G4M103_SCHMA Loading...

Vesicular integral-membrane protein vip36 (Mannose-binding lectin 2)-related

AlphaFold DB , UniProt , Accession G4M103, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 308 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
1M44.9Very low48.7Very low242 Ų242160.9 Ų160.9100%1.19282%0.817SS**  0111.60-167163.174.700107.1M3M1-M3 PolarHBondContact O-N 3.45Å
2L42.8Very low48.7Very low171 Ų171161.4 Ų161.490%0.89581%0.814SS**  trans-69.6113.8178.1-17183.7000108.8
3M50.9Low49Very low145 Ų145158.6 Ų158.671%0.71480%0.801SS**  trans166143145.4-99.8-176.767.900109.7M1M1-M3 PolarHBondContact O-N 3.45Å
4F50.6Low49.1Very low190 Ų190156.8 Ų156.883%0.83380%0.801SS**  trans90.743.5178.6-56.4-76.1000117.1
5L52.1Low50.3Low170 Ų170151.5 Ų151.589%0.8977%0.772SS**  trans-120.693.5147.2-94.1151.6000106.5
6L51.3Low52.3Low141 Ų141147.1 Ų147.174%0.73876%0.758SS**  trans177.353.6152-90.7162.2000107.2L8L6-L8 HydrophobicContact CD2-CD1 3.63Å; L6-L8 HydrophobicContact CD2-CD2 4.25Å; L6-L8 HydrophobicContact CD2-CG 3.62Å; L6-L8 PolarHBondContact O-N 2.81Å
7C51.1Low54.5Low126 Ų126142.1 Ų142.185%0.85174%0.739SS**  trans-7574.2152.3-158.80000105S9C7-S9 PolarHBondContact O-N 3.06Å
8L48.8Very low56.8Low135 Ų135143.9 Ų143.971%0.70774%0.737SS**  trans-67.382.9159.6-74.7168.8000104.2L6 F10L6-L8 HydrophobicContact CD2-CD1 3.63Å; L6-L8 HydrophobicContact CD2-CD2 4.25Å; L6-L8 HydrophobicContact CD2-CG 3.62Å; L6-L8 PolarHBondContact O-N 2.81Å; L8-F10 PolarHBondContact O-N 2.99Å
9S48.1Very low58.9Low73 Ų73139.7 Ų139.751%0.5171%0.713SS.*  trans-42.7118.315747.90000105.7C7 F11C7-S9 PolarHBondContact O-N 3.06Å; S9-F11 PolarHBondContact O-N 2.71Å
10F49.5Very low60.8Low204 Ų204134.2 Ų134.290%0.89569%0.685SS**  trans-53.489154.9-71.4-94.9000105.2L8 E12L8-F10 PolarHBondContact O-N 2.99Å; F10-E12 PolarHBondContact O-N 2.88Å
11F45.5Very low62.5Low173 Ų173137.4 Ų137.476%0.75969%0.689SS**  trans-61.994.3155-104.4-94.5000102.3S9 I13S9-F11 PolarHBondContact O-N 2.71Å; F11-I13 PolarHBondContact O-N 2.79Å
12E48.6Very low65Low167 Ų167129.9 Ų129.978%0.7865%0.653SS**  trans-50.1108.7148.9-75.5-169.2167.200104F10 V14F10-E12 PolarHBondContact O-N 2.88Å; E12-V14 PolarHBondContact O-N 2.9Å
13I52.9Low67.6Low125 Ų125122 Ų12264%0.64161%0.612SS**  trans-6299.1171-63.4171.9000103.1F11 H15F11-I13 PolarHBondContact O-N 2.79Å; I13-H15 PolarHBondContact O-CD2 2.81Å; I13-H15 VanDerWaalsContact O-CD2 3.24Å; I13-H15 PolarHBondContact O-N 3.24Å
14V50.7Low69.9Low133 Ų133115.4 Ų115.481%0.80658%0.58SS**  trans-64.794.5170.1177.60000104.7E12 S16E12-V14 PolarHBondContact O-N 2.9Å; V14-S16 PolarHBondContact O-N 3.27Å
15H66.1Low72.1Confident78 Ų78106.5 Ų106.536%0.36154%0.541SS..  trans-63.2122.7176.4-72.5-71.4000107.8I13 D234I13-H15 PolarHBondContact O-CD2 2.81Å; I13-H15 VanDerWaalsContact O-CD2 3.24Å; I13-H15 PolarHBondContact O-N 3.24Å; H15-D234 PolarHBondContact ND1-O 3.41Å
16S82.9Confident74.3Confident80 Ų80101 Ų10156%0.55952%0.515SS*.  trans-63.5139.4173-177.70000108.6V14 D234V14-S16 PolarHBondContact O-N 3.27Å; S16-D234 WeakPolarHBondContact O-CB 3.45Å; S16-D234 PolarHBondContact O-N 2.9Å
17S90.2Very high76.4Confident62 Ų6297.8 Ų97.843%0.43450%0.502SS..EExtended strand (participates in β ladder)trans-125.3145173.967.30000110.3E232S17-E232 CarbonylContact C-O 3.53Å; S17-E232 VanDerWaalsContact CA-O 3.27Å; S17-E232 WeakPolarHBondContact CA-O 3.36Å
18Y95Very high78.5Confident176 Ų17696.6 Ų96.669%0.6949%0.493SS*.EExtended strand (participates in β ladder)trans-118.2122.5-179.5-160-96.4000110.1I20 Y231 E232Y18-I20 PolarHBondContact O-N 3.27Å; Y18-Y231 CarbonylContact O-C 3.52Å; Y18-Y231 VanDerWaalsContact O-CA 3.27Å; Y18-Y231 WeakPolarHBondContact O-CA 3.36Å; Y18-E232 PolarHBondContact N-O 3.26Å; Y18-E232 PolarHBondContact O-N 3.34Å
19H97.3Very high80.8Confident63 Ų6390.8 Ų90.829%0.29246%0.462SS..EExtended strand (participates in β ladder)trans-76.1116.9-175.7-178.8-102.2000111.9R21 S24 H229 Y231H19-R21 PolarHBondContact O-N 2.88Å; H19-S24 PolarHBondContact NE2-OG 2.88Å; H19-H229 AromaticContact NE2-ND1 3.37Å; H19-H229 PolarHBondContact NE2-ND1 3.13Å; H19-Y231 HydrophobicContact CB-CD1 3.97Å; H19-Y231 HydrophobicContact CB-CE1 3.88Å; H19-Y231 AromaticContact CD2-CE1 3.58Å; H19-Y231 AromaticContact CD2-CZ 3.79Å
20I97.2Very high82.7Confident30 Ų3091.9 Ų91.915%0.15447%0.47CS..  trans-87.989.7-179.7-47.3179.7000109Y18 D22 N23 S24 L66 A68 T230 E232Y18-I20 PolarHBondContact O-N 3.27Å; I20-D22 VanDerWaalsContact C-N 3.29Å; I20-D22 PolarHBondContact O-N 3.13Å; I20-N23 HydrophobicContact CB-CB 4.37Å; I20-N23 HydrophobicContact CG2-CB 3.9Å; I20-N23 WeakPolarHBondContact CG2-OD1 3.49Å; I20-N23 CarbonylContact O-C 3.57Å; I20-N23 PolarHBondContact O-N 3.38Å; I20-S24 PolarHBondContact O-N 3.34Å; I20-S24 PolarHBondContact O-OG 3.26Å; I20-L66 HydrophobicContact CD1-CD1 3.44Å; I20-L66 VanDerWaalsContact CD1-CD1 3.44Å; I20-A68 HydrophobicContact CD1-CB 3.86Å; I20-T230 HydrophobicContact CB-CG2 4.34Å; I20-T230 HydrophobicContact CD1-CG2 4.07Å; I20-T230 PolarHBondContact N-O 3.38Å; I20-E232 HydrophobicContact CD1-CB 3.93Å; I20-E232 HydrophobicContact CG1-CB 4.17Å
