A0A087Y880_POEFO Loading...

Replication factor A protein 2

AlphaFold DB , UniProt , Accession A0A087Y880, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 278 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
1M35.3Very low33.5Very low222 Ų222143.5 Ų143.5100%1.09481%0.805SS**  0114.20-83.7176.481.400107.6
2W37.8Very low33.4Very low222 Ų222147.5 Ų147.584%0.84182%0.816SS**  trans57.4100.5164.8-51.594.6000116.9
3N35.3Very low33.5Very low137 Ų137147 Ų14773%0.73382%0.819SS**  73.9119.858.2-158.445.2000114.4
4Q39.8Very low33.6Very low182 Ų182140.8 Ų140.885%0.8581%0.805SS**  trans169105.6136.3-93.9170.555.300107
5G33.3Very low33.4Very low77 Ų77136.9 Ų136.979%0.79481%0.808SS**  94.1115.77800000107.2
6G32.4Very low33.6Very low73 Ų73142 Ų14275%0.75381%0.811SS**  cis102.1104.63800000108.1
7Y31.4Very low33.9Very low229 Ų229141.9 Ų141.990%0.89881%0.814SS**  trans168.2144.2133.8-106.5-90.5000112.3
8S32.3Very low34.3Very low89 Ų89144.5 Ų144.562%0.62282%0.817SS**  trans-63.4155177.246.40000114.8
9E30.2Very low34.3Very low171 Ų171142.2 Ų142.280%0.79981%0.812SS**  163.9144.297.1-144.8170.6138.200111.7
10S32.4Very low34.9Very low105 Ų105142.1 Ų142.173%0.73482%0.817SS**  trans29.5133.7148.762.40000121.9
11G28.9Very low35.7Very low71 Ų71139.2 Ų139.273%0.73282%0.818SS**  trans150.7106141.200000116.8
12M32Very low35.6Very low192 Ų192132 Ų13295%0.94680%0.8SS**  trans59106143.9-71.5-174.2162.500119.8
13V34.7Very low36Very low141 Ų141131.9 Ų131.986%0.85581%0.806SS**PPolyproline II helixtrans-55.9128.2157.8176.90000110.2
14G34.4Very low36.1Very low60 Ų60130 Ų13062%0.61981%0.809SS**PPolyproline II helixtrans-70.9149.1-179.300000113.7
15G31.6Very low36.3Very low82 Ų82126.4 Ų126.485%0.84580%0.804SS**PPolyproline II helixtrans-68.1145.4-169.700000115.8
16Y35.3Very low36.9Very low219 Ų219128.7 Ų128.786%0.85981%0.805SS**PPolyproline II helixtrans-94.4134.9160.8-65.4-85.6000109.2Q18Y16-Q18 PolarHBondContact O-N 3.41Å
17T38.9Very low37.1Very low140 Ų140130 Ų13086%0.85980%0.803SS**PPolyproline II helixtrans-66.3116.6175.247.80000110.9
18Q41Very low37.7Very low189 Ų189128 Ų12888%0.88381%0.807SS**PPolyproline II helixtrans-81.7117.9172.6-76.6-96.4-1600110Y16Y16-Q18 PolarHBondContact O-N 3.41Å
19S35.1Very low38.1Very low101 Ų101128.9 Ų128.971%0.70681%0.813SS**PPolyproline II helixtrans-97143162.4-64.70000109.2G21S19-G21 PolarHBondContact O-N 3.39Å
20P46.4Very low38.7Very low140 Ų140130.1 Ų130.191%0.90982%0.818SS**SBendtrans-84104.1-171.431.4-30.3000110.9
21G50.3Low39.2Very low82 Ų82129.2 Ų129.285%0.84583%0.826SS**  trans141.671.7174.100000112.4S19S19-G21 PolarHBondContact O-N 3.39Å
22G34.5Very low39.4Very low69 Ų69129.1 Ų129.171%0.71183%0.825SS**  trans-147.7132.9177.300000110.6A24G22-A24 PolarHBondContact O-N 3.37Å
23F45.2Very low40Very low220 Ų220130 Ų13097%0.96583%0.827SS**  trans-42.4114.7174.1-86.4-110.9000111.9
24A38.4Very low40.5Very low98 Ų98132.9 Ų132.981%0.8183%0.828SS**  trans-87.6107.3165.500000108.6G22G22-A24 PolarHBondContact O-N 3.37Å
25S43Very low41Very low106 Ų106140 Ų14074%0.74184%0.842SS**  trans-59.3136.8157.5-58.90000108.6S27S25-S27 PolarHBondContact O-N 3.49Å
26P46.7Very low41.3Very low126 Ų126139.2 Ų139.282%0.81883%0.833SS**  trans-67.3114.4178.224.8-28.8000109.3
27S37Very low41.5Very low101 Ų101138.1 Ų138.171%0.70683%0.828SS**  trans-62.3130.2164.435.90000109.2S25 S29S25-S27 PolarHBondContact O-N 3.49Å; S27-S29 PolarHBondContact O-N 3.32Å
28L43.7Very low41.8Very low187 Ų187138 Ų13898%0.97983%0.827SS**  trans-65.3102.7166-85.394000108.5
29S40Very low42.1Very low106 Ų106135.5 Ų135.574%0.74181%0.81SS**  trans-117.7130.3163.952.70000110.6S27S27-S29 PolarHBondContact O-N 3.32Å
30Q42.1Very low42.6Very low197 Ų197134.7 Ų134.792%0.92181%0.809SS**  trans-30.1140.3-179.6-70.7166.8-2.700118
31G43.3Very low43.3Very low87 Ų87132.7 Ų132.790%0.89779%0.794SS**  trans86.286.3133.500000116.4
32G34.3Very low45Very low69 Ų69134.9 Ų134.971%0.71178%0.782SS**  trans171.1103.1163.500000111K34G32-K34 VanDerWaalsContact C-N 3.27Å; G32-K34 PolarHBondContact O-N 3.19Å
33E44.5Very low47.8Very low210 Ų210135 Ų13598%0.98177%0.766SS**  trans-61.785.5173.2-66.6174.4107.800110.4
34K44.1Very low50.3Low202 Ų202125 Ų12588%0.87872%0.722SS**  trans-88.5104.8160.3-75.2-172.8179.4179.30106.9G32 G36G32-K34 VanDerWaalsContact C-N 3.27Å; G32-K34 PolarHBondContact O-N 3.19Å; K34-G36 VanDerWaalsContact C-N 3.3Å; K34-G36 PolarHBondContact O-N 2.75Å
35K45Very low53.2Low209 Ų209121.1 Ų121.191%0.90969%0.689SS**  trans-41.895.9164-119.2175.8178.7176.10108.7R37K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.16Å
36G38.2Very low55.8Low65 Ų65116.1 Ų116.167%0.6765%0.654SS**  trans-71.687.3176.100000107.5K34 T38K34-G36 VanDerWaalsContact C-N 3.3Å; K34-G36 PolarHBondContact O-N 2.75Å; G36-T38 PolarHBondContact O-N 3.29Å; G36-T38 PolarHBondContact O-OG1 3.01Å
37R40.4Very low58.3Low197 Ų197111.5 Ų111.574%0.74362%0.624SS**  trans-68.688.4164.5-166.1176.8-173.9174.82.3105.5K35 R39K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.16Å; R37-R39 PolarHBondContact O-N 2.78Å
38T44.1Very low61.3Low138 Ų138106.8 Ų106.885%0.84759%0.59SS**  trans-68.773171.9-43.70000107.4G36 A40G36-T38 PolarHBondContact O-N 3.29Å; G36-T38 PolarHBondContact O-OG1 3.01Å; T38-A40 PolarHBondContact O-N 2.77Å; T38-A40 VanDerWaalsContact O-N 3.17Å
39R47.6Very low63.9Low136 Ų136100 Ų10051%0.51356%0.558SS.*  trans-70109.8171.5-132.4-177.9-177.2-174.6-0.7104.7R37 T41 E67R37-R39 PolarHBondContact O-N 2.78Å; R39-T41 PolarHBondContact O-N 3.38Å; R39-T41 VanDerWaalsContact O-N 3.07Å; R39-E67 IonicContact CZ-OE2 3.69Å; R39-E67 VanDerWaalsContact NH1-CD 3.34Å; R39-E67 IonicContact NH1-OE1 2.62Å; R39-E67 PolarHBondContact NH1-OE1 3.48Å; R39-E67 IonicContact NH1-OE2 2.79Å; R39-E67 PolarHBondContact NH1-OE2 3.31Å
40A45.8Very low66.7Low83 Ų8396.7 Ų96.769%0.68653%0.531SS*.  trans-48.2121166.500000107.4T38 Q42T38-A40 PolarHBondContact O-N 2.77Å; T38-A40 VanDerWaalsContact O-N 3.17Å; A40-Q42 VanDerWaalsContact C-N 3.26Å; A40-Q42 PolarHBondContact O-N 3.42Å
41T61.8Low69.3Low98 Ų9887.3 Ų87.360%0.60149%0.487SS*.  trans-74.886.3-178.444.30000107.5R39 I43 Q70R39-T41 PolarHBondContact O-N 3.38Å; R39-T41 VanDerWaalsContact O-N 3.07Å; T41-I43 PolarHBondContact O-N 3.02Å; T41-Q70 PolarHBondContact OG1-NE2 3.4Å
42Q84.8Confident71.9Confident128 Ų12887.3 Ų87.360%0.59847%0.465SS*.PPolyproline II helixtrans-64.2130.7177.6-66.9-176.3-59.100109.3A40 I44A40-Q42 VanDerWaalsContact C-N 3.26Å; A40-Q42 PolarHBondContact O-N 3.42Å; Q42-I44 HydrophobicContact CB-CD1 3.86Å; Q42-I44 PolarHBondContact O-N 3.35Å
43I94.7Very high74.8Confident73 Ų7388.4 Ų88.437%0.37446%0.462SS..EExtended strand (participates in β ladder)trans-80.2117.2172.1-54.2175.7000107.4T41 Q70 T72 F141T41-I43 PolarHBondContact O-N 3.02Å; I43-Q70 WeakPolarHBondContact CA-O 3.43Å; I43-Q70 HydrophobicContact CB-CB 4.41Å; I43-Q70 HydrophobicContact CG1-CB 3.99Å; I43-Q70 HydrophobicContact CG2-CB 4.42Å; I43-T72 HydrophobicContact CG2-CG2 3.54Å; I43-F141 HydrophobicContact CD1-CZ 4.01Å
44I97.6Very high77.2Confident9 Ų978.5 Ų78.55%0.04642%0.416CS..EExtended strand (participates in β ladder)trans-96.7122.4-174.5-52.3-51.9000110.2Q42 C46 V66 V68 Q70 V71 T72 L166Q42-I44 HydrophobicContact CB-CD1 3.86Å; Q42-I44 PolarHBondContact O-N 3.35Å; I44-C46 PolarHBondContact O-N 2.91Å; I44-V66 HydrophobicContact CG2-CG1 4.34Å; I44-V68 HydrophobicContact CB-CG1 4.23Å; I44-V68 HydrophobicContact CG1-CG1 4.43Å; I44-V68 HydrophobicContact CG2-CG1 4.14Å; I44-Q70 PolarHBondContact N-O 3.06Å; I44-V71 CarbonylContact O-C 3.53Å; I44-V71 WeakPolarHBondContact O-CA 3.29Å; I44-V71 WeakPolarHBondContact O-CB 3.47Å; I44-T72 PolarHBondContact O-N 2.85Å; I44-L166 HydrophobicContact CD1-CD1 3.51Å
45P98.4Very high79.7Confident17 Ų1772 Ų7211%0.1140%0.397CS..EExtended strand (participates in β ladder)trans-68.5126172.329-33.1000109.7T72 E158 V159 A162 H163P45-T72 VanDerWaalsContact CA-OG1 3.29Å; P45-T72 WeakPolarHBondContact CA-OG1 3.32Å; P45-E158 HydrophobicContact CB-CB 4.13Å; P45-E158 HydrophobicContact CG-CB 4.02Å; P45-V159 HydrophobicContact CB-CG2 3.98Å; P45-A162 HydrophobicContact CG-CB 3.64Å; P45-H163 PolarHBondContact O-NE2 3.46Å
46C98.7Very high82Confident0 Ų065.6 Ų65.60%037%0.37CS..  trans-130162.5-178.5-66.60000111.3I44 L51 T72 H155I44-C46 PolarHBondContact O-N 2.91Å; C46-L51 HydrophobicContact CB-CD1 4.29Å; C46-L51 HydrophobicContact CB-CD2 3.6Å; C46-L51 HydrophobicContact CB-CG 3.83Å; C46-T72 PolarHBondContact N-O 3.15Å; C46-H155 PolarHBondContact O-NE2 3.26Å; C46-H155 VanDerWaalsContact O-NE2 3.1Å
47T98.8Very high84.5Confident30 Ų3067.3 Ų67.318%0.18437%0.367CS..  trans-91158.5158.259.30000110.5S49 Q50 L51 D93 T95 V159T47-S49 VanDerWaalsContact C-N 3.3Å; T47-S49 PolarHBondContact O-N 2.88Å; T47-S49 PolarHBondContact OG1-OG 3.03Å; T47-S49 VanDerWaalsContact OG1-OG 3.06Å; T47-Q50 PolarHBondContact O-N 2.89Å; T47-Q50 VanDerWaalsContact OG1-CG 3.23Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.41Å; T47-Q50 PolarHBondContact OG1-N 2.91Å; T47-Q50 PolarHBondContact OG1-OE1 3.14Å; T47-L51 WeakPolarHBondContact O-CG 3.3Å; T47-L51 PolarHBondContact O-N 2.83Å; T47-D93 WeakPolarHBondContact CA-OD2 3.32Å; T47-D93 WeakPolarHBondContact CB-OD2 3.25Å; T47-T95 HydrophobicContact CG2-CG2 3.88Å; T47-V159 HydrophobicContact CG2-CG1 4.22Å
48V98.8Very high86.7Confident1 Ų164.8 Ų64.81%0.00637%0.368CS..Hα-helixtrans-57.5-44.4174.11700000110.7Q50 L51 M52 I73 D93 T95 A97 M99V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 3.29Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L51 VanDerWaalsContact O-N 3.14Å; V48-M52 HydrophobicContact CG1-CG 4.03Å; V48-M52 WeakPolarHBondContact O-CB 3.47Å; V48-M52 VanDerWaalsContact O-CG 3.28Å; V48-M52 WeakPolarHBondContact O-CG 3.37Å; V48-M52 PolarHBondContact O-N 2.87Å; V48-I73 HydrophobicContact CG2-CD1 4.34Å; V48-D93 WeakPolarHBondContact CB-OD1 3.4Å; V48-D93 HydrophobicContact CG2-CB 4.2Å; V48-D93 PolarHBondContact N-OD2 3.18Å; V48-T95 PolarHBondContact N-OG1 3.14Å; V48-A97 VanDerWaalsContact CG1-O 3.26Å; V48-A97 WeakPolarHBondContact CG1-O 3.37Å; V48-M99 HydrophobicContact CG1-CB 3.98Å; V48-M99 HydrophobicContact CG1-CE 4.28Å; V48-M99 HydrophobicContact CG2-CB 3.92Å
49S98.5Very high88.7Confident44 Ų4466.6 Ų66.631%0.30837%0.367SS..Hα-helixtrans-56.9-45.2178.666.30000112.8T47 L51 M52 S53 T95T47-S49 VanDerWaalsContact C-N 3.3Å; T47-S49 PolarHBondContact O-N 2.88Å; T47-S49 PolarHBondContact OG1-OG 3.03Å; T47-S49 VanDerWaalsContact OG1-OG 3.06Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.44Å; S49-M52 PolarHBondContact O-N 3.27Å; S49-S53 WeakPolarHBondContact O-CB 3.23Å; S49-S53 PolarHBondContact O-N 2.8Å; S49-S53 PolarHBondContact O-OG 3.44Å; S49-T95 VanDerWaalsContact CB-O 3.3Å; S49-T95 WeakPolarHBondContact CB-O 3.24Å; S49-T95 WeakPolarHBondContact CB-OG1 3.27Å; S49-T95 PolarHBondContact N-OG1 2.9Å; S49-T95 WeakPolarHBondContact OG-CB 3.45Å; S49-T95 PolarHBondContact OG-OG1 3.47Å
50Q98.4Very high90.7Very high37 Ų3762.9 Ų62.917%0.17336%0.359CS..Hα-helixtrans-60.5-43.3176.8-75.8168.5-47.100111.6T47 V48 S53 A54 V63 V159T47-Q50 PolarHBondContact O-N 2.89Å; T47-Q50 VanDerWaalsContact OG1-CG 3.23Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.41Å; T47-Q50 PolarHBondContact OG1-N 2.91Å; T47-Q50 PolarHBondContact OG1-OE1 3.14Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 3.29Å; Q50-S53 PolarHBondContact O-N 2.68Å; Q50-S53 PolarHBondContact O-OG 2.87Å; Q50-A54 WeakPolarHBondContact O-CA 3.46Å; Q50-A54 WeakPolarHBondContact O-CB 3.27Å; Q50-A54 PolarHBondContact O-N 3.37Å; Q50-V63 HydrophobicContact CB-CG1 3.91Å; Q50-V63 HydrophobicContact CB-CG2 4.01Å; Q50-V63 HydrophobicContact CG-CG1 3.83Å; Q50-V159 VanDerWaalsContact OE1-CG1 3.28Å
51L98.2Very high93.1Very high0 Ų059.4 Ų59.40%033%0.329CS..Hα-helixtrans-66.3-40.1178.3-60.5-178.9000111.9C46 T47 V48 S49 V71 I73 M99 L129 R136 V138C46-L51 HydrophobicContact CB-CD1 4.29Å; C46-L51 HydrophobicContact CB-CD2 3.6Å; C46-L51 HydrophobicContact CB-CG 3.83Å; T47-L51 WeakPolarHBondContact O-CG 3.3Å; T47-L51 PolarHBondContact O-N 2.83Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L51 VanDerWaalsContact O-N 3.14Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.44Å; L51-V71 HydrophobicContact CD1-CG2 4.01Å; L51-V71 HydrophobicContact CD2-CB 4.31Å; L51-V71 HydrophobicContact CD2-CG1 3.8Å; L51-V71 HydrophobicContact CD2-CG2 4.31Å; L51-I73 HydrophobicContact CD1-CG2 3.61Å; L51-M99 HydrophobicContact CB-CE 3.5Å; L51-M99 VanDerWaalsContact CB-CE 3.5Å; L51-M99 HydrophobicContact CD1-CE 3.89Å; L51-M99 HydrophobicContact CG-CE 4.33Å; L51-L129 HydrophobicContact CB-CD1 4.25Å; L51-L129 HydrophobicContact CD2-CD2 4.16Å; L51-R136 VanDerWaalsContact O-CD 3.3Å; L51-R136 WeakPolarHBondContact O-CD 3.47Å; L51-R136 PolarHBondContact O-NH1 2.9Å; L51-V138 HydrophobicContact CD1-CG2 4.19Å
52M96.8Very high94.7Very high87 Ų8759 Ų5943%0.42932%0.316SS..Hα-helixtrans-68.7-34.9178.1-68.2-57.3-71.800112.3V48 S49 M99 R136V48-M52 HydrophobicContact CG1-CG 4.03Å; V48-M52 WeakPolarHBondContact O-CB 3.47Å; V48-M52 VanDerWaalsContact O-CG 3.28Å; V48-M52 WeakPolarHBondContact O-CG 3.37Å; V48-M52 PolarHBondContact O-N 2.87Å; S49-M52 PolarHBondContact O-N 3.27Å; M52-M99 HydrophobicContact CG-CE 4.01Å; M52-M99 HydrophobicContact SD-CE 3.72Å; M52-M99 HydrophobicContact SD-SD 4.1Å; M52-R136 HydrophobicContact SD-CB 3.98Å
53S95.5Very high95.2Very high92 Ų9253.9 Ų53.964%0.64329%0.293SS*.Hα-helixtrans-94.1-4.1179.971.80000114.5S49 Q50 S55S49-S53 WeakPolarHBondContact O-CB 3.23Å; S49-S53 PolarHBondContact O-N 2.8Å; S49-S53 PolarHBondContact O-OG 3.44Å; Q50-S53 PolarHBondContact O-N 2.68Å; Q50-S53 PolarHBondContact O-OG 2.87Å; S53-S55 PolarHBondContact O-N 2.87Å
54A96.3Very high95Very high3 Ų353.3 Ų53.33%0.02531%0.306CS..  trans-58.5133.9-177.100000110.6Q50 F61 R62 V63 V68 R136Q50-A54 WeakPolarHBondContact O-CA 3.46Å; Q50-A54 WeakPolarHBondContact O-CB 3.27Å; Q50-A54 PolarHBondContact O-N 3.37Å; A54-F61 HydrophobicContact CB-CB 4.41Å; A54-R62 CarbonylContact C-O 3.42Å; A54-R62 WeakPolarHBondContact CA-O 3.36Å; A54-R62 VanDerWaalsContact CB-O 3.26Å; A54-R62 WeakPolarHBondContact CB-O 3.4Å; A54-V63 HydrophobicContact CB-CG2 3.79Å; A54-V68 HydrophobicContact CB-CG2 4.47Å; A54-R136 PolarHBondContact O-NH1 3.48Å; A54-R136 PolarHBondContact O-NH2 2.91Å
55S95.1Very high94.6Very high66 Ų6658.9 Ų58.946%0.46234%0.336SS..EExtended strand (participates in β ladder)trans-65.2147.6172.962.80000109.6S53 F61 R62S53-S55 PolarHBondContact O-N 2.87Å; S55-F61 CarbonylContact O-C 3.48Å; S55-F61 VanDerWaalsContact O-CA 3.29Å; S55-F61 WeakPolarHBondContact O-CA 3.49Å; S55-R62 PolarHBondContact N-O 3.45Å; S55-R62 PolarHBondContact O-N 3.29Å; S55-R62 PolarHBondContact OG-O 2.95Å
