3.44Å; I24-Q116 HydrophobicContact CG1-CG 3.66Å; I24-T117 WeakPolarHBondContact CD1-O 3.29Å; I24-L118 HydrophobicContact CD1-CB 4.37Å; I24-L118 HydrophobicContact CD1-CD1 4.02Å; I24-L118 HydrophobicContact CG2-CD1 4.21Å
25I92.2Very high81.9Confident64 Ų6460.7 Ų60.733%0.32836%0.358SS..EExtended strand (participates in β ladder)trans-120127.5172.9-53.8169.9000107.8I38 R40I25-I38 HydrophobicContact CB-CB 4.15Å; I25-I38 PolarHBondContact N-O 3.34Å; I25-I38 PolarHBondContact O-N 2.87Å; I25-R40 HydrophobicContact CD1-CB 4.16Å
26P89.2Confident84.4Confident57 Ų5762.3 Ų62.337%0.3735%0.354SS..SBendcis-68.2148.60.230.3-35.3000112.5I24 N28I24-P26 CarbonylContact O-C 3.56Å; P26-N28 PolarHBondContact O-N 3.21Å
27A85.5Confident86.7Confident87 Ų8758.2 Ų58.272%0.71933%0.331SS*.SBendtrans-67.9-18.5177.400000112.7I24 Q29I24-A27 PolarHBondContact O-N 3.46Å; A27-Q29 VanDerWaalsContact C-N 3.32Å; A27-Q29 PolarHBondContact O-N 2.83Å
28N80.9Confident88.7Confident141 Ų14155.6 Ų55.675%0.75431%0.31SS*.SBendtrans-7286.3174.1-66-9.2000109.5P26P26-N28 PolarHBondContact O-N 3.21Å
29Q81.3Confident90.4Very high63 Ų6355.2 Ų55.229%0.29431%0.308SS..PPolyproline II helixtrans-85.4154.6167.7-68-69.7-54.300110A27 E119A27-Q29 VanDerWaalsContact C-N 3.32Å; A27-Q29 PolarHBondContact O-N 2.83Å; Q29-E119 PolarHBondContact OE1-O 2.86Å
30P91.4Very high91.5Very high42 Ų4251.7 Ų51.727%0.27329%0.291SS..SBendcis-78.4161.9-5.7-25.842.8000114.4E119 Y121P30-E119 HydrophobicContact CB-CB 3.98Å; P30-E119 HydrophobicContact CB-CG 3.92Å; P30-E119 HydrophobicContact CG-CB 4.11Å; P30-E119 HydrophobicContact CG-CG 3.87Å; P30-Y121 HydrophobicContact CB-CD1 3.6Å; P30-Y121 HydrophobicContact CB-CD2 4.13Å; P30-Y121 HydrophobicContact CB-CE1 3.58Å; P30-Y121 HydrophobicContact CB-CE2 4.1Å; P30-Y121 HydrophobicContact CB-CG 3.92Å; P30-Y121 HydrophobicContact CG-CD1 4.06Å; P30-Y121 HydrophobicContact CG-CE1 3.47Å; P30-Y121 VanDerWaalsContact CG-CE1 3.47Å; P30-Y121 HydrophobicContact CG-CE2 4.01Å; P30-Y121 VanDerWaalsContact CG-CZ 3.46Å
31V93.5Very high92Very high0 Ų050.2 Ų50.20%029%0.285CS..EExtended strand (participates in β ladder)trans-98.9149.1178.7-640000111.8V37 V97 L118 E119 V120 Y121V31-V37 HydrophobicContact CB-CG2 4.1Å; V31-V37 HydrophobicContact CG1-CG2 3.76Å; V31-V37 HydrophobicContact CG2-CG2 3.99Å; V31-V97 HydrophobicContact CG2-CG1 4.37Å; V31-L118 HydrophobicContact CG2-CD1 3.8Å; V31-L118 HydrophobicContact CG2-CG 4.43Å; V31-E119 WeakPolarHBondContact CG2-O 3.22Å; V31-E119 PolarHBondContact N-O 3.03Å; V31-V120 HydrophobicContact CG2-CG2 4.1Å; V31-V120 CarbonylContact O-C 3.58Å; V31-V120 VanDerWaalsContact O-CA 3.31Å; V31-V120 WeakPolarHBondContact O-CA 3.48Å; V31-Y121 PolarHBondContact O-N 2.82Å
32L93.5Very high92.2Very high55 Ų5550.4 Ų50.429%0.28828%0.28SS..EExtended strand (participates in β ladder)trans-84.8147.5175.7-62.9171000111.4G34 Q35 Y121 P123 Q278L32-G34 PolarHBondContact O-N 3.47Å; L32-Q35 HydrophobicContact CB-CG 4.05Å; L32-Q35 VanDerWaalsContact O-CB 3.31Å; L32-Q35 WeakPolarHBondContact O-CB 3.45Å; L32-Q35 WeakPolarHBondContact O-CG 3.28Å; L32-Q35 PolarHBondContact O-N 3Å; L32-Q35 VanDerWaalsContact O-N 3.16Å; L32-Y121 WeakPolarHBondContact CA-O 3.24Å; L32-P123 HydrophobicContact CD2-CG 3.73Å; L32-Q278 HydrophobicContact CD2-CB 4.3Å
33I93.6Very high92Very high74 Ų7450.1 Ų50.138%0.37928%0.279SS..THydrogen-bonded Turntrans-50.4139.2167.1-70.1-179.5000109.8Q35 V97 W99 V120 Y121 A122 M248I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 3.45Å; I33-V97 WeakPolarHBondContact CA-O 3.46Å; I33-W99 HydrophobicContact CD1-CB 4.12Å; I33-W99 HydrophobicContact CD1-CE3 4.37Å; I33-V120 HydrophobicContact CG1-CG1 3.69Å; I33-Y121 PolarHBondContact N-O 2.8Å; I33-A122 HydrophobicContact CD1-CB 3.48Å; I33-A122 VanDerWaalsContact CD1-CB 3.48Å; I33-A122 HydrophobicContact CG1-CB 4.24Å; I33-M248 HydrophobicContact CD1-CE 4.38Å
34G93.4Very high91.3Very high40 Ų4052.9 Ų52.941%0.41229%0.287SS..THydrogen-bonded Turntrans93.6-23.4179.900000113.5L32 S96 V97L32-G34 PolarHBondContact O-N 3.47Å; G34-S96 VanDerWaalsContact CA-OG 3.29Å; G34-S96 WeakPolarHBondContact CA-OG 3.43Å; G34-S96 PolarHBondContact O-OG 2.92Å; G34-V97 PolarHBondContact N-O 2.82Å
35Q94.2Very high90.2Very high85 Ų8555.3 Ų55.340%0.39732%0.315SS..  trans-70.9153.9-178.7-67.4-176.5-2900112.3L32 I33 V97L32-Q35 HydrophobicContact CB-CG 4.05Å; L32-Q35 VanDerWaalsContact O-CB 3.31Å; L32-Q35 WeakPolarHBondContact O-CB 3.45Å; L32-Q35 WeakPolarHBondContact O-CG 3.28Å; L32-Q35 PolarHBondContact O-N 3Å; L32-Q35 VanDerWaalsContact O-N 3.16Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 3.45Å; Q35-V97 WeakPolarHBondContact O-CG2 3.41Å; Q35-V97 PolarHBondContact O-N 2.83Å
36K95.5Very high88.9Confident123 Ų12357.4 Ų57.454%0.53533%0.325SS..  trans-83136.3172-177.5-179.3177.8-176.70109.5H93 I94K36-H93 VanDerWaalsContact CE-ND1 3.3Å; K36-H93 WeakPolarHBondContact CE-ND1 3.33Å; K36-I94 WeakPolarHBondContact CA-O 3.48Å; K36-I94 WeakPolarHBondContact CG-O 3.39Å
37V96.7Very high87.6Confident0 Ų057.2 Ų57.20%032%0.317CS..EExtended strand (participates in β ladder)trans-129.8147.4176.2172.50000109.8I24 V31 L39 H93 I94 V97 L118I24-V37 HydrophobicContact CG2-CG1 3.51Å; V31-V37 HydrophobicContact CB-CG2 4.1Å; V31-V37 HydrophobicContact CG1-CG2 3.76Å; V31-V37 HydrophobicContact CG2-CG2 3.99Å; V37-L39 HydrophobicContact CG1-CD2 4.35Å; V37-H93 CarbonylContact O-C 3.55Å; V37-H93 WeakPolarHBondContact O-CA 3.47Å; V37-I94 PolarHBondContact N-O 2.66Å; V37-I94 VanDerWaalsContact N-O 3.13Å; V37-I94 PolarHBondContact O-N 2.9Å; V37-V97 HydrophobicContact CB-CG2 3.85Å; V37-V97 HydrophobicContact CG2-CG2 3.53Å; V37-L118 HydrophobicContact CG1-CD1 4.11Å
38I97Very high86.5Confident30 Ų3059.8 Ų59.815%0.15432%0.318CS..EExtended strand (participates in β ladder)trans-119.7124.9175-43176.5000108.2I24 I25 E91 L92 H93I24-I38 WeakPolarHBondContact CA-O 3.45Å; I25-I38 HydrophobicContact CB-CB 4.15Å; I25-I38 PolarHBondContact N-O 3.34Å; I25-I38 PolarHBondContact O-N 2.87Å; I38-E91 HydrophobicContact CG2-CB 3.76Å; I38-E91 HydrophobicContact CG2-CG 4.22Å; I38-L92 CarbonylContact C-O 3.58Å; I38-L92 WeakPolarHBondContact CA-O 3.24Å; I38-H93 VanDerWaalsContact CD1-CE1 3.45Å; I38-H93 WeakPolarHBondContact CD1-CE1 3.35Å; I38-H93 WeakPolarHBondContact CD1-ND1 3.33Å; I38-H93 WeakPolarHBondContact CG1-ND1 3.37Å
39L96.8Very high85.7Confident1 Ų154.6 Ų54.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-97.1109.8169.2-58.3179.7000107.7L22 S23 I24 V37 F56 L92 I94 W105L22-L39 HydrophobicContact CD1-CB 4.14Å; S23-L39 WeakPolarHBondContact O-CA 3.27Å; I24-L39 HydrophobicContact CB-CD2 4.37Å; I24-L39 HydrophobicContact CD1-CD2 4.49Å; I24-L39 HydrophobicContact CG1-CD2 3.55Å; I24-L39 HydrophobicContact CG2-CD2 4.38Å; V37-L39 HydrophobicContact CG1-CD2 4.35Å; L39-F56 HydrophobicContact CB-CD1 4.42Å; L39-F56 HydrophobicContact CB-CE1 3.83Å; L39-F56 WeakPolarHBondContact O-CZ 3.39Å; L39-L92 HydrophobicContact CB-CB 4.29Å; L39-L92 HydrophobicContact CD1-CD2 4.34Å; L39-L92 PolarHBondContact N-O 2.93Å; L39-L92 PolarHBondContact O-N 2.85Å; L39-I94 HydrophobicContact CD1-CD1 4.33Å; L39-W105 HydrophobicContact CD1-CB 3.83Å; L39-W105 HydrophobicContact CD1-CD2 3.28Å; L39-W105 HydrophobicContact CD1-CE3 3.21Å; L39-W105 HydrophobicContact CD1-CG 3.55Å; L39-W105 HydrophobicContact CD1-CZ3 3.89Å
40R95.9Very high85Confident72 Ų7255.9 Ų55.927%0.27231%0.305SS..EExtended strand (participates in β ladder)trans-99.5114.7-179-177.6175.3-176.4177.37.2109.5L22 S23 I25 Q42 T89 Y90 E91L22-R40 WeakPolarHBondContact CA-O 3.24Å; S23-R40 PolarHBondContact N-O 3.48Å; S23-R40 PolarHBondContact O-N 2.85Å; S23-R40 PolarHBondContact OG-O 2.87Å; I25-R40 HydrophobicContact CD1-CB 4.16Å; R40-Q42 HydrophobicContact CG-CG 4.11Å; R40-Q42 VanDerWaalsContact NH2-NE2 3.12Å; R40-T89 HydrophobicContact CG-CG2 4.06Å; R40-Y90 CarbonylContact C-O 3.58Å; R40-Y90 WeakPolarHBondContact CA-O 3.46Å; R40-E91 HydrophobicContact CB-CG 4.33Å; R40-E91 HydrophobicContact CG-CG 4.07Å; R40-E91 IonicContact NE-OE1 3.71Å
41C93.8Very high84.1Confident0 Ų062.2 Ų62.20%033%0.328CS..EExtended strand (participates in β ladder)trans-102.3126170.7-170.10000110.1S21 L22 F56 Y90 C107S21-C41 CarbonylContact O-C 3.49Å; S21-C41 VanDerWaalsContact O-CA 3.25Å; S21-C41 WeakPolarHBondContact O-CA 3.24Å; L22-C41 HydrophobicContact CD1-CB 4.29Å; C41-F56 HydrophobicContact CB-CE1 4.15Å; C41-F56 HydrophobicContact CB-CE2 4.45Å; C41-F56 HydrophobicContact CB-CZ 3.68Å; C41-Y90 PolarHBondContact N-O 3Å; C41-Y90 PolarHBondContact O-N 3.36Å; C41-C107 HydrophobicContact CB-CB 3.75Å; C41-C107 WeakPolarHBondContact CB-SG 3.33Å; C41-C107 WeakPolarHBondContact SG-CB 3.34Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.32Å
42Q92.1Very high83.6Confident50 Ų5067.8 Ų67.823%0.23435%0.35CS..EExtended strand (participates in β ladder)trans-118133.6177.1-61.5-171.4-68.100110F20 S21 R40 E88 T89F20-Q42 CarbonylContact C-O 3.52Å; F20-Q42 WeakPolarHBondContact CA-O 3.22Å; F20-Q42 VanDerWaalsContact CB-O 3.29Å; F20-Q42 WeakPolarHBondContact CB-O 3.43Å; S21-Q42 PolarHBondContact N-O 3.36Å; S21-Q42 PolarHBondContact O-N 2.92Å; R40-Q42 HydrophobicContact CG-CG 4.11Å; R40-Q42 VanDerWaalsContact NH2-NE2 3.12Å; Q42-E88 WeakPolarHBondContact CA-O 3.29Å; Q42-T89 HydrophobicContact CG-CG2 4.42Å
43I86.8Confident83Confident9 Ų965.6 Ų65.65%0.04634%0.34CS..EExtended strand (participates in β ladder)trans-105.6120.5171.9-62.8171.1000107.8F20 R47 V54 E88 Y90 Y109F20-I43 HydrophobicContact CB-CG1 4.08Å; I43-R47 VanDerWaalsContact CD1-NH2 3.26Å; I43-V54 HydrophobicContact CD1-CG2 3.25Å; I43-V54 HydrophobicContact CG1-CG2 4.36Å; I43-E88 PolarHBondContact N-O 3.18Å; I43-Y90 HydrophobicContact CD1-CE2 4.11Å; I43-Y109 HydrophobicContact CD1-CD1 4.46Å; I43-Y109 HydrophobicContact CD1-CD2 3.78Å; I43-Y109 HydrophobicContact CD1-CE2 4.21Å; I43-Y109 HydrophobicContact CD1-CG 3.91Å
44Q80.7Confident82.8Confident105 Ų10562.2 Ų62.249%0.49132%0.323SS..EExtended strand (participates in β ladder)trans-113.6140.3176.7-60.9178.4-5.200109.8T18 K19T18-Q44 CarbonylContact C-O 3.52Å; T18-Q44 WeakPolarHBondContact CA-O 3.3Å; K19-Q44 HydrophobicContact CB-CB 4.34Å; K19-Q44 PolarHBondContact N-O 3.19Å; K19-Q44 CarbonylContact O-C 3.58Å; K19-Q44 WeakPolarHBondContact O-CA 3.31Å; K19-Q44 WeakPolarHBondContact O-CB 3.47Å; K19-Q44 PolarHBondContact O-N 3.41Å
45G70.9Confident82.8Confident64 Ų6462.3 Ų62.366%0.6631%0.314SS*.SBendtrans96.4-177.2177.700000114.2R47G45-R47 PolarHBondContact O-N 2.83Å
46I63.2Low82.9Confident107 Ų10758.2 Ų58.255%0.54930%0.295SS..  trans-73.2117.8-170.3-63.2165.5000110.4D16 T18 L48D16-I46 WeakPolarHBondContact OD2-CD1 3.25Å; T18-I46 WeakPolarHBondContact CG2-O 3.21Å; I46-L48 PolarHBondContact O-N 2.91Å
47R63.9Low82.9Confident54 Ų5455.4 Ų55.420%0.20428%0.281CS..  trans-68.3116.8175.3-80.2-170.8160.4-164.7-7.8110.7I43 G45 S49 W84 Q85 A87 Y90I43-R47 VanDerWaalsContact CD1-NH2 3.26Å; G45-R47 PolarHBondContact O-N 2.83Å; R47-S49 VanDerWaalsContact C-N 3.25Å; R47-S49 PolarHBondContact O-N 3.35Å; R47-W84 PolarHBondContact NH1-O 3.32Å; R47-Q85 VanDerWaalsContact NH1-C 3.26Å; R47-Q85 PolarHBondContact NH1-O 3.39Å; R47-A87 PolarHBondContact NH2-O 2.85Å; R47-Y90 PolarHBondContact NH2-OH 3.04Å
48L61.6Low82.9Confident140 Ų14056.3 Ų56.373%0.73329%0.285SS*.SBendtrans-64.9-21.8178.8-70.3160000114.2I46I46-L48 PolarHBondContact O-N 2.91Å
49S63.7Low82.5Confident32 Ų3261 Ų6122%0.22430%0.304CS..  trans-168.7135.8-177.9172.90000112.4R47 K51 Y109R47-S49 VanDerWaalsContact C-N 3.25Å; R47-S49 PolarHBondContact O-N 3.35Å; S49-K51 PolarHBondContact O-N 2.75Å; S49-K51 WeakPolarHBondContact OG-CB 3.18Å; S49-K51 WeakPolarHBondContact OG-CG 3.43Å; S49-K51 PolarHBondContact OG-N 2.88Å; S49-K51 VanDerWaalsContact OG-N 3.1Å; S49-Y109 PolarHBondContact O-OH 2.96Å
50T67.2Low82.1Confident91 Ų9168.9 Ų68.956%0.55834%0.341SS*.THydrogen-bonded Turntrans-74-0.7171.752.50000113.6
51K73.1Confident82.1Confident174 Ų17469.3 Ų69.376%0.75735%0.352SS*.THydrogen-bonded Turntrans-82.6-16.7-179.3-59.5-177.1179.2-179.50113.7S49S49-K51 PolarHBondContact O-N 2.75Å; S49-K51 WeakPolarHBondContact OG-CB 3.18Å; S49-K51 WeakPolarHBondContact OG-CG 3.43Å; S49-K51 PolarHBondContact OG-N 2.88Å; S49-K51 VanDerWaalsContact OG-N 3.1Å
52Y81Confident82.2Confident118 Ų11872.2 Ų72.246%0.46337%0.369SS..PPolyproline II helixtrans-99.6132.1-176.8-56.9-65.8000110.8Y109 A110Y52-Y109 WeakPolarHBondContact O-CE2 3.05Å; Y52-A110 HydrophobicContact CD1-CB 4.02Å; Y52-A110 HydrophobicContact CD2-CB 3.7Å; Y52-A110 HydrophobicContact CE1-CB 4.39Å; Y52-A110 HydrophobicContact CE2-CB 4.1Å; Y52-A110 HydrophobicContact CG-CB 3.66Å
53A82.5Confident82.4Confident9 Ų970.5 Ų70.57%0.07436%0.361CS..PPolyproline II helixtrans-100.2156.7173.300000110.8L55 E65 K66 W84A53-L55 WeakPolarHBondContact O-CD1 3.4Å; A53-E65 HydrophobicContact CB-CG 4.25Å; A53-K66 HydrophobicContact CB-CB 4.4Å; A53-K66 HydrophobicContact CB-CG 3.42Å; A53-K66 VanDerWaalsContact CB-CG 3.42Å; A53-W84 HydrophobicContact CB-CE3 3.94Å; A53-W84 HydrophobicContact CB-CZ3 4.21Å
54V89.3Confident82.8Confident2 Ų270.1 Ų70.11%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-77.6135.8167.1174.80000110I43 Y90 C107 I108 Y109I43-V54 HydrophobicContact CD1-CG2 3.25Å; I43-V54 HydrophobicContact CG1-CG2 4.36Å; V54-Y90 HydrophobicContact CB-CD1 3.98Å; V54-Y90 HydrophobicContact CB-CD2 4.09Å; V54-Y90 HydrophobicContact CB-CE1 3.72Å; V54-Y90 HydrophobicContact CB-CE2 3.84Å; V54-Y90 HydrophobicContact CB-CG 4.17Å; V54-Y90 HydrophobicContact CG1-CD1 4.21Å; V54-Y90 HydrophobicContact CG1-CD2 4.18Å; V54-Y90 HydrophobicContact CG1-CE1 4.45Å; V54-Y90 HydrophobicContact CG1-CE2 4.42Å; V54-Y90 HydrophobicContact CG1-CG 4.08Å; V54-Y90 HydrophobicContact CG2-CD2 3.85Å; V54-Y90 HydrophobicContact CG2-CE1 4.09Å; V54-Y90 HydrophobicContact CG2-CE2 3.33Å; V54-Y90 HydrophobicContact CG2-CG 4.43Å; V54-Y90 VanDerWaalsContact CG2-CZ 3.46Å; V54-C107 WeakPolarHBondContact CG1-SG 3.2Å; V54-I108 WeakPolarHBondContact CA-O 3.4Å; V54-Y109 HydrophobicContact CG2-CD2 3.93Å
55L92.7Very high83.4Confident42 Ų4267.7 Ų67.722%0.2235%0.348CS..EExtended strand (participates in β ladder)trans-120136.1173.6-49.896.4000110.1A53 V62 S64 E65 C107 I108A53-L55 WeakPolarHBondContact O-CD1 3.4Å; L55-V62 HydrophobicContact CB-CG1 4.46Å; L55-V62 HydrophobicContact CD2-CG1 4.04Å; L55-S64 VanDerWaalsContact CA-O 3.31Å; L55-S64 WeakPolarHBondContact CA-O 3.42Å; L55-E65 HydrophobicContact CD2-CB 4.24Å; L55-E65 HydrophobicContact CD2-CG 4.15Å; L55-E65 HydrophobicContact CG-CB 4.45Å; L55-E65 HydrophobicContact CG-CG 4.33Å; L55-C107 WeakPolarHBondContact O-CA 3.33Å; L55-I108 HydrophobicContact CB-CB 4.37Å; L55-I108 HydrophobicContact CD1-CB 4.3Å; L55-I108 HydrophobicContact CD1-CG2 4.42Å; L55-I108 PolarHBondContact N-O 2.9Å; L55-I108 PolarHBondContact O-N 3.49Å
56F96.2Very high84.4Confident0 Ų069 Ų690%034%0.336CS..EExtended strand (participates in β ladder)trans-95.4132.4161.8-74.8-92.5000108.9L22 L39 C41 I63 S64 L77 L92 S106L22-F56 HydrophobicContact CD1-CE1 3.85Å; L39-F56 HydrophobicContact CB-CD1 4.42Å; L39-F56 HydrophobicContact CB-CE1 3.83Å; L39-F56 WeakPolarHBondContact O-CZ 3.39Å; C41-F56 HydrophobicContact CB-CE1 4.15Å; C41-F56 HydrophobicContact CB-CE2 4.45Å; C41-F56 HydrophobicContact CB-CZ 3.68Å; F56-I63 HydrophobicContact CB-CB 4.44Å; F56-I63 PolarHBondContact O-N 2.92Å; F56-S64 WeakPolarHBondContact CB-OG 3.17Å; F56-S64 VanDerWaalsContact CD2-OG 3.31Å; F56-S64 WeakPolarHBondContact CD2-OG 3.22Å; F56-S64 PolarHBondContact N-O 3.16Å; F56-S64 PolarHBondContact O-N 2.96Å; F56-L77 HydrophobicContact CD2-CD1 4.4Å; F56-L77 HydrophobicContact CE2-CD1 3.94Å; F56-L92 HydrophobicContact CB-CD2 3.81Å; F56-L92 HydrophobicContact CD1-CB 4.16Å; F56-L92 HydrophobicContact CD1-CD2 3.93Å; F56-L92 HydrophobicContact CD2-CB 4.08Å; F56-L92 HydrophobicContact CD2-CD2 4.36Å; F56-L92 HydrophobicContact CE1-CB 4.02Å; F56-L92 HydrophobicContact CE2-CB 3.93Å; F56-L92 HydrophobicContact CG-CB 4.18Å; F56-L92 HydrophobicContact CG-CD2 3.79Å; F56-L92 HydrophobicContact CZ-CB 3.89Å; F56-S106 WeakPolarHBondContact CA-O 3.45Å
57R95.9Very high85.7Confident64 Ų6465.3 Ų65.324%0.24232%0.319CS..EExtended strand (participates in β ladder)trans-130.7137.1177.3174.6177.755.3-173.5-14.6109.5K59 T61 S106 I108R57-K59 VanDerWaalsContact CD-O 3.29Å; R57-K59 WeakPolarHBondContact CD-O 3.33Å; R57-K59 WeakPolarHBondContact CG-O 3.48Å; R57-T61 WeakPolarHBondContact CA-O 3.45Å; R57-T61 WeakPolarHBondContact CG-O 3.24Å; R57-S106 PolarHBondContact N-O 2.82Å; R57-S106 PolarHBondContact O-N 2.75Å; R57-I108 HydrophobicContact CB-CD1 3.96Å
58H95.8Very high87.2Confident18 Ų1868.8 Ų68.88%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-120121.6170.1177.5-113000108.2E60 T61 I63 A100 D101 R102 D104 W105H58-E60 PolarHBondContact O-N 3.5Å; H58-T61 PolarHBondContact N-O 2.75Å; H58-T61 PolarHBondContact O-N 3.26Å; H58-I63 HydrophobicContact CB-CD1 4.32Å; H58-I63 HydrophobicContact CB-CG1 4.1Å; H58-A100 PolarHBondContact CE1-O 2.94Å; H58-D101 PolarHBondContact NE2-O 2.86Å; H58-R102 PolarHBondContact NE2-O 3.33Å; H58-D104 PolarHBondContact CD2-O 2.84Å; H58-W105 HydrophobicContact CB-CD2 3.89Å; H58-W105 HydrophobicContact CB-CE3 3.84Å; H58-W105 HydrophobicContact CB-CH2 3.88Å; H58-W105 HydrophobicContact CB-CZ2 3.92Å; H58-W105 HydrophobicContact CB-CZ3 3.86Å; H58-W105 AromaticContact CD2-CD1 3.61Å; H58-W105 AromaticContact CD2-CD2 3.78Å; H58-W105 AromaticContact CD2-CE2 3.37Å; H58-W105 AromaticContact CD2-CG 3.93Å; H58-W105 AromaticContact CD2-CZ2 3.87Å; H58-W105 AromaticContact CD2-NE1 3.23Å; H58-W105 PolarHBondContact CD2-NE1 3.44Å; H58-W105 AromaticContact CG-CE2 3.71Å; H58-W105 AromaticContact CG-CZ2 3.78Å; H58-W105 AromaticContact NE2-NE1 3.67Å
59K89.8Confident88.9Confident130 Ų13062.8 Ų62.857%0.56531%0.305SS*.THydrogen-bonded Turntrans51.8-121.3-168.7-57.4173179.3172.50110.3R57 D104R57-K59 VanDerWaalsContact CD-O 3.29Å; R57-K59 WeakPolarHBondContact CD-O 3.33Å; R57-K59 WeakPolarHBondContact CG-O 3.48Å; K59-D104 PolarHBondContact N-O 2.9Å
60E88.9Confident90.4Very high166 Ų16667.1 Ų67.178%0.77632%0.317SS*.THydrogen-bonded Turntrans-95.50.8177.6-60-52.8140.800113.9H58H58-E60 PolarHBondContact O-N 3.5Å
61T94.4Very high91.7Very high81 Ų8166.8 Ų66.850%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-99.8124.1-175.9-54.70000111.2R57 H58 I63R57-T61 WeakPolarHBondContact CA-O 3.45Å; R57-T61 WeakPolarHBondContact CG-O 3.24Å; H58-T61 PolarHBondContact N-O 2.75Å; H58-T61 PolarHBondContact O-N 3.26Å; T61-I63 HydrophobicContact CG2-CD1 4.07Å
62V95.7Very high92.7Very high61 Ų6161.4 Ų61.437%0.3730%0.297SS..EExtended strand (participates in β ladder)trans-75.6125170.4-171.30000108.6L55 Y70L55-V62 HydrophobicContact CB-CG1 4.46Å; L55-V62 HydrophobicContact CD2-CG1 4.04Å; V62-Y70 HydrophobicContact CB-CE2 4.27Å; V62-Y70 HydrophobicContact CG1-CE2 3.85Å; V62-Y70 WeakPolarHBondContact O-CD2 3.24Å