21R96Very high84.7Confident201 Ų20183.8 Ų83.876%0.75844%0.438SS*.G310 helixtrans-57.8-40-177.1-67.4-177-179.7-173.6-0.1112.9H19 N23 S24H19-R21 PolarHBondContact O-N 2.88Å; R21-N23 PolarHBondContact O-N 3.13Å; R21-S24 PolarHBondContact O-N 2.8Å
22D96.7Very high87Confident84 Ų8480.4 Ų80.445%0.44943%0.434SS..G310 helixtrans-64.1-30.8-177.4-72.10.3000112.4I20 N62 K64I20-D22 VanDerWaalsContact C-N 3.29Å; I20-D22 PolarHBondContact O-N 3.13Å; D22-N62 PolarHBondContact O-ND2 2.84Å; D22-K64 HydrophobicContact CB-CG 4.49Å
23N98.2Very high89.3Confident7 Ų774.3 Ų74.34%0.03741%0.405CS..G310 helixtrans-98.215.4176.3-68.6100.6000112.8I20 R21 W34 K64 I210 T230I20-N23 HydrophobicContact CB-CB 4.37Å; I20-N23 HydrophobicContact CG2-CB 3.9Å; I20-N23 WeakPolarHBondContact CG2-OD1 3.49Å; I20-N23 CarbonylContact O-C 3.57Å; I20-N23 PolarHBondContact O-N 3.38Å; R21-N23 PolarHBondContact O-N 3.13Å; N23-W34 WeakPolarHBondContact O-CZ2 3.42Å; N23-K64 PolarHBondContact ND2-O 2.83Å; N23-I210 HydrophobicContact CB-CD1 3.91Å; N23-I210 VanDerWaalsContact O-CD1 3.24Å; N23-I210 WeakPolarHBondContact O-CD1 3.41Å; N23-T230 HydrophobicContact CB-CG2 3.99Å; N23-T230 WeakPolarHBondContact O-CB 3.33Å; N23-T230 PolarHBondContact O-OG1 3.04Å
24S98.3Very high91.5Very high6 Ų669 Ų694%0.04238%0.377CS..  trans-113.1141.3178.8-60.40000111H19 I20 R21 W34 I228 T230H19-S24 PolarHBondContact NE2-OG 2.88Å; I20-S24 PolarHBondContact O-N 3.34Å; I20-S24 PolarHBondContact O-OG 3.26Å; R21-S24 PolarHBondContact O-N 2.8Å; S24-W34 PolarHBondContact O-NE1 3.23Å; S24-I228 CarbonylContact C-O 3.56Å; S24-I228 WeakPolarHBondContact CA-O 3.49Å; S24-I228 WeakPolarHBondContact CB-O 3.27Å; S24-T230 PolarHBondContact OG-N 3.46Å
25L98.2Very high93.7Very high2 Ų265.3 Ų65.31%0.0136%0.355CS..BIsolated β-bridgetrans-114.7111.8176.4-178.463.8000108.7Y29 W34 V47 I60 S227 I228L25-Y29 HydrophobicContact CD1-CD1 3.75Å; L25-Y29 HydrophobicContact CG-CD1 3.87Å; L25-Y29 HydrophobicContact CG-CE1 4.31Å; L25-W34 HydrophobicContact CB-CD2 3.89Å; L25-W34 HydrophobicContact CB-CE3 4.43Å; L25-W34 HydrophobicContact CB-CG 4.25Å; L25-W34 HydrophobicContact CB-CH2 4.34Å; L25-W34 HydrophobicContact CB-CZ2 3.8Å; L25-W34 HydrophobicContact CD1-CB 3.93Å; L25-W34 HydrophobicContact CD1-CD2 4.14Å; L25-W34 HydrophobicContact CD1-CG 3.73Å; L25-W34 HydrophobicContact CD2-CD2 4.34Å; L25-W34 HydrophobicContact CD2-CE3 4.27Å; L25-W34 HydrophobicContact CG-CD2 4.35Å; L25-W34 HydrophobicContact CG-CG 4.44Å; L25-V47 HydrophobicContact CD2-CG2 4.17Å; L25-I60 HydrophobicContact CD1-CD1 4.35Å; L25-I60 HydrophobicContact CD2-CD1 4.02Å; L25-I60 HydrophobicContact CD2-CG2 4.05Å; L25-S227 CarbonylContact O-C 3.52Å; L25-S227 VanDerWaalsContact O-CA 3.22Å; L25-S227 WeakPolarHBondContact O-CA 3.35Å; L25-S227 WeakPolarHBondContact O-CB 3.16Å; L25-I228 HydrophobicContact CB-CB 3.99Å; L25-I228 HydrophobicContact CB-CD1 4.3Å; L25-I228 HydrophobicContact CB-CG1 4.26Å; L25-I228 HydrophobicContact CD2-CD1 4.1Å; L25-I228 PolarHBondContact N-O 3.2Å; L25-I228 PolarHBondContact O-N 2.85Å
26V97.4Very high95.3Very high56 Ų5664.3 Ų64.334%0.33936%0.355SS..  trans-139.6156.9-178.8-64.30000109.7Y29 H229V26-Y29 WeakPolarHBondContact O-CA 3.27Å; V26-Y29 WeakPolarHBondContact O-CD1 3.3Å; V26-Y29 PolarHBondContact O-N 2.73Å; V26-H229 WeakPolarHBondContact CG1-CE1 3.4Å
27P96.1Very high96Very high73 Ų7361.9 Ų61.947%0.47433%0.334SS..THydrogen-bonded Turntrans-50.6143.4170.6-25.632.2000111.8Y29P27-Y29 VanDerWaalsContact C-N 3.28Å; P27-Y29 VanDerWaalsContact CA-N 3.34Å; P27-Y29 HydrophobicContact CB-CE2 4.41Å; P27-Y29 HydrophobicContact CG-CE1 4.15Å; P27-Y29 HydrophobicContact CG-CE2 4.17Å
28P95.8Very high96.4Very high101 Ų10161.8 Ų61.866%0.65634%0.342SS*.THydrogen-bonded Turncis-86.2254.736.9-37.2000113.8S30P28-S30 PolarHBondContact O-N 2.69Å; P28-S30 VanDerWaalsContact O-N 3.14Å
29Y95.7Very high96.5Very high13 Ų1355.1 Ų55.15%0.05132%0.322CS..  trans58.524.8-179.5-46-65.4000114.4L25 V26 P27 S31 I42 E43 Q45 F46 V47 Y226L25-Y29 HydrophobicContact CD1-CD1 3.75Å; L25-Y29 HydrophobicContact CG-CD1 3.87Å; L25-Y29 HydrophobicContact CG-CE1 4.31Å; V26-Y29 WeakPolarHBondContact O-CA 3.27Å; V26-Y29 WeakPolarHBondContact O-CD1 3.3Å; V26-Y29 PolarHBondContact O-N 2.73Å; P27-Y29 VanDerWaalsContact C-N 3.28Å; P27-Y29 VanDerWaalsContact CA-N 3.34Å; P27-Y29 HydrophobicContact CB-CE2 4.41Å; P27-Y29 HydrophobicContact CG-CE1 4.15Å; P27-Y29 HydrophobicContact CG-CE2 4.17Å; Y29-S31 PolarHBondContact O-N 2.86Å; Y29-I42 HydrophobicContact CD2-CG2 4.01Å; Y29-I42 HydrophobicContact CG-CG2 4.13Å; Y29-E43 VanDerWaalsContact CD2-O 3.27Å; Y29-E43 WeakPolarHBondContact CD2-O 3.38Å; Y29-E43 VanDerWaalsContact CE2-O 3.3Å; Y29-E43 WeakPolarHBondContact CE2-O 3.48Å; Y29-Q45 PolarHBondContact OH-O 3.02Å; Y29-F46 VanDerWaalsContact OH-CA 3.31Å; Y29-F46 WeakPolarHBondContact OH-CA 3.18Å; Y29-F46 PolarHBondContact OH-N 2.84Å; Y29-V47 HydrophobicContact CD1-CG2 3.81Å; Y29-V47 HydrophobicContact CD2-CG2 4.18Å; Y29-V47 HydrophobicContact CE1-CG2 4.03Å; Y29-V47 HydrophobicContact CE2-CG2 4.39Å; Y29-V47 HydrophobicContact CG-CG2 3.88Å; Y29-Y226 WeakPolarHBondContact CE1-O 3.41Å; Y29-Y226 PolarHBondContact OH-O 3.44Å