56Q93.7Very high94.4Very high73 Ų7358.5 Ų58.534%0.34133%0.333SS..EExtended strand (participates in β ladder)trans-127.4122.2177.1-177.4-179.1-0.900108.3D58 V60 F61 S131Q56-D58 WeakPolarHBondContact CG-O 3.48Å; Q56-D58 PolarHBondContact NE2-O 2.83Å; Q56-V60 WeakPolarHBondContact CA-O 3.33Å; Q56-F61 HydrophobicContact CB-CD1 3.92Å; Q56-F61 HydrophobicContact CB-CE1 3.99Å; Q56-F61 VanDerWaalsContact CD-CE1 3.45Å; Q56-F61 HydrophobicContact CG-CD1 4.01Å; Q56-F61 HydrophobicContact CG-CE1 3.77Å; Q56-F61 HydrophobicContact CG-CZ 4.34Å; Q56-S131 VanDerWaalsContact OE1-CB 3.28Å; Q56-S131 PolarHBondContact OE1-OG 3.14Å; Q56-S131 VanDerWaalsContact OE1-OG 3.07Å
57V91.2Very high94.1Very high101 Ų10161.4 Ų61.461%0.61235%0.346SS*.EExtended strand (participates in β ladder)trans-124.9120.5169.3-178.10000106.1E59 V60V57-E59 PolarHBondContact O-N 2.78Å; V57-V60 PolarHBondContact N-O 3.07Å; V57-V60 VanDerWaalsContact N-O 3.14Å; V57-V60 PolarHBondContact O-N 3.04Å
58D87Confident93.9Very high144 Ų14460 Ų6077%0.7734%0.338SS*.THydrogen-bonded Turntrans53.1-121-167.8-54-40.9000111.7Q56Q56-D58 WeakPolarHBondContact CG-O 3.48Å; Q56-D58 PolarHBondContact NE2-O 2.83Å
59E84.3Confident93.6Very high177 Ų17762.5 Ų62.583%0.82735%0.353SS*.THydrogen-bonded Turntrans-99.16.3178.5-61-167.4156.200113.5V57V57-E59 PolarHBondContact O-N 2.78Å
60V90.6Very high93.5Very high57 Ų5762.3 Ų62.335%0.34535%0.348SS..EExtended strand (participates in β ladder)trans-102.9125.3-175.2-176.10000110.5Q56 V57 E67Q56-V60 WeakPolarHBondContact CA-O 3.33Å; V57-V60 PolarHBondContact N-O 3.07Å; V57-V60 VanDerWaalsContact N-O 3.14Å; V57-V60 PolarHBondContact O-N 3.04Å; V60-E67 HydrophobicContact CG1-CG 3.62Å
61F95.2Very high93.5Very high10 Ų1060.6 Ų60.64%0.04434%0.34CS..EExtended strand (participates in β ladder)trans-98.5141.9174.1-57.3-86.2000111.4A54 S55 Q56 E67 V68 L129 S131A54-F61 HydrophobicContact CB-CB 4.41Å; S55-F61 CarbonylContact O-C 3.48Å; S55-F61 VanDerWaalsContact O-CA 3.29Å; S55-F61 WeakPolarHBondContact O-CA 3.49Å; Q56-F61 HydrophobicContact CB-CD1 3.92Å; Q56-F61 HydrophobicContact CB-CE1 3.99Å; Q56-F61 VanDerWaalsContact CD-CE1 3.45Å; Q56-F61 HydrophobicContact CG-CD1 4.01Å; Q56-F61 HydrophobicContact CG-CE1 3.77Å; Q56-F61 HydrophobicContact CG-CZ 4.34Å; F61-E67 WeakPolarHBondContact O-CA 3.26Å; F61-V68 HydrophobicContact CB-CG2 3.72Å; F61-V68 WeakPolarHBondContact CB-O 3.43Å; F61-V68 PolarHBondContact O-N 3.06Å; F61-L129 HydrophobicContact CB-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CG 4.43Å; F61-L129 HydrophobicContact CD2-CB 4.35Å; F61-L129 HydrophobicContact CD2-CD2 3.73Å; F61-L129 HydrophobicContact CD2-CG 4.01Å; F61-L129 HydrophobicContact CE1-CD2 4.27Å; F61-L129 HydrophobicContact CE1-CG 4.47Å; F61-L129 HydrophobicContact CE2-CB 4.5Å; F61-L129 HydrophobicContact CE2-CD2 4.24Å; F61-L129 HydrophobicContact CE2-CG 4.07Å; F61-L129 HydrophobicContact CG-CD2 3.47Å; F61-L129 VanDerWaalsContact CG-CD2 3.47Å; F61-L129 HydrophobicContact CG-CG 4.2Å; F61-L129 HydrophobicContact CZ-CD2 4.49Å; F61-L129 HydrophobicContact CZ-CG 4.31Å; F61-S131 VanDerWaalsContact CZ-CB 3.5Å
62R95.6Very high93.5Very high90 Ų9061.2 Ų61.234%0.3434%0.344SS..EExtended strand (participates in β ladder)trans-134.1135.8174.2-62.6-173.4176.2-77.6-17.4113.2A54 S55 G64 D65 V66 E67A54-R62 CarbonylContact C-O 3.42Å; A54-R62 WeakPolarHBondContact CA-O 3.36Å; A54-R62 VanDerWaalsContact CB-O 3.26Å; A54-R62 WeakPolarHBondContact CB-O 3.4Å; S55-R62 PolarHBondContact N-O 3.45Å; S55-R62 PolarHBondContact O-N 3.29Å; S55-R62 PolarHBondContact OG-O 2.95Å; R62-G64 WeakPolarHBondContact CB-O 3.14Å; R62-D65 PolarHBondContact NH1-O 3.3Å; R62-V66 CarbonylContact C-O 3.34Å; R62-V66 WeakPolarHBondContact CA-O 3.22Å; R62-E67 IonicContact CZ-OE2 3.2Å; R62-E67 IonicContact NH1-OE2 3.89Å; R62-E67 IonicContact NH2-OE2 3.23Å; R62-E67 PolarHBondContact NH2-OE2 2.88Å
63V95.4Very high93.6Very high20 Ų2057.1 Ų57.112%0.12132%0.323CS..EExtended strand (participates in β ladder)trans-105.3100.6167.8-1800000107.1Q50 A54 D65 V66 V68Q50-V63 HydrophobicContact CB-CG1 3.91Å; Q50-V63 HydrophobicContact CB-CG2 4.01Å; Q50-V63 HydrophobicContact CG-CG1 3.83Å; A54-V63 HydrophobicContact CB-CG2 3.79Å; V63-D65 PolarHBondContact O-N 3.33Å; V63-V66 PolarHBondContact N-O 3.39Å; V63-V66 PolarHBondContact O-N 2.85Å; V63-V66 VanDerWaalsContact O-N 3.14Å; V63-V68 HydrophobicContact CG2-CG1 4.1Å; V63-V68 HydrophobicContact CG2-CG2 4.01Å
64G91.6Very high93.8Very high62 Ų6253.2 Ų53.264%0.63930%0.296SS*.THydrogen-bonded Turntrans61-123-163.600000109.7R62R62-G64 WeakPolarHBondContact CB-O 3.14Å
65D89.1Confident93.9Very high126 Ų12653.2 Ų53.267%0.67430%0.295SS*.THydrogen-bonded Turntrans-90.7-9.2177.4-61.5-48.4000113.7R62 V63 E67R62-D65 PolarHBondContact NH1-O 3.3Å; V63-D65 PolarHBondContact O-N 3.33Å; D65-E67 PolarHBondContact O-N 2.91Å
66V92.9Very high94.1Very high8 Ų851.1 Ų51.15%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-82118.5-176-175.30000110.1I44 R62 V63 V68 L166I44-V66 HydrophobicContact CG2-CG1 4.34Å; R62-V66 CarbonylContact C-O 3.34Å; R62-V66 WeakPolarHBondContact CA-O 3.22Å; V63-V66 PolarHBondContact N-O 3.39Å; V63-V66 PolarHBondContact O-N 2.85Å; V63-V66 VanDerWaalsContact O-N 3.14Å; V66-V68 HydrophobicContact CG1-CG1 4.27Å; V66-L166 HydrophobicContact CG1-CB 4.04Å; V66-L166 HydrophobicContact CG1-CD1 4.01Å; V66-L166 HydrophobicContact CG2-CB 3.8Å
67E93.9Very high94.3Very high61 Ų6147.7 Ų47.729%0.28526%0.263SS..EExtended strand (participates in β ladder)trans-73.7127.9173.7-166.3174132.600110.4R39 V60 F61 R62 D65R39-E67 IonicContact CZ-OE2 3.69Å; R39-E67 VanDerWaalsContact NH1-CD 3.34Å; R39-E67 IonicContact NH1-OE1 2.62Å; R39-E67 PolarHBondContact NH1-OE1 3.48Å; R39-E67 IonicContact NH1-OE2 2.79Å; R39-E67 PolarHBondContact NH1-OE2 3.31Å; V60-E67 HydrophobicContact CG1-CG 3.62Å; F61-E67 WeakPolarHBondContact O-CA 3.26Å; R62-E67 IonicContact CZ-OE2 3.2Å; R62-E67 IonicContact NH1-OE2 3.89Å; R62-E67 IonicContact NH2-OE2 3.23Å; R62-E67 PolarHBondContact NH2-OE2 2.88Å; D65-E67 PolarHBondContact O-N 2.91Å
68V94.1Very high94.7Very high0 Ų048.7 Ų48.70%026%0.256CS..EExtended strand (participates in β ladder)trans-124.2117.1-177.3-63.30000110.2I44 A54 F61 V63 V66 V71 L129I44-V68 HydrophobicContact CB-CG1 4.23Å; I44-V68 HydrophobicContact CG1-CG1 4.43Å; I44-V68 HydrophobicContact CG2-CG1 4.14Å; A54-V68 HydrophobicContact CB-CG2 4.47Å; F61-V68 HydrophobicContact CB-CG2 3.72Å; F61-V68 WeakPolarHBondContact CB-O 3.43Å; F61-V68 PolarHBondContact O-N 3.06Å; V63-V68 HydrophobicContact CG2-CG1 4.1Å; V63-V68 HydrophobicContact CG2-CG2 4.01Å; V66-V68 HydrophobicContact CG1-CG1 4.27Å; V68-V71 HydrophobicContact CB-CG1 4.09Å; V68-L129 HydrophobicContact CG2-CD2 4.18Å
69T92.6Very high95.2Very high55 Ų5543.4 Ų43.434%0.33723%0.23SC..SBendtrans-124.2-58177.9-56.50000110N128 L129T69-N128 WeakPolarHBondContact O-CA 3.24Å; T69-L129 PolarHBondContact O-N 2.92Å
70Q96.3Very high95.9Very high40 Ų4036.5 Ų36.519%0.18720%0.2CC..EExtended strand (participates in β ladder)trans-98.5134.7169-66.4-179.63400108.9T41 I43 I44 G127 N128T41-Q70 PolarHBondContact OG1-NE2 3.4Å; I43-Q70 WeakPolarHBondContact CA-O 3.43Å; I43-Q70 HydrophobicContact CB-CB 4.41Å; I43-Q70 HydrophobicContact CG1-CB 3.99Å; I43-Q70 HydrophobicContact CG2-CB 4.42Å; I44-Q70 PolarHBondContact N-O 3.06Å; Q70-G127 CarbonylContact C-O 3.51Å; Q70-G127 WeakPolarHBondContact CA-O 3.44Å; Q70-N128 WeakPolarHBondContact CG-OD1 3.46Å
71V98.3Very high96.2Very high1 Ų138.3 Ų38.31%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-137.8155-172-59.30000111.6I44 L51 V68 S126 G127 V138I44-V71 CarbonylContact O-C 3.53Å; I44-V71 WeakPolarHBondContact O-CA 3.29Å; I44-V71 WeakPolarHBondContact O-CB 3.47Å; L51-V71 HydrophobicContact CD1-CG2 4.01Å; L51-V71 HydrophobicContact CD2-CB 4.31Å; L51-V71 HydrophobicContact CD2-CG1 3.8Å; L51-V71 HydrophobicContact CD2-CG2 4.31Å; V68-V71 HydrophobicContact CB-CG1 4.09Å; V71-S126 WeakPolarHBondContact O-CA 3.46Å; V71-G127 PolarHBondContact N-O 2.91Å; V71-G127 PolarHBondContact O-N 3.45Å; V71-V138 HydrophobicContact CG2-CG2 4.28Å
72T98.7Very high96Very high13 Ų1341.8 Ų41.88%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-112.8141.6160.658.90000111I43 I44 P45 C46 V125 S126 H155I43-T72 HydrophobicContact CG2-CG2 3.54Å; I44-T72 PolarHBondContact O-N 2.85Å; P45-T72 VanDerWaalsContact CA-OG1 3.29Å; P45-T72 WeakPolarHBondContact CA-OG1 3.32Å; C46-T72 PolarHBondContact N-O 3.15Å; T72-V125 CarbonylContact C-O 3.55Å; T72-V125 WeakPolarHBondContact CA-O 3.49Å; T72-S126 WeakPolarHBondContact CG2-OG 3.22Å; T72-H155 PolarHBondContact O-CE1 2.61Å; T72-H155 PolarHBondContact OG1-CE1 3.09Å
73I98.8Very high95.8Very high1 Ų140.2 Ų40.21%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-130148.216863.1173.3000109.2V48 L51 V91 M99 V101 V125V48-I73 HydrophobicContact CG2-CD1 4.34Å; L51-I73 HydrophobicContact CD1-CG2 3.61Å; I73-V91 HydrophobicContact CD1-CB 4.29Å; I73-V91 HydrophobicContact CD1-CG1 4.13Å; I73-M99 HydrophobicContact CD1-CB 4.43Å; I73-M99 HydrophobicContact CD1-CG 4.38Å; I73-V101 HydrophobicContact CD1-CG2 4.2Å; I73-V125 HydrophobicContact CD1-CB 4.41Å; I73-V125 HydrophobicContact CG1-CB 3.71Å; I73-V125 HydrophobicContact CG1-CG1 4.33Å; I73-V125 HydrophobicContact CG1-CG2 4.21Å; I73-V125 PolarHBondContact N-O 2.91Å; I73-V125 PolarHBondContact O-N 3.33Å
74V98.9Very high95.4Very high10 Ų1047.5 Ų47.56%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-121126.8171.5172.60000108.4D93 V123 K124 L146 I152 H155V74-D93 VanDerWaalsContact O-CB 3.32Å; V74-D93 WeakPolarHBondContact O-CB 3.27Å; V74-V123 VanDerWaalsContact CA-O 3.32Å; V74-V123 WeakPolarHBondContact CA-O 3.34Å; V74-K124 HydrophobicContact CG2-CB 3.95Å; V74-K124 HydrophobicContact CG2-CD 4.13Å; V74-K124 HydrophobicContact CG2-CG 3.75Å; V74-L146 HydrophobicContact CG1-CD1 4.21Å; V74-L146 HydrophobicContact CG1-CD2 3.81Å; V74-I152 HydrophobicContact CG1-CG1 3.99Å; V74-H155 HydrophobicContact CB-CB 3.97Å; V74-H155 HydrophobicContact CG2-CB 3.65Å
75G98.8Very high95.3Very high2 Ų247.9 Ų47.92%0.02125%0.25CS..EExtended strand (participates in β ladder)trans-167.7176.8-17700000112.8D92 Y122 V123G75-D92 CarbonylContact C-O 3.53Å; G75-D92 VanDerWaalsContact CA-O 3.23Å; G75-D92 WeakPolarHBondContact CA-O 3.34Å; G75-Y122 CarbonylContact O-C 3.48Å; G75-Y122 WeakPolarHBondContact O-CA 3.35Å; G75-V123 PolarHBondContact N-O 3.31Å; G75-V123 VanDerWaalsContact N-O 3.1Å; G75-V123 PolarHBondContact O-N 3.46Å
76I98.8Very high95.5Very high22 Ų2242.4 Ų42.411%0.11322%0.221CC..EExtended strand (participates in β ladder)trans-95137.4177.9-166.1172.7000110.7R78 D92 M94 Y122I76-R78 PolarHBondContact O-N 2.74Å; I76-D92 HydrophobicContact CG2-CB 4.17Å; I76-D92 PolarHBondContact N-O 3.41Å; I76-D92 PolarHBondContact O-N 2.93Å; I76-M94 HydrophobicContact CG2-CE 3.76Å; I76-Y122 HydrophobicContact CB-CD1 4.15Å; I76-Y122 HydrophobicContact CB-CD2 4.46Å; I76-Y122 HydrophobicContact CB-CE1 3.94Å; I76-Y122 HydrophobicContact CB-CE2 4.27Å; I76-Y122 HydrophobicContact CB-CG 4.42Å; I76-Y122 HydrophobicContact CD1-CD2 4.37Å; I76-Y122 HydrophobicContact CD1-CE2 3.91Å; I76-Y122 HydrophobicContact CG1-CD2 4.33Å; I76-Y122 HydrophobicContact CG1-CE2 4.25Å
77I98.8Very high95.6Very high1 Ų142 Ų421%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-70.7124172.9-62174.7000109.2S79 T80 Y89 L117 P119 G120 T121 V123I77-S79 WeakPolarHBondContact CG2-O 3.22Å; I77-T80 WeakPolarHBondContact CG2-OG1 3.32Å; I77-Y89 HydrophobicContact CD1-CD1 3.77Å; I77-Y89 HydrophobicContact CD1-CE1 3.97Å; I77-Y89 HydrophobicContact CD1-CG 4.47Å; I77-Y89 HydrophobicContact CG1-CD1 4.34Å; I77-Y89 HydrophobicContact CG2-CD1 4.07Å; I77-L117 HydrophobicContact CD1-CB 3.53Å; I77-L117 HydrophobicContact CD1-CD1 4.43Å; I77-P119 WeakPolarHBondContact O-CA 3.28Å; I77-G120 PolarHBondContact O-N 3.44Å; I77-T121 PolarHBondContact N-O 2.88Å; I77-V123 HydrophobicContact CD1-CG1 3.67Å; I77-V123 HydrophobicContact CD1-CG2 4.38Å; I77-V123 HydrophobicContact CG1-CG1 4.03Å; I77-V123 HydrophobicContact CG1-CG2 3.95Å
78R98.7Very high95.8Very high123 Ų12343 Ų4346%0.46422%0.223SC..EExtended strand (participates in β ladder)trans-94.8-35.6175-62.1-57-164177.74.5112.7I76 K90 D92 P98I76-R78 PolarHBondContact O-N 2.74Å; R78-K90 HydrophobicContact CB-CB 4.28Å; R78-K90 PolarHBondContact N-O 3.41Å; R78-D92 HydrophobicContact CG-CB 3.58Å; R78-D92 IonicContact CZ-OD2 2.83Å; R78-D92 IonicContact NE-OD2 3.93Å; R78-D92 PolarHBondContact NE-OD2 2.91Å; R78-D92 IonicContact NH2-OD2 2.78Å; R78-D92 PolarHBondContact NH2-OD2 3.32Å; R78-P98 HydrophobicContact CG-CB 4.46Å; R78-P98 HydrophobicContact CG-CG 4.16Å
79S98.5Very high96Very high32 Ų3243 Ų4322%0.22422%0.223CC..EExtended strand (participates in β ladder)trans-148.7154.7174.467.50000110.7I77 Y89 K90I77-S79 WeakPolarHBondContact CG2-O 3.22Å; S79-Y89 WeakPolarHBondContact O-CA 3.28Å; S79-K90 PolarHBondContact O-N 2.88Å; S79-K90 WeakPolarHBondContact OG-CB 3.3Å; S79-K90 WeakPolarHBondContact OG-CD 3.5Å; S79-K90 VanDerWaalsContact OG-CG 3.31Å; S79-K90 WeakPolarHBondContact OG-CG 3.43Å
80T98.2Very high96.3Very high33 Ų3344.5 Ų44.520%0.20223%0.225CC..EExtended strand (participates in β ladder)trans-134122.6177.6-56.60000108.6I77 I87 Q88 Y89 V116 L117I77-T80 WeakPolarHBondContact CG2-OG1 3.32Å; T80-I87 HydrophobicContact CG2-CG2 3.9Å; T80-Q88 CarbonylContact C-O 3.49Å; T80-Q88 WeakPolarHBondContact CA-O 3.34Å; T80-Y89 HydrophobicContact CG2-CD1 3.8Å; T80-Y89 HydrophobicContact CG2-CE1 3.51Å; T80-Y89 WeakPolarHBondContact OG1-CD1 3.2Å; T80-V116 HydrophobicContact CG2-CG1 3.54Å; T80-L117 PolarHBondContact OG1-O 3.28Å
81D96.4Very high96.4Very high94 Ų9442.6 Ų42.650%0.50322%0.216SC..EExtended strand (participates in β ladder)trans-124.7104.8179.9-65.3-58.8000109.2Q88D81-Q88 HydrophobicContact CB-CB 4.3Å; D81-Q88 PolarHBondContact N-O 3.1Å; D81-Q88 PolarHBondContact O-N 3.47Å
82K92.3Very high96.4Very high84 Ų8443.3 Ų43.337%0.36522%0.22SC..EExtended strand (participates in β ladder)trans-89.9133.3178.5179.6170.5178.6172.50111.2I87 D113 V116K82-I87 HydrophobicContact CG-CG1 4.23Å; K82-D113 IonicContact NZ-OD1 2.57Å; K82-D113 PolarHBondContact NZ-OD1 3.49Å; K82-V116 HydrophobicContact CD-CG2 3.73Å
83S91.3Very high96.4Very high57 Ų5744 Ų4440%0.39922%0.223SC..  trans-117.6176168.8-67.90000110.4T85 N86S83-T85 VanDerWaalsContact C-N 3.32Å; S83-T85 PolarHBondContact O-N 3.42Å; S83-N86 CarbonylContact C-O 3.58Å; S83-N86 WeakPolarHBondContact CA-O 3.37Å; S83-N86 PolarHBondContact N-O 3.42Å