63I96.9Very high93.4Very high13 Ų1362.5 Ų62.57%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-96.7-36.8-174.8-57.1-58.3000111.2F56 H58 T61 Y70 F75 L92 W105F56-I63 HydrophobicContact CB-CB 4.44Å; F56-I63 PolarHBondContact O-N 2.92Å; H58-I63 HydrophobicContact CB-CD1 4.32Å; H58-I63 HydrophobicContact CB-CG1 4.1Å; T61-I63 HydrophobicContact CG2-CD1 4.07Å; I63-Y70 WeakPolarHBondContact O-CD2 3.42Å; I63-Y70 PolarHBondContact O-N 2.65Å; I63-Y70 VanDerWaalsContact O-N 3.1Å; I63-F75 HydrophobicContact CD1-CE2 4.36Å; I63-F75 HydrophobicContact CD1-CZ 4.48Å; I63-F75 HydrophobicContact CG2-CD1 4.27Å; I63-F75 HydrophobicContact CG2-CD2 3.66Å; I63-F75 HydrophobicContact CG2-CE1 4.34Å; I63-F75 HydrophobicContact CG2-CE2 3.74Å; I63-F75 HydrophobicContact CG2-CG 3.95Å; I63-F75 HydrophobicContact CG2-CZ 4.07Å; I63-L92 HydrophobicContact CG2-CD1 4.42Å; I63-L92 HydrophobicContact CG2-CD2 4Å; I63-W105 HydrophobicContact CB-CZ3 4.4Å; I63-W105 HydrophobicContact CG1-CH2 4.2Å; I63-W105 HydrophobicContact CG1-CZ3 3.81Å; I63-W105 HydrophobicContact CG2-CZ3 4.35Å
64S96.1Very high94.1Very high1 Ų164.7 Ų64.71%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-152.9154.9-178.671.70000111.9L55 F56 F68L55-S64 VanDerWaalsContact CA-O 3.31Å; L55-S64 WeakPolarHBondContact CA-O 3.42Å; F56-S64 WeakPolarHBondContact CB-OG 3.17Å; F56-S64 VanDerWaalsContact CD2-OG 3.31Å; F56-S64 WeakPolarHBondContact CD2-OG 3.22Å; F56-S64 PolarHBondContact N-O 3.16Å; F56-S64 PolarHBondContact O-N 2.96Å; S64-F68 CarbonylContact C-O 3.59Å; S64-F68 WeakPolarHBondContact CA-O 3.28Å; S64-F68 WeakPolarHBondContact CB-O 3.49Å
65E93.5Very high94.5Very high55 Ų5564.8 Ų64.826%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-148.9148.4174177.8-175.2172.500108.2A53 L55 C67 F68 Y70A53-E65 HydrophobicContact CB-CG 4.25Å; L55-E65 HydrophobicContact CD2-CB 4.24Å; L55-E65 HydrophobicContact CD2-CG 4.15Å; L55-E65 HydrophobicContact CG-CB 4.45Å; L55-E65 HydrophobicContact CG-CG 4.33Å; E65-C67 VanDerWaalsContact C-N 3.31Å; E65-C67 PolarHBondContact O-N 2.79Å; E65-C67 VanDerWaalsContact O-N 3.16Å; E65-F68 PolarHBondContact N-O 3.48Å; E65-F68 WeakPolarHBondContact O-CA 3.48Å; E65-F68 WeakPolarHBondContact O-CB 3.22Å; E65-F68 PolarHBondContact O-N 2.95Å; E65-F68 VanDerWaalsContact O-O 3.09Å; E65-Y70 PolarHBondContact OE2-OH 2.95Å
66K90.2Very high94.7Very high91 Ų9167.4 Ų67.440%0.39633%0.326SS..THydrogen-bonded Turntrans50.545.1170.7-69.8164.4-177141.10114A53 F68 W84A53-K66 HydrophobicContact CB-CB 4.4Å; A53-K66 HydrophobicContact CB-CG 3.42Å; A53-K66 VanDerWaalsContact CB-CG 3.42Å; K66-F68 PolarHBondContact O-N 3.43Å; K66-F68 VanDerWaalsContact O-N 3.16Å; K66-W84 HydrophobicContact CB-CB 4.21Å; K66-W84 HydrophobicContact CB-CD2 4.08Å; K66-W84 HydrophobicContact CB-CG 3.85Å; K66-W84 HydrophobicContact CD-CZ2 4.43Å; K66-W84 HydrophobicContact CG-CD2 3.74Å; K66-W84 HydrophobicContact CG-CE3 3.95Å; K66-W84 HydrophobicContact CG-CG 4.07Å; K66-W84 HydrophobicContact CG-CZ2 4.44Å; K66-W84 HydrophobicContact CG-CZ3 4.4Å
67C91.7Very high94.7Very high30 Ų3068.3 Ų68.320%0.20333%0.33CS..THydrogen-bonded Turntrans61.919-178-58.70000114.9E65 C79 W84E65-C67 VanDerWaalsContact C-N 3.31Å; E65-C67 PolarHBondContact O-N 2.79Å; E65-C67 VanDerWaalsContact O-N 3.16Å; C67-C79 WeakPolarHBondContact CA-SG 3.28Å; C67-C79 HydrophobicContact CB-CB 3.92Å; C67-C79 WeakPolarHBondContact CB-SG 3.49Å; C67-C79 WeakPolarHBondContact SG-CB 3.16Å; C67-C79 CovalentContact SG-SG 2.01Å; C67-C79 PolarHBondContact SG-SG 3.18Å; C67-W84 HydrophobicContact CB-CB 4.21Å; C67-W84 VanDerWaalsContact SG-CA 3.55Å; C67-W84 WeakPolarHBondContact SG-CB 3.33Å
68F94.6Very high94.7Very high127 Ų12768.9 Ų68.956%0.55734%0.338SS*.EExtended strand (participates in β ladder)trans-123.2139.2178.7178.6-96.4000111.2S64 E65 K66 Y70S64-F68 CarbonylContact C-O 3.59Å; S64-F68 WeakPolarHBondContact CA-O 3.28Å; S64-F68 WeakPolarHBondContact CB-O 3.49Å; E65-F68 PolarHBondContact N-O 3.48Å; E65-F68 WeakPolarHBondContact O-CA 3.48Å; E65-F68 WeakPolarHBondContact O-CB 3.22Å; E65-F68 PolarHBondContact O-N 2.95Å; E65-F68 VanDerWaalsContact O-O 3.09Å; K66-F68 PolarHBondContact O-N 3.43Å; K66-F68 VanDerWaalsContact O-N 3.16Å; F68-Y70 HydrophobicContact CD1-CD1 4.28Å; F68-Y70 HydrophobicContact CD1-CE1 4.37Å; F68-Y70 AromaticContact CE1-CD1 3.99Å; F68-Y70 HydrophobicContact CE1-CD1 3.99Å; F68-Y70 HydrophobicContact CE1-CE1 4.39Å
69V96.7Very high94.6Very high14 Ų1468.4 Ų68.49%0.08534%0.336CS..EExtended strand (participates in β ladder)trans-105.9135.2177.9-70.90000110.8Q71 A72 F75 L77 L92V69-Q71 VanDerWaalsContact C-N 3.33Å; V69-Q71 PolarHBondContact O-N 2.99Å; V69-A72 HydrophobicContact CG2-CB 4.2Å; V69-F75 HydrophobicContact CB-CB 4.26Å; V69-F75 HydrophobicContact CG1-CB 4.01Å; V69-L77 HydrophobicContact CG1-CB 3.53Å; V69-L77 HydrophobicContact CG1-CD2 4.41Å; V69-L92 HydrophobicContact CG1-CD1 3.75Å
70Y96.1Very high94.7Very high122 Ų12268.3 Ų68.348%0.47834%0.338SS..SBendtrans-73.6-24.3179.4-61.7-60.2000113.3V62 I63 E65 F68V62-Y70 HydrophobicContact CB-CE2 4.27Å; V62-Y70 HydrophobicContact CG1-CE2 3.85Å; V62-Y70 WeakPolarHBondContact O-CD2 3.24Å; I63-Y70 WeakPolarHBondContact O-CD2 3.42Å; I63-Y70 PolarHBondContact O-N 2.65Å; I63-Y70 VanDerWaalsContact O-N 3.1Å; E65-Y70 PolarHBondContact OE2-OH 2.95Å; F68-Y70 HydrophobicContact CD1-CD1 4.28Å; F68-Y70 HydrophobicContact CD1-CE1 4.37Å; F68-Y70 AromaticContact CE1-CD1 3.99Å; F68-Y70 HydrophobicContact CE1-CD1 3.99Å; F68-Y70 HydrophobicContact CE1-CE1 4.39Å
71Q95.2Very high94.8Very high85 Ų8563.4 Ų63.440%0.39732%0.32SS..  trans-123.575.2179.4-64.7179.48.900111.1V69 Q73 K74 F75V69-Q71 VanDerWaalsContact C-N 3.33Å; V69-Q71 PolarHBondContact O-N 2.99Å; Q71-Q73 PolarHBondContact O-N 3.05Å; Q71-Q73 VanDerWaalsContact O-N 3.14Å; Q71-K74 PolarHBondContact O-N 2.68Å; Q71-F75 HydrophobicContact CB-CD2 3.99Å; Q71-F75 HydrophobicContact CB-CE2 4.3Å; Q71-F75 PolarHBondContact O-N 3.06Å
72A94.3Very high94.5Very high60 Ų6066.4 Ų66.450%0.49633%0.333SS..THydrogen-bonded Turntrans-62-19.9-17700000114.2V69 F75 K95V69-A72 HydrophobicContact CG2-CB 4.2Å; A72-F75 CarbonylContact C-O 3.22Å; A72-F75 VanDerWaalsContact O-O 3.1Å; A72-K95 WeakPolarHBondContact O-CE 3.46Å; A72-K95 PolarHBondContact O-NZ 3.03Å
73Q95.5Very high94.2Very high142 Ų14266.4 Ų66.466%0.66433%0.331SS*.THydrogen-bonded Turntrans-66.3-37.5173.266.3-79.71300112Q71 K95Q71-Q73 PolarHBondContact O-N 3.05Å; Q71-Q73 VanDerWaalsContact O-N 3.14Å; Q73-K95 WeakPolarHBondContact O-CD 3.31Å; Q73-K95 PolarHBondContact O-NZ 2.9Å
74K96Very high93.7Very high54 Ų5468.7 Ų68.724%0.23534%0.339CS..THydrogen-bonded Turntrans-99.4-35.3-174.7-176.6171.5176.2178.60112.9Q71 K95 S98 D101Q71-K74 PolarHBondContact O-N 2.68Å; K74-K95 WeakPolarHBondContact O-CB 3.25Å; K74-K95 WeakPolarHBondContact O-CG 3.26Å; K74-K95 PolarHBondContact O-N 3.18Å; K74-S98 PolarHBondContact NZ-OG 3.16Å; K74-D101 WeakPolarHBondContact CE-OD1 3.43Å; K74-D101 VanDerWaalsContact CE-OD2 3.29Å; K74-D101 WeakPolarHBondContact CE-OD2 3.35Å; K74-D101 IonicContact NZ-OD1 3.72Å; K74-D101 PolarHBondContact NZ-OD1 3.19Å; K74-D101 IonicContact NZ-OD2 3.96Å; K74-D101 PolarHBondContact NZ-OD2 2.71Å
75F97.7Very high93.2Very high5 Ų572.8 Ų72.82%0.02236%0.358CS..EExtended strand (participates in β ladder)trans-117.6158-174.9-53.8-71.3000112.1I63 V69 Q71 A72 L92 H93 I94 W105I63-F75 HydrophobicContact CD1-CE2 4.36Å; I63-F75 HydrophobicContact CD1-CZ 4.48Å; I63-F75 HydrophobicContact CG2-CD1 4.27Å; I63-F75 HydrophobicContact CG2-CD2 3.66Å; I63-F75 HydrophobicContact CG2-CE1 4.34Å; I63-F75 HydrophobicContact CG2-CE2 3.74Å; I63-F75 HydrophobicContact CG2-CG 3.95Å; I63-F75 HydrophobicContact CG2-CZ 4.07Å; V69-F75 HydrophobicContact CB-CB 4.26Å; V69-F75 HydrophobicContact CG1-CB 4.01Å; Q71-F75 HydrophobicContact CB-CD2 3.99Å; Q71-F75 HydrophobicContact CB-CE2 4.3Å; Q71-F75 PolarHBondContact O-N 3.06Å; A72-F75 CarbonylContact C-O 3.22Å; A72-F75 VanDerWaalsContact O-O 3.1Å; F75-L92 HydrophobicContact CB-CD1 3.97Å; F75-L92 HydrophobicContact CD1-CD1 4.48Å; F75-L92 HydrophobicContact CG-CD1 4.43Å; F75-H93 CarbonylContact C-O 3.57Å; F75-H93 VanDerWaalsContact CA-O 3.31Å; F75-H93 WeakPolarHBondContact CA-O 3.47Å; F75-I94 HydrophobicContact CD1-CB 4.4Å; F75-I94 HydrophobicContact CD1-CG1 4.06Å; F75-I94 HydrophobicContact CD1-CG2 4.41Å; F75-I94 HydrophobicContact CE1-CB 4.38Å; F75-I94 HydrophobicContact CE1-CG1 3.94Å; F75-I94 HydrophobicContact CE1-CG2 4.05Å; F75-W105 AromaticContact CE1-CH2 3.78Å; F75-W105 HydrophobicContact CE1-CH2 3.78Å; F75-W105 HydrophobicContact CZ-CH2 4.03Å
76H97.1Very high92.9Very high96 Ų9674.6 Ų74.644%0.44437%0.369SS..EExtended strand (participates in β ladder)trans-141.8133.7169.2176.7-107.1000108I78 H93H76-I78 VanDerWaalsContact CE1-CG1 3.4Å; H76-I78 WeakPolarHBondContact CE1-CG1 3.5Å; H76-H93 HydrophobicContact CB-CB 4.27Å; H76-H93 PolarHBondContact N-O 2.97Å; H76-H93 AromaticContact ND1-CD2 3.88Å; H76-H93 WeakPolarHBondContact O-CB 3.31Å; H76-H93 PolarHBondContact O-N 3.2Å
77L97Very high92.8Very high19 Ų1970.3 Ų70.310%0.09935%0.35CS..EExtended strand (participates in β ladder)trans-118.7128.8-177.3178.259.8000109.5F56 V69 E91 L92F56-L77 HydrophobicContact CD2-CD1 4.4Å; F56-L77 HydrophobicContact CE2-CD1 3.94Å; V69-L77 HydrophobicContact CG1-CB 3.53Å; V69-L77 HydrophobicContact CG1-CD2 4.41Å; L77-E91 WeakPolarHBondContact CA-O 3.25Å; L77-E91 WeakPolarHBondContact CD1-O 3.18Å; L77-L92 HydrophobicContact CB-CD1 4.31Å; L77-L92 HydrophobicContact CD1-CB 4.2Å; L77-L92 HydrophobicContact CD1-CD1 4.48Å
78I95.9Very high92.7Very high77 Ų7774.9 Ų74.940%0.39537%0.368SS..EExtended strand (participates in β ladder)trans-112.1134.5173.6-56.7-179.2000107.9H76 Y90 E91 H93H76-I78 VanDerWaalsContact CE1-CG1 3.4Å; H76-I78 WeakPolarHBondContact CE1-CG1 3.5Å; I78-Y90 WeakPolarHBondContact O-CA 3.35Å; I78-E91 HydrophobicContact CB-CB 4.39Å; I78-E91 PolarHBondContact N-O 3.37Å; I78-E91 PolarHBondContact O-N 3.2Å; I78-H93 VanDerWaalsContact CD1-NE2 3.32Å; I78-H93 WeakPolarHBondContact CD1-NE2 3.17Å
79C93.5Very high92.6Very high8 Ų869.6 Ų69.65%0.05435%0.346CS..EExtended strand (participates in β ladder)trans-118.7138.9174.9-72.10000110.2C67 P81 N82 A87 T89 Y90C67-C79 WeakPolarHBondContact CA-SG 3.28Å; C67-C79 HydrophobicContact CB-CB 3.92Å; C67-C79 WeakPolarHBondContact CB-SG 3.49Å; C67-C79 WeakPolarHBondContact SG-CB 3.16Å; C67-C79 CovalentContact SG-SG 2.01Å; C67-C79 PolarHBondContact SG-SG 3.18Å; C79-P81 CarbonylContact C-O 3.56Å; C79-P81 CarbonylContact O-C 3.58Å; C79-P81 VanDerWaalsContact O-C 3.26Å; C79-N82 WeakPolarHBondContact O-CA 3Å; C79-N82 PolarHBondContact O-N 3.29Å; C79-A87 HydrophobicContact CB-CB 3.91Å; C79-T89 WeakPolarHBondContact CA-O 2.97Å; C79-Y90 WeakPolarHBondContact SG-CD1 3.03Å; C79-Y90 VanDerWaalsContact SG-CE1 3.51Å
80E92.3Very high92.4Very high127 Ų12769 Ų6959%0.59334%0.343SS*.EExtended strand (participates in β ladder)trans-128.3116.2176.3-171.2175.2-168.600110.6A87 E88 T89E80-A87 CarbonylContact O-C 3.58Å; E80-A87 WeakPolarHBondContact O-CA 3.45Å; E80-E88 PolarHBondContact O-N 3.06Å; E80-T89 PolarHBondContact N-O 3.17Å; E80-T89 PolarHBondContact O-N 3.17Å; E80-T89 VanDerWaalsContact O-N 3.13Å
81P90.1Very high92.5Very high63 Ų6365.2 Ų65.241%0.40933%0.33SS..SBendcis-59.3164.7-11.3-24.735.6000113.8C79 D83 I86 A87C79-P81 CarbonylContact C-O 3.56Å; C79-P81 CarbonylContact O-C 3.58Å; C79-P81 VanDerWaalsContact O-C 3.26Å; P81-D83 PolarHBondContact O-N 2.94Å; P81-I86 HydrophobicContact CB-CD1 3.95Å; P81-I86 HydrophobicContact CB-CG1 4.18Å; P81-I86 HydrophobicContact CG-CD1 4.05Å; P81-I86 HydrophobicContact CG-CG1 4.28Å; P81-A87 WeakPolarHBondContact O-CB 3.18Å
82N89.5Confident92.6Very high145 Ų14561.2 Ų61.278%0.77531%0.311SS*.SBendtrans-75.850.1178.9-170.529.6000112.9C79C79-N82 WeakPolarHBondContact O-CA 3Å; C79-N82 PolarHBondContact O-N 3.29Å
83D87.8Confident92.7Very high60 Ų6059 Ų5932%0.32129%0.29SS..SBendtrans-148.3117.7172.1173.5-0000107.3P81 Q85 I86 A87P81-D83 PolarHBondContact O-N 2.94Å; D83-Q85 PolarHBondContact O-N 3.48Å; D83-Q85 VanDerWaalsContact O-N 3.08Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.33Å; D83-Q85 PolarHBondContact OD1-N 3.03Å; D83-I86 HydrophobicContact CB-CD1 4.2Å; D83-I86 HydrophobicContact CB-CG1 3.77Å; D83-I86 PolarHBondContact O-N 3.49Å; D83-I86 VanDerWaalsContact O-N 3.09Å; D83-A87 WeakPolarHBondContact O-CA 3.5Å; D83-A87 VanDerWaalsContact O-CB 3.24Å; D83-A87 WeakPolarHBondContact O-CB 3.38Å; D83-A87 PolarHBondContact O-N 2.97Å
84W86.9Confident92.8Very high62 Ų6252.2 Ų52.224%0.23526%0.258CS..THydrogen-bonded Turntrans-59.7-24.3-175.967.6-91.7000113.7R47 A53 K66 C67 I86 Y90R47-W84 PolarHBondContact NH1-O 3.32Å; A53-W84 HydrophobicContact CB-CE3 3.94Å; A53-W84 HydrophobicContact CB-CZ3 4.21Å; K66-W84 HydrophobicContact CB-CB 4.21Å; K66-W84 HydrophobicContact CB-CD2 4.08Å; K66-W84 HydrophobicContact CB-CG 3.85Å; K66-W84 HydrophobicContact CD-CZ2 4.43Å; K66-W84 HydrophobicContact CG-CD2 3.74Å; K66-W84 HydrophobicContact CG-CE3 3.95Å; K66-W84 HydrophobicContact CG-CG 4.07Å; K66-W84 HydrophobicContact CG-CZ2 4.44Å; K66-W84 HydrophobicContact CG-CZ3 4.4Å; C67-W84 HydrophobicContact CB-CB 4.21Å; C67-W84 VanDerWaalsContact SG-CA 3.55Å; C67-W84 WeakPolarHBondContact SG-CB 3.33Å; W84-I86 VanDerWaalsContact C-N 3.3Å; W84-I86 PolarHBondContact O-N 2.91Å; W84-Y90 PolarHBondContact O-OH 3.07Å; W84-Y90 VanDerWaalsContact O-OH 3.07Å
85Q85.9Confident92.8Very high87 Ų8754.5 Ų54.541%0.40727%0.268SS..THydrogen-bonded Turntrans-69.7-28.7179.7-62.4-175.1-6.600112.4R47 D83R47-Q85 VanDerWaalsContact NH1-C 3.26Å; R47-Q85 PolarHBondContact NH1-O 3.39Å; D83-Q85 PolarHBondContact O-N 3.48Å; D83-Q85 VanDerWaalsContact O-N 3.08Å; D83-Q85 WeakPolarHBondContact OD1-CB 3.33Å; D83-Q85 PolarHBondContact OD1-N 3.03Å
86I86.1Confident92.8Very high93 Ų9357.3 Ų57.348%0.47729%0.288SS..THydrogen-bonded Turntrans-121.5-9.2-176.961169.9000113.8P81 D83 W84 E88P81-I86 HydrophobicContact CB-CD1 3.95Å; P81-I86 HydrophobicContact CB-CG1 4.18Å; P81-I86 HydrophobicContact CG-CD1 4.05Å; P81-I86 HydrophobicContact CG-CG1 4.28Å; D83-I86 HydrophobicContact CB-CD1 4.2Å; D83-I86 HydrophobicContact CB-CG1 3.77Å; D83-I86 PolarHBondContact O-N 3.49Å; D83-I86 VanDerWaalsContact O-N 3.09Å; W84-I86 VanDerWaalsContact C-N 3.3Å; W84-I86 PolarHBondContact O-N 2.91Å; I86-E88 PolarHBondContact O-N 3.06Å
87A89Confident92.7Very high0 Ų052.8 Ų52.80%027%0.268CS..  trans-55.6125.4-179.700000112R47 C79 E80 P81 D83 Y90R47-A87 PolarHBondContact NH2-O 2.85Å; C79-A87 HydrophobicContact CB-CB 3.91Å; E80-A87 CarbonylContact O-C 3.58Å; E80-A87 WeakPolarHBondContact O-CA 3.45Å; P81-A87 WeakPolarHBondContact O-CB 3.18Å; D83-A87 WeakPolarHBondContact O-CA 3.5Å; D83-A87 VanDerWaalsContact O-CB 3.24Å; D83-A87 WeakPolarHBondContact O-CB 3.38Å; D83-A87 PolarHBondContact O-N 2.97Å; A87-Y90 HydrophobicContact CB-CE1 3.98Å; A87-Y90 HydrophobicContact CB-CE2 3.93Å; A87-Y90 VanDerWaalsContact O-CE2 3.23Å; A87-Y90 WeakPolarHBondContact O-CE2 3.38Å; A87-Y90 PolarHBondContact O-OH 3.11Å
88E89.1Confident92.6Very high126 Ų12653.6 Ų53.659%0.58928%0.275SS*.  trans-98.8-30.7178-63.1-175.4169.600111.5Q42 I43 E80 I86Q42-E88 WeakPolarHBondContact CA-O 3.29Å; I43-E88 PolarHBondContact N-O 3.18Å; E80-E88 PolarHBondContact O-N 3.06Å; I86-E88 PolarHBondContact O-N 3.06Å
89T92.2Very high92.5Very high16 Ų1650.4 Ų50.410%0.09826%0.258CS..EExtended strand (participates in β ladder)trans-116.8133178.4-62.90000110.4R40 Q42 C79 E80 E91R40-T89 HydrophobicContact CG-CG2 4.06Å; Q42-T89 HydrophobicContact CG-CG2 4.42Å; C79-T89 WeakPolarHBondContact CA-O 2.97Å; E80-T89 PolarHBondContact N-O 3.17Å; E80-T89 PolarHBondContact O-N 3.17Å; E80-T89 VanDerWaalsContact O-N 3.13Å; T89-E91 HydrophobicContact CG2-CG 4.14Å
90Y94.4Very high92.4Very high1 Ų151.6 Ų51.60%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-125.6122.1176.4-60.5-105.2000109.2R40 C41 I43 R47 V54 I78 C79 W84 A87R40-Y90 CarbonylContact C-O 3.58Å; R40-Y90 WeakPolarHBondContact CA-O 3.46Å; C41-Y90 PolarHBondContact N-O 3Å; C41-Y90 PolarHBondContact O-N 3.36Å; I43-Y90 HydrophobicContact CD1-CE2 4.11Å; R47-Y90 PolarHBondContact NH2-OH 3.04Å; V54-Y90 HydrophobicContact CB-CD1 3.98Å; V54-Y90 HydrophobicContact CB-CD2 4.09Å; V54-Y90 HydrophobicContact CB-CE1 3.72Å; V54-Y90 HydrophobicContact CB-CE2 3.84Å; V54-Y90 HydrophobicContact CB-CG 4.17Å; V54-Y90 HydrophobicContact CG1-CD1 4.21Å; V54-Y90 HydrophobicContact CG1-CD2 4.18Å; V54-Y90 HydrophobicContact CG1-CE1 4.45Å; V54-Y90 HydrophobicContact CG1-CE2 4.42Å; V54-Y90 HydrophobicContact CG1-CG 4.08Å; V54-Y90 HydrophobicContact CG2-CD2 3.85Å; V54-Y90 HydrophobicContact CG2-CE1 4.09Å; V54-Y90 HydrophobicContact CG2-CE2 3.33Å; V54-Y90 HydrophobicContact CG2-CG 4.43Å; V54-Y90 VanDerWaalsContact CG2-CZ 3.46Å; I78-Y90 WeakPolarHBondContact O-CA 3.35Å; C79-Y90 WeakPolarHBondContact SG-CD1 3.03Å; C79-Y90 VanDerWaalsContact SG-CE1 3.51Å; W84-Y90 PolarHBondContact O-OH 3.07Å; W84-Y90 VanDerWaalsContact O-OH 3.07Å; A87-Y90 HydrophobicContact CB-CE1 3.98Å; A87-Y90 HydrophobicContact CB-CE2 3.93Å; A87-Y90 VanDerWaalsContact O-CE2 3.23Å; A87-Y90 WeakPolarHBondContact O-CE2 3.38Å; A87-Y90 PolarHBondContact O-OH 3.11Å
91E96.3Very high92.5Very high44 Ų4445.8 Ų45.821%0.20624%0.241CC..EExtended strand (participates in β ladder)trans-115.8103.5179.4-66.5-162.7165.600110.7I38 R40 L77 I78 T89 H93I38-E91 HydrophobicContact CG2-CB 3.76Å; I38-E91 HydrophobicContact CG2-CG 4.22Å; R40-E91 HydrophobicContact CB-CG 4.33Å; R40-E91 HydrophobicContact CG-CG 4.07Å; R40-E91 IonicContact NE-OE1 3.71Å; L77-E91 WeakPolarHBondContact CA-O 3.25Å; L77-E91 WeakPolarHBondContact CD1-O 3.18Å; I78-E91 HydrophobicContact CB-CB 4.39Å; I78-E91 PolarHBondContact N-O 3.37Å; I78-E91 PolarHBondContact O-N 3.2Å; T89-E91 HydrophobicContact CG2-CG 4.14Å; E91-H93 PolarHBondContact O-CD2 2.89Å; E91-H93 IonicContact OE2-NE2 3.2Å
92L97.5Very high92.7Very high0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-88.3108173.7-178.270.6000109.5I38 L39 F56 I63 V69 F75 L77 W105I38-L92 CarbonylContact C-O 3.58Å; I38-L92 WeakPolarHBondContact CA-O 3.24Å; L39-L92 HydrophobicContact CB-CB 4.29Å; L39-L92 HydrophobicContact CD1-CD2 4.34Å; L39-L92 PolarHBondContact N-O 2.93Å; L39-L92 PolarHBondContact O-N 2.85Å; F56-L92 HydrophobicContact CB-CD2 3.81Å; F56-L92 HydrophobicContact CD1-CB 4.16Å; F56-L92 HydrophobicContact CD1-CD2 3.93Å; F56-L92 HydrophobicContact CD2-CB 4.08Å; F56-L92 HydrophobicContact CD2-CD2 4.36Å; F56-L92 HydrophobicContact CE1-CB 4.02Å; F56-L92 HydrophobicContact CE2-CB 3.93Å; F56-L92 HydrophobicContact CG-CB 4.18Å; F56-L92 HydrophobicContact CG-CD2 3.79Å; F56-L92 HydrophobicContact CZ-CB 3.89Å; I63-L92 HydrophobicContact CG2-CD1 4.42Å; I63-L92 HydrophobicContact CG2-CD2 4Å; V69-L92 HydrophobicContact CG1-CD1 3.75Å; F75-L92 HydrophobicContact CB-CD1 3.97Å; F75-L92 HydrophobicContact CD1-CD1 4.48Å; F75-L92 HydrophobicContact CG-CD1 4.43Å; L77-L92 HydrophobicContact CB-CD1 4.31Å; L77-L92 HydrophobicContact CD1-CB 4.2Å; L77-L92 HydrophobicContact CD1-CD1 4.48Å; L92-W105 HydrophobicContact CD2-CE3 4.28Å; L92-W105 HydrophobicContact CD2-CZ3 3.67Å