30S89.3Confident96.6Very high96 Ų9653 Ų5367%0.67131%0.313SS*.  trans-8211.3-178.264.10000114.1P28P28-S30 PolarHBondContact O-N 2.69Å; P28-S30 VanDerWaalsContact O-N 3.14Å
31S91.3Very high96.6Very high34 Ų3454.8 Ų54.824%0.23833%0.325CS..  trans-69.5124.8-177.51770000110.1Y29 H33 W34Y29-S31 PolarHBondContact O-N 2.86Å; S31-H33 PolarHBondContact O-N 2.92Å; S31-H33 VanDerWaalsContact O-N 3.13Å; S31-H33 PolarHBondContact OG-N 3.38Å; S31-W34 PolarHBondContact O-N 2.94Å
32P93.6Very high96.7Very high102 Ų10248.7 Ų48.766%0.66231%0.307SS*.THydrogen-bonded Turntrans-72-2.9176.532.7-36.4000112.5
33H96.7Very high96.7Very high38 Ų3848.7 Ų48.718%0.17630%0.304CS..THydrogen-bonded Turntrans-93.3-15.8-177.5-56.7-34.3000113.3S31 N62 I63 K64S31-H33 PolarHBondContact O-N 2.92Å; S31-H33 VanDerWaalsContact O-N 3.13Å; S31-H33 PolarHBondContact OG-N 3.38Å; H33-N62 CarbonylContact O-C 3.48Å; H33-N62 VanDerWaalsContact O-CA 3.26Å; H33-N62 WeakPolarHBondContact O-CA 3.45Å; H33-I63 HydrophobicContact CB-CG1 4.21Å; H33-I63 WeakPolarHBondContact O-CG1 3.27Å; H33-I63 PolarHBondContact O-N 2.82Å; H33-K64 HydrophobicContact CB-CG 4.14Å; H33-K64 VanDerWaalsContact CE1-CE 3.43Å; H33-K64 WeakPolarHBondContact CE1-CE 3.23Å
34W98.2Very high96.6Very high15 Ų1553.4 Ų53.46%0.05734%0.335CS..EExtended strand (participates in β ladder)trans-100.6119.5178.2-71.891.8000110.4N23 S24 L25 S31 I60 F61 N62 I210 I228N23-W34 WeakPolarHBondContact O-CZ2 3.42Å; S24-W34 PolarHBondContact O-NE1 3.23Å; L25-W34 HydrophobicContact CB-CD2 3.89Å; L25-W34 HydrophobicContact CB-CE3 4.43Å; L25-W34 HydrophobicContact CB-CG 4.25Å; L25-W34 HydrophobicContact CB-CH2 4.34Å; L25-W34 HydrophobicContact CB-CZ2 3.8Å; L25-W34 HydrophobicContact CD1-CB 3.93Å; L25-W34 HydrophobicContact CD1-CD2 4.14Å; L25-W34 HydrophobicContact CD1-CG 3.73Å; L25-W34 HydrophobicContact CD2-CD2 4.34Å; L25-W34 HydrophobicContact CD2-CE3 4.27Å; L25-W34 HydrophobicContact CG-CD2 4.35Å; L25-W34 HydrophobicContact CG-CG 4.44Å; S31-W34 PolarHBondContact O-N 2.94Å; W34-I60 HydrophobicContact CB-CD1 3.94Å; W34-I60 HydrophobicContact CB-CG1 4.12Å; W34-I60 HydrophobicContact CE3-CG1 4.11Å; W34-I60 HydrophobicContact CE3-CG2 4.3Å; W34-F61 CarbonylContact C-O 3.49Å; W34-F61 VanDerWaalsContact CA-O 3.29Å; W34-F61 WeakPolarHBondContact CA-O 3.22Å; W34-N62 HydrophobicContact CD2-CB 4.12Å; W34-N62 HydrophobicContact CE3-CB 4.2Å; W34-N62 HydrophobicContact CH2-CB 4.21Å; W34-N62 HydrophobicContact CZ2-CB 4.12Å; W34-N62 HydrophobicContact CZ3-CB 4.25Å; W34-N62 PolarHBondContact NE1-ND2 2.84Å; W34-I210 HydrophobicContact CH2-CD1 3.79Å; W34-I210 HydrophobicContact CH2-CG1 4.06Å; W34-I210 HydrophobicContact CZ2-CD1 3.94Å; W34-I210 HydrophobicContact CZ2-CG1 4.49Å; W34-I228 HydrophobicContact CH2-CB 4.3Å; W34-I228 HydrophobicContact CH2-CD1 3.56Å; W34-I228 HydrophobicContact CH2-CG2 4.11Å; W34-I228 HydrophobicContact CZ2-CB 4.41Å; W34-I228 HydrophobicContact CZ2-CD1 4.37Å; W34-I228 HydrophobicContact CZ2-CG2 4.35Å; W34-I228 HydrophobicContact CZ3-CD1 3.78Å
35V98.2Very high96.5Very high55 Ų5560 Ų6033%0.33337%0.365SS..EExtended strand (participates in β ladder)trans-113.4115-174.8179.60000109I60 F61 I63V35-I60 WeakPolarHBondContact O-CA 3.34Å; V35-F61 HydrophobicContact CB-CD2 4.36Å; V35-F61 HydrophobicContact CB-CE1 4.25Å; V35-F61 HydrophobicContact CB-CE2 3.84Å; V35-F61 HydrophobicContact CB-CZ 3.78Å; V35-F61 HydrophobicContact CG1-CE1 4.26Å; V35-F61 HydrophobicContact CG1-CE2 4.38Å; V35-F61 HydrophobicContact CG1-CZ 3.84Å; V35-F61 HydrophobicContact CG2-CE2 4.35Å; V35-F61 PolarHBondContact N-O 3.05Å; V35-F61 PolarHBondContact O-N 2.85Å; V35-F61 VanDerWaalsContact O-N 3.13Å; V35-I63 HydrophobicContact CG2-CG2 3.63Å
36P98Very high96.5Very high56 Ų5661.3 Ų61.336%0.36437%0.371SS..EExtended strand (participates in β ladder)trans-77.8155.7175.433.1-35.4000111.1T40 I42 G59 I60P36-T40 HydrophobicContact CB-CG2 3.83Å; P36-I42 HydrophobicContact CB-CD1 4.49Å; P36-I42 HydrophobicContact CG-CD1 4.04Å; P36-G59 CarbonylContact C-O 3.57Å; P36-G59 WeakPolarHBondContact CA-O 3.43Å; P36-I60 HydrophobicContact CB-CD1 4.43Å; P36-I60 HydrophobicContact CB-CG1 4.31Å