84M87.5Confident96.4Very high172 Ų17249.4 Ų49.485%0.84725%0.25SC*.SBendtrans-59.7-39.6178-74.8-169.9-83.800113.1V105 T107M84-V105 WeakPolarHBondContact O-CG2 3.31Å; M84-T107 WeakPolarHBondContact O-CG2 3.28Å
85T89.2Confident96.4Very high70 Ų7051.8 Ų51.843%0.42926%0.264SS..SBendtrans-108.5-7.8-172.458.30000114S83 W104 V105S83-T85 VanDerWaalsContact C-N 3.32Å; S83-T85 PolarHBondContact O-N 3.42Å; T85-W104 VanDerWaalsContact O-CE3 3.27Å; T85-V105 PolarHBondContact O-N 3.41Å
86N92.6Very high96.3Very high11 Ų1153.6 Ų53.66%0.05928%0.283CS..EExtended strand (participates in β ladder)trans-156.5160.5-178.158.591.3000112.5S83 Q88 K102 Q103 W104S83-N86 CarbonylContact C-O 3.58Å; S83-N86 WeakPolarHBondContact CA-O 3.37Å; S83-N86 PolarHBondContact N-O 3.42Å; N86-Q88 PolarHBondContact OD1-NE2 3.21Å; N86-K102 HydrophobicContact CB-CG 4.15Å; N86-K102 VanDerWaalsContact CG-CE 3.47Å; N86-Q103 CarbonylContact C-O 3.57Å; N86-Q103 WeakPolarHBondContact CA-O 3.29Å; N86-Q103 VanDerWaalsContact CB-O 3.27Å; N86-Q103 WeakPolarHBondContact CB-O 3.26Å; N86-W104 HydrophobicContact CB-CE3 4.05Å; N86-W104 HydrophobicContact CB-CZ3 4.41Å
87I95.2Very high96.2Very high0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-112.8133.7166.2-54.2160.1000107.6T80 K82 Y89 Q103 V105 V116T80-I87 HydrophobicContact CG2-CG2 3.9Å; K82-I87 HydrophobicContact CG-CG1 4.23Å; I87-Y89 HydrophobicContact CB-CE2 4.14Å; I87-Y89 HydrophobicContact CG2-CD1 4.28Å; I87-Y89 HydrophobicContact CG2-CD2 4.24Å; I87-Y89 HydrophobicContact CG2-CE1 3.69Å; I87-Y89 HydrophobicContact CG2-CE2 3.65Å; I87-Q103 PolarHBondContact N-O 2.89Å; I87-Q103 PolarHBondContact O-N 3.14Å; I87-V105 HydrophobicContact CD1-CG1 3.61Å; I87-V105 HydrophobicContact CG1-CG1 3.7Å; I87-V116 HydrophobicContact CD1-CG2 3.91Å; I87-V116 HydrophobicContact CG2-CG1 4.49Å
88Q97.6Very high96.2Very high81 Ų8158.3 Ų58.338%0.37932%0.321SS..EExtended strand (participates in β ladder)trans-111.2127.8174.8-70.7171.658.500109.3T80 D81 N86 V101 K102T80-Q88 CarbonylContact C-O 3.49Å; T80-Q88 WeakPolarHBondContact CA-O 3.34Å; D81-Q88 HydrophobicContact CB-CB 4.3Å; D81-Q88 PolarHBondContact N-O 3.1Å; D81-Q88 PolarHBondContact O-N 3.47Å; N86-Q88 PolarHBondContact OD1-NE2 3.21Å; Q88-V101 CarbonylContact C-O 3.49Å; Q88-V101 WeakPolarHBondContact CA-O 3.32Å; Q88-K102 HydrophobicContact CG-CG 4.34Å
89Y98.7Very high96.2Very high2 Ų252.5 Ų52.51%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-115.8147.5175.7-56.7-76.6000109.7I77 S79 T80 I87 V101 Q103 L117 V143I77-Y89 HydrophobicContact CD1-CD1 3.77Å; I77-Y89 HydrophobicContact CD1-CE1 3.97Å; I77-Y89 HydrophobicContact CD1-CG 4.47Å; I77-Y89 HydrophobicContact CG1-CD1 4.34Å; I77-Y89 HydrophobicContact CG2-CD1 4.07Å; S79-Y89 WeakPolarHBondContact O-CA 3.28Å; T80-Y89 HydrophobicContact CG2-CD1 3.8Å; T80-Y89 HydrophobicContact CG2-CE1 3.51Å; T80-Y89 WeakPolarHBondContact OG1-CD1 3.2Å; I87-Y89 HydrophobicContact CB-CE2 4.14Å; I87-Y89 HydrophobicContact CG2-CD1 4.28Å; I87-Y89 HydrophobicContact CG2-CD2 4.24Å; I87-Y89 HydrophobicContact CG2-CE1 3.69Å; I87-Y89 HydrophobicContact CG2-CE2 3.65Å; Y89-V101 PolarHBondContact N-O 3.3Å; Y89-V101 PolarHBondContact O-N 3.18Å; Y89-Q103 HydrophobicContact CE2-CB 4.46Å; Y89-L117 HydrophobicContact CE1-CB 4.17Å; Y89-L117 WeakPolarHBondContact CE1-O 3.42Å; Y89-L117 PolarHBondContact OH-N 3.34Å; Y89-V143 HydrophobicContact CD2-CG1 4.45Å; Y89-V143 HydrophobicContact CD2-CG2 4.45Å; Y89-V143 HydrophobicContact CE2-CB 4.47Å; Y89-V143 HydrophobicContact CE2-CG1 4.16Å; Y89-V143 HydrophobicContact CE2-CG2 4.25Å
90K98.8Very high96.2Very high86 Ų8653 Ų5337%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-103111.4161.4-70.5-169.1177.9-171.60109.3R78 S79 P98 M99 D100R78-K90 HydrophobicContact CB-CB 4.28Å; R78-K90 PolarHBondContact N-O 3.41Å; S79-K90 PolarHBondContact O-N 2.88Å; S79-K90 WeakPolarHBondContact OG-CB 3.3Å; S79-K90 WeakPolarHBondContact OG-CD 3.5Å; S79-K90 VanDerWaalsContact OG-CG 3.31Å; S79-K90 WeakPolarHBondContact OG-CG 3.43Å; K90-P98 HydrophobicContact CB-CB 4.04Å; K90-M99 WeakPolarHBondContact CA-O 3.49Å; K90-D100 WeakPolarHBondContact CE-OD1 3.31Å; K90-D100 WeakPolarHBondContact CG-OD1 3.31Å
91V98.9Very high96.2Very high0 Ų051.4 Ų51.40%029%0.29CS..EExtended strand (participates in β ladder)trans-106127.3-175.2-178.40000110I73 P98 M99 V101 V123 V125I73-V91 HydrophobicContact CD1-CB 4.29Å; I73-V91 HydrophobicContact CD1-CG1 4.13Å; V91-P98 CarbonylContact O-C 3.57Å; V91-P98 WeakPolarHBondContact O-CA 3.28Å; V91-M99 PolarHBondContact N-O 2.89Å; V91-M99 PolarHBondContact O-N 2.8Å; V91-V101 HydrophobicContact CB-CG2 4.05Å; V91-V101 HydrophobicContact CG2-CB 4.24Å; V91-V101 HydrophobicContact CG2-CG2 3.67Å; V91-V123 HydrophobicContact CG1-CG2 4.2Å; V91-V123 HydrophobicContact CG2-CG2 4.18Å; V91-V125 HydrophobicContact CG2-CG2 4.23Å
92D98.8Very high96.3Very high15 Ų1549.7 Ų49.78%0.0828%0.278CS..EExtended strand (participates in β ladder)trans-118.5123.1-176.2-177.78.2000111.1G75 I76 R78 M94 P98G75-D92 CarbonylContact C-O 3.53Å; G75-D92 VanDerWaalsContact CA-O 3.23Å; G75-D92 WeakPolarHBondContact CA-O 3.34Å; I76-D92 HydrophobicContact CG2-CB 4.17Å; I76-D92 PolarHBondContact N-O 3.41Å; I76-D92 PolarHBondContact O-N 2.93Å; R78-D92 HydrophobicContact CG-CB 3.58Å; R78-D92 IonicContact CZ-OD2 2.83Å; R78-D92 IonicContact NE-OD2 3.93Å; R78-D92 PolarHBondContact NE-OD2 2.91Å; R78-D92 IonicContact NH2-OD2 2.78Å; R78-D92 PolarHBondContact NH2-OD2 3.32Å; D92-M94 WeakPolarHBondContact OD1-CA 3.49Å; D92-M94 PolarHBondContact OD1-N 2.9Å; D92-P98 HydrophobicContact CB-CB 4.22Å; D92-P98 HydrophobicContact CB-CG 4.07Å
93D98.5Very high96.4Very high29 Ų2947.5 Ų47.516%0.15527%0.269CS..  trans-108.69.9176.376.8-10.7000113T47 V48 V74 T95T47-D93 WeakPolarHBondContact CA-OD2 3.32Å; T47-D93 WeakPolarHBondContact CB-OD2 3.25Å; V48-D93 WeakPolarHBondContact CB-OD1 3.4Å; V48-D93 HydrophobicContact CG2-CB 4.2Å; V48-D93 PolarHBondContact N-OD2 3.18Å; V74-D93 VanDerWaalsContact O-CB 3.32Å; V74-D93 WeakPolarHBondContact O-CB 3.27Å; D93-T95 VanDerWaalsContact CG-OG1 3.25Å; D93-T95 PolarHBondContact O-N 3.24Å; D93-T95 WeakPolarHBondContact OD1-CB 3.45Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.29Å; D93-T95 PolarHBondContact OD1-N 2.8Å; D93-T95 PolarHBondContact OD1-OG1 3.1Å; D93-T95 PolarHBondContact OD2-OG1 3.3Å
94M98.4Very high96.4Very high113 Ų11351.8 Ų51.856%0.55728%0.276SS*.SBendtrans69.75.2-177.2-43.8-65.4143.600115.8I76 D92I76-M94 HydrophobicContact CG2-CE 3.76Å; D92-M94 WeakPolarHBondContact OD1-CA 3.49Å; D92-M94 PolarHBondContact OD1-N 2.9Å
95T98.5Very high96.4Very high60 Ų6044.7 Ų44.737%0.36824%0.243SC..SBendtrans-92.9-14.3179.770.40000113.5T47 V48 S49 D93T47-T95 HydrophobicContact CG2-CG2 3.88Å; V48-T95 PolarHBondContact N-OG1 3.14Å; S49-T95 VanDerWaalsContact CB-O 3.3Å; S49-T95 WeakPolarHBondContact CB-O 3.24Å; S49-T95 WeakPolarHBondContact CB-OG1 3.27Å; S49-T95 PolarHBondContact N-OG1 2.9Å; S49-T95 WeakPolarHBondContact OG-CB 3.45Å; S49-T95 PolarHBondContact OG-OG1 3.47Å; D93-T95 VanDerWaalsContact CG-OG1 3.25Å; D93-T95 PolarHBondContact O-N 3.24Å; D93-T95 WeakPolarHBondContact OD1-CB 3.45Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.29Å; D93-T95 PolarHBondContact OD1-N 2.8Å; D93-T95 PolarHBondContact OD1-OG1 3.1Å; D93-T95 PolarHBondContact OD2-OG1 3.3Å
96G96.3Very high96Very high40 Ų4046.1 Ų46.141%0.41225%0.248SC..SBendtrans-167.4-162.4179.800000112.5
97A97.7Very high95.2Very high70 Ų7050.4 Ų50.458%0.57928%0.275SS*.SBendtrans-66.6147.7169.900000110.3V48 M99V48-A97 VanDerWaalsContact CG1-O 3.26Å; V48-A97 WeakPolarHBondContact CG1-O 3.37Å; A97-M99 PolarHBondContact O-N 3.46Å
98P98.6Very high94.3Very high52 Ų5258.5 Ų58.534%0.33831%0.312SS..PPolyproline II helixtrans-54135.5-179.6-25.933.6000112.7R78 K90 V91 D92R78-P98 HydrophobicContact CG-CB 4.46Å; R78-P98 HydrophobicContact CG-CG 4.16Å; K90-P98 HydrophobicContact CB-CB 4.04Å; V91-P98 CarbonylContact O-C 3.57Å; V91-P98 WeakPolarHBondContact O-CA 3.28Å; D92-P98 HydrophobicContact CB-CB 4.22Å; D92-P98 HydrophobicContact CB-CG 4.07Å
99M98.5Very high93.3Very high2 Ų258.1 Ų58.11%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-81.6134.2178.8179.167.276.400110.7V48 L51 M52 I73 K90 V91 A97 V101 V138V48-M99 HydrophobicContact CG1-CB 3.98Å; V48-M99 HydrophobicContact CG1-CE 4.28Å; V48-M99 HydrophobicContact CG2-CB 3.92Å; L51-M99 HydrophobicContact CB-CE 3.5Å; L51-M99 VanDerWaalsContact CB-CE 3.5Å; L51-M99 HydrophobicContact CD1-CE 3.89Å; L51-M99 HydrophobicContact CG-CE 4.33Å; M52-M99 HydrophobicContact CG-CE 4.01Å; M52-M99 HydrophobicContact SD-CE 3.72Å; M52-M99 HydrophobicContact SD-SD 4.1Å; I73-M99 HydrophobicContact CD1-CB 4.43Å; I73-M99 HydrophobicContact CD1-CG 4.38Å; K90-M99 WeakPolarHBondContact CA-O 3.49Å; V91-M99 PolarHBondContact N-O 2.89Å; V91-M99 PolarHBondContact O-N 2.8Å; A97-M99 PolarHBondContact O-N 3.46Å; M99-V101 HydrophobicContact CG-CG2 4.27Å; M99-V101 PolarHBondContact O-N 2.7Å; M99-V138 HydrophobicContact CG-CG2 4.08Å; M99-V138 HydrophobicContact SD-CG2 4.38Å
100D98.6Very high91.9Very high41 Ų4163.9 Ų63.922%0.21935%0.35CS..EExtended strand (participates in β ladder)trans-75122.2170.3-70.2-57.1000110.2K90 H135 S137 V138K90-D100 WeakPolarHBondContact CE-OD1 3.31Å; K90-D100 WeakPolarHBondContact CG-OD1 3.31Å; D100-H135 IonicContact OD2-CE1 3.17Å; D100-H135 PolarHBondContact OD2-CE1 2.99Å; D100-H135 IonicContact OD2-NE2 3.53Å; D100-H135 PolarHBondContact OD2-NE2 3.01Å; D100-S137 CarbonylContact O-C 3.52Å; D100-S137 WeakPolarHBondContact O-CA 3.24Å; D100-S137 VanDerWaalsContact O-CB 3.24Å; D100-S137 WeakPolarHBondContact O-CB 3.23Å; D100-V138 PolarHBondContact O-N 3.04Å
101V98.7Very high90.7Very high1 Ų162.1 Ų62.11%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-121.2120.7-178.5179.50000109.1I73 Q88 Y89 V91 M99 V125 V138 A140 V143I73-V101 HydrophobicContact CD1-CG2 4.2Å; Q88-V101 CarbonylContact C-O 3.49Å; Q88-V101 WeakPolarHBondContact CA-O 3.32Å; Y89-V101 PolarHBondContact N-O 3.3Å; Y89-V101 PolarHBondContact O-N 3.18Å; V91-V101 HydrophobicContact CB-CG2 4.05Å; V91-V101 HydrophobicContact CG2-CB 4.24Å; V91-V101 HydrophobicContact CG2-CG2 3.67Å; M99-V101 HydrophobicContact CG-CG2 4.27Å; M99-V101 PolarHBondContact O-N 2.7Å; V101-V125 HydrophobicContact CG1-CG1 3.63Å; V101-V125 HydrophobicContact CG1-CG2 4.33Å; V101-V125 HydrophobicContact CG2-CG1 4.42Å; V101-V138 CarbonylContact C-O 3.57Å; V101-V138 VanDerWaalsContact CA-O 3.31Å; V101-V138 WeakPolarHBondContact CA-O 3.25Å; V101-V138 HydrophobicContact CG2-CB 4.31Å; V101-A140 HydrophobicContact CG1-CB 3.77Å; V101-V143 HydrophobicContact CG1-CG2 4.4Å
102K97.4Very high89.4Confident58 Ų5863 Ų6325%0.25235%0.354SS..EExtended strand (participates in β ladder)trans-110.1122.8179.7-175.9178.1-178175.60110.8N86 Q88 W104 V138 V139 A140N86-K102 HydrophobicContact CB-CG 4.15Å; N86-K102 VanDerWaalsContact CG-CE 3.47Å; Q88-K102 HydrophobicContact CG-CG 4.34Å; K102-W104 HydrophobicContact CD-CZ2 4.34Å; K102-W104 VanDerWaalsContact NZ-CZ2 3.26Å; K102-V138 PolarHBondContact N-O 3.49Å; K102-V139 CarbonylContact O-C 3.6Å; K102-V139 WeakPolarHBondContact O-CA 3.29Å; K102-A140 PolarHBondContact O-N 2.64Å
103Q95.2Very high88Confident38 Ų3868.1 Ų68.118%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-110.6125172.4-174.9178.113.900109.2N86 I87 Y89 V143N86-Q103 CarbonylContact C-O 3.57Å; N86-Q103 WeakPolarHBondContact CA-O 3.29Å; N86-Q103 VanDerWaalsContact CB-O 3.27Å; N86-Q103 WeakPolarHBondContact CB-O 3.26Å; I87-Q103 PolarHBondContact N-O 2.89Å; I87-Q103 PolarHBondContact O-N 3.14Å; Y89-Q103 HydrophobicContact CE2-CB 4.46Å; Q103-V143 HydrophobicContact CB-CG2 4.37Å
104W91.1Very high86.7Confident146 Ų14672 Ų7255%0.55341%0.411SS*.EExtended strand (participates in β ladder)trans-74.3141.3172.1-65.4104000109.8T85 N86 K102T85-W104 VanDerWaalsContact O-CE3 3.27Å; N86-W104 HydrophobicContact CB-CE3 4.05Å; N86-W104 HydrophobicContact CB-CZ3 4.41Å; K102-W104 HydrophobicContact CD-CZ2 4.34Å; K102-W104 VanDerWaalsContact NZ-CZ2 3.26Å
105V86.7Confident85.8Confident24 Ų2469.7 Ų69.715%0.14540%0.403CS..  trans-113.2143.7175.7-61.90000110M84 T85 I87 T107 V112M84-V105 WeakPolarHBondContact O-CG2 3.31Å; T85-V105 PolarHBondContact O-N 3.41Å; I87-V105 HydrophobicContact CD1-CG1 3.61Å; I87-V105 HydrophobicContact CG1-CG1 3.7Å; V105-T107 PolarHBondContact O-N 3.26Å; V105-V112 HydrophobicContact CB-CG1 3.61Å; V105-V112 HydrophobicContact CB-CG2 4.15Å; V105-V112 HydrophobicContact CG1-CG1 3.54Å; V105-V112 HydrophobicContact CG2-CG1 4.05Å
106D81.7Confident85.5Confident99 Ų9968.8 Ų68.853%0.52940%0.398SS..  trans-78.9116.4169.5-167.7-20.6000108.7E108 D109 V112D106-E108 PolarHBondContact O-N 2.81Å; D106-E108 PolarHBondContact OD1-N 3.13Å; D106-D109 HydrophobicContact CB-CB 4.17Å; D106-D109 PolarHBondContact O-N 3.39Å; D106-V112 WeakPolarHBondContact O-CG2 3.41Å
107T76.4Confident85.5Confident102 Ų10268.1 Ų68.163%0.62638%0.384SS*.THydrogen-bonded Turntrans-67.5-15.7-178.546.50000113.4M84 V105M84-T107 WeakPolarHBondContact O-CG2 3.28Å; V105-T107 PolarHBondContact O-N 3.26Å
108E75.8Confident85.4Confident170 Ų17068.2 Ų68.279%0.79438%0.38SS*.THydrogen-bonded Turntrans-90.5-12.9179.5-58.6-171.6172.500112.7D106 P110D106-E108 PolarHBondContact O-N 2.81Å; D106-E108 PolarHBondContact OD1-N 3.13Å; E108-P110 VanDerWaalsContact O-CD 3.27Å; E108-P110 WeakPolarHBondContact O-CD 3.42Å
109D75.9Confident85.4Confident72 Ų7269.5 Ų69.539%0.38539%0.388SS..  trans-87110.3179.2-175.3-8.2000110.9D106 S111 V112D106-D109 HydrophobicContact CB-CB 4.17Å; D106-D109 PolarHBondContact O-N 3.39Å; D109-S111 PolarHBondContact O-N 3.4Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD1-CB 3.23Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 2.88Å; D109-S111 PolarHBondContact OD1-OG 3.03Å; D109-S111 PolarHBondContact OD2-OG 3.42Å; D109-V112 HydrophobicContact CB-CG2 4.01Å; D109-V112 VanDerWaalsContact O-CG2 3.23Å; D109-V112 WeakPolarHBondContact O-CG2 3.41Å; D109-V112 PolarHBondContact O-N 2.73Å
110P69.6Low85.4Confident123 Ų12371.7 Ų71.780%0.79941%0.411SS*.G310 helixtrans-68.1-12.118029.1-34.8000113.2E108 V112E108-P110 VanDerWaalsContact O-CD 3.27Å; E108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-V112 VanDerWaalsContact C-N 3.28Å; P110-V112 PolarHBondContact O-N 3.32Å
111S74.4Confident85.4Confident50 Ų5071.4 Ų71.435%0.3541%0.41SS..G310 helixtrans-78.3-9.217977.40000113.8D109 D113 S114 T115D109-S111 PolarHBondContact O-N 3.4Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD1-CB 3.23Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 2.88Å; D109-S111 PolarHBondContact OD1-OG 3.03Å; D109-S111 PolarHBondContact OD2-OG 3.42Å; S111-D113 VanDerWaalsContact C-N 3.26Å; S111-D113 PolarHBondContact O-N 3.09Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-S114 WeakPolarHBondContact O-CA 3.17Å; S111-S114 WeakPolarHBondContact O-CB 3.43Å; S111-S114 PolarHBondContact O-N 3.01Å; S111-T115 PolarHBondContact O-N 2.82Å