93H97.8Very high92.9Very high13 Ų1339.4 Ų39.46%0.0620%0.204CC..EExtended strand (participates in β ladder)trans-86.1118.1173.4-57.3-101.8000110.5K36 V37 I38 F75 H76 I78 E91K36-H93 VanDerWaalsContact CE-ND1 3.3Å; K36-H93 WeakPolarHBondContact CE-ND1 3.33Å; V37-H93 CarbonylContact O-C 3.55Å; V37-H93 WeakPolarHBondContact O-CA 3.47Å; I38-H93 VanDerWaalsContact CD1-CE1 3.45Å; I38-H93 WeakPolarHBondContact CD1-CE1 3.35Å; I38-H93 WeakPolarHBondContact CD1-ND1 3.33Å; I38-H93 WeakPolarHBondContact CG1-ND1 3.37Å; F75-H93 CarbonylContact C-O 3.57Å; F75-H93 VanDerWaalsContact CA-O 3.31Å; F75-H93 WeakPolarHBondContact CA-O 3.47Å; H76-H93 HydrophobicContact CB-CB 4.27Å; H76-H93 PolarHBondContact N-O 2.97Å; H76-H93 AromaticContact ND1-CD2 3.88Å; H76-H93 WeakPolarHBondContact O-CB 3.31Å; H76-H93 PolarHBondContact O-N 3.2Å; I78-H93 VanDerWaalsContact CD1-NE2 3.32Å; I78-H93 WeakPolarHBondContact CD1-NE2 3.17Å; E91-H93 PolarHBondContact O-CD2 2.89Å; E91-H93 IonicContact OE2-NE2 3.2Å
94I97.4Very high93.2Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-84.8110.5164.1-48.5-179.3000106.5K36 V37 L39 F75 S96 V97 W105 L118K36-I94 WeakPolarHBondContact CA-O 3.48Å; K36-I94 WeakPolarHBondContact CG-O 3.39Å; V37-I94 PolarHBondContact N-O 2.66Å; V37-I94 VanDerWaalsContact N-O 3.13Å; V37-I94 PolarHBondContact O-N 2.9Å; L39-I94 HydrophobicContact CD1-CD1 4.33Å; F75-I94 HydrophobicContact CD1-CB 4.4Å; F75-I94 HydrophobicContact CD1-CG1 4.06Å; F75-I94 HydrophobicContact CD1-CG2 4.41Å; F75-I94 HydrophobicContact CE1-CB 4.38Å; F75-I94 HydrophobicContact CE1-CG1 3.94Å; F75-I94 HydrophobicContact CE1-CG2 4.05Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 3.05Å; I94-V97 HydrophobicContact CB-CG2 4.24Å; I94-V97 HydrophobicContact CG2-CG2 3.91Å; I94-W105 HydrophobicContact CD1-CH2 4.01Å; I94-W105 HydrophobicContact CD1-CZ2 3.7Å; I94-L118 HydrophobicContact CD1-CD2 4.1Å
95K96.4Very high93.7Very high103 Ų10336.4 Ų36.445%0.44819%0.192SC..SBendtrans-63.2-39.2-172.5-66.3-178.4-165.6171.60112.5A72 Q73 K74A72-K95 WeakPolarHBondContact O-CE 3.46Å; A72-K95 PolarHBondContact O-NZ 3.03Å; Q73-K95 WeakPolarHBondContact O-CD 3.31Å; Q73-K95 PolarHBondContact O-NZ 2.9Å; K74-K95 WeakPolarHBondContact O-CB 3.25Å; K74-K95 WeakPolarHBondContact O-CG 3.26Å; K74-K95 PolarHBondContact O-N 3.18Å
96S95.9Very high94.1Very high63 Ų6333 Ų3344%0.44118%0.178SC..SBendtrans-148.9114.8176.9-167.60000108.6G34 I94G34-S96 VanDerWaalsContact CA-OG 3.29Å; G34-S96 WeakPolarHBondContact CA-OG 3.43Å; G34-S96 PolarHBondContact O-OG 2.92Å; I94-S96 VanDerWaalsContact C-N 3.31Å; I94-S96 PolarHBondContact O-N 3.05Å
97V95.4Very high94.5Very high2 Ų228.6 Ų28.61%0.01216%0.155CC..  trans-70.9129.5-178.8170.10000110V31 I33 G34 Q35 V37 I94 D101 V120V31-V97 HydrophobicContact CG2-CG1 4.37Å; I33-V97 WeakPolarHBondContact CA-O 3.46Å; G34-V97 PolarHBondContact N-O 2.82Å; Q35-V97 WeakPolarHBondContact O-CG2 3.41Å; Q35-V97 PolarHBondContact O-N 2.83Å; V37-V97 HydrophobicContact CB-CG2 3.85Å; V37-V97 HydrophobicContact CG2-CG2 3.53Å; I94-V97 HydrophobicContact CB-CG2 4.24Å; I94-V97 HydrophobicContact CG2-CG2 3.91Å; V97-D101 HydrophobicContact CG1-CB 4.32Å; V97-V120 HydrophobicContact CG1-CB 4.38Å; V97-V120 HydrophobicContact CG1-CG1 3.78Å; V97-V120 HydrophobicContact CG1-CG2 3.61Å
98S94.4Very high94.6Very high36 Ų3629.8 Ų29.825%0.25216%0.161SC..  trans-106.3165.8171.767.40000110.7K74 A100 D101K74-S98 PolarHBondContact NZ-OG 3.16Å; S98-A100 PolarHBondContact O-N 2.88Å; S98-D101 WeakPolarHBondContact CB-OD2 3.46Å; S98-D101 PolarHBondContact N-OD2 2.55Å; S98-D101 WeakPolarHBondContact O-CB 3.41Å; S98-D101 PolarHBondContact O-N 2.9Å; S98-D101 PolarHBondContact OG-OD2 2.68Å
99W94.3Very high94.6Very high9 Ų924 Ų243%0.03413%0.134CC..G310 helixtrans-56.6-37.5175.4-174.5-112.3000112.9I33 D101 R102 V120 A122 H208 N244 I246 M248I33-W99 HydrophobicContact CD1-CB 4.12Å; I33-W99 HydrophobicContact CD1-CE3 4.37Å; W99-D101 PolarHBondContact O-N 2.78Å; W99-R102 VanDerWaalsContact CZ2-CZ 3.48Å; W99-R102 VanDerWaalsContact O-CB 3.22Å; W99-R102 WeakPolarHBondContact O-CB 3.44Å; W99-R102 PolarHBondContact O-N 2.85Å; W99-R102 VanDerWaalsContact O-N 3.13Å; W99-V120 HydrophobicContact CE3-CG1 4.47Å; W99-V120 VanDerWaalsContact CZ3-O 3.25Å; W99-V120 WeakPolarHBondContact CZ3-O 3.14Å; W99-A122 HydrophobicContact CE3-CB 4Å; W99-A122 HydrophobicContact CZ3-CB 4.06Å; W99-H208 HydrophobicContact CH2-CB 3.35Å; W99-H208 AromaticContact CH2-CD2 3.64Å; W99-H208 AromaticContact CH2-CG 3.39Å; W99-H208 AromaticContact CH2-ND1 3.98Å; W99-H208 HydrophobicContact CZ2-CB 4.31Å; W99-H208 HydrophobicContact CZ3-CB 3.65Å; W99-H208 AromaticContact CZ3-CG 3.97Å; W99-N244 VanDerWaalsContact CB-O 3.25Å; W99-N244 WeakPolarHBondContact CB-O 3.29Å; W99-N244 VanDerWaalsContact CG-O 3.27Å; W99-I246 VanDerWaalsContact CE2-O 3.24Å; W99-I246 WeakPolarHBondContact CZ2-O 3.31Å; W99-I246 PolarHBondContact NE1-O 2.83Å; W99-M248 HydrophobicContact CB-CE 4Å; W99-M248 HydrophobicContact CD2-CE 3.26Å; W99-M248 HydrophobicContact CE3-CE 3.49Å; W99-M248 VanDerWaalsContact CE3-CE 3.49Å; W99-M248 HydrophobicContact CG-CE 3.5Å; W99-M248 HydrophobicContact CH2-CE 4.48Å; W99-M248 HydrophobicContact CH2-CG 4.38Å; W99-M248 HydrophobicContact CZ2-CE 4.3Å; W99-M248 HydrophobicContact CZ2-CG 4Å; W99-M248 HydrophobicContact CZ3-CE 4.1Å
100A92.5Very high94.2Very high33 Ų3325.4 Ų25.427%0.27315%0.147SC..G310 helixtrans-63.7-22.8179.400000113.3H58 S98 R102H58-A100 PolarHBondContact CE1-O 2.94Å; S98-A100 PolarHBondContact O-N 2.88Å; A100-R102 PolarHBondContact O-N 2.03Å
101D93.8Very high93.6Very high5 Ų530 Ų303%0.02719%0.186CC..G310 helixtrans-76.7-10.8178.7-61.4-52.9000113.1H58 K74 V97 S98 W99 W105 L118H58-D101 PolarHBondContact NE2-O 2.86Å; K74-D101 WeakPolarHBondContact CE-OD1 3.43Å; K74-D101 VanDerWaalsContact CE-OD2 3.29Å; K74-D101 WeakPolarHBondContact CE-OD2 3.35Å; K74-D101 IonicContact NZ-OD1 3.72Å; K74-D101 PolarHBondContact NZ-OD1 3.19Å; K74-D101 IonicContact NZ-OD2 3.96Å; K74-D101 PolarHBondContact NZ-OD2 2.71Å; V97-D101 HydrophobicContact CG1-CB 4.32Å; S98-D101 WeakPolarHBondContact CB-OD2 3.46Å; S98-D101 PolarHBondContact N-OD2 2.55Å; S98-D101 WeakPolarHBondContact O-CB 3.41Å; S98-D101 PolarHBondContact O-N 2.9Å; S98-D101 PolarHBondContact OG-OD2 2.68Å; W99-D101 PolarHBondContact O-N 2.78Å; D101-W105 HydrophobicContact CB-CZ2 4.26Å; D101-W105 PolarHBondContact O-NE1 2.76Å; D101-L118 HydrophobicContact CB-CD2 4.45Å
102R94.3Very high93.1Very high58 Ų5831.4 Ų31.422%0.21919%0.194CC..  trans-57.9152.1176-167.5-177.673.7156.5-0.4111.1H58 W99 A100 L118 V120 D247H58-R102 PolarHBondContact NE2-O 3.33Å; W99-R102 VanDerWaalsContact CZ2-CZ 3.48Å; W99-R102 VanDerWaalsContact O-CB 3.22Å; W99-R102 WeakPolarHBondContact O-CB 3.44Å; W99-R102 PolarHBondContact O-N 2.85Å; W99-R102 VanDerWaalsContact O-N 3.13Å; A100-R102 PolarHBondContact O-N 2.03Å; R102-L118 WeakPolarHBondContact CG-O 3.37Å; R102-V120 HydrophobicContact CB-CB 4.22Å; R102-V120 HydrophobicContact CB-CG2 3.97Å; R102-V120 HydrophobicContact CG-CB 4.3Å; R102-V120 HydrophobicContact CG-CG2 4.27Å; R102-D247 IonicContact CZ-OD2 3.77Å; R102-D247 IonicContact NH2-OD2 2.7Å; R102-D247 PolarHBondContact NH2-OD2 2.83Å
103G94Very high92.7Very high17 Ų1738.6 Ų38.618%0.17523%0.226CC..EExtended strand (participates in β ladder)trans98.1-146.5172.200000112W105 T117 L118G103-W105 PolarHBondContact O-N 3.49Å; G103-T117 WeakPolarHBondContact O-CA 3.4Å; G103-L118 PolarHBondContact N-O 2.9Å; G103-L118 PolarHBondContact O-N 2.71Å
104D94.4Very high92.5Very high58 Ų5839.4 Ų39.431%0.3123%0.232SC..EExtended strand (participates in β ladder)trans-89117.9-159.9-62.3-38000113.2H58 K59 K115 T117H58-D104 PolarHBondContact CD2-O 2.84Å; K59-D104 PolarHBondContact N-O 2.9Å; D104-K115 HydrophobicContact CB-CD 4.25Å; D104-K115 HydrophobicContact CB-CG 4.34Å; D104-K115 WeakPolarHBondContact OD1-CE 3.38Å; D104-K115 IonicContact OD1-NZ 3.36Å; D104-K115 PolarHBondContact OD1-NZ 3.19Å; D104-K115 WeakPolarHBondContact OD2-CE 3.06Å; D104-K115 IonicContact OD2-NZ 2.59Å; D104-K115 PolarHBondContact OD2-NZ 3.21Å; D104-T117 PolarHBondContact OD1-OG1 2.9Å
105W96.3Very high92.2Very high1 Ų145 Ų450%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-102.6138.4170.5-72.280.8000109.6L22 L39 H58 I63 F75 L92 I94 D101 G103 K115 Q116L22-W105 HydrophobicContact CD2-CB 4.45Å; L22-W105 WeakPolarHBondContact CD2-O 3.46Å; L39-W105 HydrophobicContact CD1-CB 3.83Å; L39-W105 HydrophobicContact CD1-CD2 3.28Å; L39-W105 HydrophobicContact CD1-CE3 3.21Å; L39-W105 HydrophobicContact CD1-CG 3.55Å; L39-W105 HydrophobicContact CD1-CZ3 3.89Å; H58-W105 HydrophobicContact CB-CD2 3.89Å; H58-W105 HydrophobicContact CB-CE3 3.84Å; H58-W105 HydrophobicContact CB-CH2 3.88Å; H58-W105 HydrophobicContact CB-CZ2 3.92Å; H58-W105 HydrophobicContact CB-CZ3 3.86Å; H58-W105 AromaticContact CD2-CD1 3.61Å; H58-W105 AromaticContact CD2-CD2 3.78Å; H58-W105 AromaticContact CD2-CE2 3.37Å; H58-W105 AromaticContact CD2-CG 3.93Å; H58-W105 AromaticContact CD2-CZ2 3.87Å; H58-W105 AromaticContact CD2-NE1 3.23Å; H58-W105 PolarHBondContact CD2-NE1 3.44Å; H58-W105 AromaticContact CG-CE2 3.71Å; H58-W105 AromaticContact CG-CZ2 3.78Å; H58-W105 AromaticContact NE2-NE1 3.67Å; I63-W105 HydrophobicContact CB-CZ3 4.4Å; I63-W105 HydrophobicContact CG1-CH2 4.2Å; I63-W105 HydrophobicContact CG1-CZ3 3.81Å; I63-W105 HydrophobicContact CG2-CZ3 4.35Å; F75-W105 AromaticContact CE1-CH2 3.78Å; F75-W105 HydrophobicContact CE1-CH2 3.78Å; F75-W105 HydrophobicContact CZ-CH2 4.03Å; L92-W105 HydrophobicContact CD2-CE3 4.28Å; L92-W105 HydrophobicContact CD2-CZ3 3.67Å; I94-W105 HydrophobicContact CD1-CH2 4.01Å; I94-W105 HydrophobicContact CD1-CZ2 3.7Å; D101-W105 HydrophobicContact CB-CZ2 4.26Å; D101-W105 PolarHBondContact O-NE1 2.76Å; G103-W105 PolarHBondContact O-N 3.49Å; W105-K115 CarbonylContact O-C 3.57Å; W105-K115 VanDerWaalsContact O-CA 3.28Å; W105-K115 WeakPolarHBondContact O-CA 3Å; W105-Q116 PolarHBondContact N-O 3.09Å; W105-Q116 PolarHBondContact O-N 3.18Å
106S95.3Very high92.1Very high15 Ų1543.7 Ų43.711%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-123.4136.3179.4-59.60000111F56 R57 T114F56-S106 WeakPolarHBondContact CA-O 3.45Å; R57-S106 PolarHBondContact N-O 2.82Å; R57-S106 PolarHBondContact O-N 2.75Å; S106-T114 CarbonylContact C-O 3.56Å; S106-T114 WeakPolarHBondContact CA-O 3.25Å
107C93.5Very high92Very high0 Ų044.1 Ų44.10%025%0.252CS..EExtended strand (participates in β ladder)trans-101.4129.7161.3-177.20000108L22 C41 V54 L55 K113 T114L22-C107 HydrophobicContact CB-CB 4.36Å; L22-C107 HydrophobicContact CD1-CB 4.28Å; L22-C107 HydrophobicContact CD2-CB 4.33Å; C41-C107 HydrophobicContact CB-CB 3.75Å; C41-C107 WeakPolarHBondContact CB-SG 3.33Å; C41-C107 WeakPolarHBondContact SG-CB 3.34Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.32Å; V54-C107 WeakPolarHBondContact CG1-SG 3.2Å; L55-C107 WeakPolarHBondContact O-CA 3.33Å; C107-K113 WeakPolarHBondContact O-CA 3.41Å; C107-T114 PolarHBondContact N-O 3.34Å; C107-T114 PolarHBondContact O-N 2.97Å
108I91.8Very high92Very high26 Ų2644 Ų4413%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-124.1133-174.8-50.7164.1000108.4V54 L55 R57 N112 K113V54-I108 WeakPolarHBondContact CA-O 3.4Å; L55-I108 HydrophobicContact CB-CB 4.37Å; L55-I108 HydrophobicContact CD1-CB 4.3Å; L55-I108 HydrophobicContact CD1-CG2 4.42Å; L55-I108 PolarHBondContact N-O 2.9Å; L55-I108 PolarHBondContact O-N 3.49Å; R57-I108 HydrophobicContact CB-CD1 3.96Å; I108-N112 WeakPolarHBondContact CA-O 3.37Å; I108-K113 HydrophobicContact CG1-CB 4.26Å
109Y87.9Confident92Very high4 Ų446.5 Ų46.52%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-140.2121.4173177-103.6000109.3I43 S49 Y52 V54 A111 N112I43-Y109 HydrophobicContact CD1-CD1 4.46Å; I43-Y109 HydrophobicContact CD1-CD2 3.78Å; I43-Y109 HydrophobicContact CD1-CE2 4.21Å; I43-Y109 HydrophobicContact CD1-CG 3.91Å; S49-Y109 PolarHBondContact O-OH 2.96Å; Y52-Y109 WeakPolarHBondContact O-CE2 3.05Å; V54-Y109 HydrophobicContact CG2-CD2 3.93Å; Y109-A111 PolarHBondContact O-N 2.91Å; Y109-N112 PolarHBondContact N-O 2.9Å; Y109-N112 PolarHBondContact O-N 3.32Å
110A83.7Confident92Very high45 Ų4546 Ų4637%0.37226%0.257SS..THydrogen-bonded Turntrans51.5-121-171.400000111.6Y52Y52-A110 HydrophobicContact CD1-CB 4.02Å; Y52-A110 HydrophobicContact CD2-CB 3.7Å; Y52-A110 HydrophobicContact CE1-CB 4.39Å; Y52-A110 HydrophobicContact CE2-CB 4.1Å; Y52-A110 HydrophobicContact CG-CB 3.66Å
111A82.6Confident92.1Very high99 Ų9946 Ų4682%0.81825%0.25SS*.THydrogen-bonded Turntrans-88.9-6.817700000113.9Y109Y109-A111 PolarHBondContact O-N 2.91Å
112N86.8Confident92.2Very high72 Ų7246.1 Ų46.139%0.38525%0.251SS..EExtended strand (participates in β ladder)trans-97.3142.7-173.6-61.9-30000111.3F20 I108 Y109F20-N112 HydrophobicContact CD1-CB 4.31Å; F20-N112 HydrophobicContact CE1-CB 3.31Å; F20-N112 HydrophobicContact CE2-CB 4.42Å; F20-N112 VanDerWaalsContact CZ-C 3.48Å; F20-N112 HydrophobicContact CZ-CB 3.39Å; I108-N112 WeakPolarHBondContact CA-O 3.37Å; Y109-N112 PolarHBondContact N-O 2.9Å; Y109-N112 PolarHBondContact O-N 3.32Å
113K89.3Confident92.2Very high151 Ų15146 Ų4666%0.65726%0.258SS*.EExtended strand (participates in β ladder)trans-131.4141.2173.569.5-177.1-177-177.90112.2F20 C107 I108F20-K113 VanDerWaalsContact CE2-C 3.41Å; C107-K113 WeakPolarHBondContact O-CA 3.41Å; I108-K113 HydrophobicContact CG1-CB 4.26Å
114T91.9Very high92.1Very high31 Ų3145.4 Ų45.419%0.1925%0.251CS..EExtended strand (participates in β ladder)trans-118.4148.2166.8440000108.3F20 S106 C107F20-T114 HydrophobicContact CD2-CG2 3.77Å; F20-T114 VanDerWaalsContact CD2-OG1 3.3Å; F20-T114 WeakPolarHBondContact CD2-OG1 3.32Å; F20-T114 HydrophobicContact CE1-CG2 4.24Å; F20-T114 HydrophobicContact CE2-CG2 3.48Å; F20-T114 VanDerWaalsContact CE2-CG2 3.48Å; F20-T114 WeakPolarHBondContact CE2-OG1 3.47Å; F20-T114 HydrophobicContact CG-CG2 4.3Å; F20-T114 HydrophobicContact CZ-CG2 3.67Å; F20-T114 WeakPolarHBondContact O-CG2 3.48Å; S106-T114 CarbonylContact C-O 3.56Å; S106-T114 WeakPolarHBondContact CA-O 3.25Å; C107-T114 PolarHBondContact N-O 3.34Å; C107-T114 PolarHBondContact O-N 2.97Å
115K92.4Very high92.1Very high116 Ų11649.8 Ų49.850%0.50427%0.268SS..EExtended strand (participates in β ladder)trans-131.3139.7-170.8174.9-179.6160.2166.30109.2D104 W105D104-K115 HydrophobicContact CB-CD 4.25Å; D104-K115 HydrophobicContact CB-CG 4.34Å; D104-K115 WeakPolarHBondContact OD1-CE 3.38Å; D104-K115 IonicContact OD1-NZ 3.36Å; D104-K115 PolarHBondContact OD1-NZ 3.19Å; D104-K115 WeakPolarHBondContact OD2-CE 3.06Å; D104-K115 IonicContact OD2-NZ 2.59Å; D104-K115 PolarHBondContact OD2-NZ 3.21Å; W105-K115 CarbonylContact O-C 3.57Å; W105-K115 VanDerWaalsContact O-CA 3.28Å; W105-K115 WeakPolarHBondContact O-CA 3Å
116Q93.4Very high92Very high76 Ų7650.3 Ų50.336%0.35527%0.271SS..EExtended strand (participates in β ladder)trans-138.6134173.2-172.162.225.300108.7L22 I24 W105L22-Q116 HydrophobicContact CB-CB 4.41Å; L22-Q116 HydrophobicContact CD2-CB 3.7Å; L22-Q116 HydrophobicContact CG-CB 3.8Å; I24-Q116 HydrophobicContact CD1-CG 3.44Å; I24-Q116 VanDerWaalsContact CD1-CG 3.44Å; I24-Q116 HydrophobicContact CG1-CG 3.66Å; W105-Q116 PolarHBondContact N-O 3.09Å; W105-Q116 PolarHBondContact O-N 3.18Å
117T94.1Very high92Very high73 Ų7354.3 Ų54.345%0.44829%0.288SS..EExtended strand (participates in β ladder)trans-90.1124.3178.1-54.70000109.1I24 G103 D104I24-T117 WeakPolarHBondContact CD1-O 3.29Å; G103-T117 WeakPolarHBondContact O-CA 3.4Å; D104-T117 PolarHBondContact OD1-OG1 2.9Å
118L95.1Very high91.9Very high0 Ų063.3 Ų63.30%033%0.327CS..EExtended strand (participates in β ladder)trans-90.3112.5172.6-179.463.2000108.8I24 V31 V37 I94 D101 R102 G103 V120I24-L118 HydrophobicContact CD1-CB 4.37Å; I24-L118 HydrophobicContact CD1-CD1 4.02Å; I24-L118 HydrophobicContact CG2-CD1 4.21Å; V31-L118 HydrophobicContact CG2-CD1 3.8Å; V31-L118 HydrophobicContact CG2-CG 4.43Å; V37-L118 HydrophobicContact CG1-CD1 4.11Å; I94-L118 HydrophobicContact CD1-CD2 4.1Å; D101-L118 HydrophobicContact CB-CD2 4.45Å; R102-L118 WeakPolarHBondContact CG-O 3.37Å; G103-L118 PolarHBondContact N-O 2.9Å; G103-L118 PolarHBondContact O-N 2.71Å; L118-V120 HydrophobicContact CD2-CG2 4.25Å; L118-V120 HydrophobicContact CG-CG2 3.98Å
119E94.2Very high92Very high87 Ų8763.4 Ų63.441%0.40733%0.327SS..  trans-92.9126.3175.4-165.2170.8162.900109.8Q29 P30 V31 Y121Q29-E119 PolarHBondContact OE1-O 2.86Å; P30-E119 HydrophobicContact CB-CB 3.98Å; P30-E119 HydrophobicContact CB-CG 3.92Å; P30-E119 HydrophobicContact CG-CB 4.11Å; P30-E119 HydrophobicContact CG-CG 3.87Å; V31-E119 WeakPolarHBondContact CG2-O 3.22Å; V31-E119 PolarHBondContact N-O 3.03Å; E119-Y121 HydrophobicContact CG-CE1 4.42Å
120V95.2Very high92.3Very high0 Ų064.7 Ų64.70%034%0.341CS..EExtended strand (participates in β ladder)trans-120.7130.2-174.3-175.30000108.9V31 I33 V97 W99 R102 L118V31-V120 HydrophobicContact CG2-CG2 4.1Å; V31-V120 CarbonylContact O-C 3.58Å; V31-V120 VanDerWaalsContact O-CA 3.31Å; V31-V120 WeakPolarHBondContact O-CA 3.48Å; I33-V120 HydrophobicContact CG1-CG1 3.69Å; V97-V120 HydrophobicContact CG1-CB 4.38Å; V97-V120 HydrophobicContact CG1-CG1 3.78Å; V97-V120 HydrophobicContact CG1-CG2 3.61Å; W99-V120 HydrophobicContact CE3-CG1 4.47Å; W99-V120 VanDerWaalsContact CZ3-O 3.25Å; W99-V120 WeakPolarHBondContact CZ3-O 3.14Å; R102-V120 HydrophobicContact CB-CB 4.22Å; R102-V120 HydrophobicContact CB-CG2 3.97Å; R102-V120 HydrophobicContact CG-CB 4.3Å; R102-V120 HydrophobicContact CG-CG2 4.27Å; L118-V120 HydrophobicContact CD2-CG2 4.25Å; L118-V120 HydrophobicContact CG-CG2 3.98Å
121Y95.3Very high92.7Very high33 Ų3364.9 Ų64.913%0.12934%0.338CS..EExtended strand (participates in β ladder)trans-99.1136.9172.9-79.26.2000110.3P30 V31 L32 I33 E119 P209 P277 Q278P30-Y121 HydrophobicContact CB-CD1 3.6Å; P30-Y121 HydrophobicContact CB-CD2 4.13Å; P30-Y121 HydrophobicContact CB-CE1 3.58Å; P30-Y121 HydrophobicContact CB-CE2 4.1Å; P30-Y121 HydrophobicContact CB-CG 3.92Å; P30-Y121 HydrophobicContact CG-CD1 4.06Å; P30-Y121 HydrophobicContact CG-CE1 3.47Å; P30-Y121 VanDerWaalsContact CG-CE1 3.47Å; P30-Y121 HydrophobicContact CG-CE2 4.01Å; P30-Y121 VanDerWaalsContact CG-CZ 3.46Å; V31-Y121 PolarHBondContact O-N 2.82Å; L32-Y121 WeakPolarHBondContact CA-O 3.24Å; I33-Y121 PolarHBondContact N-O 2.8Å; E119-Y121 HydrophobicContact CG-CE1 4.42Å; Y121-P209 HydrophobicContact CD1-CG 4.46Å; Y121-P209 HydrophobicContact CE1-CG 4.03Å; Y121-P209 HydrophobicContact CE2-CG 4.27Å; Y121-P277 HydrophobicContact CE2-CB 3.91Å; Y121-P277 HydrophobicContact CE2-CG 3.84Å; Y121-Q278 HydrophobicContact CD2-CB 3.59Å; Y121-Q278 HydrophobicContact CE2-CB 4.38Å; Y121-Q278 HydrophobicContact CG-CB 4.09Å