37Y98.5Very high96.5Very high30 Ų3058.7 Ų58.712%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-145.9165172.570.8-93.1000111.9S39 T40 G58 G59 F61 P99 S101 G106 S213Y37-S39 PolarHBondContact O-N 3.36Å; Y37-T40 WeakPolarHBondContact O-CB 3.37Å; Y37-T40 PolarHBondContact O-N 3.13Å; Y37-T40 PolarHBondContact O-OG1 3.37Å; Y37-G58 WeakPolarHBondContact O-CA 3.45Å; Y37-G59 VanDerWaalsContact CD1-C 3.47Å; Y37-G59 WeakPolarHBondContact CD1-O 3.42Å; Y37-G59 VanDerWaalsContact CE1-C 3.41Å; Y37-G59 VanDerWaalsContact CZ-CA 3.5Å; Y37-G59 PolarHBondContact N-O 3.27Å; Y37-G59 PolarHBondContact O-N 2.89Å; Y37-G59 VanDerWaalsContact O-N 3.15Å; Y37-F61 AromaticContact CD1-CD1 3.72Å; Y37-F61 HydrophobicContact CD1-CD1 3.72Å; Y37-F61 AromaticContact CD1-CE1 3.88Å; Y37-F61 HydrophobicContact CD1-CE1 3.88Å; Y37-F61 AromaticContact CE1-CD1 3.95Å; Y37-F61 HydrophobicContact CE1-CD1 3.95Å; Y37-F61 HydrophobicContact CE1-CE1 4.47Å; Y37-P99 HydrophobicContact CE1-CB 4.47Å; Y37-S101 WeakPolarHBondContact CD2-OG 3.15Å; Y37-G106 VanDerWaalsContact CE2-O 3.32Å; Y37-G106 WeakPolarHBondContact CE2-O 3.48Å; Y37-G106 PolarHBondContact OH-O 3.3Å; Y37-S213 WeakPolarHBondContact OH-CB 3.47Å
38G98Very high96.6Very high60 Ų6057.8 Ų57.862%0.61934%0.342SS*.EExtended strand (participates in β ladder)trans63.5-133.5-179.500000111.9T40 Q57G38-T40 VanDerWaalsContact C-N 3.27Å; G38-T40 PolarHBondContact O-N 3.22Å; G38-Q57 WeakPolarHBondContact CA-O 3.14Å
39S98Very high96.8Very high36 Ų3653 Ų5325%0.25231%0.311SS..THydrogen-bonded Turntrans-82.74.9-178.160.70000114.8Y37 V41 L49 S56 Q57Y37-S39 PolarHBondContact O-N 3.36Å; S39-V41 PolarHBondContact O-N 3.34Å; S39-L49 CarbonylContact C-O 3.58Å; S39-L49 PolarHBondContact OG-O 3.31Å; S39-L49 VanDerWaalsContact OG-O 3.1Å; S39-S56 WeakPolarHBondContact CB-OG 3.16Å; S39-S56 PolarHBondContact OG-OG 2.73Å; S39-Q57 WeakPolarHBondContact CB-O 3.35Å; S39-Q57 PolarHBondContact N-O 2.78Å; S39-Q57 PolarHBondContact OG-O 2.58Å
40T98.5Very high96.9Very high18 Ų1852.3 Ų52.311%0.1131%0.308CS..  trans-65.6128.9-175.6-63.60000112.4P36 Y37 G38 V47 R48 L49 G59 I60P36-T40 HydrophobicContact CB-CG2 3.83Å; Y37-T40 WeakPolarHBondContact O-CB 3.37Å; Y37-T40 PolarHBondContact O-N 3.13Å; Y37-T40 PolarHBondContact O-OG1 3.37Å; G38-T40 VanDerWaalsContact C-N 3.27Å; G38-T40 PolarHBondContact O-N 3.22Å; T40-V47 HydrophobicContact CG2-CG1 3.51Å; T40-R48 CarbonylContact C-O 3.57Å; T40-R48 WeakPolarHBondContact CA-O 3.36Å; T40-L49 HydrophobicContact CG2-CD2 4.07Å; T40-L49 PolarHBondContact N-O 3.3Å; T40-L49 WeakPolarHBondContact OG1-CA 3.37Å; T40-L49 PolarHBondContact OG1-O 3.2Å; T40-G59 WeakPolarHBondContact OG1-CA 3.36Å; T40-G59 PolarHBondContact OG1-N 3.2Å; T40-G59 PolarHBondContact OG1-O 2.86Å; T40-I60 HydrophobicContact CG2-CB 4.48Å
41V98Very high97.3Very high67 Ų6749.6 Ų49.641%0.40629%0.289SS..EExtended strand (participates in β ladder)trans-117.4130.7176.6-1780000109S39 E43 R48S39-V41 PolarHBondContact O-N 3.34Å; V41-E43 HydrophobicContact CG1-CG 4.26Å; V41-E43 WeakPolarHBondContact CG1-OE1 3.4Å; V41-R48 PolarHBondContact N-O 3.05Å; V41-R48 PolarHBondContact O-N 2.86Å
42I97.9Very high97.5Very high73 Ų7349.2 Ų49.237%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-93.3106.9175-60.3175.9000107.7Y29 P36 V47 I60Y29-I42 HydrophobicContact CD2-CG2 4.01Å; Y29-I42 HydrophobicContact CG-CG2 4.13Å; P36-I42 HydrophobicContact CB-CD1 4.49Å; P36-I42 HydrophobicContact CG-CD1 4.04Å; I42-V47 HydrophobicContact CG1-CG1 4.31Å; I42-V47 HydrophobicContact CG1-CG2 4.26Å; I42-V47 HydrophobicContact CG2-CG2 4.31Å; I42-I60 HydrophobicContact CD1-CD1 4.39Å
43E96.8Very high97.6Very high84 Ų8449.1 Ų49.139%0.39328%0.277SS..  trans-94.9161.9174.4-64-68.7171.400110.3Y29 V41 Q45 F46Y29-E43 VanDerWaalsContact CD2-O 3.27Å; Y29-E43 WeakPolarHBondContact CD2-O 3.38Å; Y29-E43 VanDerWaalsContact CE2-O 3.3Å; Y29-E43 WeakPolarHBondContact CE2-O 3.48Å; V41-E43 HydrophobicContact CG1-CG 4.26Å; V41-E43 WeakPolarHBondContact CG1-OE1 3.4Å; E43-Q45 PolarHBondContact O-N 3.3Å; E43-Q45 VanDerWaalsContact O-N 3.16Å; E43-F46 CarbonylContact C-O 3.53Å; E43-F46 WeakPolarHBondContact CA-O 3.39Å; E43-F46 HydrophobicContact CB-CD2 4.13Å; E43-F46 HydrophobicContact CB-CE2 3.97Å; E43-F46 HydrophobicContact CB-CG 4.49Å; E43-F46 HydrophobicContact CB-CZ 4.21Å; E43-F46 VanDerWaalsContact CB-O 3.25Å; E43-F46 WeakPolarHBondContact CB-O 3.39Å; E43-F46 HydrophobicContact CG-CD2 4.2Å; E43-F46 HydrophobicContact CG-CE2 3.64Å; E43-F46 HydrophobicContact CG-CZ 3.99Å; E43-F46 PolarHBondContact N-O 2.76Å; E43-F46 VanDerWaalsContact O-O 3.05Å
44P96.1Very high97.5Very high107 Ų10753.4 Ų53.470%0.69530%0.296SS*.SBendtrans-59.5-27.2177.9-26.535.6000114.5
45Q95.9Very high97.4Very high144 Ų14457.5 Ų57.567%0.67333%0.326SS*.SBendtrans-105.4-23.8-174.2-65.9-176.9-51.600114.1Y29 E43 Y226Y29-Q45 PolarHBondContact OH-O 3.02Å; E43-Q45 PolarHBondContact O-N 3.3Å; E43-Q45 VanDerWaalsContact O-N 3.16Å; Q45-Y226 VanDerWaalsContact O-CD1 3.24Å; Q45-Y226 WeakPolarHBondContact O-CD1 3.23Å