112V69.8Low85.4Confident17 Ų1775 Ų7510%0.10343%0.425CS..G310 helixtrans-59.7-30.7-174.8174.20000113.6V105 D106 D109 P110 S114 T115 V116V105-V112 HydrophobicContact CB-CG1 3.61Å; V105-V112 HydrophobicContact CB-CG2 4.15Å; V105-V112 HydrophobicContact CG1-CG1 3.54Å; V105-V112 HydrophobicContact CG2-CG1 4.05Å; D106-V112 WeakPolarHBondContact O-CG2 3.41Å; D109-V112 HydrophobicContact CB-CG2 4.01Å; D109-V112 VanDerWaalsContact O-CG2 3.23Å; D109-V112 WeakPolarHBondContact O-CG2 3.41Å; D109-V112 PolarHBondContact O-N 2.73Å; P110-V112 VanDerWaalsContact C-N 3.28Å; P110-V112 PolarHBondContact O-N 3.32Å; V112-S114 VanDerWaalsContact C-N 3.28Å; V112-S114 PolarHBondContact O-N 2.79Å; V112-T115 WeakPolarHBondContact CA-OG1 3.45Å; V112-T115 PolarHBondContact O-N 2.9Å; V112-T115 PolarHBondContact O-OG1 3.1Å; V112-V116 WeakPolarHBondContact O-CG2 3.15Å
113D70.4Confident85.4Confident124 Ų12472.2 Ų72.266%0.66341%0.413SS*.G310 helixtrans-66.3-32.4172.9-80.1-38.1000112.4K82 S111 T115K82-D113 IonicContact NZ-OD1 2.57Å; K82-D113 PolarHBondContact NZ-OD1 3.49Å; S111-D113 VanDerWaalsContact C-N 3.26Å; S111-D113 PolarHBondContact O-N 3.09Å; S111-D113 VanDerWaalsContact O-N 3.16Å; D113-T115 VanDerWaalsContact C-N 3.32Å
114S71.4Confident85.6Confident109 Ų10972 Ų7276%0.76241%0.411SS*.THydrogen-bonded Turntrans-79.6-14.5179.7-55.70000113S111 V112S111-S114 WeakPolarHBondContact O-CA 3.17Å; S111-S114 WeakPolarHBondContact O-CB 3.43Å; S111-S114 PolarHBondContact O-N 3.01Å; V112-S114 VanDerWaalsContact C-N 3.28Å; V112-S114 PolarHBondContact O-N 2.79Å
115T78.6Confident86Confident65 Ų6565.1 Ų65.140%0.39939%0.385SS..THydrogen-bonded Turntrans-96-4.8-179610000113.7S111 V112 D113 L117S111-T115 PolarHBondContact O-N 2.82Å; V112-T115 WeakPolarHBondContact CA-OG1 3.45Å; V112-T115 PolarHBondContact O-N 2.9Å; V112-T115 PolarHBondContact O-OG1 3.1Å; D113-T115 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 2.91Å
116V92.3Very high86.5Confident41 Ų4165 Ų6525%0.24839%0.385CS..PPolyproline II helixtrans-70.6119.2176.8-172.70000109.9T80 K82 I87 V112T80-V116 HydrophobicContact CG2-CG1 3.54Å; K82-V116 HydrophobicContact CD-CG2 3.73Å; I87-V116 HydrophobicContact CD1-CG2 3.91Å; I87-V116 HydrophobicContact CG2-CG1 4.49Å; V112-V116 WeakPolarHBondContact O-CG2 3.15Å
117L95.8Very high87.3Confident26 Ų2660.3 Ų60.314%0.13636%0.36CS..PPolyproline II helixtrans-88.6130.8179.4-58.9176.9000111I77 T80 Y89 T115 V123 V143 P145I77-L117 HydrophobicContact CD1-CB 3.53Å; I77-L117 HydrophobicContact CD1-CD1 4.43Å; T80-L117 PolarHBondContact OG1-O 3.28Å; Y89-L117 HydrophobicContact CE1-CB 4.17Å; Y89-L117 WeakPolarHBondContact CE1-O 3.42Å; Y89-L117 PolarHBondContact OH-N 3.34Å; T115-L117 PolarHBondContact O-N 2.91Å; L117-V123 HydrophobicContact CD1-CG1 3.53Å; L117-V143 HydrophobicContact CD1-CG1 3.89Å; L117-P145 HydrophobicContact CD2-CB 4.42Å; L117-P145 HydrophobicContact CD2-CG 4.24Å
118P96.7Very high88.2Confident73 Ų7357.2 Ų57.247%0.47434%0.34SS..PPolyproline II helixtrans-77.2161.7-177.831.1-34.6000112.6T121P118-T121 WeakPolarHBondContact O-CB 3.47Å; P118-T121 PolarHBondContact O-N 3.36Å; P118-T121 PolarHBondContact O-OG1 3.28Å
119P98.4Very high89.3Confident78 Ų7849.1 Ų49.151%0.50630%0.302SS..THydrogen-bonded Turntrans-55.4145.1167.1-24.535.1000112.3I77I77-P119 WeakPolarHBondContact O-CA 3.28Å
120G98.4Very high90.2Very high48 Ų4851.6 Ų51.650%0.49531%0.306SS..THydrogen-bonded Turntrans91.4-10.4-175.700000114.4I77I77-G120 PolarHBondContact O-N 3.44Å
121T98.5Very high91.3Very high35 Ų3547.3 Ų47.322%0.21528%0.279CS..  trans-80.8130.3176.1-58.90000111.1I77 P118 V123 P145I77-T121 PolarHBondContact N-O 2.88Å; P118-T121 WeakPolarHBondContact O-CB 3.47Å; P118-T121 PolarHBondContact O-N 3.36Å; P118-T121 PolarHBondContact O-OG1 3.28Å; T121-V123 HydrophobicContact CG2-CG1 4.07Å; T121-P145 HydrophobicContact CG2-CB 3.91Å
122Y98.8Very high92Very high77 Ų7751.9 Ų51.930%0.30229%0.293SS..EExtended strand (participates in β ladder)trans-76.8134.4167.5-84.2-86.7000110.3G75 I76 P145 L146 M149 I152G75-Y122 CarbonylContact O-C 3.48Å; G75-Y122 WeakPolarHBondContact O-CA 3.35Å; I76-Y122 HydrophobicContact CB-CD1 4.15Å; I76-Y122 HydrophobicContact CB-CD2 4.46Å; I76-Y122 HydrophobicContact CB-CE1 3.94Å; I76-Y122 HydrophobicContact CB-CE2 4.27Å; I76-Y122 HydrophobicContact CB-CG 4.42Å; I76-Y122 HydrophobicContact CD1-CD2 4.37Å; I76-Y122 HydrophobicContact CD1-CE2 3.91Å; I76-Y122 HydrophobicContact CG1-CD2 4.33Å; I76-Y122 HydrophobicContact CG1-CE2 4.25Å; Y122-P145 CarbonylContact O-C 3.54Å; Y122-P145 WeakPolarHBondContact O-CA 3.28Å; Y122-L146 PolarHBondContact O-N 2.99Å; Y122-M149 HydrophobicContact CD2-CE 3.59Å; Y122-M149 HydrophobicContact CD2-SD 4.22Å; Y122-M149 HydrophobicContact CE2-CE 3.71Å; Y122-M149 HydrophobicContact CG-CE 4.03Å; Y122-M149 HydrophobicContact CG-SD 4.38Å; Y122-I152 HydrophobicContact CD1-CD1 3.58Å; Y122-I152 HydrophobicContact CD1-CG1 4.31Å; Y122-I152 HydrophobicContact CE1-CD1 3.57Å; Y122-I152 HydrophobicContact CG-CD1 4.11Å
123V98.8Very high92.9Very high0 Ų059.2 Ų59.20%033%0.326CS..EExtended strand (participates in β ladder)trans-134.2148-176.3-64.50000112.6V74 G75 I77 V91 L117 T121 V125 V143 R144V74-V123 VanDerWaalsContact CA-O 3.32Å; V74-V123 WeakPolarHBondContact CA-O 3.34Å; G75-V123 PolarHBondContact N-O 3.31Å; G75-V123 VanDerWaalsContact N-O 3.1Å; G75-V123 PolarHBondContact O-N 3.46Å; I77-V123 HydrophobicContact CD1-CG1 3.67Å; I77-V123 HydrophobicContact CD1-CG2 4.38Å; I77-V123 HydrophobicContact CG1-CG1 4.03Å; I77-V123 HydrophobicContact CG1-CG2 3.95Å; V91-V123 HydrophobicContact CG1-CG2 4.2Å; V91-V123 HydrophobicContact CG2-CG2 4.18Å; L117-V123 HydrophobicContact CD1-CG1 3.53Å; T121-V123 HydrophobicContact CG2-CG1 4.07Å; V123-V125 HydrophobicContact CG2-CG2 3.89Å; V123-V143 HydrophobicContact CB-CG1 4.17Å; V123-V143 HydrophobicContact CG1-CG1 4.19Å; V123-V143 HydrophobicContact CG2-CG1 4.41Å; V123-R144 CarbonylContact C-O 3.58Å; V123-R144 WeakPolarHBondContact CA-O 3.49Å; V123-R144 WeakPolarHBondContact CB-O 3.42Å
124K98.7Very high93.6Very high34 Ų3460 Ų6015%0.14833%0.33CS..EExtended strand (participates in β ladder)trans-98.7122.3160.4-169.5166.5-164.6162.40107.5V74 R144 L146 E158V74-K124 HydrophobicContact CG2-CB 3.95Å; V74-K124 HydrophobicContact CG2-CD 4.13Å; V74-K124 HydrophobicContact CG2-CG 3.75Å; K124-R144 HydrophobicContact CB-CG 4.03Å; K124-R144 VanDerWaalsContact CD-NH2 3.27Å; K124-R144 PolarHBondContact N-O 3.37Å; K124-R144 PolarHBondContact O-N 3.24Å; K124-L146 HydrophobicContact CB-CD1 3.96Å; K124-E158 IonicContact NZ-OE2 3.14Å; K124-E158 PolarHBondContact NZ-OE2 2.84Å
125V98.8Very high94.6Very high1 Ų159.3 Ų59.31%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-108.1130.3178.5177.70000108.1T72 I73 V91 V101 V123 V138 A140 S142 V143T72-V125 CarbonylContact C-O 3.55Å; T72-V125 WeakPolarHBondContact CA-O 3.49Å; I73-V125 HydrophobicContact CD1-CB 4.41Å; I73-V125 HydrophobicContact CG1-CB 3.71Å; I73-V125 HydrophobicContact CG1-CG1 4.33Å; I73-V125 HydrophobicContact CG1-CG2 4.21Å; I73-V125 PolarHBondContact N-O 2.91Å; I73-V125 PolarHBondContact O-N 3.33Å; V91-V125 HydrophobicContact CG2-CG2 4.23Å; V101-V125 HydrophobicContact CG1-CG1 3.63Å; V101-V125 HydrophobicContact CG1-CG2 4.33Å; V101-V125 HydrophobicContact CG2-CG1 4.42Å; V123-V125 HydrophobicContact CG2-CG2 3.89Å; V125-V138 HydrophobicContact CG1-CG1 4.08Å; V125-A140 HydrophobicContact CG1-CB 3.86Å; V125-S142 WeakPolarHBondContact CA-O 3.21Å; V125-V143 HydrophobicContact CG1-CG2 4.44Å; V125-V143 HydrophobicContact CG2-CG1 4.25Å; V125-V143 HydrophobicContact CG2-CG2 4.41Å
126S98.3Very high95.4Very high21 Ų2157.2 Ų57.215%0.14730%0.299CS..EExtended strand (participates in β ladder)trans-118.8126.2169.1-53.90000109.2V71 T72 A140 F141 S142V71-S126 WeakPolarHBondContact O-CA 3.46Å; T72-S126 WeakPolarHBondContact CG2-OG 3.22Å; S126-A140 WeakPolarHBondContact O-CA 3.35Å; S126-F141 VanDerWaalsContact CB-CE2 3.49Å; S126-F141 PolarHBondContact O-N 2.89Å; S126-S142 PolarHBondContact N-O 2.71Å; S126-S142 PolarHBondContact O-N 3.36Å; S126-S142 VanDerWaalsContact O-N 3.15Å
127G97.3Very high95.6Very high0 Ų056.5 Ų56.50%030%0.296CS..EExtended strand (participates in β ladder)trans-168.1-178.7-172.100000114.9Q70 V71 V139Q70-G127 CarbonylContact C-O 3.51Å; Q70-G127 WeakPolarHBondContact CA-O 3.44Å; V71-G127 PolarHBondContact N-O 2.91Å; V71-G127 PolarHBondContact O-N 3.45Å; G127-V139 CarbonylContact C-O 3.56Å; G127-V139 WeakPolarHBondContact CA-O 3.44Å
128N96.6Very high95.8Very high38 Ų3855.3 Ų55.320%0.20329%0.29CS..EExtended strand (participates in β ladder)trans-99.4129.3176.4-67.2-89.6000109.9T69 Q70 V138 V139T69-N128 WeakPolarHBondContact O-CA 3.24Å; Q70-N128 WeakPolarHBondContact CG-OD1 3.46Å; N128-V138 WeakPolarHBondContact O-CA 3.49Å; N128-V139 PolarHBondContact N-O 3.41Å; N128-V139 PolarHBondContact O-N 3.28Å
129L97.2Very high95.8Very high0 Ų053.5 Ų53.50%028%0.277CS..EExtended strand (participates in β ladder)trans-68.5134.5170.1-175.963.9000109.6L51 F61 V68 T69L51-L129 HydrophobicContact CB-CD1 4.25Å; L51-L129 HydrophobicContact CD2-CD2 4.16Å; F61-L129 HydrophobicContact CB-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CG 4.43Å; F61-L129 HydrophobicContact CD2-CB 4.35Å; F61-L129 HydrophobicContact CD2-CD2 3.73Å; F61-L129 HydrophobicContact CD2-CG 4.01Å; F61-L129 HydrophobicContact CE1-CD2 4.27Å; F61-L129 HydrophobicContact CE1-CG 4.47Å; F61-L129 HydrophobicContact CE2-CB 4.5Å; F61-L129 HydrophobicContact CE2-CD2 4.24Å; F61-L129 HydrophobicContact CE2-CG 4.07Å; F61-L129 HydrophobicContact CG-CD2 3.47Å; F61-L129 VanDerWaalsContact CG-CD2 3.47Å; F61-L129 HydrophobicContact CG-CG 4.2Å; F61-L129 HydrophobicContact CZ-CD2 4.49Å; F61-L129 HydrophobicContact CZ-CG 4.31Å; V68-L129 HydrophobicContact CG2-CD2 4.18Å; T69-L129 PolarHBondContact O-N 2.92Å
130R95.2Very high95.7Very high123 Ų12350.1 Ų50.146%0.46426%0.256SS..EExtended strand (participates in β ladder)trans-133.8153.5176.8-66.2-65.6-178.5-113.67109.9R136 S137 V139R130-R136 VanDerWaalsContact O-CA 3.31Å; R130-R136 WeakPolarHBondContact O-CA 3.46Å; R130-S137 PolarHBondContact N-O 2.98Å; R130-S137 PolarHBondContact O-N 2.83Å; R130-V139 HydrophobicContact CB-CG2 4.49Å; R130-V139 HydrophobicContact CG-CG2 3.77Å
131S93.4Very high95.5Very high33 Ų3353 Ų5323%0.23126%0.255CS..EExtended strand (participates in β ladder)trans-135.5126.4172.7-178.80000108.1Q56 F61 H135Q56-S131 VanDerWaalsContact OE1-CB 3.28Å; Q56-S131 PolarHBondContact OE1-OG 3.14Å; Q56-S131 VanDerWaalsContact OE1-OG 3.07Å; F61-S131 VanDerWaalsContact CZ-CB 3.5Å; S131-H135 WeakPolarHBondContact CA-O 3.43Å
132F89.3Confident95.3Very high147 Ų14753.5 Ų53.565%0.64526%0.26SS*.EExtended strand (participates in β ladder)trans-132.3124.3174.3-179.6-102.2000108.4N134 H135F132-N134 PolarHBondContact O-N 3.44Å; F132-H135 PolarHBondContact N-O 3.22Å; F132-H135 WeakPolarHBondContact O-CA 3.41Å; F132-H135 VanDerWaalsContact O-CB 3.31Å; F132-H135 WeakPolarHBondContact O-CB 3.33Å; F132-H135 PolarHBondContact O-N 3.47Å
133Q89.1Confident95.2Very high170 Ų17050.7 Ų50.779%0.79425%0.251SS*.THydrogen-bonded Turntrans50.141.7-176.4-62.3179.7-10.900113H135Q133-H135 PolarHBondContact O-N 3.33Å
134N84.1Confident95.1Very high140 Ų14055.1 Ų55.175%0.74927%0.267SS*.THydrogen-bonded Turntrans63.811.8-176.8-15741.6000115.2F132F132-N134 PolarHBondContact O-N 3.44Å
135H91.9Very high95.1Very high96 Ų9656.1 Ų56.144%0.44428%0.277SS..EExtended strand (participates in β ladder)trans-97.3120.8170.7179.467.5000110.1D100 S131 F132 Q133D100-H135 IonicContact OD2-CE1 3.17Å; D100-H135 PolarHBondContact OD2-CE1 2.99Å; D100-H135 IonicContact OD2-NE2 3.53Å; D100-H135 PolarHBondContact OD2-NE2 3.01Å; S131-H135 WeakPolarHBondContact CA-O 3.43Å; F132-H135 PolarHBondContact N-O 3.22Å; F132-H135 WeakPolarHBondContact O-CA 3.41Å; F132-H135 VanDerWaalsContact O-CB 3.31Å; F132-H135 WeakPolarHBondContact O-CB 3.33Å; F132-H135 PolarHBondContact O-N 3.47Å; Q133-H135 PolarHBondContact O-N 3.33Å
136R95.2Very high95.1Very high21 Ų2157.1 Ų57.18%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-96.5137.6-177.1-67.3179.8-179.2-132.9-4.5111.2L51 M52 A54 R130L51-R136 VanDerWaalsContact O-CD 3.3Å; L51-R136 WeakPolarHBondContact O-CD 3.47Å; L51-R136 PolarHBondContact O-NH1 2.9Å; M52-R136 HydrophobicContact SD-CB 3.98Å; A54-R136 PolarHBondContact O-NH1 3.48Å; A54-R136 PolarHBondContact O-NH2 2.91Å; R130-R136 VanDerWaalsContact O-CA 3.31Å; R130-R136 WeakPolarHBondContact O-CA 3.46Å
137S97.8Very high95Very high25 Ų2565.2 Ų65.218%0.17532%0.318CS..EExtended strand (participates in β ladder)trans-148.9162.2178.952.90000110.7D100 R130D100-S137 CarbonylContact O-C 3.52Å; D100-S137 WeakPolarHBondContact O-CA 3.24Å; D100-S137 VanDerWaalsContact O-CB 3.24Å; D100-S137 WeakPolarHBondContact O-CB 3.23Å; R130-S137 PolarHBondContact N-O 2.98Å; R130-S137 PolarHBondContact O-N 2.83Å
138V98.6Very high95Very high1 Ų169 Ų691%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-106.4122.5172.4177.30000109.2L51 V71 M99 D100 V101 K102 V125 N128 A140L51-V138 HydrophobicContact CD1-CG2 4.19Å; V71-V138 HydrophobicContact CG2-CG2 4.28Å; M99-V138 HydrophobicContact CG-CG2 4.08Å; M99-V138 HydrophobicContact SD-CG2 4.38Å; D100-V138 PolarHBondContact O-N 3.04Å; V101-V138 CarbonylContact C-O 3.57Å; V101-V138 VanDerWaalsContact CA-O 3.31Å; V101-V138 WeakPolarHBondContact CA-O 3.25Å; V101-V138 HydrophobicContact CG2-CB 4.31Å; K102-V138 PolarHBondContact N-O 3.49Å; V125-V138 HydrophobicContact CG1-CG1 4.08Å; N128-V138 WeakPolarHBondContact O-CA 3.49Å; V138-A140 PolarHBondContact O-N 2.91Å
139V97.6Very high95.1Very high35 Ų3571.9 Ų71.921%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-88.7102.2168.4-178.50000107.8K102 G127 N128 R130K102-V139 CarbonylContact O-C 3.6Å; K102-V139 WeakPolarHBondContact O-CA 3.29Å; G127-V139 CarbonylContact C-O 3.56Å; G127-V139 WeakPolarHBondContact CA-O 3.44Å; N128-V139 PolarHBondContact N-O 3.41Å; N128-V139 PolarHBondContact O-N 3.28Å; R130-V139 HydrophobicContact CB-CG2 4.49Å; R130-V139 HydrophobicContact CG-CG2 3.77Å
140A97.3Very high95.1Very high7 Ų777 Ų776%0.05838%0.379CS..EExtended strand (participates in β ladder)trans-81.1133.9-173.900000111.8V101 K102 V125 S126 V138 V143V101-A140 HydrophobicContact CG1-CB 3.77Å; K102-A140 PolarHBondContact O-N 2.64Å; V125-A140 HydrophobicContact CG1-CB 3.86Å; S126-A140 WeakPolarHBondContact O-CA 3.35Å; V138-A140 PolarHBondContact O-N 2.91Å; A140-V143 HydrophobicContact CB-CG2 3.61Å