122A94.5Very high93Very high6 Ų662.5 Ų62.55%0.0532%0.315CS..BIsolated β-bridgetrans-122.192.2178.900000108.5I33 W99 A124 G207 H208 M248I33-A122 HydrophobicContact CD1-CB 3.48Å; I33-A122 VanDerWaalsContact CD1-CB 3.48Å; I33-A122 HydrophobicContact CG1-CB 4.24Å; W99-A122 HydrophobicContact CE3-CB 4Å; W99-A122 HydrophobicContact CZ3-CB 4.06Å; A122-A124 PolarHBondContact O-N 3.29Å; A122-G207 CarbonylContact O-C 3.26Å; A122-G207 WeakPolarHBondContact O-CA 3.47Å; A122-H208 CarbonylContact C-O 3.46Å; A122-H208 HydrophobicContact CB-CB 4.41Å; A122-H208 PolarHBondContact N-O 3.35Å; A122-H208 PolarHBondContact O-N 3.06Å; A122-M248 HydrophobicContact CB-CE 3.42Å; A122-M248 VanDerWaalsContact CB-CE 3.42Å; A122-M248 HydrophobicContact CB-SD 4.2Å
123P93.7Very high92.9Very high57 Ų5761.7 Ų61.737%0.3732%0.315SS..PPolyproline II helixtrans-55.3123.6175.7-24.934.5000111.1L32 Q278 Y279L32-P123 HydrophobicContact CD2-CG 3.73Å; P123-Q278 HydrophobicContact CB-CG 4.34Å; P123-Q278 HydrophobicContact CG-CB 4.36Å; P123-Q278 HydrophobicContact CG-CG 4.34Å; P123-Y279 HydrophobicContact CB-CD1 4.28Å; P123-Y279 HydrophobicContact CB-CE1 3.65Å
124A93.7Very high92.4Very high3 Ų356 Ų563%0.02529%0.291CS..PPolyproline II helixtrans-71.1155.6170.200000109.9A122 T205 Y279 L284A122-A124 PolarHBondContact O-N 3.29Å; A124-T205 WeakPolarHBondContact CB-O 3.43Å; A124-Y279 WeakPolarHBondContact CA-OH 3.49Å; A124-Y279 WeakPolarHBondContact CB-OH 3.39Å; A124-Y279 PolarHBondContact N-OH 3.27Å; A124-Y279 PolarHBondContact O-OH 3.13Å; A124-L284 WeakPolarHBondContact O-CD1 3.46Å
125K93.6Very high90.9Very high151 Ų15160.7 Ų60.766%0.65732%0.32SS*.PPolyproline II helixtrans-98.7151171.1-62.6177.6-177.7176.20109.1T204 T205K125-T204 CarbonylContact O-C 3.5Å; K125-T204 VanDerWaalsContact O-CA 3.29Å; K125-T204 WeakPolarHBondContact O-CA 3.44Å; K125-T205 HydrophobicContact CB-CG2 4.04Å; K125-T205 PolarHBondContact N-OG1 3Å; K125-T205 PolarHBondContact O-N 2.8Å
126L94.5Very high88.9Confident12 Ų1259.1 Ų59.16%0.06332%0.324CS..BIsolated β-bridgetrans-80.8124.2169.3-86.3174.5000110.6C202 T204 V274 L284 R286L126-C202 WeakPolarHBondContact CD2-SG 3.47Å; L126-T204 HydrophobicContact CD2-CG2 4.24Å; L126-V274 HydrophobicContact CD1-CG2 3.87Å; L126-V274 HydrophobicContact CD2-CG2 3.35Å; L126-V274 HydrophobicContact CG-CG2 3.56Å; L126-L284 HydrophobicContact CD1-CB 4.05Å; L126-L284 WeakPolarHBondContact CD1-O 3.27Å; L126-L284 HydrophobicContact CG-CB 4.46Å; L126-R286 HydrophobicContact CB-CG 3.81Å; L126-R286 HydrophobicContact CD1-CB 4.43Å; L126-R286 HydrophobicContact CD1-CG 3.81Å; L126-R286 HydrophobicContact CG-CG 4.33Å; L126-R286 PolarHBondContact O-NH2 2.85Å
127E94.8Very high86.5Confident99 Ų9961.9 Ų61.946%0.46334%0.341SS..  trans-66.5175170.3-60.4-160.9156.900111A203 T205 R286E127-A203 HydrophobicContact CB-CB 4.4Å; E127-A203 WeakPolarHBondContact CB-O 3.15Å; E127-A203 HydrophobicContact CG-CB 4.44Å; E127-A203 PolarHBondContact N-O 3.12Å; E127-T205 HydrophobicContact CG-CG2 4.03Å; E127-R286 PolarHBondContact O-NE 2.98Å
128K92.2Very high83.5Confident189 Ų18963.9 Ų63.982%0.82236%0.355SS*.PPolyproline II helixtrans-67141.8170.2-69.2-176.1179.9179.60108.3G130K128-G130 PolarHBondContact O-N 3.21Å
129M93.9Very high80.5Confident28 Ų2869.5 Ų69.514%0.13839%0.389CS..PPolyproline II helixtrans-67122.2176.1-166.8171.3-67.800109.1L200 T201 W215 C272 R286 V288M129-L200 HydrophobicContact CG-CB 4.4Å; M129-L200 HydrophobicContact CG-CD2 4.44Å; M129-L200 HydrophobicContact SD-CB 4.1Å; M129-L200 HydrophobicContact SD-CD1 3.98Å; M129-L200 HydrophobicContact SD-CD2 4.01Å; M129-L200 HydrophobicContact SD-CG 4.26Å; M129-T201 CarbonylContact C-O 3.58Å; M129-T201 WeakPolarHBondContact CA-O 3.46Å; M129-T201 WeakPolarHBondContact CG-O 3.35Å; M129-W215 HydrophobicContact CE-CH2 3.9Å; M129-W215 HydrophobicContact CE-CZ3 3.61Å; M129-W215 HydrophobicContact SD-CH2 4.06Å; M129-W215 HydrophobicContact SD-CZ3 3.9Å; M129-C272 HydrophobicContact CE-CB 3.54Å; M129-R286 HydrophobicContact CE-CB 3.98Å; M129-V288 HydrophobicContact CB-CG2 4.14Å; M129-V288 HydrophobicContact CE-CG2 4.41Å; M129-V288 HydrophobicContact CG-CG2 4.18Å; M129-V288 HydrophobicContact SD-CB 3.9Å; M129-V288 HydrophobicContact SD-CG2 3.37Å; M129-V288 WeakPolarHBondContact SD-CG2 3.16Å
130G92.9Very high77.4Confident31 Ų3171.1 Ų71.132%0.3241%0.405SS..EExtended strand (participates in β ladder)trans-74.4142.3171.900000110K128 L200 T201K128-G130 PolarHBondContact O-N 3.21Å; G130-L200 CarbonylContact O-C 3.56Å; G130-L200 WeakPolarHBondContact O-CA 3.36Å; G130-T201 PolarHBondContact N-O 2.83Å; G130-T201 PolarHBondContact O-N 2.88Å
131V92.2Very high74.4Confident49 Ų4977.8 Ų77.830%0.29744%0.44SS..EExtended strand (participates in β ladder)trans-133.2125.8178.8-173.20000108.1Y190 I198 Q199 L200V131-Y190 HydrophobicContact CB-CE2 4.42Å; V131-Y190 HydrophobicContact CG1-CE1 4.45Å; V131-Y190 HydrophobicContact CG1-CE2 3.98Å; V131-Y190 HydrophobicContact CG2-CE2 3.82Å; V131-I198 HydrophobicContact CG1-CB 4.42Å; V131-I198 HydrophobicContact CG1-CG2 4.39Å; V131-Q199 WeakPolarHBondContact CA-O 3.35Å; V131-L200 HydrophobicContact CB-CD2 4.45Å; V131-L200 HydrophobicContact CG1-CD2 4.22Å; V131-L200 HydrophobicContact CG2-CD2 3.78Å
132S90Very high71.2Confident49 Ų4985.4 Ų85.434%0.34347%0.474SS..EExtended strand (participates in β ladder)trans-137160.6-179.957.20000111.2Q199S132-Q199 PolarHBondContact N-O 2.84Å; S132-Q199 PolarHBondContact O-N 2.77Å; S132-Q199 WeakPolarHBondContact OG-CB 3.45Å; S132-Q199 PolarHBondContact OG-O 2.83Å
133S83Confident68Low55 Ų5593.8 Ų93.839%0.38551%0.512SS..EExtended strand (participates in β ladder)trans-82.5132.7-176.1-173.60000112.9Y180S133-Y180 WeakPolarHBondContact CA-OH 2.96Å; S133-Y180 WeakPolarHBondContact CB-OH 3.45Å; S133-Y180 PolarHBondContact OG-OH 2.94Å
134L80.1Confident64.8Low30 Ų3095.3 Ų95.316%0.15753%0.525CS..EExtended strand (participates in β ladder)trans-89.2109.6161.5-76.4156.6000108.1S136 Y180 G197 I198 Q199 H256L134-S136 PolarHBondContact O-N 3.02Å; L134-Y180 PolarHBondContact N-OH 3.34Å; L134-Y180 VanDerWaalsContact N-OH 3.16Å; L134-G197 PolarHBondContact N-O 2.03Å; L134-I198 VanDerWaalsContact CD1-O 3.24Å; L134-I198 WeakPolarHBondContact CD1-O 3.29Å; L134-Q199 HydrophobicContact CD1-CB 4.43Å; L134-Q199 HydrophobicContact CG-CB 4.25Å; L134-H256 HydrophobicContact CD1-CB 3.78Å
135T59.7Low61.7Low130 Ų130105 Ų10580%0.79857%0.572SS**PPolyproline II helixtrans-58.3121.6165.5-24.40000107.2L137T135-L137 PolarHBondContact O-N 2.83Å
136S49.9Very low58.5Low84 Ų84104.3 Ų104.359%0.58757%0.574SS**PPolyproline II helixtrans-48.8132.7179.752.90000110.6L134L134-S136 PolarHBondContact O-N 3.02Å
137L43Very low55.5Low134 Ų134113.4 Ų113.470%0.70261%0.613SS**PPolyproline II helixtrans-54.6136160.9-79.797.1000107.6T135 V139T135-L137 PolarHBondContact O-N 2.83Å; L137-V139 PolarHBondContact O-N 2.88Å
138P31.8Very low52.3Low115 Ų115115.2 Ų115.275%0.74763%0.626SS**PPolyproline II helixtrans-58116.3177.122.5-30.5000108T140P138-T140 VanDerWaalsContact C-N 3.32Å; P138-T140 PolarHBondContact O-N 2.82Å
139V31.7Very low49Very low118 Ų118111.2 Ų111.272%0.71562%0.622SS**  trans-59.1103.7164.6-179.90000105L137 N141L137-V139 PolarHBondContact O-N 2.88Å; V139-N141 PolarHBondContact O-N 3.21Å
140T30.2Very low46Very low120 Ų120115 Ų11574%0.73665%0.651SS**  trans-60.296.6163.124.70000106.3P138 K142P138-T140 VanDerWaalsContact C-N 3.32Å; P138-T140 PolarHBondContact O-N 2.82Å; T140-K142 VanDerWaalsContact C-N 3.25Å; T140-K142 PolarHBondContact O-N 3.16Å
141N30.6Very low42.8Very low140 Ų140119.3 Ų119.375%0.74968%0.676SS**  trans-5993.2166.5-72.7-10.6000107.3V139V139-N141 PolarHBondContact O-N 3.21Å
142K28.7Very low40.6Very low194 Ų194122.8 Ų122.884%0.84370%0.7SS**  trans-98.671.6163.9-86-171175.6179.70108T140T140-K142 VanDerWaalsContact C-N 3.25Å; T140-K142 PolarHBondContact O-N 3.16Å
143E28.5Very low37.6Very low181 Ų181126.5 Ų126.585%0.84673%0.726SS**  trans-165.6124.5166.8-105.5147.3171.800105
144S26.1Very low34.8Very low90 Ų90132.3 Ų132.363%0.62975%0.747SS**  cis-163.11230.449.10000104I146S144-I146 VanDerWaalsContact C-N 3.3Å; S144-I146 PolarHBondContact O-N 3.4Å
145M28.2Very low32.3Very low205 Ų205138 Ų138100%1.0178%0.777SS**  trans-83.286.3163.8-88-170.5156.200107.1
146I27.4Very low30.5Very low137 Ų137137 Ų13770%0.70378%0.775SS**  trans-107.4103.9159.1-58.9175.3000105.6S144S144-I146 VanDerWaalsContact C-N 3.3Å; S144-I146 PolarHBondContact O-N 3.4Å
147K30.8Very low29.4Very low204 Ų204138.7 Ų138.789%0.88779%0.787SS**  trans-146.695.5158.1-120.2179.9-177.5-178.30110
148D26.9Very low28.6Very low136 Ų136137.7 Ų137.773%0.72779%0.791SS**  trans2.1128.2145.8-68.9-35.2000119.7
149S24.3Very low28.6Very low106 Ų106137.7 Ų137.774%0.74179%0.794SS**  trans36.9116.3132.768.20000119.7
150S29Very low28.4Very low108 Ų108137.5 Ų137.576%0.75580%0.797SS**  159.811795.561.20000111.6
151S26.6Very low28.5Very low121 Ų121139.3 Ų139.385%0.84680%0.802SS**  trans63.9153.9140.5-55.60000121.3
152P45.3Very low28.4Very low122 Ų122137.3 Ų137.379%0.79281%0.805SS**  trans-113.8153.3-132.539.5-31.6000114.9
153S27.9Very low28.5Very low127 Ų127134.4 Ų134.489%0.88880%0.804SS**  trans-146.9131156-60.10000109.9
154E24Very low28.6Very low177 Ų177131 Ų13183%0.82781%0.806SS**  trans-66.1170177.9-64.9174.7133.700114
155L26.8Very low28.7Very low150 Ų150130 Ų13079%0.78581%0.81SS**  trans87.492.7161.1-68.7120.9000118.5
156S22.1Very low28.8Very low107 Ų107128.8 Ų128.875%0.74881%0.807SS**  24.9116.8114.8-47.10000117.5
157S27.4Very low28.8Very low121 Ų121129.3 Ų129.385%0.84681%0.811SS**  -179.2131.8119.4-74.40000111.3
158S25.5Very low28.9Very low113 Ų113125.2 Ų125.279%0.7981%0.808SS**  trans-44.5136.1167.246.20000115.3
159S32.5Very low28.9Very low115 Ų115122.9 Ų122.980%0.80481%0.807SS**  trans-147.7111.6141.857.60000110.7
160S27.3Very low29.2Very low113 Ų113125.1 Ų125.179%0.7981%0.81SS**  trans-74.4117.8167.9-33.80000107.8
161L31.7Very low29.2Very low158 Ų158124.8 Ų124.883%0.82781%0.808SS**  trans-138.498158.4-123.196.1000109.3
162A29.2Very low29.4Very low99 Ų99126.2 Ų126.282%0.81881%0.805SS**  trans-64.3125.7161.900000109.2
163T31.7Very low28.8Very low133 Ų133128.5 Ų128.582%0.81681%0.808SS**  trans-14177154.526.50000107.7
164A30Very low28.8Very low109 Ų109124.7 Ų124.790%0.90179%0.79SS**  trans-75.3123.8153.700000107.2
165G28.6Very low29.1Very low68 Ų68122.6 Ų122.670%0.70179%0.789SS**  trans-165.452.117800000109.4D167G165-D167 PolarHBondContact O-N 3.26Å; G165-D167 VanDerWaalsContact O-N 3.09Å
166L30.6Very low29.5Very low181 Ų181120.1 Ų120.195%0.94878%0.782SS**  trans-80.471.3175.8-157.691.5000108.3
167D27.3Very low30.3Very low148 Ų148120.5 Ų120.579%0.79178%0.782SS**  trans-114.6101.8172.5-81.3-31.8000109.3G165G165-D167 PolarHBondContact O-N 3.26Å; G165-D167 VanDerWaalsContact O-N 3.09Å
168S31.5Very low31.5Very low117 Ų117118.8 Ų118.882%0.81877%0.77SS**  trans173.595.7145.7-80.30000107.4
169A28.3Very low33.2Very low87 Ų87119.8 Ų119.872%0.71976%0.762SS**  73.896.897.600000112.3
170L30.9Very low34.8Very low153 Ų153115 Ų11580%0.80173%0.727SS**  171.2103.9116.2-90.3152.2000109.3I172L170-I172 PolarHBondContact O-N 2.85Å
171S27.7Very low37.1Very low102 Ų102115.8 Ų115.871%0.71372%0.72SS**  trans-43.4103.5146.152.10000110.5
172I31.7Very low39.5Very low150 Ų150109.2 Ų109.277%0.76969%0.691SS**  trans-104.497.7147.8-62.9-179.2000105.6L170 G174L170-I172 PolarHBondContact O-N 2.85Å; I172-G174 PolarHBondContact O-N 2.72Å
173I32.6Very low42.3Very low170 Ų170110.5 Ų110.587%0.87268%0.683SS**  trans-54.894.3162.1-62.6163.7000106.2
174G27.3Very low45.1Very low48 Ų48104.4 Ų104.450%0.49565%0.647SS.*  trans-149.894.6170.400000105.1I172 P176I172-G174 PolarHBondContact O-N 2.72Å; G174-P176 WeakPolarHBondContact O-CD 3.45Å
175T31Very low48.1Very low133 Ų133102 Ų10282%0.81662%0.622SS**  trans-43.6115.3158.539.90000106.5
176P34Very low51Low98 Ų98107 Ų10764%0.63662%0.619SS**  trans-55.5131.2-175.819.8-30.4000107.4G174 S178G174-P176 WeakPolarHBondContact O-CD 3.45Å; P176-S178 PolarHBondContact O-N 2.81Å
177P40.3Very low53.8Low114 Ų114104.4 Ų104.474%0.7461%0.611SS**  trans-55.1123178.422-30.9000107.1Q179P177-Q179 PolarHBondContact O-N 2.84Å
178S52Low56.9Low86 Ų86100.5 Ų100.560%0.60159%0.59SS**  trans-40.7107.2-17951.90000110.1P176 Y180P176-S178 PolarHBondContact O-N 2.81Å; S178-Y180 PolarHBondContact O-N 2.77Å
179Q61Low59.8Low133 Ų13396 Ų9662%0.62156%0.558SS**  trans-73.515.5-173.1-71.2-178.4-11.200113.6P177 I181 L196P177-Q179 PolarHBondContact O-N 2.84Å; Q179-I181 PolarHBondContact O-N 2.84Å; Q179-L196 HydrophobicContact CB-CD1 4.4Å
180Y66.6Low62.9Low16 Ų1693.6 Ų93.66%0.06353%0.531CS..  trans-85.9112.3176-47-69000109S133 L134 S178 G182 L192 L196 G197 I198S133-Y180 WeakPolarHBondContact CA-OH 2.96Å; S133-Y180 WeakPolarHBondContact CB-OH 3.45Å; S133-Y180 PolarHBondContact OG-OH 2.94Å; L134-Y180 PolarHBondContact N-OH 3.34Å; L134-Y180 VanDerWaalsContact N-OH 3.16Å; S178-Y180 PolarHBondContact O-N 2.77Å; Y180-G182 PolarHBondContact O-N 3.05Å; Y180-G182 VanDerWaalsContact O-N 3.17Å; Y180-L192 HydrophobicContact CD1-CD2 3.68Å; Y180-L192 HydrophobicContact CE1-CD2 3.95Å; Y180-L196 HydrophobicContact CD1-CB 4.44Å; Y180-L196 HydrophobicContact CD1-CD1 4.42Å; Y180-L196 HydrophobicContact CE1-CB 3.91Å; Y180-L196 HydrophobicContact CE1-CD1 4.43Å; Y180-G197 VanDerWaalsContact CE1-O 3.28Å; Y180-G197 WeakPolarHBondContact CE1-O 3.48Å; Y180-G197 VanDerWaalsContact CZ-O 3.23Å; Y180-G197 PolarHBondContact OH-O 2.03Å; Y180-I198 HydrophobicContact CD1-CG2 3.28Å; Y180-I198 HydrophobicContact CD2-CG2 3.85Å; Y180-I198 HydrophobicContact CE1-CB 4.39Å; Y180-I198 HydrophobicContact CE1-CG2 3.11Å; Y180-I198 HydrophobicContact CE2-CG2 3.74Å; Y180-I198 HydrophobicContact CG-CG2 3.67Å
181I74.6Confident65.8Low129 Ų12987.4 Ų87.466%0.66250%0.498SS*.  trans-74.7107.2171.3-57.4174.1000106.5Q179 P189 D191Q179-I181 PolarHBondContact O-N 2.84Å; I181-P189 VanDerWaalsContact O-O 3.05Å; I181-D191 HydrophobicContact CB-CB 4.29Å; I181-D191 PolarHBondContact O-N 2.85Å
182G82.5Confident68.8Low20 Ų2082.7 Ų82.721%0.20647%0.465CS..SBendtrans141.5175.9168.100000115.4Y180 N188 P189 Y190Y180-G182 PolarHBondContact O-N 3.05Å; Y180-G182 VanDerWaalsContact O-N 3.17Å; G182-N188 WeakPolarHBondContact CA-OD1 3.01Å; G182-P189 WeakPolarHBondContact CA-O 3.33Å; G182-Y190 VanDerWaalsContact O-CE1 3.22Å; G182-Y190 WeakPolarHBondContact O-CE1 3.46Å
183L87.6Confident71.4Confident125 Ų12580.8 Ų80.865%0.65445%0.448SS*.  trans-1094.8-176.1-64.9175.9000112.9T185 N188L183-T185 HydrophobicContact CB-CG2 4.17Å; L183-T185 PolarHBondContact O-N 2.9Å; L183-N188 CarbonylContact C-O 3.55Å; L183-N188 PolarHBondContact N-O 2.84Å
184G91Very high73.7Confident6 Ų677.5 Ų77.56%0.06244%0.44CS..SBendtrans7018.5-175.600000114.2N188 Y190 V288 Y289G184-N188 PolarHBondContact N-O 2.84Å; G184-Y190 VanDerWaalsContact CA-CD2 3.5Å; G184-V288 WeakPolarHBondContact O-CA 3.49Å; G184-Y289 PolarHBondContact O-N 2.86Å
185T92.9Very high76.3Confident59 Ų5978 Ų7836%0.36245%0.446SS..BIsolated β-bridgetrans-97.6162.2178.266.50000110.8L183 T187 N188 P189 Y289L183-T185 HydrophobicContact CB-CG2 4.17Å; L183-T185 PolarHBondContact O-N 2.9Å; T185-T187 PolarHBondContact O-N 2.9Å; T185-N188 PolarHBondContact N-O 2.87Å; T185-N188 CarbonylContact O-C 3.57Å; T185-N188 PolarHBondContact O-N 2.96Å; T185-N188 VanDerWaalsContact O-N 3.11Å; T185-N188 WeakPolarHBondContact OG1-CB 3.39Å; T185-N188 PolarHBondContact OG1-N 3.49Å; T185-N188 VanDerWaalsContact OG1-N 3.07Å; T185-N188 PolarHBondContact OG1-O 2.83Å; T185-P189 VanDerWaalsContact O-CA 3.24Å; T185-P189 WeakPolarHBondContact O-CA 3.46Å; T185-Y289 WeakPolarHBondContact O-CB 3.42Å
186R89.4Confident78.8Confident171 Ų17173.5 Ų73.565%0.64542%0.416SS*.THydrogen-bonded Turntrans-57.8-35.9-179.6-168.9174.268.3102.7-0.7113.4L267 Y289R186-L267 HydrophobicContact CG-CD2 4.31Å; R186-Y289 HydrophobicContact CB-CD1 4.09Å; R186-Y289 HydrophobicContact CB-CD2 4.01Å; R186-Y289 HydrophobicContact CB-CE1 3.96Å; R186-Y289 HydrophobicContact CB-CE2 3.87Å; R186-Y289 HydrophobicContact CB-CG 4.11Å; R186-Y289 HydrophobicContact CG-CD1 4.12Å; R186-Y289 HydrophobicContact CG-CE1 3.89Å
187T90Very high81.5Confident128 Ų12868.9 Ų68.979%0.78539%0.387SS*.THydrogen-bonded Turntrans-89.7-16.2179.750.20000113.4T185T185-T187 PolarHBondContact O-N 2.9Å
188N91.8Very high83.9Confident65 Ų6563.5 Ų63.535%0.34835%0.351SS..BIsolated β-bridgetrans-14271.3178.2-169.65.1000109G182 L183 G184 T185G182-N188 WeakPolarHBondContact CA-OD1 3.01Å; L183-N188 CarbonylContact C-O 3.55Å; L183-N188 PolarHBondContact N-O 2.84Å; G184-N188 PolarHBondContact N-O 2.84Å; T185-N188 PolarHBondContact N-O 2.87Å; T185-N188 CarbonylContact O-C 3.57Å; T185-N188 PolarHBondContact O-N 2.96Å; T185-N188 VanDerWaalsContact O-N 3.11Å; T185-N188 WeakPolarHBondContact OG1-CB 3.39Å; T185-N188 PolarHBondContact OG1-N 3.49Å; T185-N188 VanDerWaalsContact OG1-N 3.07Å; T185-N188 PolarHBondContact OG1-O 2.83Å
189P93.3Very high85.9Confident22 Ų2261.6 Ų61.614%0.14333%0.333CS..  trans-74.1163.2-176.132.2-37.1000110.9I181 G182 T185 D191 L267 Y289 L291I181-P189 VanDerWaalsContact O-O 3.05Å; G182-P189 WeakPolarHBondContact CA-O 3.33Å; T185-P189 VanDerWaalsContact O-CA 3.24Å; T185-P189 WeakPolarHBondContact O-CA 3.46Å; P189-D191 PolarHBondContact O-N 2.91Å; P189-L267 HydrophobicContact CB-CD1 3.8Å; P189-L267 HydrophobicContact CG-CD1 3.91Å; P189-Y289 WeakPolarHBondContact CA-O 3.11Å; P189-Y289 WeakPolarHBondContact CB-O 3.2Å; P189-L291 HydrophobicContact CB-CB 4.31Å; P189-L291 HydrophobicContact CG-CB 3.91Å
190Y93.2Very high87.5Confident37 Ų3755.2 Ų55.215%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-70120.1168.3-65.9-61000110.1V131 G182 G184 L192 I198 V288 Y289 I290 L291V131-Y190 HydrophobicContact CB-CE2 4.42Å; V131-Y190 HydrophobicContact CG1-CE1 4.45Å; V131-Y190 HydrophobicContact CG1-CE2 3.98Å; V131-Y190 HydrophobicContact CG2-CE2 3.82Å; G182-Y190 VanDerWaalsContact O-CE1 3.22Å; G182-Y190 WeakPolarHBondContact O-CE1 3.46Å; G184-Y190 VanDerWaalsContact CA-CD2 3.5Å; Y190-L192 PolarHBondContact O-N 2.9Å; Y190-I198 HydrophobicContact CD2-CD1 4.17Å; Y190-V288 HydrophobicContact CD2-CG1 3.51Å; Y190-V288 HydrophobicContact CE2-CG1 3.51Å; Y190-Y289 PolarHBondContact N-O 2.86Å; Y190-I290 WeakPolarHBondContact O-CA 3.34Å; Y190-L291 PolarHBondContact O-N 2.91Å