46F97.9Very high97.3Very high30 Ų3055.5 Ų55.513%0.13232%0.315CS..  trans-157.7163.5-176.653.3-97.4000110.6Y29 E43 R48 D224 I225 Y226Y29-F46 VanDerWaalsContact OH-CA 3.31Å; Y29-F46 WeakPolarHBondContact OH-CA 3.18Å; Y29-F46 PolarHBondContact OH-N 2.84Å; E43-F46 CarbonylContact C-O 3.53Å; E43-F46 WeakPolarHBondContact CA-O 3.39Å; E43-F46 HydrophobicContact CB-CD2 4.13Å; E43-F46 HydrophobicContact CB-CE2 3.97Å; E43-F46 HydrophobicContact CB-CG 4.49Å; E43-F46 HydrophobicContact CB-CZ 4.21Å; E43-F46 VanDerWaalsContact CB-O 3.25Å; E43-F46 WeakPolarHBondContact CB-O 3.39Å; E43-F46 HydrophobicContact CG-CD2 4.2Å; E43-F46 HydrophobicContact CG-CE2 3.64Å; E43-F46 HydrophobicContact CG-CZ 3.99Å; E43-F46 PolarHBondContact N-O 2.76Å; E43-F46 VanDerWaalsContact O-O 3.05Å; F46-R48 HydrophobicContact CD2-CB 4.06Å; F46-R48 HydrophobicContact CE2-CB 3.93Å; F46-D224 HydrophobicContact CB-CB 4.27Å; F46-D224 HydrophobicContact CD2-CB 4.07Å; F46-D224 HydrophobicContact CG-CB 4.19Å; F46-I225 CarbonylContact C-O 3.49Å; F46-I225 WeakPolarHBondContact CA-O 3.06Å; F46-Y226 HydrophobicContact CB-CD1 3.86Å; F46-Y226 HydrophobicContact CB-CE1 3.88Å; F46-Y226 HydrophobicContact CD1-CE1 4.14Å; F46-Y226 HydrophobicContact CG-CE1 4.45Å
47V98.5Very high97.3Very high0 Ų056.6 Ų56.60%032%0.315CS..EExtended strand (participates in β ladder)trans-103114.6165.9178.80000108.1L25 Y29 T40 I42 L49 I60 I225L25-V47 HydrophobicContact CD2-CG2 4.17Å; Y29-V47 HydrophobicContact CD1-CG2 3.81Å; Y29-V47 HydrophobicContact CD2-CG2 4.18Å; Y29-V47 HydrophobicContact CE1-CG2 4.03Å; Y29-V47 HydrophobicContact CE2-CG2 4.39Å; Y29-V47 HydrophobicContact CG-CG2 3.88Å; T40-V47 HydrophobicContact CG2-CG1 3.51Å; I42-V47 HydrophobicContact CG1-CG1 4.31Å; I42-V47 HydrophobicContact CG1-CG2 4.26Å; I42-V47 HydrophobicContact CG2-CG2 4.31Å; V47-L49 HydrophobicContact CG1-CD2 4.2Å; V47-I60 HydrophobicContact CG1-CD1 4.14Å; V47-I60 HydrophobicContact CG1-CG2 4.36Å; V47-I225 HydrophobicContact CB-CB 4.45Å; V47-I225 PolarHBondContact N-O 2.72Å; V47-I225 PolarHBondContact O-N 2.96Å
48R98.5Very high97.3Very high54 Ų5455.2 Ų55.220%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-89.2114177.7177.9162-68.6166.31.1109.8T40 V41 F46 T50 S51 D224T40-R48 CarbonylContact C-O 3.57Å; T40-R48 WeakPolarHBondContact CA-O 3.36Å; V41-R48 PolarHBondContact N-O 3.05Å; V41-R48 PolarHBondContact O-N 2.86Å; F46-R48 HydrophobicContact CD2-CB 4.06Å; F46-R48 HydrophobicContact CE2-CB 3.93Å; R48-T50 WeakPolarHBondContact CG-O 3.19Å; R48-S51 VanDerWaalsContact CD-OG 3.28Å; R48-S51 WeakPolarHBondContact CD-OG 3.21Å; R48-D224 WeakPolarHBondContact CB-OD1 3.46Å; R48-D224 WeakPolarHBondContact CG-OD1 3.47Å; R48-D224 IonicContact CZ-OD1 2.69Å; R48-D224 IonicContact CZ-OD2 2.74Å; R48-D224 IonicContact NE-OD1 3.12Å; R48-D224 PolarHBondContact NE-OD1 3.12Å; R48-D224 IonicContact NE-OD2 3.1Å; R48-D224 IonicContact NH2-OD1 2.84Å; R48-D224 PolarHBondContact NH2-OD1 3.27Å; R48-D224 IonicContact NH2-OD2 3.36Å; R48-D224 PolarHBondContact NH2-OD2 2.69Å
49L98.6Very high97.3Very high0 Ų052.3 Ų52.30%028%0.28CS..SBendtrans-74.5-46.1-179.3-55.2-176.8000111.7S39 T40 V47 G58 I60 V212 A214 H223 I225S39-L49 CarbonylContact C-O 3.58Å; S39-L49 PolarHBondContact OG-O 3.31Å; S39-L49 VanDerWaalsContact OG-O 3.1Å; T40-L49 HydrophobicContact CG2-CD2 4.07Å; T40-L49 PolarHBondContact N-O 3.3Å; T40-L49 WeakPolarHBondContact OG1-CA 3.37Å; T40-L49 PolarHBondContact OG1-O 3.2Å; V47-L49 HydrophobicContact CG1-CD2 4.2Å; L49-G58 WeakPolarHBondContact O-CA 3.43Å; L49-I60 HydrophobicContact CD2-CB 4.49Å; L49-I60 HydrophobicContact CD2-CG2 3.98Å; L49-V212 HydrophobicContact CD1-CB 4.11Å; L49-V212 HydrophobicContact CD1-CG2 3.88Å; L49-V212 HydrophobicContact CD2-CG2 4.12Å; L49-A214 HydrophobicContact CB-CB 3.7Å; L49-A214 HydrophobicContact CD1-CB 4.1Å; L49-H223 HydrophobicContact CB-CB 4.25Å; L49-H223 PolarHBondContact N-O 3.28Å; L49-I225 HydrophobicContact CD1-CD1 4.15Å; L49-I225 HydrophobicContact CD1-CG1 3.87Å; L49-I225 HydrophobicContact CD2-CG1 4.2Å; L49-I225 HydrophobicContact CG-CG1 3.91Å
50T98.3Very high97.4Very high0 Ų050.7 Ų50.70%027%0.268CS..SBendtrans-141.2152.4172.354.20000109.6R48 A214 H223R48-T50 WeakPolarHBondContact CG-O 3.19Å; T50-A214 HydrophobicContact CG2-CB 4.02Å; T50-A214 WeakPolarHBondContact CG2-O 3.35Å; T50-H223 PolarHBondContact O-N 2.6Å; T50-H223 VanDerWaalsContact O-N 3.08Å; T50-H223 PolarHBondContact OG1-ND1 3.05Å
51S97.6Very high97.4Very high38 Ų3851.3 Ų51.327%0.26627%0.27SS..  trans-96.9166.9173-58.90000110.7R48 I53 D221 N222R48-S51 VanDerWaalsContact CD-OG 3.28Å; R48-S51 WeakPolarHBondContact CD-OG 3.21Å; S51-I53 PolarHBondContact O-N 2.73Å; S51-D221 CarbonylContact C-O 3.57Å; S51-N222 WeakPolarHBondContact CA-OD1 3.23Å