141F93.9Very high95.3Very high109 Ų10973.1 Ų73.148%0.47837%0.367SS..EExtended strand (participates in β ladder)trans-99.6-13.3163.756.1-101000111.4I43 S126I43-F141 HydrophobicContact CD1-CZ 4.01Å; S126-F141 VanDerWaalsContact CB-CE2 3.49Å; S126-F141 PolarHBondContact O-N 2.89Å
142S94.1Very high95.5Very high46 Ų4673.5 Ų73.532%0.32237%0.365SS..EExtended strand (participates in β ladder)trans-144.6129.9172.7-175.10000110.4V125 S126V125-S142 WeakPolarHBondContact CA-O 3.21Å; S126-S142 PolarHBondContact N-O 2.71Å; S126-S142 PolarHBondContact O-N 3.36Å; S126-S142 VanDerWaalsContact O-N 3.15Å
143V96.8Very high96Very high18 Ų1870.4 Ų70.411%0.10936%0.359CS..EExtended strand (participates in β ladder)trans-131.3113.5168.5-176.80000105.8Y89 V101 Q103 L117 V123 V125 A140Y89-V143 HydrophobicContact CD2-CG1 4.45Å; Y89-V143 HydrophobicContact CD2-CG2 4.45Å; Y89-V143 HydrophobicContact CE2-CB 4.47Å; Y89-V143 HydrophobicContact CE2-CG1 4.16Å; Y89-V143 HydrophobicContact CE2-CG2 4.25Å; V101-V143 HydrophobicContact CG1-CG2 4.4Å; Q103-V143 HydrophobicContact CB-CG2 4.37Å; L117-V143 HydrophobicContact CD1-CG1 3.89Å; V123-V143 HydrophobicContact CB-CG1 4.17Å; V123-V143 HydrophobicContact CG1-CG1 4.19Å; V123-V143 HydrophobicContact CG2-CG1 4.41Å; V125-V143 HydrophobicContact CG1-CG2 4.44Å; V125-V143 HydrophobicContact CG2-CG1 4.25Å; V125-V143 HydrophobicContact CG2-CG2 4.41Å; A140-V143 HydrophobicContact CB-CG2 3.61Å
144R96.4Very high96.4Very high92 Ų9264.9 Ų64.935%0.34734%0.339SS..EExtended strand (participates in β ladder)trans-122.4139.9179.366.5172.3179.782.5-6.2111.2V123 K124 E151V123-R144 CarbonylContact C-O 3.58Å; V123-R144 WeakPolarHBondContact CA-O 3.49Å; V123-R144 WeakPolarHBondContact CB-O 3.42Å; K124-R144 HydrophobicContact CB-CG 4.03Å; K124-R144 VanDerWaalsContact CD-NH2 3.27Å; K124-R144 PolarHBondContact N-O 3.37Å; K124-R144 PolarHBondContact O-N 3.24Å; R144-E151 IonicContact CZ-OE2 3.84Å; R144-E151 IonicContact NH1-OE1 2.75Å; R144-E151 PolarHBondContact NH1-OE1 2.86Å; R144-E151 IonicContact NH1-OE2 2.7Å; R144-E151 PolarHBondContact NH1-OE2 3.44Å; R144-E151 IonicContact NH2-OE2 2.97Å; R144-E151 PolarHBondContact NH2-OE2 2.88Å
145P98.1Very high97.1Very high55 Ų5558.6 Ų58.636%0.35731%0.305SS..EExtended strand (participates in β ladder)trans-61.2148.5166.829.2-33.1000110L117 T121 Y122L117-P145 HydrophobicContact CD2-CB 4.42Å; L117-P145 HydrophobicContact CD2-CG 4.24Å; T121-P145 HydrophobicContact CG2-CB 3.91Å; Y122-P145 CarbonylContact O-C 3.54Å; Y122-P145 WeakPolarHBondContact O-CA 3.28Å
146L98.1Very high97.4Very high23 Ų2358.7 Ų58.712%0.1231%0.308CS..  trans-76.4133.8167.3-9262.8000108.9V74 Y122 K124 E151 I152V74-L146 HydrophobicContact CG1-CD1 4.21Å; V74-L146 HydrophobicContact CG1-CD2 3.81Å; Y122-L146 PolarHBondContact O-N 2.99Å; K124-L146 HydrophobicContact CB-CD1 3.96Å; L146-E151 HydrophobicContact CD2-CB 3.75Å; L146-E151 HydrophobicContact CG-CB 3.97Å; L146-I152 HydrophobicContact CD2-CD1 4.37Å; L146-I152 HydrophobicContact CD2-CG1 3.57Å
147E97Very high97.6Very high191 Ų19163.3 Ų63.389%0.89333%0.333SS*.SBendtrans-97.3-29.6173.1-63.5-177.517800111
148D97.8Very high97.6Very high78 Ų7865.3 Ų65.342%0.41734%0.34SS..  trans-120.8129172.8-176.21.2000110.4N150 E151D148-N150 PolarHBondContact O-N 3.2Å; D148-N150 WeakPolarHBondContact OD1-CB 3.45Å; D148-N150 PolarHBondContact OD1-N 2.9Å; D148-N150 PolarHBondContact OD1-ND2 2.87Å; D148-N150 WeakPolarHBondContact OD2-CB 3.32Å; D148-N150 PolarHBondContact OD2-ND2 2.99Å; D148-E151 HydrophobicContact CB-CG 4.44Å; D148-E151 VanDerWaalsContact O-CB 3.3Å; D148-E151 WeakPolarHBondContact O-CB 3.44Å; D148-E151 VanDerWaalsContact O-CG 3.26Å; D148-E151 WeakPolarHBondContact O-CG 3.39Å; D148-E151 PolarHBondContact O-N 2.93Å
149M97.7Very high97.6Very high99 Ų9965.6 Ų65.649%0.48834%0.342SS..THydrogen-bonded Turntrans-72-16.3178.1-64.5-61.4-75.500112.9Y122 E151 I152Y122-M149 HydrophobicContact CD2-CE 3.59Å; Y122-M149 HydrophobicContact CD2-SD 4.22Å; Y122-M149 HydrophobicContact CE2-CE 3.71Å; Y122-M149 HydrophobicContact CG-CE 4.03Å; Y122-M149 HydrophobicContact CG-SD 4.38Å; M149-E151 PolarHBondContact O-N 2.87Å; M149-I152 HydrophobicContact CE-CD1 3.32Å; M149-I152 WeakPolarHBondContact O-CB 3.16Å; M149-I152 PolarHBondContact O-N 3.07Å; M149-I152 VanDerWaalsContact O-N 3.09Å; M149-I152 HydrophobicContact SD-CD1 4.11Å
150N98.4Very high97.5Very high107 Ų10767.7 Ų67.757%0.57235%0.354SS*.Hα-helixtrans-60.5-22.6171.1-65.5-49.2000112.4D148 I152 T153 S154D148-N150 PolarHBondContact O-N 3.2Å; D148-N150 WeakPolarHBondContact OD1-CB 3.45Å; D148-N150 PolarHBondContact OD1-N 2.9Å; D148-N150 PolarHBondContact OD1-ND2 2.87Å; D148-N150 WeakPolarHBondContact OD2-CB 3.32Å; D148-N150 PolarHBondContact OD2-ND2 2.99Å; N150-I152 PolarHBondContact O-N 3.17Å; N150-T153 PolarHBondContact O-N 2.74Å; N150-T153 VanDerWaalsContact O-N 3.14Å; N150-S154 PolarHBondContact O-N 2.78Å
151E98.4Very high97.5Very high43 Ų4373.3 Ų73.320%0.20138%0.379CS..Hα-helixtrans-61.2-27.3174.9-64.6-170.6-115.900112.9R144 L146 D148 M149 H155R144-E151 IonicContact CZ-OE2 3.84Å; R144-E151 IonicContact NH1-OE1 2.75Å; R144-E151 PolarHBondContact NH1-OE1 2.86Å; R144-E151 IonicContact NH1-OE2 2.7Å; R144-E151 PolarHBondContact NH1-OE2 3.44Å; R144-E151 IonicContact NH2-OE2 2.97Å; R144-E151 PolarHBondContact NH2-OE2 2.88Å; L146-E151 HydrophobicContact CD2-CB 3.75Å; L146-E151 HydrophobicContact CG-CB 3.97Å; D148-E151 HydrophobicContact CB-CG 4.44Å; D148-E151 VanDerWaalsContact O-CB 3.3Å; D148-E151 WeakPolarHBondContact O-CB 3.44Å; D148-E151 VanDerWaalsContact O-CG 3.26Å; D148-E151 WeakPolarHBondContact O-CG 3.39Å; D148-E151 PolarHBondContact O-N 2.93Å; M149-E151 PolarHBondContact O-N 2.87Å; E151-H155 VanDerWaalsContact O-CB 3.25Å; E151-H155 WeakPolarHBondContact O-CB 3.36Å; E151-H155 PolarHBondContact O-N 3.13Å
152I98.5Very high97.6Very high40 Ų4068.9 Ų68.921%0.20536%0.363CS..Hα-helixtrans-64.2-50.7173.7-58.6178000109.5V74 Y122 L146 M149 N150 H155 I156V74-I152 HydrophobicContact CG1-CG1 3.99Å; Y122-I152 HydrophobicContact CD1-CD1 3.58Å; Y122-I152 HydrophobicContact CD1-CG1 4.31Å; Y122-I152 HydrophobicContact CE1-CD1 3.57Å; Y122-I152 HydrophobicContact CG-CD1 4.11Å; L146-I152 HydrophobicContact CD2-CD1 4.37Å; L146-I152 HydrophobicContact CD2-CG1 3.57Å; M149-I152 HydrophobicContact CE-CD1 3.32Å; M149-I152 WeakPolarHBondContact O-CB 3.16Å; M149-I152 PolarHBondContact O-N 3.07Å; M149-I152 VanDerWaalsContact O-N 3.09Å; M149-I152 HydrophobicContact SD-CD1 4.11Å; N150-I152 PolarHBondContact O-N 3.17Å; I152-H155 PolarHBondContact O-N 3.13Å; I152-I156 HydrophobicContact CG2-CD1 4.11Å; I152-I156 VanDerWaalsContact O-CG1 3.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.46Å; I152-I156 PolarHBondContact O-N 3.21Å
153T98.4Very high97.6Very high83 Ų8367.9 Ų67.951%0.50935%0.353SS..Hα-helixtrans-63.5-43.4178.7-53.30000111N150 H155 I156 L157N150-T153 PolarHBondContact O-N 2.74Å; N150-T153 VanDerWaalsContact O-N 3.14Å; T153-H155 VanDerWaalsContact C-N 3.34Å; T153-H155 PolarHBondContact O-N 2.87Å; T153-I156 PolarHBondContact O-N 3.22Å; T153-L157 WeakPolarHBondContact O-CG 3.43Å; T153-L157 PolarHBondContact O-N 3.48Å; T153-L157 VanDerWaalsContact O-N 3.1Å
154S98.4Very high97.5Very high53 Ų5372.4 Ų72.437%0.37137%0.374SS..Hα-helixtrans-57.7-47.5175.1-167.80000111.2N150 I156 L157 E158N150-S154 PolarHBondContact O-N 2.78Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 3.18Å; S154-L157 PolarHBondContact O-N 3.24Å; S154-L157 VanDerWaalsContact O-N 3.13Å; S154-E158 WeakPolarHBondContact O-CB 3.37Å; S154-E158 VanDerWaalsContact O-CG 3.29Å; S154-E158 WeakPolarHBondContact O-CG 3.33Å; S154-E158 PolarHBondContact O-N 3.35Å; S154-E158 PolarHBondContact OG-OE1 3.14Å
155H98.8Very high97.2Very high8 Ų870.6 Ų70.64%0.03738%0.379CS..Hα-helixtrans-61.6-41.2179.3-172.178000112C46 T72 V74 E151 I152 T153 L157 E158 V159C46-H155 PolarHBondContact O-NE2 3.26Å; C46-H155 VanDerWaalsContact O-NE2 3.1Å; T72-H155 PolarHBondContact O-CE1 2.61Å; T72-H155 PolarHBondContact OG1-CE1 3.09Å; V74-H155 HydrophobicContact CB-CB 3.97Å; V74-H155 HydrophobicContact CG2-CB 3.65Å; E151-H155 VanDerWaalsContact O-CB 3.25Å; E151-H155 WeakPolarHBondContact O-CB 3.36Å; E151-H155 PolarHBondContact O-N 3.13Å; I152-H155 PolarHBondContact O-N 3.13Å; T153-H155 VanDerWaalsContact C-N 3.34Å; T153-H155 PolarHBondContact O-N 2.87Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 2.89Å; H155-E158 WeakPolarHBondContact O-CB 3.45Å; H155-E158 PolarHBondContact O-N 2.8Å; H155-V159 VanDerWaalsContact O-CG2 3.24Å; H155-V159 WeakPolarHBondContact O-CG2 3.31Å; H155-V159 PolarHBondContact O-N 3.47Å
156I98.6Very high96.9Very high99 Ų9971.3 Ų71.351%0.50838%0.379SS..Hα-helixtrans-58.9-43.8175.2-67.5164.2000110.9I152 T153 S154 V160I152-I156 HydrophobicContact CG2-CD1 4.11Å; I152-I156 VanDerWaalsContact O-CG1 3.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.46Å; I152-I156 PolarHBondContact O-N 3.21Å; T153-I156 PolarHBondContact O-N 3.22Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 3.18Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.12Å
157L98.5Very high96.1Very high117 Ų11771.3 Ų71.361%0.61339%0.385SS*.Hα-helixtrans-68.4-40.4177.5-64.2174.2000112.1T153 S154 H155 V160 H161T153-L157 WeakPolarHBondContact O-CG 3.43Å; T153-L157 PolarHBondContact O-N 3.48Å; T153-L157 VanDerWaalsContact O-N 3.1Å; S154-L157 PolarHBondContact O-N 3.24Å; S154-L157 VanDerWaalsContact O-N 3.13Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 2.89Å; L157-V160 PolarHBondContact O-N 3.24Å; L157-H161 VanDerWaalsContact O-CB 3.28Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 2.99Å
158E97.7Very high95.1Very high68 Ų6869.4 Ų69.432%0.31837%0.374SS..Hα-helixtrans-58.4-46.6175.6-76.5164.5-148.200111.2P45 K124 S154 H155 H161 A162P45-E158 HydrophobicContact CB-CB 4.13Å; P45-E158 HydrophobicContact CG-CB 4.02Å; K124-E158 IonicContact NZ-OE2 3.14Å; K124-E158 PolarHBondContact NZ-OE2 2.84Å; S154-E158 WeakPolarHBondContact O-CB 3.37Å; S154-E158 VanDerWaalsContact O-CG 3.29Å; S154-E158 WeakPolarHBondContact O-CG 3.33Å; S154-E158 PolarHBondContact O-N 3.35Å; S154-E158 PolarHBondContact OG-OE1 3.14Å; H155-E158 WeakPolarHBondContact O-CB 3.45Å; H155-E158 PolarHBondContact O-N 2.8Å; E158-H161 PolarHBondContact O-N 3.39Å; E158-A162 VanDerWaalsContact O-CB 3.22Å; E158-A162 WeakPolarHBondContact O-CB 3.46Å; E158-A162 PolarHBondContact O-N 3.48Å
159V98.3Very high93.3Very high7 Ų771 Ų714%0.04239%0.389CS..Hα-helixtrans-57.1-53.3177.2173.60000110.7P45 T47 Q50 H155 H161 A162 H163P45-V159 HydrophobicContact CB-CG2 3.98Å; T47-V159 HydrophobicContact CG2-CG1 4.22Å; Q50-V159 VanDerWaalsContact OE1-CG1 3.28Å; H155-V159 VanDerWaalsContact O-CG2 3.24Å; H155-V159 WeakPolarHBondContact O-CG2 3.31Å; H155-V159 PolarHBondContact O-N 3.47Å; V159-H161 VanDerWaalsContact C-N 3.35Å; V159-H161 PolarHBondContact O-N 3.28Å; V159-A162 PolarHBondContact O-N 2.89Å; V159-H163 PolarHBondContact O-CD2 3.43Å; V159-H163 VanDerWaalsContact O-CD2 3.28Å; V159-H163 PolarHBondContact O-N 3.27Å; V159-H163 VanDerWaalsContact O-N 3.1Å
160V97.3Very high91.1Very high79 Ų7974.8 Ų74.848%0.47941%0.405SS..Hα-helixtrans-61.3-47.3-178.1175.30000110.2I156 L157 M164I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.12Å; L157-V160 PolarHBondContact O-N 3.24Å; V160-M164 HydrophobicContact CG1-CE 4.24Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 HydrophobicContact CG1-SD 4.22Å; V160-M164 WeakPolarHBondContact O-CB 3.19Å; V160-M164 VanDerWaalsContact O-CG 3.27Å; V160-M164 WeakPolarHBondContact O-CG 3.4Å; V160-M164 PolarHBondContact O-N 2.84Å
161H96.3Very high88.6Confident125 Ų12575.7 Ų75.758%0.57942%0.415SS*.Hα-helixtrans-61.2-49.5-179.2-177.673.4000112.2L157 E158 V159 H163 M164 A165L157-H161 VanDerWaalsContact O-CB 3.28Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 2.99Å; E158-H161 PolarHBondContact O-N 3.39Å; V159-H161 VanDerWaalsContact C-N 3.35Å; V159-H161 PolarHBondContact O-N 3.28Å; H161-H163 PolarHBondContact O-N 3.38Å; H161-M164 PolarHBondContact O-N 2.98Å; H161-A165 WeakPolarHBondContact O-CB 3.26Å; H161-A165 PolarHBondContact O-N 3.47Å
162A95.4Very high86.1Confident16 Ų1679.3 Ų79.313%0.13244%0.439CS..Hα-helixtrans-60.8-48-177.900000111.4P45 E158 V159 M164 A165 L166P45-A162 HydrophobicContact CG-CB 3.64Å; E158-A162 VanDerWaalsContact O-CB 3.22Å; E158-A162 WeakPolarHBondContact O-CB 3.46Å; E158-A162 PolarHBondContact O-N 3.48Å; V159-A162 PolarHBondContact O-N 2.89Å; A162-M164 PolarHBondContact O-N 2.77Å; A162-A165 PolarHBondContact O-N 3.39Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.37Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.31Å; A162-L166 PolarHBondContact O-N 2.91Å
163H94.9Very high83.5Confident25 Ų2583.6 Ų83.612%0.11647%0.47CS..Hα-helixtrans-68-33.8179.8-79.3-88.3000112.9P45 V159 H161 G167P45-H163 PolarHBondContact O-NE2 3.46Å; V159-H163 PolarHBondContact O-CD2 3.43Å; V159-H163 VanDerWaalsContact O-CD2 3.28Å; V159-H163 PolarHBondContact O-N 3.27Å; V159-H163 VanDerWaalsContact O-N 3.1Å; H161-H163 PolarHBondContact O-N 3.38Å; H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 3.25Å
164M93.8Very high80.9Confident112 Ų11282.7 Ų82.755%0.55248%0.477SS*.Hα-helixtrans-69.2-38.3172.2-74.2-166.2-42.800113.1V160 H161 A162 K168V160-M164 HydrophobicContact CG1-CE 4.24Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 HydrophobicContact CG1-SD 4.22Å; V160-M164 WeakPolarHBondContact O-CB 3.19Å; V160-M164 VanDerWaalsContact O-CG 3.27Å; V160-M164 WeakPolarHBondContact O-CG 3.4Å; V160-M164 PolarHBondContact O-N 2.84Å; H161-M164 PolarHBondContact O-N 2.98Å; A162-M164 PolarHBondContact O-N 2.77Å; M164-K168 WeakPolarHBondContact O-CG 3.2Å
165A91.8Very high78.5Confident54 Ų5488.9 Ų88.945%0.44650%0.504SS..Hα-helixtrans-71.9-42.8-178.800000111.5H161 A162H161-A165 WeakPolarHBondContact O-CB 3.26Å; H161-A165 PolarHBondContact O-N 3.47Å; A162-A165 PolarHBondContact O-N 3.39Å
166L90.6Very high75.6Confident70 Ų7091.8 Ų91.837%0.36654%0.536SS..Hα-helixtrans-84.5-25.6-177.4-62.9171.7000113.3I44 V66 A162 K168I44-L166 HydrophobicContact CD1-CD1 3.51Å; V66-L166 HydrophobicContact CG1-CB 4.04Å; V66-L166 HydrophobicContact CG1-CD1 4.01Å; V66-L166 HydrophobicContact CG2-CB 3.8Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.37Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.31Å; A162-L166 PolarHBondContact O-N 2.91Å; L166-K168 VanDerWaalsContact C-N 3.31Å