191D91.1Very high88.9Confident24 Ų2455.9 Ų55.913%0.12831%0.309CS..EExtended strand (participates in β ladder)trans-78.7112177.7-168.2-3.7000111.7I181 P189 R193I181-D191 HydrophobicContact CB-CB 4.29Å; I181-D191 PolarHBondContact O-N 2.85Å; P189-D191 PolarHBondContact O-N 2.91Å; D191-R193 VanDerWaalsContact OD1-CB 3.28Å; D191-R193 WeakPolarHBondContact OD1-CB 3.46Å; D191-R193 WeakPolarHBondContact OD1-CG 3.32Å; D191-R193 IonicContact OD1-CZ 3.06Å; D191-R193 PolarHBondContact OD1-N 2.94Å; D191-R193 IonicContact OD1-NE 3.92Å; D191-R193 PolarHBondContact OD1-NE 2.75Å; D191-R193 IonicContact OD1-NH2 2.65Å; D191-R193 IonicContact OD2-CZ 3.29Å; D191-R193 IonicContact OD2-NE 3.78Å; D191-R193 PolarHBondContact OD2-NE 3.31Å; D191-R193 IonicContact OD2-NH2 3.83Å; D191-R193 PolarHBondContact OD2-NH2 3.03Å
192L90.6Very high90Very high3 Ų349.8 Ų49.82%0.01628%0.278CS..  trans-110.58.5178.9-55.4-175000112.4Y180 Y190 S194 G195 L196 I198 V257 C259 I290 L291Y180-L192 HydrophobicContact CD1-CD2 3.68Å; Y180-L192 HydrophobicContact CE1-CD2 3.95Å; Y190-L192 PolarHBondContact O-N 2.9Å; L192-S194 PolarHBondContact O-N 3.4Å; L192-G195 PolarHBondContact O-N 2.96Å; L192-L196 HydrophobicContact CD2-CB 4.41Å; L192-I198 HydrophobicContact CD1-CD1 4.33Å; L192-I198 HydrophobicContact CD1-CG1 4.21Å; L192-I198 HydrophobicContact CD2-CG1 4.47Å; L192-I198 HydrophobicContact CD2-CG2 3.73Å; L192-V257 HydrophobicContact CD1-CG1 3.98Å; L192-C259 VanDerWaalsContact CB-SG 3.55Å; L192-I290 HydrophobicContact CD1-CB 4.01Å; L192-I290 HydrophobicContact CD1-CD1 4.3Å; L192-I290 HydrophobicContact CD1-CG2 4.14Å; L192-I290 HydrophobicContact CG-CB 4.48Å; L192-L291 PolarHBondContact N-O 3.43Å
193R86.6Confident90.6Very high110 Ų11049.6 Ų49.642%0.41527%0.274SS..THydrogen-bonded Turntrans-60-29.5-175.4-68.3177.1-66.2175.93.1113.3D191 G195 L291 A293 E296D191-R193 VanDerWaalsContact OD1-CB 3.28Å; D191-R193 WeakPolarHBondContact OD1-CB 3.46Å; D191-R193 WeakPolarHBondContact OD1-CG 3.32Å; D191-R193 IonicContact OD1-CZ 3.06Å; D191-R193 PolarHBondContact OD1-N 2.94Å; D191-R193 IonicContact OD1-NE 3.92Å; D191-R193 PolarHBondContact OD1-NE 2.75Å; D191-R193 IonicContact OD1-NH2 2.65Å; D191-R193 IonicContact OD2-CZ 3.29Å; D191-R193 IonicContact OD2-NE 3.78Å; D191-R193 PolarHBondContact OD2-NE 3.31Å; D191-R193 IonicContact OD2-NH2 3.83Å; D191-R193 PolarHBondContact OD2-NH2 3.03Å; R193-G195 PolarHBondContact O-N 3.05Å; R193-L291 HydrophobicContact CG-CG 4.34Å; R193-A293 HydrophobicContact CB-CB 4.35Å; R193-A293 HydrophobicContact CG-CB 4.27Å; R193-E296 WeakPolarHBondContact CD-OE1 3.28Å; R193-E296 IonicContact CZ-OE1 3.85Å; R193-E296 IonicContact NE-OE1 3.89Å; R193-E296 IonicContact NH1-OE1 2.85Å; R193-E296 PolarHBondContact NH1-OE1 3.16Å; R193-E296 IonicContact NH1-OE2 3.36Å
194S81.8Confident91Very high100 Ų10043.8 Ų43.870%0.69924%0.244SC*.THydrogen-bonded Turntrans-73.711.4179.5-50.40000114.4L192 L196L192-S194 PolarHBondContact O-N 3.4Å; S194-L196 VanDerWaalsContact C-N 3.27Å; S194-L196 PolarHBondContact O-N 2.79Å
195G80.7Confident91.2Very high59 Ų5945.7 Ų45.761%0.60826%0.255SS*.SBendtrans78.79.6-174.800000114L192 R193L192-G195 PolarHBondContact O-N 2.96Å; R193-G195 PolarHBondContact O-N 3.05Å
196L84.4Confident91.3Very high39 Ų3944.9 Ų44.920%0.20425%0.251CS..  trans-68.7146.1176.1-60.1172000110.3Q179 Y180 L192 S194Q179-L196 HydrophobicContact CB-CD1 4.4Å; Y180-L196 HydrophobicContact CD1-CB 4.44Å; Y180-L196 HydrophobicContact CD1-CD1 4.42Å; Y180-L196 HydrophobicContact CE1-CB 3.91Å; Y180-L196 HydrophobicContact CE1-CD1 4.43Å; L192-L196 HydrophobicContact CD2-CB 4.41Å; S194-L196 VanDerWaalsContact C-N 3.27Å; S194-L196 PolarHBondContact O-N 2.79Å
197G89.2Confident91.6Very high1 Ų136.9 Ų36.91%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-113.4153.2168.800000111.3L134 Y180 V257 H258L134-G197 PolarHBondContact N-O 2.03Å; Y180-G197 VanDerWaalsContact CE1-O 3.28Å; Y180-G197 WeakPolarHBondContact CE1-O 3.48Å; Y180-G197 VanDerWaalsContact CZ-O 3.23Å; Y180-G197 PolarHBondContact OH-O 2.03Å; G197-V257 CarbonylContact C-O 3.04Å; G197-V257 WeakPolarHBondContact CA-O 3.41Å; G197-H258 VanDerWaalsContact CA-CE1 3.47Å; G197-H258 WeakPolarHBondContact CA-CE1 3.45Å
198I92.3Very high91.8Very high0 Ų032.7 Ų32.70%019%0.193CC..EExtended strand (participates in β ladder)trans-119.8149.3172.356.6179.4000111.1V131 L134 Y180 Y190 L192 L200 V257 I290V131-I198 HydrophobicContact CG1-CB 4.42Å; V131-I198 HydrophobicContact CG1-CG2 4.39Å; L134-I198 VanDerWaalsContact CD1-O 3.24Å; L134-I198 WeakPolarHBondContact CD1-O 3.29Å; Y180-I198 HydrophobicContact CD1-CG2 3.28Å; Y180-I198 HydrophobicContact CD2-CG2 3.85Å; Y180-I198 HydrophobicContact CE1-CB 4.39Å; Y180-I198 HydrophobicContact CE1-CG2 3.11Å; Y180-I198 HydrophobicContact CE2-CG2 3.74Å; Y180-I198 HydrophobicContact CG-CG2 3.67Å; Y190-I198 HydrophobicContact CD2-CD1 4.17Å; L192-I198 HydrophobicContact CD1-CD1 4.33Å; L192-I198 HydrophobicContact CD1-CG1 4.21Å; L192-I198 HydrophobicContact CD2-CG1 4.47Å; L192-I198 HydrophobicContact CD2-CG2 3.73Å; I198-L200 HydrophobicContact CD1-CD1 4.48Å; I198-L200 HydrophobicContact CD1-CD2 3.73Å; I198-L200 HydrophobicContact CD1-CG 4.12Å; I198-L200 HydrophobicContact CG1-CD2 4.34Å; I198-L200 HydrophobicContact CG1-CG 4.36Å; I198-V257 HydrophobicContact CD1-CB 4.49Å; I198-V257 HydrophobicContact CG1-CB 3.74Å; I198-V257 HydrophobicContact CG1-CG1 4.32Å; I198-V257 HydrophobicContact CG1-CG2 4.3Å; I198-V257 PolarHBondContact N-O 3.06Å; I198-V257 PolarHBondContact O-N 2.95Å; I198-I290 HydrophobicContact CD1-CG2 3.7Å
199Q93.1Very high91.9Very high46 Ų4630.7 Ų30.722%0.21518%0.183CC..EExtended strand (participates in β ladder)trans-102120.2164.3172.7171.1-1.900109.3V131 S132 L134 N254 L255 H256V131-Q199 WeakPolarHBondContact CA-O 3.35Å; S132-Q199 PolarHBondContact N-O 2.84Å; S132-Q199 PolarHBondContact O-N 2.77Å; S132-Q199 WeakPolarHBondContact OG-CB 3.45Å; S132-Q199 PolarHBondContact OG-O 2.83Å; L134-Q199 HydrophobicContact CD1-CB 4.43Å; L134-Q199 HydrophobicContact CG-CB 4.25Å; Q199-N254 PolarHBondContact NE2-OD1 2.94Å; Q199-N254 VanDerWaalsContact NE2-OD1 3.16Å; Q199-L255 WeakPolarHBondContact CA-O 3.43Å; Q199-H256 PolarHBondContact OE1-NE2 2.81Å
200L95.4Very high91.8Very high0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-96134.3172.8-59.7177.9000109.4M129 G130 V131 I198 W215 N254 L255 V257 V270 V288M129-L200 HydrophobicContact CG-CB 4.4Å; M129-L200 HydrophobicContact CG-CD2 4.44Å; M129-L200 HydrophobicContact SD-CB 4.1Å; M129-L200 HydrophobicContact SD-CD1 3.98Å; M129-L200 HydrophobicContact SD-CD2 4.01Å; M129-L200 HydrophobicContact SD-CG 4.26Å; G130-L200 CarbonylContact O-C 3.56Å; G130-L200 WeakPolarHBondContact O-CA 3.36Å; V131-L200 HydrophobicContact CB-CD2 4.45Å; V131-L200 HydrophobicContact CG1-CD2 4.22Å; V131-L200 HydrophobicContact CG2-CD2 3.78Å; I198-L200 HydrophobicContact CD1-CD1 4.48Å; I198-L200 HydrophobicContact CD1-CD2 3.73Å; I198-L200 HydrophobicContact CD1-CG 4.12Å; I198-L200 HydrophobicContact CG1-CD2 4.34Å; I198-L200 HydrophobicContact CG1-CG 4.36Å; L200-W215 HydrophobicContact CB-CH2 3.76Å; L200-W215 HydrophobicContact CB-CZ3 4.09Å; L200-W215 HydrophobicContact CD1-CZ3 4.12Å; L200-N254 CarbonylContact O-C 3.6Å; L200-N254 WeakPolarHBondContact O-CA 3.34Å; L200-L255 HydrophobicContact CB-CB 4.49Å; L200-L255 PolarHBondContact N-O 3.1Å; L200-L255 PolarHBondContact O-N 2.79Å; L200-V257 HydrophobicContact CD1-CG2 3.81Å; L200-V257 HydrophobicContact CG-CG2 4.19Å; L200-V270 HydrophobicContact CD1-CB 4.08Å; L200-V270 HydrophobicContact CD1-CG1 3.65Å; L200-V270 HydrophobicContact CD1-CG2 4.49Å; L200-V288 HydrophobicContact CD2-CG1 4.34Å
201T95.7Very high91.7Very high30 Ų3033.8 Ų33.818%0.18419%0.193CC..EExtended strand (participates in β ladder)trans-117.9123.7175.2-54.40000108.6M129 G130 E252 N254M129-T201 CarbonylContact C-O 3.58Å; M129-T201 WeakPolarHBondContact CA-O 3.46Å; M129-T201 WeakPolarHBondContact CG-O 3.35Å; G130-T201 PolarHBondContact N-O 2.83Å; G130-T201 PolarHBondContact O-N 2.88Å; T201-E252 HydrophobicContact CG2-CG 3.74Å; T201-N254 WeakPolarHBondContact CB-OD1 3.19Å; T201-N254 WeakPolarHBondContact CG2-OD1 3.21Å; T201-N254 PolarHBondContact OG1-OD1 3.1Å
202C96.5Very high91.8Very high1 Ų136.4 Ų36.41%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-114.5123.9173.6-165.50000108.9L126 I213 W215 E252 S253 C272L126-C202 WeakPolarHBondContact CD2-SG 3.47Å; C202-I213 HydrophobicContact CB-CD1 4.34Å; C202-I213 HydrophobicContact CB-CG2 4.32Å; C202-I213 VanDerWaalsContact O-CD1 3.24Å; C202-I213 WeakPolarHBondContact O-CD1 3.35Å; C202-W215 HydrophobicContact CB-CH2 3.59Å; C202-W215 HydrophobicContact CB-CZ2 3.39Å; C202-E252 CarbonylContact O-C 3.59Å; C202-E252 WeakPolarHBondContact O-CA 3.45Å; C202-S253 PolarHBondContact N-O 3.31Å; C202-S253 PolarHBondContact O-N 2.76Å; C202-C272 HydrophobicContact CB-CB 3.72Å; C202-C272 WeakPolarHBondContact CB-SG 3.44Å; C202-C272 WeakPolarHBondContact SG-CB 3.25Å; C202-C272 CovalentContact SG-SG 2.03Å; C202-C272 PolarHBondContact SG-SG 3.33Å
203A96.4Very high92.1Very high16 Ų1636.4 Ų36.413%0.13221%0.207CC..EExtended strand (participates in β ladder)trans-127.7148.6-177.600000110.8E127 T251 E252E127-A203 HydrophobicContact CB-CB 4.4Å; E127-A203 WeakPolarHBondContact CB-O 3.15Å; E127-A203 HydrophobicContact CG-CB 4.44Å; E127-A203 PolarHBondContact N-O 3.12Å; A203-T251 CarbonylContact C-O 3.59Å; A203-T251 WeakPolarHBondContact CA-O 3.38Å; A203-E252 HydrophobicContact CB-CG 4.46Å
204T96.2Very high92.5Very high3 Ų333.4 Ų33.42%0.01820%0.2CC..BIsolated β-bridgetrans-104.9149.5171.672.30000111K125 L126 A211 I213 T250 T251 V274K125-T204 CarbonylContact O-C 3.5Å; K125-T204 VanDerWaalsContact O-CA 3.29Å; K125-T204 WeakPolarHBondContact O-CA 3.44Å; L126-T204 HydrophobicContact CD2-CG2 4.24Å; T204-A211 HydrophobicContact CG2-CB 4.15Å; T204-I213 HydrophobicContact CG2-CD1 4.21Å; T204-I213 HydrophobicContact CG2-CG1 4.39Å; T204-T250 WeakPolarHBondContact O-CB 3.43Å; T204-T250 WeakPolarHBondContact O-CG2 3.41Å; T204-T251 PolarHBondContact N-O 3.08Å; T204-T251 PolarHBondContact OG1-N 3.38Å; T204-V274 HydrophobicContact CG2-CG1 4.49Å; T204-V274 HydrophobicContact CG2-CG2 3.8Å
205T95Very high93.2Very high46 Ų4628.8 Ų28.828%0.28217%0.168SC..  trans-67.8176.5164.368.70000110.7A124 K125 E127 G207A124-T205 WeakPolarHBondContact CB-O 3.43Å; K125-T205 HydrophobicContact CB-CG2 4.04Å; K125-T205 PolarHBondContact N-OG1 3Å; K125-T205 PolarHBondContact O-N 2.8Å; E127-T205 HydrophobicContact CG-CG2 4.03Å; T205-G207 PolarHBondContact O-N 2.7Å
206C95Very high93.9Very high42 Ų4228.1 Ų28.128%0.28415%0.15SC..SBendtrans-55.7129.7173-65.30000111.7C239 T245 M248C206-C239 WeakPolarHBondContact CA-SG 3.19Å; C206-C239 HydrophobicContact CB-CB 3.82Å; C206-C239 WeakPolarHBondContact CB-SG 3.45Å; C206-C239 WeakPolarHBondContact SG-CB 3.48Å; C206-C239 CovalentContact SG-SG 2.03Å; C206-C239 PolarHBondContact SG-SG 3.04Å; C206-T245 HydrophobicContact CB-CG2 4.47Å; C206-M248 HydrophobicContact CB-CB 4.08Å; C206-M248 HydrophobicContact CB-SD 4Å
207G94.9Very high94.4Very high2 Ų226.3 Ų26.32%0.02114%0.141CC..BIsolated β-bridgetrans-160.3174.2172.200000114.1A122 T205 M248 T249A122-G207 CarbonylContact O-C 3.26Å; A122-G207 WeakPolarHBondContact O-CA 3.47Å; T205-G207 PolarHBondContact O-N 2.7Å; G207-M248 WeakPolarHBondContact O-CA 3.38Å; G207-M248 WeakPolarHBondContact O-CB 3.4Å; G207-T249 PolarHBondContact N-O 2.86Å; G207-T249 VanDerWaalsContact N-O 3.08Å; G207-T249 PolarHBondContact O-N 3.26Å
208H94.6Very high94.6Very high40 Ų4028 Ų2819%0.18515%0.149CC..BIsolated β-bridgetrans-149.8139.8179.8-173.688.5000111.4W99 A122 M248W99-H208 HydrophobicContact CH2-CB 3.35Å; W99-H208 AromaticContact CH2-CD2 3.64Å; W99-H208 AromaticContact CH2-CG 3.39Å; W99-H208 AromaticContact CH2-ND1 3.98Å; W99-H208 HydrophobicContact CZ2-CB 4.31Å; W99-H208 HydrophobicContact CZ3-CB 3.65Å; W99-H208 AromaticContact CZ3-CG 3.97Å; A122-H208 CarbonylContact C-O 3.46Å; A122-H208 HydrophobicContact CB-CB 4.41Å; A122-H208 PolarHBondContact N-O 3.35Å; A122-H208 PolarHBondContact O-N 3.06Å; H208-M248 HydrophobicContact CB-CG 4.35Å
209P93.4Very high94.4Very high24 Ų2430 Ų3016%0.15616%0.159CC..SBendcis-69.1179.7-6.330.7-35000111.4Y121 A211 P277 Q278Y121-P209 HydrophobicContact CD1-CG 4.46Å; Y121-P209 HydrophobicContact CE1-CG 4.03Å; Y121-P209 HydrophobicContact CE2-CG 4.27Å; P209-A211 PolarHBondContact O-N 2.86Å; P209-P277 HydrophobicContact CG-CG 3.47Å; P209-P277 VanDerWaalsContact CG-CG 3.47Å; P209-Q278 PolarHBondContact O-NE2 2.82Å
210R92.5Very high94Very high120 Ų12035.3 Ų35.345%0.45318%0.184SC..  trans-48.4129.7176.8176-173.4173.4-177.76110.9N232 I234R210-N232 PolarHBondContact NH2-O 3.2Å; R210-I234 VanDerWaalsContact NE-CD1 3.33Å; R210-I234 VanDerWaalsContact NH2-CD1 3.31Å
211A91.5Very high93.4Very high3 Ų341.7 Ų41.73%0.02522%0.223CC..  trans-82.5143.3171.900000111.2T204 P209 T251 V274 Y279T204-A211 HydrophobicContact CG2-CB 4.15Å; P209-A211 PolarHBondContact O-N 2.86Å; A211-T251 WeakPolarHBondContact O-CG2 3.32Å; A211-T251 PolarHBondContact O-OG1 3.04Å; A211-V274 HydrophobicContact CB-CG1 3.57Å; A211-Y279 HydrophobicContact CB-CE2 4.36Å
212N92.8Very high92.9Very high79 Ų7943.8 Ų43.842%0.42223%0.232SC..EExtended strand (participates in β ladder)trans-110.4127.5171.2-166.316.7000110N232 V274 N275N212-N232 PolarHBondContact OD1-ND2 3.16Å; N212-V274 WeakPolarHBondContact O-CA 3.49Å; N212-N275 PolarHBondContact N-O 2.8Å; N212-N275 PolarHBondContact O-N 2.81Å
213I95.2Very high92.7Very high3 Ų348.3 Ų48.32%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-94.8133.9178-66.3172.9000109.7C202 T204 N232 T251 C272 S273 V274C202-I213 HydrophobicContact CB-CD1 4.34Å; C202-I213 HydrophobicContact CB-CG2 4.32Å; C202-I213 VanDerWaalsContact O-CD1 3.24Å; C202-I213 WeakPolarHBondContact O-CD1 3.35Å; T204-I213 HydrophobicContact CG2-CD1 4.21Å; T204-I213 HydrophobicContact CG2-CG1 4.39Å; I213-N232 PolarHBondContact N-ND2 3.04Å; I213-N232 PolarHBondContact O-ND2 3.32Å; I213-T251 HydrophobicContact CD1-CG2 3.99Å; I213-T251 HydrophobicContact CG1-CG2 4.13Å; I213-C272 WeakPolarHBondContact CG2-SG 3.37Å; I213-S273 WeakPolarHBondContact CA-O 3.49Å; I213-V274 HydrophobicContact CG1-CG2 4.15Å
214T95.2Very high92.4Very high47 Ų4750.8 Ų50.829%0.28827%0.268SS..EExtended strand (participates in β ladder)trans-126.4149.5173.450.20000110.9S273 N275T214-S273 PolarHBondContact N-O 3.29Å; T214-S273 PolarHBondContact O-N 3.47Å; T214-S273 PolarHBondContact O-OG 2.92Å; T214-S273 PolarHBondContact OG1-OG 2.7Å; T214-N275 PolarHBondContact OG1-ND2 3.03Å
215W96.6Very high92.3Very high3 Ų353.9 Ų53.91%0.01129%0.294CS..EExtended strand (participates in β ladder)trans-115.8135.7-178.7-65.393.4000111.3M129 L200 C202 I226 S253 L255 V270 Q271 C272M129-W215 HydrophobicContact CE-CH2 3.9Å; M129-W215 HydrophobicContact CE-CZ3 3.61Å; M129-W215 HydrophobicContact SD-CH2 4.06Å; M129-W215 HydrophobicContact SD-CZ3 3.9Å; L200-W215 HydrophobicContact CB-CH2 3.76Å; L200-W215 HydrophobicContact CB-CZ3 4.09Å; L200-W215 HydrophobicContact CD1-CZ3 4.12Å; C202-W215 HydrophobicContact CB-CH2 3.59Å; C202-W215 HydrophobicContact CB-CZ2 3.39Å; W215-I226 HydrophobicContact CB-CB 4.39Å; W215-I226 PolarHBondContact O-N 3.5Å; W215-S253 PolarHBondContact NE1-OG 3.13Å; W215-L255 HydrophobicContact CB-CD2 4.05Å; W215-L255 HydrophobicContact CD2-CB 3.94Å; W215-L255 HydrophobicContact CD2-CD2 3.7Å; W215-L255 HydrophobicContact CD2-CG 4.41Å; W215-L255 HydrophobicContact CE3-CB 4.29Å; W215-L255 HydrophobicContact CE3-CD2 3.58Å; W215-L255 HydrophobicContact CG-CB 4.36Å; W215-L255 HydrophobicContact CG-CD2 3.93Å; W215-L255 HydrophobicContact CH2-CB 4.3Å; W215-L255 HydrophobicContact CZ2-CB 3.99Å; W215-L255 HydrophobicContact CZ3-CB 4.45Å; W215-L255 HydrophobicContact CZ3-CD2 4.18Å; W215-V270 HydrophobicContact CE3-CG1 3.89Å; W215-V270 HydrophobicContact CZ3-CG1 4.08Å; W215-Q271 WeakPolarHBondContact CA-O 3.29Å; W215-C272 HydrophobicContact CD2-CB 4.31Å; W215-C272 HydrophobicContact CE3-CB 3.88Å; W215-C272 HydrophobicContact CH2-CB 3.93Å; W215-C272 HydrophobicContact CZ2-CB 4.31Å; W215-C272 HydrophobicContact CZ3-CB 3.69Å
216L95.5Very high92.1Very high45 Ų4552.4 Ų52.424%0.23628%0.284CS..EExtended strand (participates in β ladder)trans-127.3142.4172.9-60.2177000108.8K224 A225 V270 Q271L216-K224 CarbonylContact C-O 3.55Å; L216-K224 WeakPolarHBondContact CA-O 3.43Å; L216-A225 HydrophobicContact CD2-CB 3.82Å; L216-V270 CarbonylContact O-C 3.54Å; L216-V270 WeakPolarHBondContact O-CA 3.5Å; L216-Q271 HydrophobicContact CB-CB 4.38Å; L216-Q271 PolarHBondContact N-O 2.92Å; L216-Q271 PolarHBondContact O-N 2.85Å
217V95.1Very high91.9Very high2 Ų257.6 Ų57.61%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-109.9134.6160.464.60000108.9T223 K224 I226 I264 N268 Q269 V270V217-T223 WeakPolarHBondContact O-CA 3.45Å; V217-K224 HydrophobicContact CG1-CB 3.75Å; V217-K224 HydrophobicContact CG1-CD 4.34Å; V217-K224 HydrophobicContact CG1-CG 4.46Å; V217-K224 PolarHBondContact N-O 3.16Å; V217-K224 PolarHBondContact O-N 3.42Å; V217-I226 HydrophobicContact CB-CD1 3.47Å; V217-I226 VanDerWaalsContact CB-CD1 3.47Å; V217-I226 HydrophobicContact CB-CG1 4.32Å; V217-I226 HydrophobicContact CG1-CD1 3.45Å; V217-I226 VanDerWaalsContact CG1-CD1 3.45Å; V217-I226 HydrophobicContact CG1-CG1 3.86Å; V217-I264 HydrophobicContact CG1-CG2 4.2Å; V217-I264 HydrophobicContact CG2-CD1 4.35Å; V217-I264 HydrophobicContact CG2-CG2 4.31Å; V217-N268 HydrophobicContact CG2-CB 3.83Å; V217-Q269 CarbonylContact C-O 3.57Å; V217-Q269 WeakPolarHBondContact CA-O 2.95Å; V217-V270 HydrophobicContact CG2-CG2 4.33Å
218M94Very high91.7Very high36 Ų3659.2 Ų59.218%0.17732%0.316CS..EExtended strand (participates in β ladder)trans-128.8139.9-179-63.7167.4-71.300109.3M222 T223 N268 Q269 Q271M218-M222 CarbonylContact C-O 3.21Å; M218-M222 VanDerWaalsContact CA-O 3.31Å; M218-M222 WeakPolarHBondContact CA-O 3.4Å; M218-T223 HydrophobicContact CG-CG2 3.75Å; M218-T223 HydrophobicContact SD-CG2 4.48Å; M218-N268 CarbonylContact O-C 3.57Å; M218-N268 WeakPolarHBondContact O-CA 3.42Å; M218-Q269 HydrophobicContact CB-CB 4.41Å; M218-Q269 HydrophobicContact CE-CB 4.44Å; M218-Q269 HydrophobicContact CE-CG 3.96Å; M218-Q269 PolarHBondContact N-O 2.84Å; M218-Q269 PolarHBondContact O-N 3.38Å; M218-Q271 HydrophobicContact CE-CB 3.49Å; M218-Q271 VanDerWaalsContact CE-CB 3.49Å; M218-Q271 HydrophobicContact CE-CG 4.28Å
219N88.7Confident91.4Very high42 Ų4260 Ų6023%0.22532%0.323CS..  trans-133-170.8165.56625.6000108.9T221 M222 N268N219-T221 PolarHBondContact O-N 2.98Å; N219-T221 PolarHBondContact OD1-N 3.15Å; N219-T221 PolarHBondContact OD1-OG1 3.1Å; N219-M222 PolarHBondContact N-O 3.04Å; N219-M222 WeakPolarHBondContact OD1-CA 3.36Å; N219-M222 WeakPolarHBondContact OD1-CB 3.31Å; N219-M222 PolarHBondContact OD1-N 3.29Å; N219-M222 PolarHBondContact OD1-O 3.15Å; N219-N268 WeakPolarHBondContact CB-OD1 3.43Å