52D96.1Very high97.4Very high27 Ų2748.1 Ų48.114%0.14425%0.25CS..SBendtrans-69.955.8174.9-171.918000113.6S81 K83 S220 N222D52-S81 WeakPolarHBondContact OD2-CB 3.26Å; D52-S81 PolarHBondContact OD2-OG 2.77Å; D52-K83 PolarHBondContact O-NZ 2.92Å; D52-K83 IonicContact OD1-NZ 3.69Å; D52-K83 PolarHBondContact OD1-NZ 2.86Å; D52-K83 VanDerWaalsContact OD2-CE 3.23Å; D52-K83 WeakPolarHBondContact OD2-CE 3.32Å; D52-K83 IonicContact OD2-NZ 2.76Å; D52-K83 PolarHBondContact OD2-NZ 3.14Å; D52-K83 VanDerWaalsContact OD2-NZ 3.12Å; D52-S220 VanDerWaalsContact OD1-C 3.23Å; D52-S220 WeakPolarHBondContact OD1-CB 3.43Å; D52-S220 VanDerWaalsContact OD1-O 3.06Å; D52-S220 PolarHBondContact OD1-OG 3.3Å; D52-N222 PolarHBondContact N-OD1 2.95Å
53I95.5Very high97.4Very high99 Ų9948.3 Ų48.351%0.50825%0.251SS..SBendtrans-129.5154.4175.564174.3000109.1S51 T216 S220S51-I53 PolarHBondContact O-N 2.73Å; I53-T216 WeakPolarHBondContact O-CB 3.49Å; I53-T216 PolarHBondContact O-OG1 3.24Å; I53-S220 VanDerWaalsContact C-CB 3.47Å; I53-S220 WeakPolarHBondContact O-CB 3.49Å
54K95.2Very high97.5Very high129 Ų12948.4 Ų48.456%0.56125%0.25SS*.THydrogen-bonded Turntrans-74.1154.5-178.1-59.6-172.7-180-134.40112S56 G217 D218K54-S56 PolarHBondContact O-N 3.13Å; K54-G217 WeakPolarHBondContact CA-O 3.38Å; K54-G217 WeakPolarHBondContact CB-O 3.48Å; K54-D218 WeakPolarHBondContact CD-O 3.33Å; K54-D218 WeakPolarHBondContact CE-O 3.06Å; K54-D218 PolarHBondContact NZ-O 3.48Å
55S95.1Very high97.6Very high100 Ų10045 Ų4570%0.69923%0.228SC*.THydrogen-bonded Turntrans57.529.9168.9-480000115T216 G217S55-T216 WeakPolarHBondContact CA-O 3.5Å; S55-T216 PolarHBondContact N-O 3.48Å; S55-T216 VanDerWaalsContact N-O 3.17Å; S55-T216 PolarHBondContact N-OG1 3.15Å; S55-G217 PolarHBondContact N-O 3.25Å
56S96.6Very high97.7Very high13 Ų1338.1 Ų38.19%0.09120%0.196CC..  trans-95.5144.9174.2-155.90000112S39 K54 A215 T216S39-S56 WeakPolarHBondContact CB-OG 3.16Å; S39-S56 PolarHBondContact OG-OG 2.73Å; K54-S56 PolarHBondContact O-N 3.13Å; S56-A215 CarbonylContact O-C 3.59Å; S56-A215 WeakPolarHBondContact O-CA 3.18Å; S56-T216 WeakPolarHBondContact CA-OG1 3.24Å; S56-T216 WeakPolarHBondContact CB-OG1 3.49Å; S56-T216 PolarHBondContact N-O 3.43Å; S56-T216 PolarHBondContact N-OG1 3.09Å; S56-T216 PolarHBondContact O-N 2.79Å; S56-T216 PolarHBondContact O-OG1 3.36Å; S56-T216 VanDerWaalsContact O-OG1 3.1Å
57Q97.9Very high97.6Very high80 Ų8043.3 Ų43.337%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-140.7141.7172.6-61.4-1777.300109.8G38 S39 G102 A214 A215G38-Q57 WeakPolarHBondContact CA-O 3.14Å; S39-Q57 WeakPolarHBondContact CB-O 3.35Å; S39-Q57 PolarHBondContact N-O 2.78Å; S39-Q57 PolarHBondContact OG-O 2.58Å; Q57-G102 PolarHBondContact OE1-O 2.83Å; Q57-A214 WeakPolarHBondContact CA-O 3.44Å; Q57-A215 HydrophobicContact CG-CB 3.89Å
58G98.4Very high97.5Very high0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-162.8167.2177.600000112.2Y37 L49 S213 A214Y37-G58 WeakPolarHBondContact O-CA 3.45Å; L49-G58 WeakPolarHBondContact O-CA 3.43Å; G58-S213 CarbonylContact O-C 3.36Å; G58-S213 VanDerWaalsContact O-CA 3.26Å; G58-S213 WeakPolarHBondContact O-CA 3.48Å; G58-S213 WeakPolarHBondContact O-CB 3.3Å; G58-A214 PolarHBondContact N-O 3.02Å; G58-A214 PolarHBondContact O-N 3.26Å
59G98.6Very high97.3Very high0 Ų045 Ų450%023%0.226CC..EExtended strand (participates in β ladder)trans-168.3172.7172.200000112.4P36 Y37 T40 V212P36-G59 CarbonylContact C-O 3.57Å; P36-G59 WeakPolarHBondContact CA-O 3.43Å; Y37-G59 VanDerWaalsContact CD1-C 3.47Å; Y37-G59 WeakPolarHBondContact CD1-O 3.42Å; Y37-G59 VanDerWaalsContact CE1-C 3.41Å; Y37-G59 VanDerWaalsContact CZ-CA 3.5Å; Y37-G59 PolarHBondContact N-O 3.27Å; Y37-G59 PolarHBondContact O-N 2.89Å; Y37-G59 VanDerWaalsContact O-N 3.15Å; T40-G59 WeakPolarHBondContact OG1-CA 3.36Å; T40-G59 PolarHBondContact OG1-N 3.2Å; T40-G59 PolarHBondContact OG1-O 2.86Å; G59-V212 CarbonylContact C-O 3.56Å; G59-V212 WeakPolarHBondContact CA-O 3.37Å
60I98.7Very high97.2Very high1 Ų145.4 Ų45.41%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-139.5133.3173.3-164.5171.7000108.7L25 W34 V35 P36 T40 I42 V47 L49 G211 V212L25-I60 HydrophobicContact CD1-CD1 4.35Å; L25-I60 HydrophobicContact CD2-CD1 4.02Å; L25-I60 HydrophobicContact CD2-CG2 4.05Å; W34-I60 HydrophobicContact CB-CD1 3.94Å; W34-I60 HydrophobicContact CB-CG1 4.12Å; W34-I60 HydrophobicContact CE3-CG1 4.11Å; W34-I60 HydrophobicContact CE3-CG2 4.3Å; V35-I60 WeakPolarHBondContact O-CA 3.34Å; P36-I60 HydrophobicContact CB-CD1 4.43Å; P36-I60 HydrophobicContact CB-CG1 4.31Å; T40-I60 HydrophobicContact CG2-CB 4.48Å; I42-I60 HydrophobicContact CD1-CD1 4.39Å; V47-I60 HydrophobicContact CG1-CD1 4.14Å; V47-I60 HydrophobicContact CG1-CG2 4.36Å; L49-I60 HydrophobicContact CD2-CB 4.49Å; L49-I60 HydrophobicContact CD2-CG2 3.98Å; I60-G211 CarbonylContact O-C 3.56Å; I60-G211 VanDerWaalsContact O-CA 3.26Å; I60-G211 WeakPolarHBondContact O-CA 3.42Å; I60-V212 HydrophobicContact CG2-CG2 3.64Å; I60-V212 PolarHBondContact N-O 3.45Å; I60-V212 PolarHBondContact O-N 3.42Å