167G82.1Confident72.9Confident24 Ų2491.4 Ų91.425%0.24756%0.557CS.*SBendtrans-79.4-9.4178.600000114.2H163H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 3.25Å
168K75.2Confident69.8Low150 Ų15089.3 Ų89.365%0.65256%0.564SS**SBendtrans-70.1128.3170.6-74.8171-173.7179.80108.3M164 L166 Q170M164-K168 WeakPolarHBondContact O-CG 3.2Å; L166-K168 VanDerWaalsContact C-N 3.31Å; K168-Q170 PolarHBondContact O-N 3.1Å
169P59.8Low67.3Low112 Ų11294.8 Ų94.873%0.72759%0.591SS**  trans-55.8121.1169.821.1-28.4000106.8T171P169-T171 VanDerWaalsContact C-N 3.27Å; P169-T171 PolarHBondContact O-N 2.86Å
170Q52.7Low64.4Low179 Ų17999 Ų9984%0.83663%0.627SS**  trans-57.5103.2168.8-78.6-162.2-34.200105.8K168 V172K168-Q170 PolarHBondContact O-N 3.1Å; Q170-V172 PolarHBondContact O-N 2.84Å
171T45.7Very low61.9Low126 Ų126101.4 Ų101.477%0.77364%0.641SS**  trans-63.390.716451.10000104.6P169 P173P169-T171 VanDerWaalsContact C-N 3.27Å; P169-T171 PolarHBondContact O-N 2.86Å; T171-P173 VanDerWaalsContact O-CD 3.27Å; T171-P173 WeakPolarHBondContact O-CD 3.13Å; T171-P173 VanDerWaalsContact O-N 3.16Å
172V45.1Very low59Low118 Ų118102.6 Ų102.672%0.71565%0.652SS**  trans-48.7121.5161.6-890000105.9Q170 G174Q170-V172 PolarHBondContact O-N 2.84Å; V172-G174 PolarHBondContact O-N 2.87Å
173P43.4Very low56.1Low130 Ų130106.6 Ų106.684%0.84468%0.679SS**  trans-63.990.6167.8-15.229.7000106.5T171 I175T171-P173 VanDerWaalsContact O-CD 3.27Å; T171-P173 WeakPolarHBondContact O-CD 3.13Å; T171-P173 VanDerWaalsContact O-N 3.16Å; P173-I175 PolarHBondContact O-N 2.99Å; P173-I175 VanDerWaalsContact O-N 3.16Å
174G44.6Very low53.6Low65 Ų65113.6 Ų113.667%0.6771%0.714SS**  trans-68.5110.4176.600000108.7V172 G176V172-G174 PolarHBondContact O-N 2.87Å; G174-G176 PolarHBondContact O-N 3.08Å
175I47.4Very low51Low183 Ų183114 Ų11494%0.93873%0.725SS**  trans-59.7110.9155.5-64.3168.8000106.3P173P173-I175 PolarHBondContact O-N 2.99Å; P173-I175 VanDerWaalsContact O-N 3.16Å
176G37.7Very low48.4Very low69 Ų69119.9 Ų119.971%0.71175%0.745SS**  trans169.190.5178.200000111.8G174G174-G176 PolarHBondContact O-N 3.08Å
177G43Very low46Very low91 Ų91124 Ų12494%0.93877%0.767SS**  trans-57.8143.7177.600000113.2
178G33.5Very low44.3Very low73 Ų73129 Ų12975%0.75380%0.795SS**  trans-179.1100.1174.400000109.7A180G178-A180 PolarHBondContact O-N 2.81Å
179M44.8Very low42.4Very low182 Ų182131.3 Ų131.390%0.89781%0.808SS**  trans-48.3123.3174.5-68-87.9-87.700111.4
180A37.9Very low41.4Very low97 Ų97129.2 Ų129.280%0.80281%0.807SS**  trans-137.386.9159.900000109.1G178 N182G178-A180 PolarHBondContact O-N 2.81Å; A180-N182 PolarHBondContact O-N 2.87Å
181V43.3Very low41Very low128 Ų128127.3 Ų127.378%0.77681%0.81SS**  trans-61.2115.7156.3-121.90000107.4
182N35.8Very low40.4Very low150 Ų150124.3 Ų124.380%0.80281%0.805SS**  -172.5131.9127.8-115.9-8.3000115A180A180-N182 PolarHBondContact O-N 2.87Å
183S34.8Very low39.8Very low100 Ų100127.5 Ų127.570%0.69981%0.814SS**  trans61.494.7144.5620000119.9
184M42.5Very low39.3Very low173 Ų173128.9 Ų128.985%0.85281%0.814SS**PPolyproline II helixtrans-52.8140.7143.7-69.6-78.3179.900111.4
185P39.8Very low39Very low120 Ų120130.1 Ų130.178%0.77982%0.818SS**PPolyproline II helixtrans-91.6117148.84.814.9000108.9L187P185-L187 PolarHBondContact O-N 3.03Å
186M37.5Very low38.2Very low177 Ų177124.4 Ų124.487%0.87280%0.804SS**PPolyproline II helixtrans-59.1127.4168.3-73.8-78.5-177.200110.5
187L39.3Very low38.3Very low158 Ų158126.1 Ų126.183%0.82781%0.805SS**PPolyproline II helixtrans-74.8139.7160.1-81.1105.9000109.6P185 Q189P185-L187 PolarHBondContact O-N 3.03Å; L187-Q189 PolarHBondContact O-N 2.95Å
188P45.6Very low37.9Very low128 Ų128132.3 Ų132.383%0.83180%0.802SS**PPolyproline II helixtrans-68.6124.1170.8-14.729.1000110.9G190P188-G190 PolarHBondContact O-N 2.8Å
189Q35.5Very low38.1Very low198 Ų198135.5 Ų135.593%0.92581%0.807SS**PPolyproline II helixtrans-62.6120.7167-82175-1.800110.4L187L187-Q189 PolarHBondContact O-N 2.95Å
190G38.6Very low37.4Very low68 Ų68130.1 Ų130.170%0.70180%0.798SS**PPolyproline II helixtrans-93.3141.3155.500000109.6P188P188-G190 PolarHBondContact O-N 2.8Å
191P44.9Very low37.1Very low139 Ų139131.9 Ų131.990%0.90380%0.799SS**PPolyproline II helixtrans-88.7132.9-179.733.5-28.9000110.7
192G33.5Very low36.9Very low64 Ų64133 Ų13366%0.6680%0.801SS**  trans141.5124.4154.600000117.1
193M31.8Very low36.8Very low184 Ų184134.9 Ų134.991%0.90681%0.805SS**  trans81.596.9147.1-76.570.1148.100120.6
194N33.3Very low37Very low160 Ų160137.9 Ų137.986%0.85681%0.813SS**  87.8136.2109.9-142.936.6000120.5
195A37.4Very low37Very low91 Ų91134.5 Ų134.575%0.75280%0.804SS**  trans-64.3154.5179.500000113.7
196G31.6Very low37.2Very low62 Ų62134.8 Ų134.864%0.63980%0.798SS**  trans-178.770.2171.400000112.4
197S40.6Very low37.4Very low106 Ų106132.8 Ų132.874%0.74179%0.788SS**  trans-80.2113.3162.9-175.10000108.2
198Y33.7Very low37.7Very low221 Ų221129.3 Ų129.387%0.86777%0.773SS**  trans-145.8127.9161.2-58.5-77.8000110.7
199T37.4Very low37.8Very low140 Ų140127.9 Ų127.986%0.85976%0.758SS**  trans-81.3154.8-176.446.80000114.2
200G30Very low39.1Very low69 Ų69125.3 Ų125.371%0.71175%0.75SS**  trans125.9136149.400000113.6
201T32.3Very low40.7Very low133 Ų133124.9 Ų124.982%0.81675%0.746SS**  cis-164.7139.8321.60000107.4
202N38.8Very low42.5Very low152 Ų152118.6 Ų118.681%0.81371%0.705SS**  trans34.9104151.4-59.9-7.5000119.2
203E34.1Very low45.1Very low190 Ų190116.9 Ų116.989%0.88868%0.683SS**  -149.3115.2113.2-64-154.2149.700107.3P205E203-P205 VanDerWaalsContact O-CD 3.27Å; E203-P205 WeakPolarHBondContact O-CD 3.48Å
204N39.1Very low47.7Very low162 Ų162110 Ų11087%0.86665%0.654SS**  trans-70.8115-175-116.7-7.7000109.6L206N204-L206 PolarHBondContact O-N 2.83Å; N204-L206 VanDerWaalsContact O-N 3.14Å
205P42.7Very low50.4Low103 Ų103105.2 Ų105.267%0.66963%0.629SS**  trans-73.2108.8162.54.713.4000105.7E203 M207E203-P205 VanDerWaalsContact O-CD 3.27Å; E203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-M207 VanDerWaalsContact C-N 3.33Å; P205-M207 PolarHBondContact O-N 2.79Å
206L42.8Very low53Low126 Ų126102.3 Ų102.366%0.6660%0.6SS**  trans-51.899.8170.1-91.8150.3000108.4N204 V208N204-L206 PolarHBondContact O-N 2.83Å; N204-L206 VanDerWaalsContact O-N 3.14Å; L206-V208 VanDerWaalsContact C-N 3.25Å; L206-V208 PolarHBondContact O-N 3.44Å
207M43.1Very low55.8Low134 Ų134100.6 Ų100.666%0.6658%0.576SS**  trans-69.190.5169.3-71.7-155.2178.600107.5P205 I209P205-M207 VanDerWaalsContact C-N 3.33Å; P205-M207 PolarHBondContact O-N 2.79Å; M207-I209 HydrophobicContact CB-CG1 4.4Å; M207-I209 PolarHBondContact O-N 2.85Å
208V46Very low58.1Low85 Ų85100 Ų10052%0.51556%0.562SS.*  trans-7684.6168.8-176.60000107L206 G211 L212L206-V208 VanDerWaalsContact C-N 3.25Å; L206-V208 PolarHBondContact O-N 3.44Å; V208-G211 VanDerWaalsContact CG1-CA 3.47Å; V208-L212 WeakPolarHBondContact CA-O 3.37Å
209I47.6Very low60.9Low99 Ų9989.6 Ų89.651%0.50852%0.521SS..BIsolated β-bridgetrans-81.1126.9168.8-63.4174.1000105.8M207 G211 L212 N217M207-I209 HydrophobicContact CB-CG1 4.4Å; M207-I209 PolarHBondContact O-N 2.85Å; I209-G211 PolarHBondContact O-N 3.48Å; I209-L212 PolarHBondContact O-N 3.15Å; I209-N217 PolarHBondContact O-ND2 3.11Å
210N61.6Low63.6Low144 Ų14483.5 Ų83.577%0.7748%0.483SS*.THydrogen-bonded Turntrans63.124.7176.1-61.415.2000117.1L212N210-L212 PolarHBondContact O-N 3.02Å
211G71.8Confident66.5Low59 Ų5983.9 Ų83.961%0.60848%0.475SS*.THydrogen-bonded Turntrans77.61.4-179.500000114.5V208 I209V208-G211 VanDerWaalsContact CG1-CA 3.47Å; I209-G211 PolarHBondContact O-N 3.48Å
212L84.3Confident69.3Low7 Ų779.5 Ų79.54%0.03745%0.446CS..BIsolated β-bridgetrans-104.4143.4174.1-62.3178.4000109.9V208 I209 N210 Q216 N217 L220 F255 L256V208-L212 WeakPolarHBondContact CA-O 3.37Å; I209-L212 PolarHBondContact O-N 3.15Å; N210-L212 PolarHBondContact O-N 3.02Å; L212-Q216 HydrophobicContact CB-CB 3.96Å; L212-Q216 HydrophobicContact CD2-CB 4.33Å; L212-N217 PolarHBondContact O-ND2 2.78Å; L212-N217 VanDerWaalsContact O-ND2 3.09Å; L212-L220 HydrophobicContact CD1-CD2 3.5Å; L212-L220 VanDerWaalsContact CD1-CD2 3.5Å; L212-F255 HydrophobicContact CD2-CD1 4.29Å; L212-F255 HydrophobicContact CD2-CE1 3.59Å; L212-L256 HydrophobicContact CD1-CD2 3.9Å; L212-L256 HydrophobicContact CD2-CD2 3.92Å
213S88.2Confident71.9Confident28 Ų2872.4 Ų72.420%0.19641%0.408CS..  trans-60.1160.6168.467.40000111.2N215 Q216 N217S213-N215 PolarHBondContact O-N 3.37Å; S213-Q216 PolarHBondContact O-N 2.97Å; S213-Q216 VanDerWaalsContact O-N 3.12Å; S213-Q216 WeakPolarHBondContact OG-CB 3.3Å; S213-Q216 VanDerWaalsContact OG-CG 3.25Å; S213-Q216 WeakPolarHBondContact OG-CG 3.26Å; S213-Q216 PolarHBondContact OG-N 2.89Å; S213-Q216 PolarHBondContact OG-OE1 3.36Å; S213-N217 PolarHBondContact O-N 3.24Å; S213-N217 PolarHBondContact O-ND2 3.22Å
214A84.7Confident74.6Confident38 Ų3867.2 Ų67.231%0.31438%0.383SS..Hα-helixtrans-54.3-41.2177.700000112.6N217 Q218A214-N217 PolarHBondContact O-N 3.48Å; A214-Q218 WeakPolarHBondContact O-CB 3.44Å; A214-Q218 VanDerWaalsContact O-CG 3.28Å; A214-Q218 WeakPolarHBondContact O-CG 3.41Å; A214-Q218 PolarHBondContact O-N 3.03Å
215N90.1Very high76.9Confident61 Ų6162.2 Ų62.233%0.32637%0.369SS..Hα-helixtrans-68.5-41.6178.4-63.7-22.9000111.8S213 Q218 V219 I244 V248S213-N215 PolarHBondContact O-N 3.37Å; N215-Q218 PolarHBondContact O-N 2.94Å; N215-V219 WeakPolarHBondContact O-CG2 3.38Å; N215-V219 PolarHBondContact O-N 3.06Å; N215-I244 HydrophobicContact CB-CD1 4.47Å; N215-V248 HydrophobicContact CB-CG1 4.09Å; N215-V248 WeakPolarHBondContact ND2-CG1 3.36Å
216Q92.4Very high79Confident30 Ų3058 Ų5814%0.1434%0.342CS..Hα-helixtrans-64.1-41.8176.2-74.5159.9-2500111.5L212 S213 Q218 V219 L220 A252 F255L212-Q216 HydrophobicContact CB-CB 3.96Å; L212-Q216 HydrophobicContact CD2-CB 4.33Å; S213-Q216 PolarHBondContact O-N 2.97Å; S213-Q216 VanDerWaalsContact O-N 3.12Å; S213-Q216 WeakPolarHBondContact OG-CB 3.3Å; S213-Q216 VanDerWaalsContact OG-CG 3.25Å; S213-Q216 WeakPolarHBondContact OG-CG 3.26Å; S213-Q216 PolarHBondContact OG-N 2.89Å; S213-Q216 PolarHBondContact OG-OE1 3.36Å; Q216-Q218 PolarHBondContact O-N 2.98Å; Q216-V219 PolarHBondContact O-N 2.68Å; Q216-L220 WeakPolarHBondContact O-CB 3.33Å; Q216-L220 PolarHBondContact O-N 3Å; Q216-A252 HydrophobicContact CG-CB 3.89Å; Q216-F255 HydrophobicContact CG-CD1 4.24Å
217N90.1Very high81Confident26 Ų2657.5 Ų57.514%0.13935%0.346CS..Hα-helixtrans-62.3-41.7174.5-85.3-47.1000112.6I209 L212 S213 A214 L220 S221I209-N217 PolarHBondContact O-ND2 3.11Å; L212-N217 PolarHBondContact O-ND2 2.78Å; L212-N217 VanDerWaalsContact O-ND2 3.09Å; S213-N217 PolarHBondContact O-N 3.24Å; S213-N217 PolarHBondContact O-ND2 3.22Å; A214-N217 PolarHBondContact O-N 3.48Å; N217-L220 PolarHBondContact O-N 2.92Å; N217-S221 VanDerWaalsContact O-CB 3.29Å; N217-S221 WeakPolarHBondContact O-CB 3.34Å; N217-S221 PolarHBondContact O-N 3.23Å; N217-S221 PolarHBondContact O-OG 3.22Å
218Q89.9Confident83.1Confident94 Ų9455.5 Ų55.544%0.43934%0.339SS..Hα-helixtrans-64.2-42.7177.9-76.9175-26.500111.8A214 N215 Q216 L222 L241 I244A214-Q218 WeakPolarHBondContact O-CB 3.44Å; A214-Q218 VanDerWaalsContact O-CG 3.28Å; A214-Q218 WeakPolarHBondContact O-CG 3.41Å; A214-Q218 PolarHBondContact O-N 3.03Å; N215-Q218 PolarHBondContact O-N 2.94Å; Q216-Q218 PolarHBondContact O-N 2.98Å; Q218-L222 WeakPolarHBondContact O-CG 3.33Å; Q218-L222 PolarHBondContact O-N 3.47Å; Q218-L241 HydrophobicContact CB-CD2 4.09Å; Q218-I244 VanDerWaalsContact OE1-CD1 3.29Å
219V92.9Very high84.8Confident1 Ų156.4 Ų56.41%0.00635%0.346CS..Hα-helixtrans-63.7-50174.8171.80000110.7N215 Q216 S221 L222 I223 L237 L241 I249 A252 V253 L256N215-V219 WeakPolarHBondContact O-CG2 3.38Å; N215-V219 PolarHBondContact O-N 3.06Å; Q216-V219 PolarHBondContact O-N 2.68Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 2.79Å; V219-L222 PolarHBondContact O-N 2.96Å; V219-I223 HydrophobicContact CG1-CD1 3.72Å; V219-I223 HydrophobicContact CG1-CG1 4.5Å; V219-I223 WeakPolarHBondContact O-CG1 3.39Å; V219-I223 PolarHBondContact O-N 3.46Å; V219-I223 VanDerWaalsContact O-N 3.08Å; V219-L237 HydrophobicContact CG1-CD1 4.22Å; V219-L237 HydrophobicContact CG1-CD2 4.47Å; V219-L241 HydrophobicContact CG2-CD1 3.62Å; V219-I249 HydrophobicContact CG2-CG2 4.43Å; V219-A252 HydrophobicContact CB-CB 4.32Å; V219-A252 HydrophobicContact CG2-CB 3.98Å; V219-V253 HydrophobicContact CG1-CG2 3.8Å; V219-L256 HydrophobicContact CB-CD1 4.23Å; V219-L256 HydrophobicContact CG1-CD1 3.86Å
220L92.9Very high86.7Confident13 Ų1357.1 Ų57.17%0.06835%0.347CS..Hα-helixtrans-60.9-40.2-179.7-177.160.7000112.4L212 Q216 N217 L222 I223 K224 L256 H261 I262L212-L220 HydrophobicContact CD1-CD2 3.5Å; L212-L220 VanDerWaalsContact CD1-CD2 3.5Å; Q216-L220 WeakPolarHBondContact O-CB 3.33Å; Q216-L220 PolarHBondContact O-N 3Å; N217-L220 PolarHBondContact O-N 2.92Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 2.82Å; L220-I223 PolarHBondContact O-N 3.39Å; L220-K224 HydrophobicContact CD1-CD 4.46Å; L220-K224 HydrophobicContact CD1-CG 4.35Å; L220-K224 HydrophobicContact CG-CD 4.27Å; L220-K224 WeakPolarHBondContact O-CB 3.41Å; L220-K224 WeakPolarHBondContact O-CG 3.4Å; L220-K224 PolarHBondContact O-N 2.87Å; L220-L256 HydrophobicContact CB-CD1 3.89Å; L220-L256 HydrophobicContact CB-CD2 4.19Å; L220-L256 HydrophobicContact CD1-CD2 4.44Å; L220-L256 HydrophobicContact CD2-CD2 4.22Å; L220-H261 HydrophobicContact CD1-CB 4.02Å; L220-H261 HydrophobicContact CD2-CB 4.49Å; L220-I262 HydrophobicContact CD1-CG2 3.68Å
221S90.6Very high88.1Confident77 Ų7750.6 Ų50.654%0.53831%0.314SS..Hα-helixtrans-63.3-38.4179-59.70000112.2N217 V219 G225N217-S221 VanDerWaalsContact O-CB 3.29Å; N217-S221 WeakPolarHBondContact O-CB 3.34Å; N217-S221 PolarHBondContact O-N 3.23Å; N217-S221 PolarHBondContact O-OG 3.22Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 2.79Å; S221-G225 PolarHBondContact O-N 2.62Å
222L92.5Very high89.2Confident40 Ų4048 Ų4821%0.20929%0.286CS..Hα-helixtrans-71-36.6176.4-73.4177.2000112.6Q218 V219 L220 C226 I232 L237 R240 L241Q218-L222 WeakPolarHBondContact O-CG 3.33Å; Q218-L222 PolarHBondContact O-N 3.47Å; V219-L222 PolarHBondContact O-N 2.96Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 2.82Å; L222-C226 PolarHBondContact O-N 3.43Å; L222-I232 HydrophobicContact CB-CD1 4.42Å; L222-L237 HydrophobicContact CB-CD2 3.73Å; L222-L237 HydrophobicContact CD1-CD2 4.01Å; L222-R240 HydrophobicContact CD1-CB 3.84Å; L222-L241 HydrophobicContact CD1-CD1 3.88Å; L222-L241 HydrophobicContact CD1-CD2 3.7Å; L222-L241 HydrophobicContact CD1-CG 3.56Å