220E84.5Confident91.2Very high158 Ų15862.8 Ų62.874%0.73834%0.337SS*.SBendtrans-58.9-28.9-179.7-66.7-173.1171.700113.6R297E220-R297 IonicContact OE1-NH1 2.71Å; E220-R297 IonicContact OE2-CZ 2.68Å; E220-R297 IonicContact OE2-NH1 3.6Å; E220-R297 PolarHBondContact OE2-NH1 2.9Å; E220-R297 IonicContact OE2-NH2 3.19Å; E220-R297 PolarHBondContact OE2-NH2 3.43Å
221T82.4Confident91.1Very high133 Ų13362.4 Ų62.482%0.81635%0.35SS*.SBendtrans-116.8-9.2-169.156.90000114N219N219-T221 PolarHBondContact O-N 2.98Å; N219-T221 PolarHBondContact OD1-N 3.15Å; N219-T221 PolarHBondContact OD1-OG1 3.1Å
222M85.2Confident91.1Very high74 Ų7463.2 Ų63.237%0.36535%0.354SS..  trans-145.3141.9-166.7-169.4-165-15600111.2M218 N219 K224M218-M222 CarbonylContact C-O 3.21Å; M218-M222 VanDerWaalsContact CA-O 3.31Å; M218-M222 WeakPolarHBondContact CA-O 3.4Å; N219-M222 PolarHBondContact N-O 3.04Å; N219-M222 WeakPolarHBondContact OD1-CA 3.36Å; N219-M222 WeakPolarHBondContact OD1-CB 3.31Å; N219-M222 PolarHBondContact OD1-N 3.29Å; N219-M222 PolarHBondContact OD1-O 3.15Å; M222-K224 HydrophobicContact CE-CB 3.76Å; M222-K224 HydrophobicContact CE-CD 3.65Å; M222-K224 HydrophobicContact CE-CG 3.92Å; M222-K224 HydrophobicContact CG-CB 4.38Å; M222-K224 HydrophobicContact SD-CB 3.98Å; M222-K224 HydrophobicContact SD-CD 4.32Å
223T91.5Very high91.2Very high97 Ų9762.5 Ų62.560%0.59535%0.35SS*.EExtended strand (participates in β ladder)trans-125.2123.8159-63.10000107.7V217 M218V217-T223 WeakPolarHBondContact O-CA 3.45Å; M218-T223 HydrophobicContact CG-CG2 3.75Å; M218-T223 HydrophobicContact SD-CG2 4.48Å
224K91Very high91.1Very high68 Ų6864.9 Ų64.930%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-128127.2-176.2-173.9-174.2-173.71700109.4L216 V217 M222 L262L216-K224 CarbonylContact C-O 3.55Å; L216-K224 WeakPolarHBondContact CA-O 3.43Å; V217-K224 HydrophobicContact CG1-CB 3.75Å; V217-K224 HydrophobicContact CG1-CD 4.34Å; V217-K224 HydrophobicContact CG1-CG 4.46Å; V217-K224 PolarHBondContact N-O 3.16Å; V217-K224 PolarHBondContact O-N 3.42Å; M222-K224 HydrophobicContact CE-CB 3.76Å; M222-K224 HydrophobicContact CE-CD 3.65Å; M222-K224 HydrophobicContact CE-CG 3.92Å; M222-K224 HydrophobicContact CG-CB 4.38Å; M222-K224 HydrophobicContact SD-CB 3.98Å; M222-K224 HydrophobicContact SD-CD 4.32Å; K224-L262 PolarHBondContact NZ-O 3.04Å
225A92.8Very high91.1Very high68 Ų6865.9 Ų65.956%0.56236%0.363SS*.EExtended strand (participates in β ladder)trans-73.3133.916900000110.1L216L216-A225 HydrophobicContact CD2-CB 3.82Å
226I92.4Very high90.6Very high14 Ų1472.1 Ų72.17%0.07239%0.392CS..EExtended strand (participates in β ladder)trans-114.7134.3178.1-55.2166.6000108.5W215 V217 L255 L262W215-I226 HydrophobicContact CB-CB 4.39Å; W215-I226 PolarHBondContact O-N 3.5Å; V217-I226 HydrophobicContact CB-CD1 3.47Å; V217-I226 VanDerWaalsContact CB-CD1 3.47Å; V217-I226 HydrophobicContact CB-CG1 4.32Å; V217-I226 HydrophobicContact CG1-CD1 3.45Å; V217-I226 VanDerWaalsContact CG1-CD1 3.45Å; V217-I226 HydrophobicContact CG1-CG1 3.86Å; I226-L255 HydrophobicContact CB-CD1 4.45Å; I226-L255 HydrophobicContact CD1-CD2 4.45Å; I226-L255 HydrophobicContact CG2-CD1 3.56Å; I226-L262 HydrophobicContact CD1-CD1 3.95Å; I226-L262 HydrophobicContact CD1-CD2 4.25Å; I226-L262 HydrophobicContact CG1-CD2 4.32Å; I226-L262 HydrophobicContact CG2-CD2 3.77Å
227M90.3Very high90.1Very high151 Ų15175.4 Ų75.474%0.74441%0.41SS*.  trans-74.2135.9171.9-65.2-61.1135.700109.5
228P90.7Very high89.8Confident36 Ų3679.4 Ų79.423%0.23443%0.434CS..  trans-62.5153.6174.930.7-36000110.1N230 S253P228-N230 VanDerWaalsContact CB-O 3.27Å; P228-N230 WeakPolarHBondContact CB-O 3.46Å; P228-N230 WeakPolarHBondContact CG-O 3.47Å; P228-N230 PolarHBondContact O-N 3.13Å; P228-S253 WeakPolarHBondContact CB-OG 3.42Å
229T88.2Confident89.6Confident56 Ų5677.8 Ų77.834%0.34443%0.427SS..SBendtrans-56.9-41.8178-60.20000111.1N254 H256T229-N254 WeakPolarHBondContact CB-O 3.39Å; T229-N254 PolarHBondContact N-O 3.25Å; T229-H256 WeakPolarHBondContact CG2-ND1 3.13Å; T229-H256 WeakPolarHBondContact OG1-CB 3.1Å; T229-H256 PolarHBondContact OG1-N 3.47Å
230N88.8Confident89.5Confident83 Ų8377.6 Ų77.644%0.44443%0.428SS..SBendtrans-124.1153.4176.2-64-38000109.2P228P228-N230 VanDerWaalsContact CB-O 3.27Å; P228-N230 WeakPolarHBondContact CB-O 3.46Å; P228-N230 WeakPolarHBondContact CG-O 3.47Å; P228-N230 PolarHBondContact O-N 3.13Å
231P90.9Very high89.6Confident112 Ų11277.3 Ų77.373%0.72743%0.432SS*.PPolyproline II helixtrans-52.7150.1167.4-23.633.7000111.3I233P231-I233 PolarHBondContact O-N 3.06Å; P231-I233 VanDerWaalsContact O-N 3.1Å
232N92.3Very high89.9Confident21 Ų2173 Ų7311%0.11241%0.407CS..PPolyproline II helixtrans-57118.1179.1-70.8-15.8000111R210 N212 I213 T251 E252 S253R210-N232 PolarHBondContact NH2-O 3.2Å; N212-N232 PolarHBondContact OD1-ND2 3.16Å; I213-N232 PolarHBondContact N-ND2 3.04Å; I213-N232 PolarHBondContact O-ND2 3.32Å; N232-T251 HydrophobicContact CB-CG2 3.86Å; N232-E252 CarbonylContact C-O 3.56Å; N232-E252 WeakPolarHBondContact CA-O 3.48Å; N232-S253 WeakPolarHBondContact OD1-CB 3.39Å; N232-S253 PolarHBondContact OD1-OG 3.44Å
233I93.8Very high89.9Confident64 Ų6474 Ų7433%0.32842%0.419SS..EExtended strand (participates in β ladder)trans-78.5128.2178.8-54.7173.6000107.3P231 H235 T251 E252P231-I233 PolarHBondContact O-N 3.06Å; P231-I233 VanDerWaalsContact O-N 3.1Å; I233-H235 WeakPolarHBondContact CG2-NE2 3.3Å; I233-T251 CarbonylContact O-C 3.59Å; I233-T251 WeakPolarHBondContact O-CA 3.31Å; I233-E252 HydrophobicContact CB-CB 4.43Å; I233-E252 PolarHBondContact N-O 2.88Å; I233-E252 PolarHBondContact O-N 3.13Å
234I93.7Very high89.7Confident52 Ų5273.7 Ų73.727%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-108124.9177.3-41.4159.2000106.4R210 E236 T249 T250R210-I234 VanDerWaalsContact NE-CD1 3.33Å; R210-I234 VanDerWaalsContact NH2-CD1 3.31Å; I234-E236 HydrophobicContact CG2-CG 4.33Å; I234-T249 HydrophobicContact CG2-CG2 4Å; I234-T250 WeakPolarHBondContact CA-O 3.49Å
235H93.9Very high89.7Confident68 Ų6872.4 Ų72.432%0.31541%0.412SS..EExtended strand (participates in β ladder)trans-98.9105.7169.6-56.5-81.9000109.1I233 V238 T250I233-H235 WeakPolarHBondContact CG2-NE2 3.3Å; H235-V238 HydrophobicContact CB-CB 4.42Å; H235-V238 HydrophobicContact CB-CG2 3.61Å; H235-T250 WeakPolarHBondContact CB-OG1 3.39Å; H235-T250 PolarHBondContact N-O 2.7Å; H235-T250 PolarHBondContact O-N 3.03Å
236E87.1Confident89.6Confident134 Ų13472.6 Ų72.663%0.62640%0.402SS*.SBendtrans-79.3148.2168-61.6179-178.400108.6I234 V238 T249I234-E236 HydrophobicContact CG2-CG 4.33Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 PolarHBondContact O-N 2.58Å; E236-V238 VanDerWaalsContact O-N 3.13Å; E236-T249 HydrophobicContact CG-CG2 4.25Å
237N84.6Confident89.5Confident115 Ų11576 Ų7662%0.61542%0.421SS*.SBendtrans73.7-15.5176.9-48.9-48.1000118.4C239 S240N237-C239 PolarHBondContact O-N 2.95Å; N237-C239 VanDerWaalsContact O-N 3.16Å; N237-S240 PolarHBondContact O-N 3.07Å
238V88.7Confident89.7Confident86 Ų8669.3 Ų69.352%0.52139%0.388SS..THydrogen-bonded Turntrans-57.2-33174176.40000111.3H235 E236H235-V238 HydrophobicContact CB-CB 4.42Å; H235-V238 HydrophobicContact CB-CG2 3.61Å; E236-V238 VanDerWaalsContact C-N 3.28Å; E236-V238 PolarHBondContact O-N 2.58Å; E236-V238 VanDerWaalsContact O-N 3.13Å
239C89.5Confident89.9Confident2 Ų268.7 Ų68.71%0.01438%0.384CS..THydrogen-bonded Turntrans-88.7-6.7179.1-56.90000113.9C206 N237 N241 T245 M248C206-C239 WeakPolarHBondContact CA-SG 3.19Å; C206-C239 HydrophobicContact CB-CB 3.82Å; C206-C239 WeakPolarHBondContact CB-SG 3.45Å; C206-C239 WeakPolarHBondContact SG-CB 3.48Å; C206-C239 CovalentContact SG-SG 2.03Å; C206-C239 PolarHBondContact SG-SG 3.04Å; N237-C239 PolarHBondContact O-N 2.95Å; N237-C239 VanDerWaalsContact O-N 3.16Å; C239-N241 PolarHBondContact O-N 3.37Å; C239-N241 VanDerWaalsContact O-N 3.15Å; C239-T245 CarbonylContact C-O 3.58Å; C239-T245 WeakPolarHBondContact CB-O 3.22Å; C239-T245 CarbonylContact O-C 3.55Å; C239-T245 WeakPolarHBondContact O-CB 3.41Å; C239-T245 PolarHBondContact O-OG1 2.81Å; C239-M248 HydrophobicContact CB-CB 3.8Å; C239-M248 WeakPolarHBondContact CB-O 3.4Å
240S87.2Confident90.3Very high37 Ų3767 Ų6726%0.25937%0.373SS..THydrogen-bonded Turntrans-79.74.3-169.8-64.10000115N237 S242N237-S240 PolarHBondContact O-N 3.07Å; S240-S242 PolarHBondContact O-N 2.98Å
241N87.7Confident90.7Very high153 Ų15363.1 Ų63.182%0.81835%0.353SS*.THydrogen-bonded Turntrans-73.3-10.9-178.6-62.6-31.9000114.2C239C239-N241 PolarHBondContact O-N 3.37Å; C239-N241 VanDerWaalsContact O-N 3.15Å
242S87.5Confident90.9Very high43 Ų4360.5 Ų60.530%0.30133%0.331SS..SBendtrans-136.5143.6-177.8-1800000111.4S240 N244 T245 I246S240-S242 PolarHBondContact O-N 2.98Å; S242-N244 PolarHBondContact O-N 3.05Å; S242-N244 PolarHBondContact OG-N 3.14Å; S242-T245 PolarHBondContact O-N 2.63Å; S242-I246 PolarHBondContact O-N 3.46Å
243P84.9Confident91.1Very high95 Ų9559.5 Ų59.562%0.61733%0.325SS*.THydrogen-bonded Turntrans-59.9-17.9172.425.8-36000113.4
244N88.7Confident91.2Very high90 Ų9057 Ų5748%0.48131%0.313SS..THydrogen-bonded Turntrans-86-8.8178.1-67.7-31.5000114W99 S242 M248W99-N244 VanDerWaalsContact CB-O 3.25Å; W99-N244 WeakPolarHBondContact CB-O 3.29Å; W99-N244 VanDerWaalsContact CG-O 3.27Å; S242-N244 PolarHBondContact O-N 3.05Å; S242-N244 PolarHBondContact OG-N 3.14Å; N244-M248 WeakPolarHBondContact O-CE 3.2Å
245T90.8Very high91.3Very high40 Ų4054.7 Ų54.725%0.24530%0.301CS..THydrogen-bonded Turntrans-135.73.6-177.353.60000113C206 C239 S242 M248C206-T245 HydrophobicContact CB-CG2 4.47Å; C239-T245 CarbonylContact C-O 3.58Å; C239-T245 WeakPolarHBondContact CB-O 3.22Å; C239-T245 CarbonylContact O-C 3.55Å; C239-T245 WeakPolarHBondContact O-CB 3.41Å; C239-T245 PolarHBondContact O-OG1 2.81Å; S242-T245 PolarHBondContact O-N 2.63Å; T245-M248 HydrophobicContact CG2-SD 4.09Å; T245-M248 WeakPolarHBondContact O-CB 3.25Å; T245-M248 WeakPolarHBondContact O-CG 3.44Å; T245-M248 PolarHBondContact O-N 3.49Å; T245-M248 VanDerWaalsContact O-N 3.07Å
246I90.3Very high91.3Very high72 Ų7254.2 Ų54.237%0.36930%0.299SS..THydrogen-bonded Turntrans-54.7138.3176.7-165.1165.5000111.3W99 S242 M248W99-I246 VanDerWaalsContact CE2-O 3.24Å; W99-I246 WeakPolarHBondContact CZ2-O 3.31Å; W99-I246 PolarHBondContact NE1-O 2.83Å; S242-I246 PolarHBondContact O-N 3.46Å; I246-M248 PolarHBondContact O-N 2.79Å; I246-M248 VanDerWaalsContact O-N 3.1Å
247D90.4Very high91.5Very high87 Ų8747.9 Ų47.947%0.46527%0.269SS..THydrogen-bonded Turntrans61.98.1-176.2-43.8-36.5000115.5R102R102-D247 IonicContact CZ-OD2 3.77Å; R102-D247 IonicContact NH2-OD2 2.7Å; R102-D247 PolarHBondContact NH2-OD2 2.83Å
248M94.8Very high91.9Very high9 Ų943.5 Ų43.54%0.04425%0.245CC..  trans-77.4157.4165.7-62.7-172-176.600110.3I33 W99 A122 C206 G207 H208 C239 N244 T245 I246I33-M248 HydrophobicContact CD1-CE 4.38Å; W99-M248 HydrophobicContact CB-CE 4Å; W99-M248 HydrophobicContact CD2-CE 3.26Å; W99-M248 HydrophobicContact CE3-CE 3.49Å; W99-M248 VanDerWaalsContact CE3-CE 3.49Å; W99-M248 HydrophobicContact CG-CE 3.5Å; W99-M248 HydrophobicContact CH2-CE 4.48Å; W99-M248 HydrophobicContact CH2-CG 4.38Å; W99-M248 HydrophobicContact CZ2-CE 4.3Å; W99-M248 HydrophobicContact CZ2-CG 4Å; W99-M248 HydrophobicContact CZ3-CE 4.1Å; A122-M248 HydrophobicContact CB-CE 3.42Å; A122-M248 VanDerWaalsContact CB-CE 3.42Å; A122-M248 HydrophobicContact CB-SD 4.2Å; C206-M248 HydrophobicContact CB-CB 4.08Å; C206-M248 HydrophobicContact CB-SD 4Å; G207-M248 WeakPolarHBondContact O-CA 3.38Å; G207-M248 WeakPolarHBondContact O-CB 3.4Å; H208-M248 HydrophobicContact CB-CG 4.35Å; C239-M248 HydrophobicContact CB-CB 3.8Å; C239-M248 WeakPolarHBondContact CB-O 3.4Å; N244-M248 WeakPolarHBondContact O-CE 3.2Å; T245-M248 HydrophobicContact CG2-SD 4.09Å; T245-M248 WeakPolarHBondContact O-CB 3.25Å; T245-M248 WeakPolarHBondContact O-CG 3.44Å; T245-M248 PolarHBondContact O-N 3.49Å; T245-M248 VanDerWaalsContact O-N 3.07Å; I246-M248 PolarHBondContact O-N 2.79Å; I246-M248 VanDerWaalsContact O-N 3.1Å
249T95.1Very high91.9Very high23 Ų2340.4 Ų40.414%0.14123%0.227CC..BIsolated β-bridgetrans-123.9154.3178.2530000110G207 I234 E236G207-T249 PolarHBondContact N-O 2.86Å; G207-T249 VanDerWaalsContact N-O 3.08Å; G207-T249 PolarHBondContact O-N 3.26Å; I234-T249 HydrophobicContact CG2-CG2 4Å; E236-T249 HydrophobicContact CG-CG2 4.25Å
250T95.9Very high91.9Very high21 Ų2145.3 Ų45.313%0.12926%0.261CS..EExtended strand (participates in β ladder)trans-107.7146.2161.462.90000108.9T204 I234 H235T204-T250 WeakPolarHBondContact O-CB 3.43Å; T204-T250 WeakPolarHBondContact O-CG2 3.41Å; I234-T250 WeakPolarHBondContact CA-O 3.49Å; H235-T250 WeakPolarHBondContact CB-OG1 3.39Å; H235-T250 PolarHBondContact N-O 2.7Å; H235-T250 PolarHBondContact O-N 3.03Å
251T96Very high91.9Very high2 Ų249.9 Ų49.91%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-117.7130.9175.6-57.20000108.6A203 T204 A211 I213 N232 I233A203-T251 CarbonylContact C-O 3.59Å; A203-T251 WeakPolarHBondContact CA-O 3.38Å; T204-T251 PolarHBondContact N-O 3.08Å; T204-T251 PolarHBondContact OG1-N 3.38Å; A211-T251 WeakPolarHBondContact O-CG2 3.32Å; A211-T251 PolarHBondContact O-OG1 3.04Å; I213-T251 HydrophobicContact CD1-CG2 3.99Å; I213-T251 HydrophobicContact CG1-CG2 4.13Å; N232-T251 HydrophobicContact CB-CG2 3.86Å; I233-T251 CarbonylContact O-C 3.59Å; I233-T251 WeakPolarHBondContact O-CA 3.31Å
252E95.8Very high91.9Very high57 Ų5743.6 Ų43.627%0.26625%0.245SC..EExtended strand (participates in β ladder)trans-118.2139.3173.2-170.8-174.1128.900110.1T201 C202 A203 N232 I233 N254T201-E252 HydrophobicContact CG2-CG 3.74Å; C202-E252 CarbonylContact O-C 3.59Å; C202-E252 WeakPolarHBondContact O-CA 3.45Å; A203-E252 HydrophobicContact CB-CG 4.46Å; N232-E252 CarbonylContact C-O 3.56Å; N232-E252 WeakPolarHBondContact CA-O 3.48Å; I233-E252 HydrophobicContact CB-CB 4.43Å; I233-E252 PolarHBondContact N-O 2.88Å; I233-E252 PolarHBondContact O-N 3.13Å; E252-N254 PolarHBondContact OE1-ND2 2.97Å
253S96.6Very high91.9Very high0 Ų047.8 Ų47.80%026%0.264CS..EExtended strand (participates in β ladder)trans-134.9135.1175.6-1660000110C202 W215 P228 N232C202-S253 PolarHBondContact N-O 3.31Å; C202-S253 PolarHBondContact O-N 2.76Å; W215-S253 PolarHBondContact NE1-OG 3.13Å; P228-S253 WeakPolarHBondContact CB-OG 3.42Å; N232-S253 WeakPolarHBondContact OD1-CB 3.39Å; N232-S253 PolarHBondContact OD1-OG 3.44Å
254N95.8Very high92.1Very high12 Ų1243.5 Ų43.56%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-115.3134.8-179.3-74.3-67.3000109.9Q199 L200 T201 T229 E252Q199-N254 PolarHBondContact NE2-OD1 2.94Å; Q199-N254 VanDerWaalsContact NE2-OD1 3.16Å; L200-N254 CarbonylContact O-C 3.6Å; L200-N254 WeakPolarHBondContact O-CA 3.34Å; T201-N254 WeakPolarHBondContact CB-OD1 3.19Å; T201-N254 WeakPolarHBondContact CG2-OD1 3.21Å; T201-N254 PolarHBondContact OG1-OD1 3.1Å; T229-N254 WeakPolarHBondContact CB-O 3.39Å; T229-N254 PolarHBondContact N-O 3.25Å; E252-N254 PolarHBondContact OE1-ND2 2.97Å
255L95.4Very high92.2Very high3 Ų343.8 Ų43.82%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-130.3122.5178.717766.6000110.5Q199 L200 W215 I226 V257 V270Q199-L255 WeakPolarHBondContact CA-O 3.43Å; L200-L255 HydrophobicContact CB-CB 4.49Å; L200-L255 PolarHBondContact N-O 3.1Å; L200-L255 PolarHBondContact O-N 2.79Å; W215-L255 HydrophobicContact CB-CD2 4.05Å; W215-L255 HydrophobicContact CD2-CB 3.94Å; W215-L255 HydrophobicContact CD2-CD2 3.7Å; W215-L255 HydrophobicContact CD2-CG 4.41Å; W215-L255 HydrophobicContact CE3-CB 4.29Å; W215-L255 HydrophobicContact CE3-CD2 3.58Å; W215-L255 HydrophobicContact CG-CB 4.36Å; W215-L255 HydrophobicContact CG-CD2 3.93Å; W215-L255 HydrophobicContact CH2-CB 4.3Å; W215-L255 HydrophobicContact CZ2-CB 3.99Å; W215-L255 HydrophobicContact CZ3-CB 4.45Å; W215-L255 HydrophobicContact CZ3-CD2 4.18Å; I226-L255 HydrophobicContact CB-CD1 4.45Å; I226-L255 HydrophobicContact CD1-CD2 4.45Å; I226-L255 HydrophobicContact CG2-CD1 3.56Å; L255-V257 HydrophobicContact CD2-CG2 3.99Å; L255-V257 HydrophobicContact CG-CG2 3.97Å; L255-V270 HydrophobicContact CD2-CG1 3.91Å
256H93.7Very high92.2Very high58 Ų5842.1 Ų42.127%0.26923%0.227SC..EExtended strand (participates in β ladder)trans-87129.1169.7-66.3169.6000109.2L134 Q199 T229L134-H256 HydrophobicContact CD1-CB 3.78Å; Q199-H256 PolarHBondContact OE1-NE2 2.81Å; T229-H256 WeakPolarHBondContact CG2-ND1 3.13Å; T229-H256 WeakPolarHBondContact OG1-CB 3.1Å; T229-H256 PolarHBondContact OG1-N 3.47Å
257V92.9Very high92.3Very high0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-119.4108.1-177.1179.30000107.9L192 G197 I198 L200 L255 L262 I290L192-V257 HydrophobicContact CD1-CG1 3.98Å; G197-V257 CarbonylContact C-O 3.04Å; G197-V257 WeakPolarHBondContact CA-O 3.41Å; I198-V257 HydrophobicContact CD1-CB 4.49Å; I198-V257 HydrophobicContact CG1-CB 3.74Å; I198-V257 HydrophobicContact CG1-CG1 4.32Å; I198-V257 HydrophobicContact CG1-CG2 4.3Å; I198-V257 PolarHBondContact N-O 3.06Å; I198-V257 PolarHBondContact O-N 2.95Å; L200-V257 HydrophobicContact CD1-CG2 3.81Å; L200-V257 HydrophobicContact CG-CG2 4.19Å; L255-V257 HydrophobicContact CD2-CG2 3.99Å; L255-V257 HydrophobicContact CG-CG2 3.97Å; V257-L262 HydrophobicContact CB-CD1 4.43Å; V257-L262 HydrophobicContact CG1-CD1 4.05Å; V257-I290 HydrophobicContact CG1-CD1 3.41Å; V257-I290 VanDerWaalsContact CG1-CD1 3.41Å
258H91.1Very high92.5Very high24 Ų2438.3 Ų38.311%0.11121%0.207CC..  trans-119.7127.5164.9-76.5-85.5000108.5G197 S260 Q261 L262G197-H258 VanDerWaalsContact CA-CE1 3.47Å; G197-H258 WeakPolarHBondContact CA-CE1 3.45Å; H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 2.99Å; H258-Q261 HydrophobicContact CB-CB 3.94Å; H258-Q261 HydrophobicContact CB-CG 3.79Å; H258-Q261 PolarHBondContact CD2-OE1 3.2Å; H258-Q261 PolarHBondContact O-N 2.65Å; H258-L262 PolarHBondContact O-N 2.79Å
259C90.3Very high92.5Very high20 Ų2040 Ų4014%0.13521%0.214CC..Hα-helixtrans-56.5-42.6-177.6-62.50000112.6L192 D263 I264 C292L192-C259 VanDerWaalsContact CB-SG 3.55Å; C259-D263 PolarHBondContact O-N 3.06Å; C259-D263 VanDerWaalsContact O-N 3.12Å; C259-I264 HydrophobicContact CB-CG1 4.44Å; C259-I264 PolarHBondContact O-N 3.13Å; C259-I264 VanDerWaalsContact O-N 3.13Å; C259-C292 HydrophobicContact CB-CB 3.6Å; C259-C292 WeakPolarHBondContact CB-SG 3.19Å; C259-C292 WeakPolarHBondContact SG-CA 3.31Å; C259-C292 WeakPolarHBondContact SG-CB 3.41Å; C259-C292 CovalentContact SG-SG 2.03Å; C259-C292 PolarHBondContact SG-SG 2.94Å
260S88.3Confident92.6Very high105 Ų10538.9 Ų38.973%0.73421%0.208SC*.Hα-helixtrans-68.9-38.3179.452.40000113.4H258H258-S260 VanDerWaalsContact C-N 3.28Å; H258-S260 PolarHBondContact O-N 2.99Å
261Q87.8Confident92.6Very high133 Ų13339 Ų3962%0.62121%0.207SC*.Hα-helixtrans-72.7-33.9-179.7-65.8178.3-13.900112.3H258H258-Q261 HydrophobicContact CB-CB 3.94Å; H258-Q261 HydrophobicContact CB-CG 3.79Å; H258-Q261 PolarHBondContact CD2-OE1 3.2Å; H258-Q261 PolarHBondContact O-N 2.65Å