61F98.7Very high97.2Very high32 Ų3245.5 Ų45.514%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-131.8158.1-177.961.9-97.3000111.8W34 V35 Y37 I63 P98 P99 I210W34-F61 CarbonylContact C-O 3.49Å; W34-F61 VanDerWaalsContact CA-O 3.29Å; W34-F61 WeakPolarHBondContact CA-O 3.22Å; V35-F61 HydrophobicContact CB-CD2 4.36Å; V35-F61 HydrophobicContact CB-CE1 4.25Å; V35-F61 HydrophobicContact CB-CE2 3.84Å; V35-F61 HydrophobicContact CB-CZ 3.78Å; V35-F61 HydrophobicContact CG1-CE1 4.26Å; V35-F61 HydrophobicContact CG1-CE2 4.38Å; V35-F61 HydrophobicContact CG1-CZ 3.84Å; V35-F61 HydrophobicContact CG2-CE2 4.35Å; V35-F61 PolarHBondContact N-O 3.05Å; V35-F61 PolarHBondContact O-N 2.85Å; V35-F61 VanDerWaalsContact O-N 3.13Å; Y37-F61 AromaticContact CD1-CD1 3.72Å; Y37-F61 HydrophobicContact CD1-CD1 3.72Å; Y37-F61 AromaticContact CD1-CE1 3.88Å; Y37-F61 HydrophobicContact CD1-CE1 3.88Å; Y37-F61 AromaticContact CE1-CD1 3.95Å; Y37-F61 HydrophobicContact CE1-CD1 3.95Å; Y37-F61 HydrophobicContact CE1-CE1 4.47Å; F61-I63 HydrophobicContact CD2-CG2 4.26Å; F61-I63 HydrophobicContact CE2-CG2 3.82Å; F61-P98 HydrophobicContact CB-CB 4.47Å; F61-P98 HydrophobicContact CD1-CB 4.44Å; F61-P98 HydrophobicContact CD2-CB 3.43Å; F61-P98 VanDerWaalsContact CD2-CB 3.43Å; F61-P98 HydrophobicContact CD2-CG 4.27Å; F61-P98 HydrophobicContact CE2-CB 3.59Å; F61-P98 HydrophobicContact CE2-CG 4.24Å; F61-P98 HydrophobicContact CG-CB 3.88Å; F61-P98 HydrophobicContact CZ-CB 4.2Å; F61-P99 HydrophobicContact CB-CB 4.41Å; F61-P99 HydrophobicContact CB-CG 4.24Å; F61-P99 WeakPolarHBondContact CD1-O 3.4Å; F61-P99 WeakPolarHBondContact CE1-O 3.29Å; F61-I210 WeakPolarHBondContact CA-O 3.5Å
62N98.6Very high97.2Very high0 Ų045.6 Ų45.60%023%0.225CC..EExtended strand (participates in β ladder)trans-93131.8175.6-161.1-67000111.1D22 H33 W34 K64 F209 I210D22-N62 PolarHBondContact O-ND2 2.84Å; H33-N62 CarbonylContact O-C 3.48Å; H33-N62 VanDerWaalsContact O-CA 3.26Å; H33-N62 WeakPolarHBondContact O-CA 3.45Å; W34-N62 HydrophobicContact CD2-CB 4.12Å; W34-N62 HydrophobicContact CE3-CB 4.2Å; W34-N62 HydrophobicContact CH2-CB 4.21Å; W34-N62 HydrophobicContact CZ2-CB 4.12Å; W34-N62 HydrophobicContact CZ3-CB 4.25Å; W34-N62 PolarHBondContact NE1-ND2 2.84Å; N62-K64 VanDerWaalsContact C-N 3.35Å; N62-K64 WeakPolarHBondContact OD1-CA 3.2Å; N62-K64 WeakPolarHBondContact OD1-CB 3.45Å; N62-K64 PolarHBondContact OD1-N 2.84Å; N62-K64 PolarHBondContact OD1-O 2.57Å; N62-F209 WeakPolarHBondContact O-CD1 3.12Å; N62-I210 HydrophobicContact CB-CD1 4.46Å; N62-I210 HydrophobicContact CB-CG1 3.77Å; N62-I210 PolarHBondContact N-O 2.8Å
63I98.1Very high97.3Very high77 Ų7744.3 Ų44.340%0.39522%0.218SC..SBendtrans-83.2-8.1176.865.4176.2000113.7H33 V35 F61 F209H33-I63 HydrophobicContact CB-CG1 4.21Å; H33-I63 WeakPolarHBondContact O-CG1 3.27Å; H33-I63 PolarHBondContact O-N 2.82Å; V35-I63 HydrophobicContact CG2-CG2 3.63Å; F61-I63 HydrophobicContact CD2-CG2 4.26Å; F61-I63 HydrophobicContact CE2-CG2 3.82Å; I63-F209 WeakPolarHBondContact O-CE1 3.24Å
64K98.2Very high97.5Very high86 Ų8640.4 Ų40.437%0.37420%0.199SC..SBendtrans-92.8121.5174.8-62.8-69.1-170.2170.70108.6D22 N23 H33 N62D22-K64 HydrophobicContact CB-CG 4.49Å; N23-K64 PolarHBondContact ND2-O 2.83Å; H33-K64 HydrophobicContact CB-CG 4.14Å; H33-K64 VanDerWaalsContact CE1-CE 3.43Å; H33-K64 WeakPolarHBondContact CE1-CE 3.23Å; N62-K64 VanDerWaalsContact C-N 3.35Å; N62-K64 WeakPolarHBondContact OD1-CA 3.2Å; N62-K64 WeakPolarHBondContact OD1-CB 3.45Å; N62-K64 PolarHBondContact OD1-N 2.84Å; N62-K64 PolarHBondContact OD1-O 2.57Å
65P98.2Very high97.7Very high34 Ų3434.3 Ų34.322%0.22117%0.172CC..  trans-61.5141.7173.8-15.426.4000110.9F67 G207 Y208 F209P65-F67 HydrophobicContact CB-CD2 4.37Å; P65-F67 HydrophobicContact CB-CE1 4.49Å; P65-F67 HydrophobicContact CB-CE2 3.78Å; P65-F67 HydrophobicContact CB-CZ 3.85Å; P65-F67 HydrophobicContact CG-CE2 4.07Å; P65-F67 HydrophobicContact CG-CZ 4.06Å; P65-F67 WeakPolarHBondContact O-CD2 3.4Å; P65-G207 WeakPolarHBondContact CB-O 3.23Å; P65-Y208 CarbonylContact C-O 3.55Å; P65-Y208 WeakPolarHBondContact CA-O 3.25Å; P65-F209 HydrophobicContact CB-CE1 4.35Å; P65-F209 HydrophobicContact CG-CD1 4.42Å; P65-F209 HydrophobicContact CG-CE1 3.7Å; P65-F209 HydrophobicContact CG-CZ 3.82Å
66L98.3Very high97.8Very high1 Ų131.6 Ų31.61%0.00515%0.15CC..BIsolated β-bridgetrans-86.4110.6173.2172.664.3000108.7I20 A68 W71 Y94 G207 Y208 I210 T230I20-L66 HydrophobicContact CD1-CD1 3.44Å; I20-L66 VanDerWaalsContact CD1-CD1 3.44Å; L66-A68 HydrophobicContact CD1-CB 3.84Å; L66-A68 HydrophobicContact CG-CB 4.41Å; L66-W71 HydrophobicContact CD2-CB 4.12Å; L66-W71 HydrophobicContact CD2-CD2 4.03Å; L66-W71 HydrophobicContact CD2-CG 3.74Å; L66-Y94 HydrophobicContact CB-CE2 4.05Å; L66-Y94 HydrophobicContact CD2-CD2 4.31Å; L66-Y94 HydrophobicContact CD2-CE2 4.01Å; L66-Y94 HydrophobicContact CG-CE2 4.3Å; L66-G207 WeakPolarHBondContact O-CA 3.41Å; L66-G207 PolarHBondContact O-N 3Å; L66-Y208 PolarHBondContact N-O 3.47Å; L66-I210 HydrophobicContact CD2-CG2 4.04Å; L66-T230 HydrophobicContact CD1-CG2 3.91Å; L66-T230 HydrophobicContact CD2-CG2 4.17Å