223I92.6Very high89.7Confident3 Ų348.3 Ų48.32%0.01529%0.289CS..Hα-helixtrans-66.4-44176-64.8168000110.5V219 L220 C226 I232 L237 I262V219-I223 HydrophobicContact CG1-CD1 3.72Å; V219-I223 HydrophobicContact CG1-CG1 4.5Å; V219-I223 WeakPolarHBondContact O-CG1 3.39Å; V219-I223 PolarHBondContact O-N 3.46Å; V219-I223 VanDerWaalsContact O-N 3.08Å; L220-I223 PolarHBondContact O-N 3.39Å; I223-C226 WeakPolarHBondContact O-CB 3.11Å; I223-C226 PolarHBondContact O-N 2.91Å; I223-I232 HydrophobicContact CB-CG2 4.11Å; I223-I232 HydrophobicContact CG1-CG2 3.5Å; I223-I232 HydrophobicContact CG2-CG2 4.42Å; I223-L237 HydrophobicContact CD1-CD1 4.35Å; I223-L237 HydrophobicContact CG1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD2 4.24Å; I223-I262 HydrophobicContact CB-CG2 4.42Å; I223-I262 HydrophobicContact CD1-CD1 3.69Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.86Å
224K90.5Very high89.9Confident82 Ų8247.6 Ų47.636%0.35728%0.283SS..Hα-helixtrans-63.6-42175.5-75.4-176.1171.4-162.70112.7L220 C226 S273 D275L220-K224 HydrophobicContact CD1-CD 4.46Å; L220-K224 HydrophobicContact CD1-CG 4.35Å; L220-K224 HydrophobicContact CG-CD 4.27Å; L220-K224 WeakPolarHBondContact O-CB 3.41Å; L220-K224 WeakPolarHBondContact O-CG 3.4Å; L220-K224 PolarHBondContact O-N 2.87Å; K224-C226 PolarHBondContact O-N 3.32Å; K224-S273 VanDerWaalsContact CE-OG 3.28Å; K224-S273 WeakPolarHBondContact CE-OG 3.26Å; K224-S273 WeakPolarHBondContact CG-OG 3.4Å; K224-D275 WeakPolarHBondContact CE-OD2 3.49Å; K224-D275 IonicContact NZ-OD2 3.41Å; K224-D275 PolarHBondContact NZ-OD2 3.5Å
225G86.6Confident90.3Very high56 Ų5652.2 Ų52.258%0.57730%0.298SS*.THydrogen-bonded Turntrans-78.37179.900000115S221 P227S221-G225 PolarHBondContact O-N 2.62Å; G225-P227 WeakPolarHBondContact O-CD 3.44Å
226C88.1Confident90.4Very high16 Ų1652.3 Ų52.311%0.10830%0.299CS..  trans-82.7115.1-179.3-175.70000110.4L222 I223 K224 D228 G231 I232L222-C226 PolarHBondContact O-N 3.43Å; I223-C226 WeakPolarHBondContact O-CB 3.11Å; I223-C226 PolarHBondContact O-N 2.91Å; K224-C226 PolarHBondContact O-N 3.32Å; C226-D228 VanDerWaalsContact C-N 3.26Å; C226-D228 PolarHBondContact O-N 2.94Å; C226-G231 VanDerWaalsContact SG-C 3.59Å; C226-I232 HydrophobicContact CB-CB 4.07Å
227P84Confident90.4Very high114 Ų11450.9 Ų50.974%0.7429%0.292SS*.  trans-77.7-13.1179.833.2-36000112.8G225G225-P227 WeakPolarHBondContact O-CD 3.44Å
228D87.2Confident90.5Very high93 Ų9352.5 Ų52.550%0.49730%0.298SS..  trans-71.3130-174.5-70.6-51.6000110.6C226 Q230 G231C226-D228 VanDerWaalsContact C-N 3.26Å; C226-D228 PolarHBondContact O-N 2.94Å; D228-Q230 PolarHBondContact O-N 3.21Å; D228-Q230 VanDerWaalsContact O-N 3.11Å; D228-G231 PolarHBondContact O-N 2.97Å
229P82.5Confident90.6Very high104 Ų10455.1 Ų55.168%0.67531%0.31SS*.THydrogen-bonded Turntrans-57.8-31.9-177.6-26.434000113.3G231 K272P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 3.48Å; P229-K272 PolarHBondContact O-NZ 3.46Å
230Q87Confident90.5Very high114 Ų11462.2 Ų62.253%0.53334%0.336SS..THydrogen-bonded Turntrans-79.3-5.8180-62.1178.23.600112.9D228 T265 I266D228-Q230 PolarHBondContact O-N 3.21Å; D228-Q230 VanDerWaalsContact O-N 3.11Å; Q230-T265 WeakPolarHBondContact O-CB 3.4Å; Q230-T265 PolarHBondContact O-OG1 2.81Å; Q230-I266 HydrophobicContact CB-CD1 4.07Å; Q230-I266 HydrophobicContact CB-CG2 4.36Å; Q230-I266 HydrophobicContact CG-CD1 4.29Å; Q230-I266 HydrophobicContact CG-CG2 4.14Å
231G90.7Very high90.4Very high7 Ų762.6 Ų62.67%0.07234%0.338CS..  trans81.1-172.4-175.800000112.9C226 D228 P229 Y271C226-G231 VanDerWaalsContact SG-C 3.59Å; D228-G231 PolarHBondContact O-N 2.97Å; P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 3.48Å; G231-Y271 CarbonylContact C-O 3.53Å; G231-Y271 VanDerWaalsContact CA-O 3.26Å; G231-Y271 WeakPolarHBondContact CA-O 3.23Å
232I94.6Very high90.2Very high3 Ų363.5 Ų63.52%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-102.3138.6-176.9-168.9167.6000110.8L222 I223 C226 D236 L237 Y271L222-I232 HydrophobicContact CB-CD1 4.42Å; I223-I232 HydrophobicContact CB-CG2 4.11Å; I223-I232 HydrophobicContact CG1-CG2 3.5Å; I223-I232 HydrophobicContact CG2-CG2 4.42Å; C226-I232 HydrophobicContact CB-CB 4.07Å; I232-D236 HydrophobicContact CD1-CB 4.22Å; I232-D236 HydrophobicContact CG1-CB 3.75Å; I232-L237 HydrophobicContact CD1-CD2 3.83Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.43Å; I232-L237 HydrophobicContact CG1-CG 4.18Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.17Å; I232-L237 HydrophobicContact CG2-CG 4.11Å; I232-Y271 PolarHBondContact N-O 3.43Å; I232-Y271 PolarHBondContact O-N 3.29Å
233S95.1Very high89.9Confident15 Ų1565.5 Ų65.511%0.10538%0.375CS..EExtended strand (participates in β ladder)trans-80155.5176.677.90000112.4Q235 D236 L237 D269S233-Q235 PolarHBondContact O-N 3.18Å; S233-Q235 PolarHBondContact OG-N 3.04Å; S233-D236 PolarHBondContact O-N 2.87Å; S233-D236 PolarHBondContact OG-N 3Å; S233-D236 PolarHBondContact OG-OD2 2.93Å; S233-L237 PolarHBondContact O-N 3.25Å; S233-D269 CarbonylContact C-O 3.58Å; S233-D269 VanDerWaalsContact CA-O 3.26Å; S233-D269 WeakPolarHBondContact CA-O 3.43Å
234I93.4Very high89.8Confident13 Ų1366.3 Ų66.37%0.06738%0.379CS..Hα-helixtrans-56.9-34.3171-75.1175.4000111.7L237 K238 L246 K250 D269 Y271I234-L237 PolarHBondContact O-N 3.44Å; I234-K238 PolarHBondContact O-N 2.65Å; I234-L246 HydrophobicContact CG2-CD1 3.7Å; I234-K250 HydrophobicContact CD1-CG 4.48Å; I234-D269 PolarHBondContact N-O 2.99Å; I234-Y271 HydrophobicContact CD1-CE2 3.68Å; I234-Y271 HydrophobicContact CG1-CD2 4.21Å; I234-Y271 HydrophobicContact CG1-CE2 3.67Å
235Q92.1Very high89.9Confident135 Ų13565.4 Ų65.463%0.63138%0.383SS*.Hα-helixtrans-69-40.3179.3-170.368.7-9.600111.6S233 K238 Q239S233-Q235 PolarHBondContact O-N 3.18Å; S233-Q235 PolarHBondContact OG-N 3.04Å; Q235-K238 PolarHBondContact O-N 2.84Å; Q235-Q239 PolarHBondContact O-N 2.94Å
236D92.3Very high90Very high63 Ų6366 Ų6634%0.33737%0.373SS..Hα-helixtrans-68.2-39176.1-64.7-44000111.6I232 S233 K238 Q239 R240I232-D236 HydrophobicContact CD1-CB 4.22Å; I232-D236 HydrophobicContact CG1-CB 3.75Å; S233-D236 PolarHBondContact O-N 2.87Å; S233-D236 PolarHBondContact OG-N 3Å; S233-D236 PolarHBondContact OG-OD2 2.93Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.26Å; D236-Q239 PolarHBondContact O-N 3.45Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 3.4Å
237L93.2Very high90.2Very high0 Ų068.6 Ų68.60%040%0.396CS..Hα-helixtrans-57.3-44.4170.4-74.8171.3000110.7V219 L222 I223 I232 S233 I234 Q239 R240 L241 I249 V253V219-L237 HydrophobicContact CG1-CD1 4.22Å; V219-L237 HydrophobicContact CG1-CD2 4.47Å; L222-L237 HydrophobicContact CB-CD2 3.73Å; L222-L237 HydrophobicContact CD1-CD2 4.01Å; I223-L237 HydrophobicContact CD1-CD1 4.35Å; I223-L237 HydrophobicContact CG1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD2 4.24Å; I232-L237 HydrophobicContact CD1-CD2 3.83Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.43Å; I232-L237 HydrophobicContact CG1-CG 4.18Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.17Å; I232-L237 HydrophobicContact CG2-CG 4.11Å; S233-L237 PolarHBondContact O-N 3.25Å; I234-L237 PolarHBondContact O-N 3.44Å; L237-Q239 PolarHBondContact O-N 2.91Å; L237-R240 PolarHBondContact O-N 3.23Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 WeakPolarHBondContact O-CG 3.28Å; L237-L241 PolarHBondContact O-N 2.96Å; L237-I249 HydrophobicContact CB-CG2 4.06Å; L237-I249 HydrophobicContact CD1-CG2 4.38Å; L237-V253 HydrophobicContact CD1-CG2 4.05Å
238K92.2Very high90.4Very high59 Ų5965.3 Ų65.326%0.25737%0.373SS..Hα-helixtrans-66-35.9178.1177.857.6-164.1146.30113I234 Q235 D236 L241 S242 I244 L246 I249I234-K238 PolarHBondContact O-N 2.65Å; Q235-K238 PolarHBondContact O-N 2.84Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.26Å; K238-L241 CarbonylContact O-C 3.48Å; K238-S242 PolarHBondContact NZ-O 2.84Å; K238-S242 PolarHBondContact O-N 3.3Å; K238-I244 PolarHBondContact NZ-O 2.9Å; K238-L246 HydrophobicContact CB-CD1 4.12Å; K238-L246 HydrophobicContact CD-CB 4.36Å; K238-L246 HydrophobicContact CG-CD1 4.3Å; K238-I249 HydrophobicContact CB-CD1 4.11Å; K238-I249 HydrophobicContact CD-CD1 3.85Å
239Q92.4Very high90.7Very high150 Ų15060.9 Ų60.970%0.70135%0.35SS*.Hα-helixtrans-67.8-41.8176.9-171.1177.1400111.7Q235 D236 L237Q235-Q239 PolarHBondContact O-N 2.94Å; D236-Q239 PolarHBondContact O-N 3.45Å; L237-Q239 PolarHBondContact O-N 2.91Å
240R90.6Very high91.2Very high149 Ų14960.9 Ų60.956%0.56234%0.339SS*.Hα-helixtrans-76.4-31.7179.3-65.8-177.3-171.7-148.54.6112.8L222 D236 L237L222-R240 HydrophobicContact CD1-CB 3.84Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 3.4Å; L237-R240 PolarHBondContact O-N 3.23Å
241L90.9Very high91.5Very high21 Ų2161.8 Ų61.811%0.1134%0.343CS..THydrogen-bonded Turntrans-102.955.1176.5-58172.1000110.6Q218 V219 L222 L237 K238 G243 I244 I249Q218-L241 HydrophobicContact CB-CD2 4.09Å; V219-L241 HydrophobicContact CG2-CD1 3.62Å; L222-L241 HydrophobicContact CD1-CD1 3.88Å; L222-L241 HydrophobicContact CD1-CD2 3.7Å; L222-L241 HydrophobicContact CD1-CG 3.56Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 WeakPolarHBondContact O-CG 3.28Å; L237-L241 PolarHBondContact O-N 2.96Å; K238-L241 CarbonylContact O-C 3.48Å; L241-G243 PolarHBondContact O-N 3.28Å; L241-G243 VanDerWaalsContact O-N 3.13Å; L241-I244 HydrophobicContact CB-CB 4.27Å; L241-I244 HydrophobicContact CB-CD1 4.06Å; L241-I244 HydrophobicContact CB-CG1 4.27Å; L241-I244 HydrophobicContact CD1-CD1 4.19Å; L241-I244 HydrophobicContact CD2-CD1 4.12Å; L241-I244 HydrophobicContact CG-CD1 4.35Å; L241-I244 PolarHBondContact O-N 3.32Å; L241-I249 HydrophobicContact CB-CD1 4.03Å; L241-I249 HydrophobicContact CD1-CD1 4.39Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å
242S86.5Confident91.7Very high97 Ų9761.7 Ų61.768%0.67834%0.342SS*.THydrogen-bonded Turntrans-57.6-31.8-174.861.60000113.2K238 I244K238-S242 PolarHBondContact NZ-O 2.84Å; K238-S242 PolarHBondContact O-N 3.3Å; S242-I244 VanDerWaalsContact C-N 3.35Å; S242-I244 PolarHBondContact O-N 3.35Å
243G85.9Confident91.7Very high81 Ų8161.7 Ų61.784%0.83534%0.342SS*.THydrogen-bonded Turntrans-77.4-5.7177.100000116.4L241L241-G243 PolarHBondContact O-N 3.28Å; L241-G243 VanDerWaalsContact O-N 3.13Å
244I90.2Very high91.6Very high20 Ų2066.9 Ų66.910%0.10336%0.364CS..SBendtrans-110135.8-179-53.8179.9000109.3N215 Q218 K238 L241 S242 V248 I249N215-I244 HydrophobicContact CB-CD1 4.47Å; Q218-I244 VanDerWaalsContact OE1-CD1 3.29Å; K238-I244 PolarHBondContact NZ-O 2.9Å; L241-I244 HydrophobicContact CB-CB 4.27Å; L241-I244 HydrophobicContact CB-CD1 4.06Å; L241-I244 HydrophobicContact CB-CG1 4.27Å; L241-I244 HydrophobicContact CD1-CD1 4.19Å; L241-I244 HydrophobicContact CD2-CD1 4.12Å; L241-I244 HydrophobicContact CG-CD1 4.35Å; L241-I244 PolarHBondContact O-N 3.32Å; S242-I244 VanDerWaalsContact C-N 3.35Å; S242-I244 PolarHBondContact O-N 3.35Å; I244-V248 HydrophobicContact CG2-CB 3.75Å; I244-V248 HydrophobicContact CG2-CG1 3.53Å; I244-I249 HydrophobicContact CB-CD1 4.41Å; I244-I249 HydrophobicContact CB-CG1 4.22Å; I244-I249 HydrophobicContact CG2-CG1 3.83Å
245S92.6Very high91.7Very high63 Ų6369.6 Ų69.644%0.44138%0.376SS..  trans-66.7149.6178.975.30000111.4A247 V248 I249S245-A247 PolarHBondContact O-N 2.97Å; S245-V248 PolarHBondContact O-N 3.32Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.26Å; S245-V248 WeakPolarHBondContact OG-CG2 3.38Å; S245-V248 PolarHBondContact OG-N 3Å; S245-I249 PolarHBondContact O-N 3.32Å; S245-I249 VanDerWaalsContact O-N 3.1Å
246L89.6Confident91.8Very high69 Ų6963.2 Ų63.236%0.36135%0.346SS..Hα-helixtrans-59-35.3178.9-177.264.3000111.9I234 K238 V248 I249 K250I234-L246 HydrophobicContact CG2-CD1 3.7Å; K238-L246 HydrophobicContact CB-CD1 4.12Å; K238-L246 HydrophobicContact CD-CB 4.36Å; K238-L246 HydrophobicContact CG-CD1 4.3Å; L246-V248 PolarHBondContact O-N 2.84Å; L246-I249 PolarHBondContact O-N 2.85Å; L246-K250 WeakPolarHBondContact O-CG 3.28Å; L246-K250 PolarHBondContact O-N 2.99Å
247A90.8Very high91.7Very high71 Ų7162.5 Ų62.559%0.58735%0.346SS*.Hα-helixtrans-61.2-43.3176.500000112.1S245 K250 Q251S245-A247 PolarHBondContact O-N 2.97Å; A247-K250 PolarHBondContact O-N 2.98Å; A247-Q251 WeakPolarHBondContact O-CB 3.3Å; A247-Q251 PolarHBondContact O-N 2.59Å
248V89.3Confident91.6Very high45 Ų4568.3 Ų68.327%0.27338%0.377SS..Hα-helixtrans-68.6-36.4178.1171.90000111.4N215 I244 S245 L246 Q251 A252N215-V248 HydrophobicContact CB-CG1 4.09Å; N215-V248 WeakPolarHBondContact ND2-CG1 3.36Å; I244-V248 HydrophobicContact CG2-CB 3.75Å; I244-V248 HydrophobicContact CG2-CG1 3.53Å; S245-V248 PolarHBondContact O-N 3.32Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.26Å; S245-V248 WeakPolarHBondContact OG-CG2 3.38Å; S245-V248 PolarHBondContact OG-N 3Å; L246-V248 PolarHBondContact O-N 2.84Å; V248-Q251 PolarHBondContact O-N 2.79Å; V248-A252 WeakPolarHBondContact O-CB 3.41Å; V248-A252 PolarHBondContact O-N 3.06Å
249I92.4Very high91.4Very high0 Ų071.1 Ų71.10%039%0.391CS..Hα-helixtrans-63.6-46.9174.4-64.5172.1000110.3V219 L237 K238 L241 I244 S245 L246 Q251 A252 V253V219-I249 HydrophobicContact CG2-CG2 4.43Å; L237-I249 HydrophobicContact CB-CG2 4.06Å; L237-I249 HydrophobicContact CD1-CG2 4.38Å; K238-I249 HydrophobicContact CB-CD1 4.11Å; K238-I249 HydrophobicContact CD-CD1 3.85Å; L241-I249 HydrophobicContact CB-CD1 4.03Å; L241-I249 HydrophobicContact CD1-CD1 4.39Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å; I244-I249 HydrophobicContact CB-CD1 4.41Å; I244-I249 HydrophobicContact CB-CG1 4.22Å; I244-I249 HydrophobicContact CG2-CG1 3.83Å; S245-I249 PolarHBondContact O-N 3.32Å; S245-I249 VanDerWaalsContact O-N 3.1Å; L246-I249 PolarHBondContact O-N 2.85Å; I249-Q251 PolarHBondContact O-N 2.83Å; I249-A252 PolarHBondContact O-N 3.19Å; I249-V253 HydrophobicContact CG2-CG2 4.41Å; I249-V253 WeakPolarHBondContact O-CG2 3.42Å; I249-V253 PolarHBondContact O-N 3.41Å
250K93.8Very high91.3Very high104 Ų10465.8 Ų65.845%0.45238%0.377SS..Hα-helixtrans-60.4-44.6177.5-73.6-170.7174.4-159.10112.2I234 L246 A247 A252 V253 E254I234-K250 HydrophobicContact CD1-CG 4.48Å; L246-K250 WeakPolarHBondContact O-CG 3.28Å; L246-K250 PolarHBondContact O-N 2.99Å; A247-K250 PolarHBondContact O-N 2.98Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.06Å; K250-V253 PolarHBondContact O-N 3.11Å; K250-E254 WeakPolarHBondContact O-CB 3.17Å; K250-E254 PolarHBondContact O-N 3.25Å
251Q93.4Very high91.2Very high132 Ų13261.8 Ų61.862%0.61736%0.364SS*.Hα-helixtrans-62.3-39.4176.6-171.6-178.211.100112.2A247 V248 I249 F255A247-Q251 WeakPolarHBondContact O-CB 3.3Å; A247-Q251 PolarHBondContact O-N 2.59Å; V248-Q251 PolarHBondContact O-N 2.79Å; I249-Q251 PolarHBondContact O-N 2.83Å; Q251-F255 WeakPolarHBondContact O-CB 3.26Å; Q251-F255 PolarHBondContact O-N 3.1Å