262L88.2Confident92.6Very high22 Ų2238.9 Ų38.912%0.11521%0.206CC..Hα-helixtrans-87.8-7.3179.9-66.4176.7000113.3K224 I226 V257 H258 I264K224-L262 PolarHBondContact NZ-O 3.04Å; I226-L262 HydrophobicContact CD1-CD1 3.95Å; I226-L262 HydrophobicContact CD1-CD2 4.25Å; I226-L262 HydrophobicContact CG1-CD2 4.32Å; I226-L262 HydrophobicContact CG2-CD2 3.77Å; V257-L262 HydrophobicContact CB-CD1 4.43Å; V257-L262 HydrophobicContact CG1-CD1 4.05Å; H258-L262 PolarHBondContact O-N 2.79Å; L262-I264 HydrophobicContact CB-CD1 4.01Å; L262-I264 HydrophobicContact CB-CG1 3.95Å; L262-I264 HydrophobicContact CB-CG2 4.21Å; L262-I264 HydrophobicContact CD1-CD1 4.1Å
263D87.3Confident92.5Very high131 Ų13136.4 Ų36.470%0.70120%0.195SC*.THydrogen-bonded Turntrans52.552.9-174.6-168.733.7000111.6C259C259-D263 PolarHBondContact O-N 3.06Å; C259-D263 VanDerWaalsContact O-N 3.12Å
264I89.8Confident92.5Very high5 Ų536.5 Ų36.53%0.02620%0.195CC..  trans-120.8139.2-178.656.4176.1000110.4V217 C259 L262 I290 C292V217-I264 HydrophobicContact CG1-CG2 4.2Å; V217-I264 HydrophobicContact CG2-CD1 4.35Å; V217-I264 HydrophobicContact CG2-CG2 4.31Å; C259-I264 HydrophobicContact CB-CG1 4.44Å; C259-I264 PolarHBondContact O-N 3.13Å; C259-I264 VanDerWaalsContact O-N 3.13Å; L262-I264 HydrophobicContact CB-CD1 4.01Å; L262-I264 HydrophobicContact CB-CG1 3.95Å; L262-I264 HydrophobicContact CB-CG2 4.21Å; L262-I264 HydrophobicContact CD1-CD1 4.1Å; I264-I290 HydrophobicContact CD1-CD1 3.62Å; I264-C292 WeakPolarHBondContact O-CB 3.46Å
265I90.2Very high92.3Very high95 Ų9539 Ų3949%0.48721%0.209SC..  trans-129.3150.6-175.567.4167.1000109.2N268 G294I265-N268 PolarHBondContact O-ND2 2.74Å; I265-G294 CarbonylContact C-O 3.56Å; I265-G294 VanDerWaalsContact CB-O 3.25Å; I265-G294 WeakPolarHBondContact CB-O 3.43Å
266G90.9Very high92.1Very high5 Ų540.1 Ų40.15%0.05222%0.222CC..EExtended strand (participates in β ladder)trans72.6-153.1174.400000113.5N268 C292 G294G266-N268 PolarHBondContact O-ND2 3.31Å; G266-C292 WeakPolarHBondContact CA-O 3.45Å; G266-C292 PolarHBondContact N-O 2.8Å; G266-C292 PolarHBondContact O-N 2.91Å; G266-G294 VanDerWaalsContact CA-O 3.31Å; G266-G294 WeakPolarHBondContact CA-O 3.31Å; G266-G294 PolarHBondContact N-O 3.2Å
267L92.5Very high92Very high79 Ų7940.3 Ų40.341%0.41423%0.228SC..EExtended strand (participates in β ladder)trans-80.6121.8178.2-176.666.4000110.3R186 P189 Y289 L291R186-L267 HydrophobicContact CG-CD2 4.31Å; P189-L267 HydrophobicContact CB-CD1 3.8Å; P189-L267 HydrophobicContact CG-CD1 3.91Å; L267-Y289 HydrophobicContact CD1-CD1 4.48Å; L267-L291 HydrophobicContact CB-CD1 4.46Å
268N93.9Very high91.8Very high1 Ų140.9 Ų40.91%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-125.6141.7-178.6-65.9-93.7000110.6V217 M218 N219 I265 G266 Y289 I290V217-N268 HydrophobicContact CG2-CB 3.83Å; M218-N268 CarbonylContact O-C 3.57Å; M218-N268 WeakPolarHBondContact O-CA 3.42Å; N219-N268 WeakPolarHBondContact CB-OD1 3.43Å; I265-N268 PolarHBondContact O-ND2 2.74Å; G266-N268 PolarHBondContact O-ND2 3.31Å; N268-Y289 WeakPolarHBondContact O-CA 3Å; N268-I290 HydrophobicContact CB-CD1 4.28Å; N268-I290 HydrophobicContact CB-CG1 3.83Å; N268-I290 PolarHBondContact N-O 2.82Å; N268-I290 PolarHBondContact O-N 3.32Å
269Q95.7Very high91.8Very high44 Ų4440.6 Ų40.621%0.20623%0.228CC..EExtended strand (participates in β ladder)trans-99.3112.8171.6-178.7178.7-35.600109V217 M218 N287 Y289V217-Q269 CarbonylContact C-O 3.57Å; V217-Q269 WeakPolarHBondContact CA-O 2.95Å; M218-Q269 HydrophobicContact CB-CB 4.41Å; M218-Q269 HydrophobicContact CE-CB 4.44Å; M218-Q269 HydrophobicContact CE-CG 3.96Å; M218-Q269 PolarHBondContact N-O 2.84Å; M218-Q269 PolarHBondContact O-N 3.38Å; Q269-N287 HydrophobicContact CG-CB 4.03Å; Q269-N287 PolarHBondContact NE2-OD1 3.16Å; Q269-Y289 HydrophobicContact CB-CD1 3.99Å; Q269-Y289 HydrophobicContact CB-CE1 3.63Å; Q269-Y289 HydrophobicContact CG-CD1 4.41Å; Q269-Y289 HydrophobicContact CG-CE1 3.83Å; Q269-Y289 PolarHBondContact OE1-OH 2.82Å
270V96Very high91.5Very high0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-91.1119.4169.9-173.90000108.4L200 W215 L216 V217 L255 N287 V288 I290L200-V270 HydrophobicContact CD1-CB 4.08Å; L200-V270 HydrophobicContact CD1-CG1 3.65Å; L200-V270 HydrophobicContact CD1-CG2 4.49Å; W215-V270 HydrophobicContact CE3-CG1 3.89Å; W215-V270 HydrophobicContact CZ3-CG1 4.08Å; L216-V270 CarbonylContact O-C 3.54Å; L216-V270 WeakPolarHBondContact O-CA 3.5Å; V217-V270 HydrophobicContact CG2-CG2 4.33Å; L255-V270 HydrophobicContact CD2-CG1 3.91Å; V270-N287 CarbonylContact O-C 3.45Å; V270-N287 WeakPolarHBondContact O-CA 3.21Å; V270-V288 PolarHBondContact N-O 2.89Å; V270-V288 PolarHBondContact O-N 2.96Å; V270-I290 HydrophobicContact CG2-CD1 3.64Å; V270-I290 HydrophobicContact CG2-CG1 4.15Å; V270-I290 HydrophobicContact CG2-CG2 4.44Å
271Q96Very high91.2Very high23 Ų2350.5 Ų50.511%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-110.7128.4-179.5177.9173.9103.400110.3W215 L216 M218 T285 R286 N287W215-Q271 WeakPolarHBondContact CA-O 3.29Å; L216-Q271 HydrophobicContact CB-CB 4.38Å; L216-Q271 PolarHBondContact N-O 2.92Å; L216-Q271 PolarHBondContact O-N 2.85Å; M218-Q271 HydrophobicContact CE-CB 3.49Å; M218-Q271 VanDerWaalsContact CE-CB 3.49Å; M218-Q271 HydrophobicContact CE-CG 4.28Å; Q271-T285 HydrophobicContact CG-CG2 4.21Å; Q271-R286 CarbonylContact C-O 3.36Å; Q271-R286 WeakPolarHBondContact CA-O 3.29Å; Q271-N287 VanDerWaalsContact CB-OD1 3.26Å; Q271-N287 WeakPolarHBondContact CB-OD1 3.47Å; Q271-N287 VanDerWaalsContact CG-OD1 3.25Å; Q271-N287 WeakPolarHBondContact CG-OD1 3.38Å; Q271-N287 PolarHBondContact NE2-OD1 2.01Å
272C96.1Very high91.1Very high0 Ų048.2 Ų48.20%026%0.259CS..EExtended strand (participates in β ladder)trans-95.9130.9159.2171.20000108.6M129 C202 I213 W215 T285 R286M129-C272 HydrophobicContact CE-CB 3.54Å; C202-C272 HydrophobicContact CB-CB 3.72Å; C202-C272 WeakPolarHBondContact CB-SG 3.44Å; C202-C272 WeakPolarHBondContact SG-CB 3.25Å; C202-C272 CovalentContact SG-SG 2.03Å; C202-C272 PolarHBondContact SG-SG 3.33Å; I213-C272 WeakPolarHBondContact CG2-SG 3.37Å; W215-C272 HydrophobicContact CD2-CB 4.31Å; W215-C272 HydrophobicContact CE3-CB 3.88Å; W215-C272 HydrophobicContact CH2-CB 3.93Å; W215-C272 HydrophobicContact CZ2-CB 4.31Å; W215-C272 HydrophobicContact CZ3-CB 3.69Å; C272-T285 CarbonylContact O-C 3.45Å; C272-T285 VanDerWaalsContact O-CA 3.25Å; C272-T285 WeakPolarHBondContact O-CA 3.4Å; C272-R286 PolarHBondContact N-O 2.83Å; C272-R286 PolarHBondContact O-N 2.95Å
273S95Very high90.9Very high5 Ų553 Ų534%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-126.5149.4174.158.30000111.4I213 T214 L284I213-S273 WeakPolarHBondContact CA-O 3.49Å; T214-S273 PolarHBondContact N-O 3.29Å; T214-S273 PolarHBondContact O-N 3.47Å; T214-S273 PolarHBondContact O-OG 2.92Å; T214-S273 PolarHBondContact OG1-OG 2.7Å; S273-L284 WeakPolarHBondContact CA-O 3.46Å
274V94.8Very high91.1Very high1 Ų148.9 Ų48.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-109.6128.2176.8178.20000109.9L126 T204 A211 N212 I213 Y279 L284L126-V274 HydrophobicContact CD1-CG2 3.87Å; L126-V274 HydrophobicContact CD2-CG2 3.35Å; L126-V274 HydrophobicContact CG-CG2 3.56Å; T204-V274 HydrophobicContact CG2-CG1 4.49Å; T204-V274 HydrophobicContact CG2-CG2 3.8Å; A211-V274 HydrophobicContact CB-CG1 3.57Å; N212-V274 WeakPolarHBondContact O-CA 3.49Å; I213-V274 HydrophobicContact CG1-CG2 4.15Å; V274-Y279 HydrophobicContact CG1-CD2 4.03Å; V274-Y279 HydrophobicContact CG1-CE2 3.41Å; V274-Y279 VanDerWaalsContact CG1-CE2 3.41Å; V274-L284 HydrophobicContact CB-CB 4.31Å; V274-L284 PolarHBondContact N-O 3.1Å
275N92.2Very high91.3Very high64 Ų6450.7 Ų50.734%0.34227%0.273SS..EExtended strand (participates in β ladder)trans-117.7151.4179.2-59.6-41.1000110.9N212 T214N212-N275 PolarHBondContact N-O 2.8Å; N212-N275 PolarHBondContact O-N 2.81Å; T214-N275 PolarHBondContact OG1-ND2 3.03Å
276G91.1Very high91.6Very high28 Ų2851.5 Ų51.529%0.28927%0.27SS..SBendtrans164.1161-179.300000111.4Q278 Y279G276-Q278 VanDerWaalsContact C-OE1 3.22Å; G276-Q278 PolarHBondContact O-N 3.43Å; G276-Q278 VanDerWaalsContact O-N 3.15Å; G276-Y279 PolarHBondContact O-N 3.05Å
277P91.1Very high91.8Very high61 Ų6154.2 Ų54.240%0.39628%0.284SS..G310 helixtrans-63.5-20.2-177.829.7-38.8000113.4Y121 P209 Y279 K280Y121-P277 HydrophobicContact CE2-CB 3.91Å; Y121-P277 HydrophobicContact CE2-CG 3.84Å; P209-P277 HydrophobicContact CG-CG 3.47Å; P209-P277 VanDerWaalsContact CG-CG 3.47Å; P277-Y279 VanDerWaalsContact C-N 3.29Å; P277-K280 WeakPolarHBondContact O-CG 3.45Å
278Q90.5Very high91.9Very high13 Ų1351 Ų516%0.06127%0.267CS..G310 helixtrans-79.5-6.1175.573.3-83.137.200114.5L32 Y121 P123 P209 G276L32-Q278 HydrophobicContact CD2-CB 4.3Å; Y121-Q278 HydrophobicContact CD2-CB 3.59Å; Y121-Q278 HydrophobicContact CE2-CB 4.38Å; Y121-Q278 HydrophobicContact CG-CB 4.09Å; P123-Q278 HydrophobicContact CB-CG 4.34Å; P123-Q278 HydrophobicContact CG-CB 4.36Å; P123-Q278 HydrophobicContact CG-CG 4.34Å; P209-Q278 PolarHBondContact O-NE2 2.82Å; G276-Q278 VanDerWaalsContact C-OE1 3.22Å; G276-Q278 PolarHBondContact O-N 3.43Å; G276-Q278 VanDerWaalsContact O-N 3.15Å
279Y90.9Very high92Very high17 Ų1753 Ų537%0.06728%0.275CS..G310 helixtrans-114.218.4-176.7-54.4-68000113.1P123 A124 A211 V274 G276 P277 D281 T282 L284P123-Y279 HydrophobicContact CB-CD1 4.28Å; P123-Y279 HydrophobicContact CB-CE1 3.65Å; A124-Y279 WeakPolarHBondContact CA-OH 3.49Å; A124-Y279 WeakPolarHBondContact CB-OH 3.39Å; A124-Y279 PolarHBondContact N-OH 3.27Å; A124-Y279 PolarHBondContact O-OH 3.13Å; A211-Y279 HydrophobicContact CB-CE2 4.36Å; V274-Y279 HydrophobicContact CG1-CD2 4.03Å; V274-Y279 HydrophobicContact CG1-CE2 3.41Å; V274-Y279 VanDerWaalsContact CG1-CE2 3.41Å; G276-Y279 PolarHBondContact O-N 3.05Å; P277-Y279 VanDerWaalsContact C-N 3.29Å; Y279-D281 PolarHBondContact O-N 3.33Å; Y279-D281 VanDerWaalsContact O-N 3.1Å; Y279-T282 WeakPolarHBondContact CB-O 3.44Å; Y279-T282 CarbonylContact O-C 3.57Å; Y279-T282 PolarHBondContact O-N 3.23Å; Y279-T282 VanDerWaalsContact O-O 3.06Å; Y279-L284 HydrophobicContact CD1-CD1 3.67Å; Y279-L284 HydrophobicContact CD1-CG 4.24Å; Y279-L284 HydrophobicContact CE1-CD1 3.26Å; Y279-L284 HydrophobicContact CE1-CG 4.29Å
280K83.6Confident91.9Very high176 Ų17651 Ų5177%0.76527%0.265SS*.THydrogen-bonded Turntrans-50.7-38.6-176.4-76.7178-178.3-178.10113.7P277P277-K280 WeakPolarHBondContact O-CG 3.45Å
281D82.1Confident91.7Very high157 Ų15752.4 Ų52.484%0.8427%0.273SS*.THydrogen-bonded Turntrans-105.26.6-177.1-53.8-43.5000113.2Y279Y279-D281 PolarHBondContact O-N 3.33Å; Y279-D281 VanDerWaalsContact O-N 3.1Å
282T84.6Confident91.5Very high86 Ų8651.3 Ų51.353%0.52827%0.268SS..  trans-146115.2-174.4-57.50000111.6Y279 L284Y279-T282 WeakPolarHBondContact CB-O 3.44Å; Y279-T282 CarbonylContact O-C 3.57Å; Y279-T282 PolarHBondContact O-N 3.23Å; Y279-T282 VanDerWaalsContact O-O 3.06Å; T282-L284 HydrophobicContact CG2-CD2 4.39Å; T282-L284 HydrophobicContact CG2-CG 4.49Å; T282-L284 PolarHBondContact O-N 2.83Å
283L84.9Confident91.1Very high121 Ų12154 Ų5463%0.63429%0.29SS*.  trans-86.9104.9174.2-168.277.1000110.4T285L283-T285 HydrophobicContact CD1-CG2 4.48Å; L283-T285 HydrophobicContact CD2-CG2 3.57Å; L283-T285 HydrophobicContact CG-CG2 3.6Å; L283-T285 PolarHBondContact O-N 3.46Å
284L91Very high90.3Very high46 Ų4655.9 Ų55.924%0.24131%0.31CS..EExtended strand (participates in β ladder)trans-83.3113.9172.2-70.1176.5000109.8A124 L126 S273 V274 Y279 T282A124-L284 WeakPolarHBondContact O-CD1 3.46Å; L126-L284 HydrophobicContact CD1-CB 4.05Å; L126-L284 WeakPolarHBondContact CD1-O 3.27Å; L126-L284 HydrophobicContact CG-CB 4.46Å; S273-L284 WeakPolarHBondContact CA-O 3.46Å; V274-L284 HydrophobicContact CB-CB 4.31Å; V274-L284 PolarHBondContact N-O 3.1Å; Y279-L284 HydrophobicContact CD1-CD1 3.67Å; Y279-L284 HydrophobicContact CD1-CG 4.24Å; Y279-L284 HydrophobicContact CE1-CD1 3.26Å; Y279-L284 HydrophobicContact CE1-CG 4.29Å; T282-L284 HydrophobicContact CG2-CD2 4.39Å; T282-L284 HydrophobicContact CG2-CG 4.49Å; T282-L284 PolarHBondContact O-N 2.83Å
285T94.7Very high89.2Confident43 Ų4358.4 Ų58.426%0.26434%0.337SS..EExtended strand (participates in β ladder)trans-131152.617866.50000112.8Q271 C272 L283Q271-T285 HydrophobicContact CG-CG2 4.21Å; C272-T285 CarbonylContact O-C 3.45Å; C272-T285 VanDerWaalsContact O-CA 3.25Å; C272-T285 WeakPolarHBondContact O-CA 3.4Å; L283-T285 HydrophobicContact CD1-CG2 4.48Å; L283-T285 HydrophobicContact CD2-CG2 3.57Å; L283-T285 HydrophobicContact CG-CG2 3.6Å; L283-T285 PolarHBondContact O-N 3.46Å
286R95.5Very high87.8Confident111 Ų11160.2 Ų60.242%0.41934%0.343SS..EExtended strand (participates in β ladder)trans-130.4138.3167.4-70.6-65-169.5-167.6-5108.5L126 E127 M129 Q271 C272L126-R286 HydrophobicContact CB-CG 3.81Å; L126-R286 HydrophobicContact CD1-CB 4.43Å; L126-R286 HydrophobicContact CD1-CG 3.81Å; L126-R286 HydrophobicContact CG-CG 4.33Å; L126-R286 PolarHBondContact O-NH2 2.85Å; E127-R286 PolarHBondContact O-NE 2.98Å; M129-R286 HydrophobicContact CE-CB 3.98Å; Q271-R286 CarbonylContact C-O 3.36Å; Q271-R286 WeakPolarHBondContact CA-O 3.29Å; C272-R286 PolarHBondContact N-O 2.83Å; C272-R286 PolarHBondContact O-N 2.95Å
287N95.1Very high86.1Confident63 Ų6368 Ų6834%0.33736%0.364SS..EExtended strand (participates in β ladder)trans-123.4141.5-176.1-54.7-62.4000110Q269 V270 Q271Q269-N287 HydrophobicContact CG-CB 4.03Å; Q269-N287 PolarHBondContact NE2-OD1 3.16Å; V270-N287 CarbonylContact O-C 3.45Å; V270-N287 WeakPolarHBondContact O-CA 3.21Å; Q271-N287 VanDerWaalsContact CB-OD1 3.26Å; Q271-N287 WeakPolarHBondContact CB-OD1 3.47Å; Q271-N287 VanDerWaalsContact CG-OD1 3.25Å; Q271-N287 WeakPolarHBondContact CG-OD1 3.38Å; Q271-N287 PolarHBondContact NE2-OD1 2.01Å
288V95.2Very high84.3Confident11 Ų1169.2 Ų69.27%0.06737%0.372CS..EExtended strand (participates in β ladder)trans-129.6142.5168164.70000107.7M129 G184 Y190 L200 V270 I290M129-V288 HydrophobicContact CB-CG2 4.14Å; M129-V288 HydrophobicContact CE-CG2 4.41Å; M129-V288 HydrophobicContact CG-CG2 4.18Å; M129-V288 HydrophobicContact SD-CB 3.9Å; M129-V288 HydrophobicContact SD-CG2 3.37Å; M129-V288 WeakPolarHBondContact SD-CG2 3.16Å; G184-V288 WeakPolarHBondContact O-CA 3.49Å; Y190-V288 HydrophobicContact CD2-CG1 3.51Å; Y190-V288 HydrophobicContact CE2-CG1 3.51Å; L200-V288 HydrophobicContact CD2-CG1 4.34Å; V270-V288 PolarHBondContact N-O 2.89Å; V270-V288 PolarHBondContact O-N 2.96Å; V288-I290 HydrophobicContact CG1-CG2 4.41Å
289Y95.1Very high82.3Confident44 Ų4477.4 Ų77.417%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-104.9135178-65.6-94.8000110.6G184 T185 R186 P189 Y190 L267 N268 Q269G184-Y289 PolarHBondContact O-N 2.86Å; T185-Y289 WeakPolarHBondContact O-CB 3.42Å; R186-Y289 HydrophobicContact CB-CD1 4.09Å; R186-Y289 HydrophobicContact CB-CD2 4.01Å; R186-Y289 HydrophobicContact CB-CE1 3.96Å; R186-Y289 HydrophobicContact CB-CE2 3.87Å; R186-Y289 HydrophobicContact CB-CG 4.11Å; R186-Y289 HydrophobicContact CG-CD1 4.12Å; R186-Y289 HydrophobicContact CG-CE1 3.89Å; P189-Y289 WeakPolarHBondContact CA-O 3.11Å; P189-Y289 WeakPolarHBondContact CB-O 3.2Å; Y190-Y289 PolarHBondContact N-O 2.86Å; L267-Y289 HydrophobicContact CD1-CD1 4.48Å; N268-Y289 WeakPolarHBondContact O-CA 3Å; Q269-Y289 HydrophobicContact CB-CD1 3.99Å; Q269-Y289 HydrophobicContact CB-CE1 3.63Å; Q269-Y289 HydrophobicContact CG-CD1 4.41Å; Q269-Y289 HydrophobicContact CG-CE1 3.83Å; Q269-Y289 PolarHBondContact OE1-OH 2.82Å
290I93.9Very high80.3Confident0 Ų083.9 Ų83.90%044%0.442CS..EExtended strand (participates in β ladder)trans-124.9147.3177.864.8-179000109.3Y190 L192 I198 V257 I264 N268 V270 V288Y190-I290 WeakPolarHBondContact O-CA 3.34Å; L192-I290 HydrophobicContact CD1-CB 4.01Å; L192-I290 HydrophobicContact CD1-CD1 4.3Å; L192-I290 HydrophobicContact CD1-CG2 4.14Å; L192-I290 HydrophobicContact CG-CB 4.48Å; I198-I290 HydrophobicContact CD1-CG2 3.7Å; V257-I290 HydrophobicContact CG1-CD1 3.41Å; V257-I290 VanDerWaalsContact CG1-CD1 3.41Å; I264-I290 HydrophobicContact CD1-CD1 3.62Å; N268-I290 HydrophobicContact CB-CD1 4.28Å; N268-I290 HydrophobicContact CB-CG1 3.83Å; N268-I290 PolarHBondContact N-O 2.82Å; N268-I290 PolarHBondContact O-N 3.32Å; V270-I290 HydrophobicContact CG2-CD1 3.64Å; V270-I290 HydrophobicContact CG2-CG1 4.15Å; V270-I290 HydrophobicContact CG2-CG2 4.44Å; V288-I290 HydrophobicContact CG1-CG2 4.41Å
291L92.3Very high78.9Confident30 Ų3078.8 Ų78.816%0.15742%0.423CS..EExtended strand (participates in β ladder)trans-113.5118.4175.7-177.165.1000109.4P189 Y190 L192 R193 L267P189-L291 HydrophobicContact CB-CB 4.31Å; P189-L291 HydrophobicContact CG-CB 3.91Å; Y190-L291 PolarHBondContact O-N 2.91Å; L192-L291 PolarHBondContact N-O 3.43Å; R193-L291 HydrophobicContact CG-CG 4.34Å; L267-L291 HydrophobicContact CB-CD1 4.46Å
292C91.3Very high78Confident0 Ų075.2 Ų75.20%041%0.407CS..EExtended strand (participates in β ladder)trans-107.2156177.5-69.20000111C259 I264 G266C259-C292 HydrophobicContact CB-CB 3.6Å; C259-C292 WeakPolarHBondContact CB-SG 3.19Å; C259-C292 WeakPolarHBondContact SG-CA 3.31Å; C259-C292 WeakPolarHBondContact SG-CB 3.41Å; C259-C292 CovalentContact SG-SG 2.03Å; C259-C292 PolarHBondContact SG-SG 2.94Å; I264-C292 WeakPolarHBondContact O-CB 3.46Å; G266-C292 WeakPolarHBondContact CA-O 3.45Å; G266-C292 PolarHBondContact N-O 2.8Å; G266-C292 PolarHBondContact O-N 2.91Å
293A88.4Confident77.3Confident56 Ų5676 Ų7646%0.46342%0.417SS..SBendtrans-70.3148.917800000111.6R193R193-A293 HydrophobicContact CB-CB 4.35Å; R193-A293 HydrophobicContact CG-CB 4.27Å
294G79Confident76.8Confident46 Ų4672.6 Ų72.647%0.47441%0.41SS..SBendtrans76.9139.5-173.100000111.3I265 G266I265-G294 CarbonylContact C-O 3.56Å; I265-G294 VanDerWaalsContact CB-O 3.25Å; I265-G294 WeakPolarHBondContact CB-O 3.43Å; G266-G294 VanDerWaalsContact CA-O 3.31Å; G266-G294 WeakPolarHBondContact CA-O 3.31Å; G266-G294 PolarHBondContact N-O 3.2Å
295G71.5Confident76Confident54 Ų5475.5 Ų75.556%0.55742%0.422SS*.  trans90.9-4-178.800000115.5R297G295-R297 PolarHBondContact O-N 2.98Å
296E63.1Low75.2Confident101 Ų10177.2 Ų77.247%0.47243%0.433SS..  trans-57.7108.6152.2-68.4175.7-164.900106R193 P298R193-E296 WeakPolarHBondContact CD-OE1 3.28Å; R193-E296 IonicContact CZ-OE1 3.85Å; R193-E296 IonicContact NE-OE1 3.89Å; R193-E296 IonicContact NH1-OE1 2.85Å; R193-E296 PolarHBondContact NH1-OE1 3.16Å; R193-E296 IonicContact NH1-OE2 3.36Å; E296-P298 VanDerWaalsContact O-CD 3.24Å; E296-P298 WeakPolarHBondContact O-CD 3.49Å
297R54.9Low74.4Confident193 Ų19376 Ų7673%0.72844%0.437SS*.  trans-55.2119.7155.5-69.6-173.3-177.8103.16.4102.9E220 G295 M299E220-R297 IonicContact OE1-NH1 2.71Å; E220-R297 IonicContact OE2-CZ 2.68Å; E220-R297 IonicContact OE2-NH1 3.6Å; E220-R297 PolarHBondContact OE2-NH1 2.9Å; E220-R297 IonicContact OE2-NH2 3.19Å; E220-R297 PolarHBondContact OE2-NH2 3.43Å; G295-R297 PolarHBondContact O-N 2.98Å; R297-M299 PolarHBondContact O-N 2.78Å
298P52.1Low73.6Confident86 Ų8674.9 Ų74.956%0.55844%0.441SS*.  trans-47.3130165.220.9-32.1000105.1E296 H300E296-P298 VanDerWaalsContact O-CD 3.24Å; E296-P298 WeakPolarHBondContact O-CD 3.49Å; P298-H300 VanDerWaalsContact CG-CD2 3.45Å; P298-H300 WeakPolarHBondContact CG-CD2 2.93Å; P298-H300 PolarHBondContact O-N 2.59Å
299M49.8Very low72.9Confident184 Ų18479.6 Ų79.691%0.90647%0.465SS*.  trans-63.171.4156.7-94.1-171.5174.300105.8R297 L301R297-M299 PolarHBondContact O-N 2.78Å; M299-L301 PolarHBondContact O-N 3.36Å
300H47.6Very low72.3Confident153 Ų15380 Ų8071%0.70848%0.477SS*.  trans-65.695.5145.3-80.6-62.7000102.4P298 T302P298-H300 VanDerWaalsContact CG-CD2 3.45Å; P298-H300 WeakPolarHBondContact CG-CD2 2.93Å; P298-H300 PolarHBondContact O-N 2.59Å; H300-T302 PolarHBondContact O-N 2.72Å
301L54.7Low71.9Confident70 Ų7083.5 Ų83.537%0.36650%0.498SS..  trans-40.5123.5146.1-7797.4000105.2M299 S303 E305 V306 I309M299-L301 PolarHBondContact O-N 3.36Å; L301-S303 PolarHBondContact O-N 3.2Å; L301-E305 WeakPolarHBondContact CA-OE2 3.43Å; L301-E305 HydrophobicContact CB-CB 3.93Å; L301-E305 HydrophobicContact CD2-CB 4.01Å; L301-E305 HydrophobicContact CG-CB 4.33Å; L301-V306 HydrophobicContact CB-CG2 3.35Å; L301-V306 HydrophobicContact CD2-CG2 4.41Å; L301-V306 HydrophobicContact CG-CG2 4.39Å; L301-I309 HydrophobicContact CD2-CD1 3.3Å; L301-I309 HydrophobicContact CD2-CG1 4.41Å
302T62.5Low71.5Confident82 Ų8284.1 Ų84.150%0.50351%0.512SS..  trans-52.5150.317658.90000107.4H300 G304 E305 V306H300-T302 PolarHBondContact O-N 2.72Å; T302-G304 CarbonylContact O-C 3.58Å; T302-G304 PolarHBondContact O-N 2.92Å; T302-E305 PolarHBondContact N-OE2 2.88Å; T302-E305 WeakPolarHBondContact O-CA 3.05Å; T302-E305 PolarHBondContact O-N 2.88Å; T302-E305 WeakPolarHBondContact OG1-CG 3.04Å; T302-E305 PolarHBondContact OG1-N 2.87Å; T302-E305 VanDerWaalsContact OG1-N 3.16Å; T302-E305 PolarHBondContact OG1-OE2 3.16Å; T302-V306 PolarHBondContact O-N 2.03Å
303S70.5Confident71.3Confident103 Ų10387.1 Ų87.172%0.7253%0.533SS*.Hα-helixtrans-49.3-32.7175.750.50000111.2L301 V307L301-S303 PolarHBondContact O-N 3.2Å; S303-V307 WeakPolarHBondContact O-CB 3.43Å; S303-V307 WeakPolarHBondContact O-CG2 3.41Å; S303-V307 PolarHBondContact O-N 2.8Å
304G74.5Confident71.3Confident48 Ų4886.5 Ų86.550%0.49553%0.528SS..Hα-helixtrans-63.7-40.8170.300000115.7T302 G308T302-G304 CarbonylContact O-C 3.58Å; T302-G304 PolarHBondContact O-N 2.92Å; G304-G308 WeakPolarHBondContact O-CA 3.24Å; G304-G308 PolarHBondContact O-N 2.76Å
305E73.7Confident71.7Confident108 Ų10889 Ų8951%0.50553%0.53SS..Hα-helixtrans-72.8-39.1175.1-74170.1142.600112.4L301 T302 G308 I309L301-E305 WeakPolarHBondContact CA-OE2 3.43Å; L301-E305 HydrophobicContact CB-CB 3.93Å; L301-E305 HydrophobicContact CD2-CB 4.01Å; L301-E305 HydrophobicContact CG-CB 4.33Å; T302-E305 PolarHBondContact N-OE2 2.88Å; T302-E305 WeakPolarHBondContact O-CA 3.05Å; T302-E305 PolarHBondContact O-N 2.88Å; T302-E305 WeakPolarHBondContact OG1-CG 3.04Å; T302-E305 PolarHBondContact OG1-N 2.87Å; T302-E305 VanDerWaalsContact OG1-N 3.16Å; T302-E305 PolarHBondContact OG1-OE2 3.16Å; E305-G308 PolarHBondContact O-N 3.09Å; E305-I309 WeakPolarHBondContact O-CG1 3.32Å; E305-I309 PolarHBondContact O-N 3.08Å
306V77.6Confident72.5Confident79 Ų7988.1 Ų88.148%0.47952%0.52SS..Hα-helixtrans-62.6-47.3173.9-178.70000110L301 T302 G308 I309 A310L301-V306 HydrophobicContact CB-CG2 3.35Å; L301-V306 HydrophobicContact CD2-CG2 4.41Å; L301-V306 HydrophobicContact CG-CG2 4.39Å; T302-V306 PolarHBondContact O-N 2.03Å; V306-G308 VanDerWaalsContact C-N 3.31Å; V306-G308 PolarHBondContact O-N 2.95Å; V306-I309 PolarHBondContact O-N 2.84Å; V306-A310 WeakPolarHBondContact O-CB 3.5Å; V306-A310 PolarHBondContact O-N 3.13Å
307V79.2Confident73.8Confident84 Ų8488.2 Ų88.251%0.50952%0.524SS..Hα-helixtrans-64.4-38.6175.5172.30000110.3S303 A310 V311S303-V307 WeakPolarHBondContact O-CB 3.43Å; S303-V307 WeakPolarHBondContact O-CG2 3.41Å; S303-V307 PolarHBondContact O-N 2.8Å; V307-A310 PolarHBondContact O-N 2.82Å; V307-V311 HydrophobicContact CG1-CG2 3.86Å; V307-V311 VanDerWaalsContact O-CB 3.25Å; V307-V311 WeakPolarHBondContact O-CB 3.46Å; V307-V311 WeakPolarHBondContact O-CG2 3.23Å; V307-V311 PolarHBondContact O-N 3.31Å
308G79.7Confident75.4Confident41 Ų4183.3 Ų83.342%0.42351%0.511SS..Hα-helixtrans-62.8-44.6176.900000112.9G304 E305 V306 G312G304-G308 WeakPolarHBondContact O-CA 3.24Å; G304-G308 PolarHBondContact O-N 2.76Å; E305-G308 PolarHBondContact O-N 3.09Å; V306-G308 VanDerWaalsContact C-N 3.31Å; V306-G308 PolarHBondContact O-N 2.95Å; G308-G312 WeakPolarHBondContact O-CA 3.45Å; G308-G312 PolarHBondContact O-N 2.93Å
309I80.2Confident77.1Confident109 Ų10984.9 Ų84.956%0.55951%0.514SS*.Hα-helixtrans-67.8-41.1174.3-66.6176.8000110.7L301 E305 V306 S313L301-I309 HydrophobicContact CD2-CD1 3.3Å; L301-I309 HydrophobicContact CD2-CG1 4.41Å; E305-I309 WeakPolarHBondContact O-CG1 3.32Å; E305-I309 PolarHBondContact O-N 3.08Å; V306-I309 PolarHBondContact O-N 2.84Å; I309-S313 WeakPolarHBondContact O-CB 3.25Å; I309-S313 PolarHBondContact O-N 3.46Å; I309-S313 PolarHBondContact O-OG 2.93Å
310A81.8Confident78.9Confident52 Ų5280.6 Ų80.643%0.4350%0.498SS..Hα-helixtrans-65.9-46.4178.400000112.2V306 V307 S313 A314V306-A310 WeakPolarHBondContact O-CB 3.5Å; V306-A310 PolarHBondContact O-N 3.13Å; V307-A310 PolarHBondContact O-N 2.82Å; A310-S313 PolarHBondContact O-OG 2.95Å; A310-A314 VanDerWaalsContact O-CB 3.24Å; A310-A314 WeakPolarHBondContact O-CB 3.34Å; A310-A314 PolarHBondContact O-N 2.93Å
311V86.5Confident80.9Confident75 Ų7579.9 Ų79.946%0.45549%0.493SS..Hα-helixtrans-70.2-42.5177.8174.50000110.5V307 S313 A314 L315V307-V311 HydrophobicContact CG1-CG2 3.86Å; V307-V311 VanDerWaalsContact O-CB 3.25Å; V307-V311 WeakPolarHBondContact O-CB 3.46Å; V307-V311 WeakPolarHBondContact O-CG2 3.23Å; V307-V311 PolarHBondContact O-N 3.31Å; V311-S313 PolarHBondContact O-N 2.87Å; V311-A314 PolarHBondContact O-N 3.07Å; V311-L315 HydrophobicContact CG1-CD1 3.77Å; V311-L315 HydrophobicContact CG1-CG 4.22Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.29Å; V311-L315 WeakPolarHBondContact O-CG 3.44Å; V311-L315 PolarHBondContact O-N 3.29Å
312G83.8Confident82.4Confident43 Ų4380.4 Ų80.444%0.44350%0.495SS..Hα-helixtrans-61.4-42.8176.400000112.5G308 G316G308-G312 WeakPolarHBondContact O-CA 3.45Å; G308-G312 PolarHBondContact O-N 2.93Å; G312-G316 PolarHBondContact O-N 3.01Å
313S86.7Confident83.4Confident63 Ų6377.9 Ų77.944%0.44149%0.486SS..Hα-helixtrans-69.6-40.517559.40000112.5I309 A310 V311 G316 L317I309-S313 WeakPolarHBondContact O-CB 3.25Å; I309-S313 PolarHBondContact O-N 3.46Å; I309-S313 PolarHBondContact O-OG 2.93Å; A310-S313 PolarHBondContact O-OG 2.95Å; V311-S313 PolarHBondContact O-N 2.87Å; S313-G316 PolarHBondContact O-N 3.49Å; S313-L317 WeakPolarHBondContact O-CB 3.37Å; S313-L317 WeakPolarHBondContact O-CG 3.3Å; S313-L317 PolarHBondContact O-N 3.28Å
314A88Confident84.1Confident43 Ų4376.5 Ų76.536%0.35548%0.475SS..Hα-helixtrans-63.2-45.8175.500000112.1A310 V311 L317 I318A310-A314 VanDerWaalsContact O-CB 3.24Å; A310-A314 WeakPolarHBondContact O-CB 3.34Å; A310-A314 PolarHBondContact O-N 2.93Å; V311-A314 PolarHBondContact O-N 3.07Å; A314-L317 PolarHBondContact O-N 2.8Å; A314-I318 WeakPolarHBondContact O-CB 3.17Å; A314-I318 VanDerWaalsContact O-CG1 3.22Å; A314-I318 WeakPolarHBondContact O-CG1 3.29Å; A314-I318 PolarHBondContact O-N 2.95Å
315L87.2Confident84.6Confident98 Ų9879.3 Ų79.351%0.51348%0.478SS..Hα-helixtrans-63.6-41.9175-72.7171.9000111.4V311 L317 I318 L319V311-L315 HydrophobicContact CG1-CD1 3.77Å; V311-L315 HydrophobicContact CG1-CG 4.22Å; V311-L315 WeakPolarHBondContact O-CB 3.33Å; V311-L315 VanDerWaalsContact O-CG 3.29Å; V311-L315 WeakPolarHBondContact O-CG 3.44Å; V311-L315 PolarHBondContact O-N 3.29Å; L315-L317 PolarHBondContact O-N 2.85Å; L315-I318 PolarHBondContact O-N 3.24Å; L315-L319 WeakPolarHBondContact O-CB 3.06Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.33Å; L315-L319 PolarHBondContact O-N 3.1Å
316G88.2Confident84.8Confident35 Ų3578.4 Ų78.436%0.36148%0.476SS..Hα-helixtrans-57.6-46.8173.700000112.1G312 S313 L319 V320G312-G316 PolarHBondContact O-N 3.01Å; S313-G316 PolarHBondContact O-N 3.49Å; G316-L319 PolarHBondContact O-N 3.28Å; G316-V320 VanDerWaalsContact O-CG2 3.28Å; G316-V320 WeakPolarHBondContact O-CG2 3.39Å; G316-V320 PolarHBondContact O-N 3.32Å
317L90Very high84.7Confident104 Ų10481.1 Ų81.155%0.54549%0.487SS..Hα-helixtrans-64.8-44.3176.3-73.3172.3000112.2S313 A314 L315 L319 V320 F321S313-L317 WeakPolarHBondContact O-CB 3.37Å; S313-L317 WeakPolarHBondContact O-CG 3.3Å; S313-L317 PolarHBondContact O-N 3.28Å; A314-L317 PolarHBondContact O-N 2.8Å; L315-L317 PolarHBondContact O-N 2.85Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-L319 PolarHBondContact O-N 2.7Å; L317-V320 WeakPolarHBondContact O-CB 3.5Å; L317-V320 PolarHBondContact O-N 2.95Å; L317-F321 VanDerWaalsContact O-CD2 3.24Å; L317-F321 WeakPolarHBondContact O-CD2 3.22Å; L317-F321 PolarHBondContact O-N 2.93Å
318I88.5Confident84.6Confident89 Ų8986.9 Ų86.946%0.45650%0.499SS..Hα-helixtrans-61.5-43.5177.8-70.3164.4000110.7A314 L315 V320 F321 I322A314-I318 WeakPolarHBondContact O-CB 3.17Å; A314-I318 VanDerWaalsContact O-CG1 3.22Å; A314-I318 WeakPolarHBondContact O-CG1 3.29Å; A314-I318 PolarHBondContact O-N 2.95Å; L315-I318 PolarHBondContact O-N 3.24Å; I318-V320 VanDerWaalsContact C-N 3.32Å; I318-V320 PolarHBondContact O-N 3.35Å; I318-F321 PolarHBondContact O-N 2.91Å; I318-I322 HydrophobicContact CG2-CD1 3.63Å; I318-I322 HydrophobicContact CG2-CG1 4.23Å; I318-I322 WeakPolarHBondContact O-CB 3.36Å; I318-I322 VanDerWaalsContact O-CG1 3.32Å; I318-I322 WeakPolarHBondContact O-CG1 3.49Å; I318-I322 PolarHBondContact O-N 3.27Å
319L88.1Confident83.9Confident120 Ų12089.6 Ų89.663%0.62850%0.504SS*.Hα-helixtrans-63.5-38.6176.2-73171.1000111.8L315 G316 L317 G323L315-L319 WeakPolarHBondContact O-CB 3.06Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.33Å; L315-L319 PolarHBondContact O-N 3.1Å; G316-L319 PolarHBondContact O-N 3.28Å; L317-L319 VanDerWaalsContact C-N 3.34Å; L317-L319 PolarHBondContact O-N 2.7Å; L319-G323 PolarHBondContact O-N 3.25Å
320V88.7Confident82.9Confident93 Ų9389.4 Ų89.456%0.56450%0.504SS*.Hα-helixtrans-62.5-44.9171.81700000110.8G316 L317 I318 G323 C324G316-V320 VanDerWaalsContact O-CG2 3.28Å; G316-V320 WeakPolarHBondContact O-CG2 3.39Å; G316-V320 PolarHBondContact O-N 3.32Å; L317-V320 WeakPolarHBondContact O-CB 3.5Å; L317-V320 PolarHBondContact O-N 2.95Å; I318-V320 VanDerWaalsContact C-N 3.32Å; I318-V320 PolarHBondContact O-N 3.35Å; V320-G323 PolarHBondContact O-N 2.71Å; V320-C324 WeakPolarHBondContact O-CB 3.02Å; V320-C324 PolarHBondContact O-N 3.17Å; V320-C324 PolarHBondContact O-SG 3.32Å
321F88.3Confident81.6Confident139 Ų13989.9 Ų89.961%0.6151%0.514SS*.Hα-helixtrans-63.8-45.1177.2-89.1-74.4000112.7L317 I318 C324 I325L317-F321 VanDerWaalsContact O-CD2 3.24Å; L317-F321 WeakPolarHBondContact O-CD2 3.22Å; L317-F321 PolarHBondContact O-N 2.93Å; I318-F321 PolarHBondContact O-N 2.91Å; F321-C324 WeakPolarHBondContact O-CB 3.43Å; F321-C324 PolarHBondContact O-N 3.27Å; F321-I325 VanDerWaalsContact O-CG1 3.3Å; F321-I325 WeakPolarHBondContact O-CG1 3.47Å; F321-I325 PolarHBondContact O-N 2.94Å
322I86.3Confident80.1Confident80 Ų8094.4 Ų94.441%0.4153%0.528SS..Hα-helixtrans-64.7-43.3176.8-68.3171000110.1I318 C324 I325 I326I318-I322 HydrophobicContact CG2-CD1 3.63Å; I318-I322 HydrophobicContact CG2-CG1 4.23Å; I318-I322 WeakPolarHBondContact O-CB 3.36Å; I318-I322 VanDerWaalsContact O-CG1 3.32Å; I318-I322 WeakPolarHBondContact O-CG1 3.49Å; I318-I322 PolarHBondContact O-N 3.27Å; I322-C324 VanDerWaalsContact C-N 3.32Å; I322-C324 PolarHBondContact O-N 3.07Å; I322-I325 PolarHBondContact O-N 3.43Å; I322-I325 VanDerWaalsContact O-N 3.15Å; I322-I326 HydrophobicContact CG2-CD1 3.59Å; I322-I326 HydrophobicContact CG2-CG1 4.12Å; I322-I326 WeakPolarHBondContact O-CB 3.25Å; I322-I326 VanDerWaalsContact O-CG1 3.31Å; I322-I326 WeakPolarHBondContact O-CG1 3.22Å; I322-I326 PolarHBondContact O-N 2.92Å
323G83.9Confident78.5Confident30 Ų3096.3 Ų96.331%0.30953%0.534SS..Hα-helixtrans-56.4-46.3173.300000111.7L319 V320 I325 I326 L327L319-G323 PolarHBondContact O-N 3.25Å; V320-G323 PolarHBondContact O-N 2.71Å; G323-I325 PolarHBondContact O-N 3.3Å; G323-I326 PolarHBondContact O-N 3.05Å; G323-L327 VanDerWaalsContact O-CB 3.3Å; G323-L327 WeakPolarHBondContact O-CB 3.31Å; G323-L327 WeakPolarHBondContact O-CG 3.22Å; G323-L327 PolarHBondContact O-N 3.43Å
324C85.5Confident76.4Confident73 Ų7397.5 Ų97.549%0.49354%0.542SS..Hα-helixtrans-61.7-41.4174.3-75.30000112.8V320 F321 I322 R328V320-C324 WeakPolarHBondContact O-CB 3.02Å; V320-C324 PolarHBondContact O-N 3.17Å; V320-C324 PolarHBondContact O-SG 3.32Å; F321-C324 WeakPolarHBondContact O-CB 3.43Å; F321-C324 PolarHBondContact O-N 3.27Å; I322-C324 VanDerWaalsContact C-N 3.32Å; I322-C324 PolarHBondContact O-N 3.07Å; C324-R328 WeakPolarHBondContact O-CB 3.22Å; C324-R328 PolarHBondContact O-N 2.83Å
325I83.9Confident74.3Confident107 Ų107101.1 Ų101.155%0.54956%0.563SS.*Hα-helixtrans-68.7-45.8178.3-69.1167.2000110.8F321 I322 G323 R328 N329F321-I325 VanDerWaalsContact O-CG1 3.3Å; F321-I325 WeakPolarHBondContact O-CG1 3.47Å; F321-I325 PolarHBondContact O-N 2.94Å; I322-I325 PolarHBondContact O-N 3.43Å; I322-I325 VanDerWaalsContact O-N 3.15Å; G323-I325 PolarHBondContact O-N 3.3Å; I325-R328 CarbonylContact O-C 3.54Å; I325-R328 PolarHBondContact O-N 2.9Å; I325-N329 WeakPolarHBondContact O-CB 3.42Å; I325-N329 PolarHBondContact O-N 3.32Å
326I78.9Confident72.1Confident90 Ų90102.6 Ų102.646%0.46257%0.57SS.*Hα-helixtrans-61.9-45.7177.6-67.5171.5000109.9I322 G323 R328 N329 N330I322-I326 HydrophobicContact CG2-CD1 3.59Å; I322-I326 HydrophobicContact CG2-CG1 4.12Å; I322-I326 WeakPolarHBondContact O-CB 3.25Å; I322-I326 VanDerWaalsContact O-CG1 3.31Å; I322-I326 WeakPolarHBondContact O-CG1 3.22Å; I322-I326 PolarHBondContact O-N 2.92Å; G323-I326 PolarHBondContact O-N 3.05Å; I326-R328 VanDerWaalsContact C-N 3.32Å; I326-R328 PolarHBondContact O-N 2.99Å; I326-N329 PolarHBondContact O-N 2.63Å; I326-N330 VanDerWaalsContact O-CB 3.31Å; I326-N330 WeakPolarHBondContact O-CB 3.5Å; I326-N330 PolarHBondContact O-N 2.99Å
327L75.7Confident69.8Low135 Ų135106.4 Ų106.471%0.70759%0.589SS**Hα-helixtrans-60.9-41.3175-73.4169.5000111.6G323 G331G323-L327 VanDerWaalsContact O-CB 3.3Å; G323-L327 WeakPolarHBondContact O-CB 3.31Å; G323-L327 WeakPolarHBondContact O-CG 3.22Å; G323-L327 PolarHBondContact O-N 3.43Å; L327-G331 PolarHBondContact O-N 3.35Å
328R76.1Confident67.5Low205 Ų205110.6 Ų110.677%0.77460%0.603SS**Hα-helixtrans-71.4-31.1178.1-166.8174.5-178.7172.10.4113.1C324 I325 I326C324-R328 WeakPolarHBondContact O-CB 3.22Å; C324-R328 PolarHBondContact O-N 2.83Å; I325-R328 CarbonylContact O-C 3.54Å; I325-R328 PolarHBondContact O-N 2.9Å; I326-R328 VanDerWaalsContact C-N 3.32Å; I326-R328 PolarHBondContact O-N 2.99Å
329N66.4Low65.1Low98 Ų98115.3 Ų115.352%0.52462%0.622SS.*Hα-helixtrans-85.1-37.6-178.5-152.138.4000111.6I325 I326 G331 K332I325-N329 WeakPolarHBondContact O-CB 3.42Å; I325-N329 PolarHBondContact O-N 3.32Å; I326-N329 PolarHBondContact O-N 2.63Å; N329-G331 PolarHBondContact O-N 3.4Å; N329-K332 WeakPolarHBondContact O-CB 3.45Å; N329-K332 PolarHBondContact O-N 3.18Å
330N59.2Low62.8Low106 Ų106112.3 Ų112.357%0.56762%0.621SS**Hα-helixtrans-67.9-27168.8-77.2-6.4000111.9I326 K332 S333I326-N330 VanDerWaalsContact O-CB 3.31Å; I326-N330 WeakPolarHBondContact O-CB 3.5Å; I326-N330 PolarHBondContact O-N 2.99Å; N330-K332 PolarHBondContact O-N 3.42Å; N330-K332 VanDerWaalsContact O-N 3.12Å; N330-S333 PolarHBondContact O-N 3.02Å; N330-S333 VanDerWaalsContact O-N 3.1Å
331G53.3Low60.4Low61 Ų61116 Ų11663%0.62963%0.631SS**THydrogen-bonded Turntrans-59.2-1716800000114.1L327 N329L327-G331 PolarHBondContact O-N 3.35Å; N329-G331 PolarHBondContact O-N 3.4Å
332K54.7Low57.9Low170 Ų170115.7 Ų115.774%0.73964%0.635SS**THydrogen-bonded Turntrans-93.8-16.1174.9-69.7-176.3175.7-178.70114.2N329 N330N329-K332 WeakPolarHBondContact O-CB 3.45Å; N329-K332 PolarHBondContact O-N 3.18Å; N330-K332 PolarHBondContact O-N 3.42Å; N330-K332 VanDerWaalsContact O-N 3.12Å
333S50.5Low55.6Low84 Ų84118.2 Ų118.259%0.58766%0.657SS**THydrogen-bonded Turntrans-107.84.8-170.2-46.20000114.2N330N330-S333 PolarHBondContact O-N 3.02Å; N330-S333 VanDerWaalsContact O-N 3.1Å
334S42.6Very low53.5Low87 Ų87120.5 Ų120.561%0.60868%0.68SS**  trans-13594.2171.5-65.20000108.4L336S334-L336 PolarHBondContact O-N 3.47Å
335P44.3Very low51.4Low120 Ų120125.5 Ų125.578%0.77970%0.696SS**  trans-61.393.6156.327.6-30.6000105.8P337P335-P337 VanDerWaalsContact O-CD 3.26Å; P335-P337 WeakPolarHBondContact O-CD 3.45Å; P335-P337 VanDerWaalsContact O-N 3.1Å
336L41.9Very low49Very low129 Ų129132 Ų13268%0.67571%0.714SS**  trans-52.5117.8155.7-79.2164.1000104.7S334 F338S334-L336 PolarHBondContact O-N 3.47Å; L336-F338 HydrophobicContact CB-CD2 4.07Å; L336-F338 HydrophobicContact CB-CE2 4.03Å; L336-F338 HydrophobicContact CD1-CE2 4.31Å; L336-F338 PolarHBondContact O-N 3.16Å
337P38.1Very low47.4Very low115 Ų115137.6 Ų137.675%0.74775%0.752SS**  trans-70.589.8178.529.1-31.3000106.6P335 H339P335-P337 VanDerWaalsContact O-CD 3.26Å; P335-P337 WeakPolarHBondContact O-CD 3.45Å; P335-P337 VanDerWaalsContact O-N 3.1Å; P337-H339 PolarHBondContact O-N 3.37Å
338F42.9Very low46Very low192 Ų192137.8 Ų137.884%0.84275%0.754SS**  trans-76.474.3158.8-81.3-78.7000107.3L336L336-F338 HydrophobicContact CB-CD2 4.07Å; L336-F338 HydrophobicContact CB-CE2 4.03Å; L336-F338 HydrophobicContact CD1-CE2 4.31Å; L336-F338 PolarHBondContact O-N 3.16Å
339H38.2Very low44.4Very low187 Ų187134.2 Ų134.287%0.86675%0.753SS**  trans-65.6122.2151-116.512.2000107.2P337P337-H339 PolarHBondContact O-N 3.37Å
340G39.3Very low43.1Very low58 Ų58136.2 Ų136.260%0.59877%0.766SS**  trans118.3102.2155.600000116.1
341H37.8Very low42.2Very low169 Ų169138 Ų13878%0.78278%0.778SS**  trans68.7101.4138.8-58.4-62.9000118.2
342I37.4Very low41.5Very low133 Ų133142.8 Ų142.868%0.68279%0.787SS**  62.2115.488.2-59167.3000112.7
343P37.3Very low40.6Very low134 Ų134141 Ų14187%0.8779%0.79SS**  -139.7129115.233.8-18.8000112.8
344G40Very low39.9Very low78 Ų78145.1 Ų145.180%0.80481%0.805SS**  trans158.324.2169.700000117.3
345Q39.9Very low39.7Very low178 Ų178149.5 Ų149.583%0.83282%0.82SS**  trans-84.1113.3169.4-166.7171-9.200108.9
346R35.4Very low39.3Very low243 Ų243152 Ų15292%0.91782%0.823SS**  trans-121.597.4160.4-82.9-172178.7177.30.3107.6
347V43.8Very low39.1Very low208 Ų208154.1 Ų154.1100%1.26184%0.836SS**  trans-144.60134.8-169.20000106.2

Retrieved 347 of 347 residues in 141.8 ms (Link to these results)

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