252A94.1Very high91.4Very high5 Ų560.9 Ų60.94%0.04136%0.36CS..Hα-helixtrans-65.8-43.4175.500000111.8Q216 V219 V248 I249 K250 F255 L256Q216-A252 HydrophobicContact CG-CB 3.89Å; V219-A252 HydrophobicContact CB-CB 4.32Å; V219-A252 HydrophobicContact CG2-CB 3.98Å; V248-A252 WeakPolarHBondContact O-CB 3.41Å; V248-A252 PolarHBondContact O-N 3.06Å; I249-A252 PolarHBondContact O-N 3.19Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.06Å; A252-F255 PolarHBondContact O-N 3.34Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 WeakPolarHBondContact O-CG 3.48Å; A252-L256 PolarHBondContact O-N 3.49Å
253V95Very high91.6Very high3 Ų360.7 Ų60.72%0.01835%0.347CS..Hα-helixtrans-61.9-46.6176.5168.80000111.2V219 L237 I249 K250 F255 L256 S257 I262 Y271V219-V253 HydrophobicContact CG1-CG2 3.8Å; L237-V253 HydrophobicContact CD1-CG2 4.05Å; I249-V253 HydrophobicContact CG2-CG2 4.41Å; I249-V253 WeakPolarHBondContact O-CG2 3.42Å; I249-V253 PolarHBondContact O-N 3.41Å; K250-V253 PolarHBondContact O-N 3.11Å; V253-F255 PolarHBondContact O-N 3.19Å; V253-L256 PolarHBondContact O-N 3.38Å; V253-S257 WeakPolarHBondContact O-CB 3.27Å; V253-S257 PolarHBondContact O-N 2.9Å; V253-I262 HydrophobicContact CB-CD1 4.46Å; V253-I262 HydrophobicContact CG1-CD1 3.98Å; V253-Y271 HydrophobicContact CG1-CD1 3.68Å; V253-Y271 HydrophobicContact CG1-CD2 3.99Å; V253-Y271 HydrophobicContact CG1-CE1 3.27Å; V253-Y271 HydrophobicContact CG1-CE2 3.67Å; V253-Y271 HydrophobicContact CG1-CG 4.01Å
254E93.5Very high92Very high125 Ų12560.1 Ų60.158%0.58433%0.33SS*.Hα-helixtrans-59-47177.4-177.6177.9-168.100111.6K250 S257 N258K250-E254 WeakPolarHBondContact O-CB 3.17Å; K250-E254 PolarHBondContact O-N 3.25Å; E254-S257 PolarHBondContact O-N 3.29Å; E254-N258 WeakPolarHBondContact O-CB 3.45Å; E254-N258 VanDerWaalsContact O-CG 3.24Å; E254-N258 PolarHBondContact O-N 3.32Å; E254-N258 PolarHBondContact O-ND2 2.66Å
255F94.2Very high92Very high70 Ų7061.3 Ų61.331%0.30734%0.338SS..Hα-helixtrans-59.6-49.5175.6178.2-89.4000112L212 Q216 Q251 A252 V253 S257 N258 E259L212-F255 HydrophobicContact CD2-CD1 4.29Å; L212-F255 HydrophobicContact CD2-CE1 3.59Å; Q216-F255 HydrophobicContact CG-CD1 4.24Å; Q251-F255 WeakPolarHBondContact O-CB 3.26Å; Q251-F255 PolarHBondContact O-N 3.1Å; A252-F255 PolarHBondContact O-N 3.34Å; V253-F255 PolarHBondContact O-N 3.19Å; F255-S257 PolarHBondContact O-N 2.99Å; F255-N258 PolarHBondContact O-N 3.33Å; F255-E259 HydrophobicContact CD1-CG 4.07Å; F255-E259 HydrophobicContact CD2-CG 4.37Å; F255-E259 HydrophobicContact CE1-CG 3.62Å; F255-E259 HydrophobicContact CE2-CG 3.96Å; F255-E259 HydrophobicContact CG-CG 4.43Å; F255-E259 HydrophobicContact CZ-CG 3.57Å; F255-E259 WeakPolarHBondContact O-CB 3.45Å; F255-E259 WeakPolarHBondContact O-CG 3.39Å; F255-E259 PolarHBondContact O-N 2.75Å
256L94.1Very high91.7Very high0 Ų062.9 Ų62.90%034%0.34CS..Hα-helixtrans-63.1-32.6-179.4-70.2170.8000112.1L212 V219 L220 A252 V253 G260 H261 I262L212-L256 HydrophobicContact CD1-CD2 3.9Å; L212-L256 HydrophobicContact CD2-CD2 3.92Å; V219-L256 HydrophobicContact CB-CD1 4.23Å; V219-L256 HydrophobicContact CG1-CD1 3.86Å; L220-L256 HydrophobicContact CB-CD1 3.89Å; L220-L256 HydrophobicContact CB-CD2 4.19Å; L220-L256 HydrophobicContact CD1-CD2 4.44Å; L220-L256 HydrophobicContact CD2-CD2 4.22Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 WeakPolarHBondContact O-CG 3.48Å; A252-L256 PolarHBondContact O-N 3.49Å; V253-L256 PolarHBondContact O-N 3.38Å; L256-G260 PolarHBondContact O-N 2.96Å; L256-H261 HydrophobicContact CB-CB 4.27Å; L256-H261 HydrophobicContact CD2-CB 4.03Å; L256-H261 WeakPolarHBondContact O-CB 3.4Å; L256-H261 PolarHBondContact O-N 3.05Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.8Å; L256-I262 HydrophobicContact CB-CG2 4.39Å; L256-I262 HydrophobicContact CD1-CD1 4.46Å; L256-I262 PolarHBondContact O-N 3.46Å
257S92.1Very high91.7Very high48 Ų4863 Ų6334%0.33634%0.342SS..Hα-helixtrans-68.7-48.1174.7-171.30000111.1V253 E254 F255 E259 G260V253-S257 WeakPolarHBondContact O-CB 3.27Å; V253-S257 PolarHBondContact O-N 2.9Å; E254-S257 PolarHBondContact O-N 3.29Å; F255-S257 PolarHBondContact O-N 2.99Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-G260 PolarHBondContact O-N 2.91Å
258N90.8Very high91.6Very high123 Ų12367.5 Ų67.566%0.65835%0.35SS*.Hα-helixtrans-63.8-36.7179.5-69.9-21000112.9E254 F255 G260E254-N258 WeakPolarHBondContact O-CB 3.45Å; E254-N258 VanDerWaalsContact O-CG 3.24Å; E254-N258 PolarHBondContact O-N 3.32Å; E254-N258 PolarHBondContact O-ND2 2.66Å; F255-N258 PolarHBondContact O-N 3.33Å; N258-G260 PolarHBondContact O-N 2.84Å
259E87.4Confident91.7Very high117 Ų11769.4 Ų69.455%0.54736%0.359SS..THydrogen-bonded Turntrans-78.6-2.5174.7-65.6-63130.700113.2F255 S257 H261F255-E259 HydrophobicContact CD1-CG 4.07Å; F255-E259 HydrophobicContact CD2-CG 4.37Å; F255-E259 HydrophobicContact CE1-CG 3.62Å; F255-E259 HydrophobicContact CE2-CG 3.96Å; F255-E259 HydrophobicContact CG-CG 4.43Å; F255-E259 HydrophobicContact CZ-CG 3.57Å; F255-E259 WeakPolarHBondContact O-CB 3.45Å; F255-E259 WeakPolarHBondContact O-CG 3.39Å; F255-E259 PolarHBondContact O-N 2.75Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 2.97Å; E259-H261 PolarHBondContact O-N 3.38Å
260G89.3Confident91.8Very high39 Ų3971.3 Ų71.340%0.40237%0.368SS..THydrogen-bonded Turntrans77.314.9175.900000115.3L256 S257 N258 T274L256-G260 PolarHBondContact O-N 2.96Å; S257-G260 PolarHBondContact O-N 2.91Å; N258-G260 PolarHBondContact O-N 2.84Å; G260-T274 WeakPolarHBondContact O-CB 3.48Å; G260-T274 PolarHBondContact O-OG1 3.37Å
261H89.6Confident91.8Very high64 Ų6467.8 Ų67.830%0.29635%0.352SS..SBendtrans-75.3-28.3177-67.3-56.8000113.6L220 L256 E259 S273 T274L220-H261 HydrophobicContact CD1-CB 4.02Å; L220-H261 HydrophobicContact CD2-CB 4.49Å; L256-H261 HydrophobicContact CB-CB 4.27Å; L256-H261 HydrophobicContact CD2-CB 4.03Å; L256-H261 WeakPolarHBondContact O-CB 3.4Å; L256-H261 PolarHBondContact O-N 3.05Å; E259-H261 PolarHBondContact O-N 3.38Å; H261-S273 WeakPolarHBondContact O-CA 3.45Å; H261-S273 PolarHBondContact O-OG 3.26Å; H261-S273 VanDerWaalsContact O-OG 3.13Å; H261-T274 VanDerWaalsContact C-OG1 3.28Å; H261-T274 PolarHBondContact O-N 3.23Å; H261-T274 PolarHBondContact O-OG1 3.01Å
262I94.4Very high91.8Very high3 Ų365.1 Ų65.12%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-138.7161.4-179.168.1177.4000110.5L220 I223 V253 L256 Y271 K272 T274L220-I262 HydrophobicContact CD1-CG2 3.68Å; I223-I262 HydrophobicContact CB-CG2 4.42Å; I223-I262 HydrophobicContact CD1-CD1 3.69Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.86Å; V253-I262 HydrophobicContact CB-CD1 4.46Å; V253-I262 HydrophobicContact CG1-CD1 3.98Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.8Å; L256-I262 HydrophobicContact CB-CG2 4.39Å; L256-I262 HydrophobicContact CD1-CD1 4.46Å; L256-I262 PolarHBondContact O-N 3.46Å; I262-Y271 HydrophobicContact CD1-CD1 3.8Å; I262-Y271 HydrophobicContact CD1-CG 4.24Å; I262-Y271 HydrophobicContact CG1-CD1 4.34Å; I262-K272 CarbonylContact C-O 3.59Å; I262-K272 WeakPolarHBondContact CA-O 3.34Å; I262-K272 VanDerWaalsContact CB-O 3.28Å; I262-K272 WeakPolarHBondContact CB-O 3.48Å; I262-T274 PolarHBondContact N-OG1 2.69Å
263F92.1Very high91.7Very high93 Ų9365.4 Ų65.441%0.40834%0.34SS..EExtended strand (participates in β ladder)trans-138.2154.417364.3-86.3000110.9T265 Y271 K272 S273F263-T265 HydrophobicContact CD2-CG2 4.32Å; F263-T265 HydrophobicContact CE2-CG2 3.86Å; F263-Y271 WeakPolarHBondContact O-CA 3.38Å; F263-K272 HydrophobicContact CE1-CB 4.16Å; F263-K272 HydrophobicContact CE2-CB 4.37Å; F263-K272 HydrophobicContact CZ-CB 3.96Å; F263-K272 HydrophobicContact CZ-CD 4.31Å; F263-K272 HydrophobicContact CZ-CG 4.38Å; F263-K272 PolarHBondContact N-O 3.33Å; F263-K272 PolarHBondContact O-N 2.57Å; F263-S273 WeakPolarHBondContact CE1-O 3.27Å
264S93.3Very high91.4Very high69 Ų6968.4 Ų68.448%0.48336%0.358SS..EExtended strand (participates in β ladder)trans-76.113817457.40000111H270S264-H270 VanDerWaalsContact CA-O 3.28Å; S264-H270 WeakPolarHBondContact CA-O 3.23Å
265T90.1Very high90.6Very high45 Ų4567.1 Ų67.128%0.27636%0.355SS..  trans-100.7-83.4-173.251.90000113.1Q230 F263 H270 K272Q230-T265 WeakPolarHBondContact O-CB 3.4Å; Q230-T265 PolarHBondContact O-OG1 2.81Å; F263-T265 HydrophobicContact CD2-CG2 4.32Å; F263-T265 HydrophobicContact CE2-CG2 3.86Å; T265-H270 PolarHBondContact N-O 3.28Å; T265-H270 VanDerWaalsContact OG1-CB 3.3Å; T265-H270 WeakPolarHBondContact OG1-CB 3.33Å; T265-H270 PolarHBondContact OG1-O 3.42Å; T265-K272 HydrophobicContact CG2-CB 3.61Å; T265-K272 HydrophobicContact CG2-CD 4.46Å
266I86.9Confident88.8Confident95 Ų9570.7 Ų70.749%0.48738%0.378SS..SBendtrans-94.8-25.2-17255.6166.6000112.9Q230 H270Q230-I266 HydrophobicContact CB-CD1 4.07Å; Q230-I266 HydrophobicContact CB-CG2 4.36Å; Q230-I266 HydrophobicContact CG-CD1 4.29Å; Q230-I266 HydrophobicContact CG-CG2 4.14Å; I266-H270 HydrophobicContact CG1-CB 3.84Å
267D89.6Confident86.6Confident73 Ų7377.6 Ų77.639%0.3942%0.415SS..SBendtrans-154.4-175.1177.561.434.1000110D269 H270D267-D269 PolarHBondContact O-N 3.38Å; D267-D269 WeakPolarHBondContact OD1-CA 3.45Å; D267-D269 PolarHBondContact OD1-N 3.49Å; D267-H270 IonicContact OD1-CE1 3.38Å; D267-H270 IonicContact OD1-CG 3.41Å; D267-H270 PolarHBondContact OD1-N 3.04Å; D267-H270 IonicContact OD1-ND1 2.79Å; D267-H270 PolarHBondContact OD1-ND1 3.49Å; D267-H270 IonicContact OD2-CE1 2.99Å; D267-H270 PolarHBondContact OD2-CE1 3.03Å; D267-H270 IonicContact OD2-ND1 2.64Å; D267-H270 PolarHBondContact OD2-ND1 2.83Å
268E87.8Confident84Confident164 Ų16486.2 Ų86.277%0.76646%0.457SS*.THydrogen-bonded Turntrans-75.6-6.6-179-61.5-176.817300113.8Y271E268-Y271 VanDerWaalsContact O-CZ 3.31Å; E268-Y271 PolarHBondContact O-OH 3.16Å
269D92.1Very high83.6Confident85 Ų8584.4 Ų84.446%0.45545%0.447SS..THydrogen-bonded Turntrans-112.6-3.9-175.9-74.9-39.8000113.4S233 I234 D267 Y271S233-D269 CarbonylContact C-O 3.58Å; S233-D269 VanDerWaalsContact CA-O 3.26Å; S233-D269 WeakPolarHBondContact CA-O 3.43Å; I234-D269 PolarHBondContact N-O 2.99Å; D267-D269 PolarHBondContact O-N 3.38Å; D267-D269 WeakPolarHBondContact OD1-CA 3.45Å; D267-D269 PolarHBondContact OD1-N 3.49Å; D269-Y271 VanDerWaalsContact C-CE2 3.49Å
270H93.6Very high83.4Confident40 Ų4082.7 Ų82.719%0.18544%0.442CS..EExtended strand (participates in β ladder)trans-111.5131177.5-70.977.3000113S264 T265 I266 D267S264-H270 VanDerWaalsContact CA-O 3.28Å; S264-H270 WeakPolarHBondContact CA-O 3.23Å; T265-H270 PolarHBondContact N-O 3.28Å; T265-H270 VanDerWaalsContact OG1-CB 3.3Å; T265-H270 WeakPolarHBondContact OG1-CB 3.33Å; T265-H270 PolarHBondContact OG1-O 3.42Å; I266-H270 HydrophobicContact CG1-CB 3.84Å; D267-H270 IonicContact OD1-CE1 3.38Å; D267-H270 IonicContact OD1-CG 3.41Å; D267-H270 PolarHBondContact OD1-N 3.04Å; D267-H270 IonicContact OD1-ND1 2.79Å; D267-H270 PolarHBondContact OD1-ND1 3.49Å; D267-H270 IonicContact OD2-CE1 2.99Å; D267-H270 PolarHBondContact OD2-CE1 3.03Å; D267-H270 IonicContact OD2-ND1 2.64Å; D267-H270 PolarHBondContact OD2-ND1 2.83Å
271Y94.8Very high83.1Confident31 Ų3185.1 Ų85.112%0.12244%0.444CS..EExtended strand (participates in β ladder)trans-130.3144-171-61.7-91.4000112.8G231 I232 I234 V253 I262 F263 E268 D269G231-Y271 CarbonylContact C-O 3.53Å; G231-Y271 VanDerWaalsContact CA-O 3.26Å; G231-Y271 WeakPolarHBondContact CA-O 3.23Å; I232-Y271 PolarHBondContact N-O 3.43Å; I232-Y271 PolarHBondContact O-N 3.29Å; I234-Y271 HydrophobicContact CD1-CE2 3.68Å; I234-Y271 HydrophobicContact CG1-CD2 4.21Å; I234-Y271 HydrophobicContact CG1-CE2 3.67Å; V253-Y271 HydrophobicContact CG1-CD1 3.68Å; V253-Y271 HydrophobicContact CG1-CD2 3.99Å; V253-Y271 HydrophobicContact CG1-CE1 3.27Å; V253-Y271 HydrophobicContact CG1-CE2 3.67Å; V253-Y271 HydrophobicContact CG1-CG 4.01Å; I262-Y271 HydrophobicContact CD1-CD1 3.8Å; I262-Y271 HydrophobicContact CD1-CG 4.24Å; I262-Y271 HydrophobicContact CG1-CD1 4.34Å; F263-Y271 WeakPolarHBondContact O-CA 3.38Å; E268-Y271 VanDerWaalsContact O-CZ 3.31Å; E268-Y271 PolarHBondContact O-OH 3.16Å; D269-Y271 VanDerWaalsContact C-CE2 3.49Å
272K93.6Very high82.7Confident76 Ų7686.4 Ų86.433%0.3345%0.453SS..EExtended strand (participates in β ladder)trans-133.2154.7174.1-162.7169.4-168.2167.30110.8P229 I262 F263 T265P229-K272 PolarHBondContact O-NZ 3.46Å; I262-K272 CarbonylContact C-O 3.59Å; I262-K272 WeakPolarHBondContact CA-O 3.34Å; I262-K272 VanDerWaalsContact CB-O 3.28Å; I262-K272 WeakPolarHBondContact CB-O 3.48Å; F263-K272 HydrophobicContact CE1-CB 4.16Å; F263-K272 HydrophobicContact CE2-CB 4.37Å; F263-K272 HydrophobicContact CZ-CB 3.96Å; F263-K272 HydrophobicContact CZ-CD 4.31Å; F263-K272 HydrophobicContact CZ-CG 4.38Å; F263-K272 PolarHBondContact N-O 3.33Å; F263-K272 PolarHBondContact O-N 2.57Å; T265-K272 HydrophobicContact CG2-CB 3.61Å; T265-K272 HydrophobicContact CG2-CD 4.46Å
273S92.2Very high82Confident10 Ų1091.6 Ų91.67%0.0748%0.48CS..EExtended strand (participates in β ladder)trans-76.4143.3178-165.50000111.6K224 H261 F263 D275K224-S273 VanDerWaalsContact CE-OG 3.28Å; K224-S273 WeakPolarHBondContact CE-OG 3.26Å; K224-S273 WeakPolarHBondContact CG-OG 3.4Å; H261-S273 WeakPolarHBondContact O-CA 3.45Å; H261-S273 PolarHBondContact O-OG 3.26Å; H261-S273 VanDerWaalsContact O-OG 3.13Å; F263-S273 WeakPolarHBondContact CE1-O 3.27Å; S273-D275 VanDerWaalsContact C-N 3.26Å
274T87.8Confident81.3Confident67 Ų6791.5 Ų91.541%0.41149%0.485SS..SBendtrans-74-17.3175.1-45.80000112.7G260 H261 I262 N276G260-T274 WeakPolarHBondContact O-CB 3.48Å; G260-T274 PolarHBondContact O-OG1 3.37Å; H261-T274 VanDerWaalsContact C-OG1 3.28Å; H261-T274 PolarHBondContact O-N 3.23Å; H261-T274 PolarHBondContact O-OG1 3.01Å; I262-T274 PolarHBondContact N-OG1 2.69Å; T274-N276 PolarHBondContact O-N 2.85Å
275D77.5Confident80.5Confident97 Ų9793.1 Ų93.152%0.51949%0.485SS..SBendtrans-72.6110170.4-70.1-29.9000108K224 S273 D277K224-D275 WeakPolarHBondContact CE-OD2 3.49Å; K224-D275 IonicContact NZ-OD2 3.41Å; K224-D275 PolarHBondContact NZ-OD2 3.5Å; S273-D275 VanDerWaalsContact C-N 3.26Å; D275-D277 PolarHBondContact O-N 3.01Å
276N55.8Low79.8Confident145 Ų14596.8 Ų96.878%0.77550%0.501SS*.  trans-63.7115175.9-74.4-25.3000109.8T274 D278T274-N276 PolarHBondContact O-N 2.85Å; N276-D278 PolarHBondContact O-N 3.15Å
277D48.2Very low79.2Confident146 Ų14696.9 Ų96.978%0.78150%0.502SS*.  trans-74.197.7157.9-76.6-35.7000107.8D275D275-D277 PolarHBondContact O-N 3.01Å
278D37Very low78.2Confident229 Ų22999.1 Ų99.1100%1.22551%0.513SS*.  trans-93.30152.9-85-34.8000109.3N276N276-D278 PolarHBondContact O-N 3.15Å

Retrieved 278 of 278 residues in 46.5 ms (Link to these results)