67F96.5Very high97.9Very high139 Ų13931 Ų3161%0.6115%0.146SC*.  trans-93.6-9.8-178-70.3-76.3000114.1P65 R69P65-F67 HydrophobicContact CB-CD2 4.37Å; P65-F67 HydrophobicContact CB-CE1 4.49Å; P65-F67 HydrophobicContact CB-CE2 3.78Å; P65-F67 HydrophobicContact CB-CZ 3.85Å; P65-F67 HydrophobicContact CG-CE2 4.07Å; P65-F67 HydrophobicContact CG-CZ 4.06Å; P65-F67 WeakPolarHBondContact O-CD2 3.4Å; F67-R69 PolarHBondContact O-N 3.26Å
68A95.7Very high97.9Very high4 Ų428.3 Ų28.33%0.03313%0.133CC..  trans-57.3130.7175.700000110I20 L66 W71 E232I20-A68 HydrophobicContact CD1-CB 3.86Å; L66-A68 HydrophobicContact CD1-CB 3.84Å; L66-A68 HydrophobicContact CG-CB 4.41Å; A68-W71 HydrophobicContact CB-CB 4.1Å; A68-E232 HydrophobicContact CB-CB 3.99Å; A68-E232 HydrophobicContact CB-CG 3.88Å
69R93.9Very high97.9Very high84 Ų8428.4 Ų28.432%0.31713%0.133SC..SBendtrans-74.4-43.1178.9-70.6-179.6175.5-176.7-1.1111.5F67 Y176 T206 A243 F245F67-R69 PolarHBondContact O-N 3.26Å; R69-Y176 WeakPolarHBondContact O-CD1 3.38Å; R69-Y176 WeakPolarHBondContact O-CE1 3.47Å; R69-T206 HydrophobicContact CB-CG2 4.43Å; R69-T206 HydrophobicContact CG-CG2 3.76Å; R69-A243 PolarHBondContact NH2-O 3.11Å; R69-F245 VanDerWaalsContact NE-CD2 3.29Å
70D96.1Very high97.8Very high9 Ų930.5 Ų30.55%0.04814%0.143CC..SBendtrans-117.6124.7174.7-50.8-82.5000107Y176 A177 N178 L233 V235 R237D70-Y176 CarbonylContact C-O 3.47Å; D70-Y176 VanDerWaalsContact CA-O 3.23Å; D70-Y176 WeakPolarHBondContact CA-O 3.38Å; D70-A177 HydrophobicContact CB-CB 4.16Å; D70-A177 VanDerWaalsContact OD1-CA 3.27Å; D70-A177 WeakPolarHBondContact OD1-CA 3.47Å; D70-N178 PolarHBondContact OD1-N 3.14Å; D70-L233 HydrophobicContact CB-CB 3.99Å; D70-L233 HydrophobicContact CB-CD1 4.46Å; D70-L233 PolarHBondContact O-N 3.31Å; D70-V235 HydrophobicContact CB-CG2 4.03Å; D70-V235 VanDerWaalsContact CG-CG2 3.48Å; D70-V235 WeakPolarHBondContact OD2-CG2 3.42Å; D70-R237 IonicContact OD1-NH1 2.84Å; D70-R237 PolarHBondContact OD1-NH1 3.41Å; D70-R237 WeakPolarHBondContact OD2-CD 3.39Å; D70-R237 IonicContact OD2-NH1 3.57Å
71W98.3Very high97.6Very high2 Ų230.6 Ų30.61%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-142.4157.3-172.554.7-101.3000111.8L66 A68 V73 F92 Y94 L114 I174 Y176 L204 Y231L66-W71 HydrophobicContact CD2-CB 4.12Å; L66-W71 HydrophobicContact CD2-CD2 4.03Å; L66-W71 HydrophobicContact CD2-CG 3.74Å; A68-W71 HydrophobicContact CB-CB 4.1Å; W71-V73 HydrophobicContact CE3-CB 4.41Å; W71-V73 HydrophobicContact CE3-CG2 3.74Å; W71-V73 HydrophobicContact CZ3-CB 4.24Å; W71-V73 HydrophobicContact CZ3-CG2 3.85Å; W71-F92 HydrophobicContact CH2-CE1 4.02Å; W71-F92 HydrophobicContact CH2-CZ 4.25Å; W71-F92 HydrophobicContact CZ3-CE1 4.37Å; W71-F92 HydrophobicContact CZ3-CZ 4.32Å; W71-Y94 HydrophobicContact CZ2-CD1 4.28Å; W71-Y94 HydrophobicContact CZ2-CD2 4.43Å; W71-Y94 HydrophobicContact CZ2-CG 4.11Å; W71-L114 HydrophobicContact CH2-CD2 4.05Å; W71-L114 HydrophobicContact CZ2-CD2 4.38Å; W71-I174 HydrophobicContact CH2-CG2 3.99Å; W71-I174 HydrophobicContact CZ3-CB 4.37Å; W71-I174 HydrophobicContact CZ3-CG2 3.86Å; W71-I174 WeakPolarHBondContact CZ3-O 3.28Å; W71-Y176 HydrophobicContact CZ2-CG 4.35Å; W71-Y176 PolarHBondContact N-O 3.11Å; W71-Y176 AromaticContact NE1-CD1 3.64Å; W71-Y176 PolarHBondContact O-N 3.44Å; W71-L204 HydrophobicContact CZ2-CD1 4.36Å; W71-Y231 CarbonylContact C-O 3.48Å; W71-Y231 WeakPolarHBondContact CA-O 3.4Å; W71-Y231 WeakPolarHBondContact CB-O 3.37Å
72E98.7Very high97.2Very high40 Ų4035 Ų3519%0.18718%0.176CC..EExtended strand (participates in β ladder)trans-130.8127.3172.5-171.4169.991.800108.9V74 T173 I174 R175 T230 Y231 L233E72-V74 HydrophobicContact CG-CG2 4.23Å; E72-T173 HydrophobicContact CG-CG2 3.63Å; E72-I174 WeakPolarHBondContact CA-O 3.21Å; E72-R175 HydrophobicContact CG-CB 4.28Å; E72-R175 IonicContact OE2-CZ 3.9Å; E72-R175 IonicContact OE2-NH1 2.86Å; E72-R175 PolarHBondContact OE2-NH1 2.87Å; E72-T230 CarbonylContact O-C 3.54Å; E72-T230 WeakPolarHBondContact O-CA 3.5Å; E72-Y231 PolarHBondContact N-O 3.47Å; E72-Y231 PolarHBondContact O-N 3.36Å; E72-L233 HydrophobicContact CB-CD1 4.12Å; E72-L233 HydrophobicContact CB-CD2 3.98Å; E72-L233 HydrophobicContact CB-CG 4.25Å
73V98.8Very high96.8Very high0 Ų039.4 Ų39.40%020%0.195CC..EExtended strand (participates in β ladder)trans-111.4120.9172.81760000108.2W71 I75 F92 I174 I228 H229 T230W71-V73 HydrophobicContact CE3-CB 4.41Å; W71-V73 HydrophobicContact CE3-CG2 3.74Å; W71-V73 HydrophobicContact CZ3-CB 4.24Å; W71-V73 HydrophobicContact CZ3-CG2 3.85Å; V73-I75 HydrophobicContact CG1-CD1 4.37Å; V73-I75 HydrophobicContact CG1-CG1 3.87Å; V73-F92 HydrophobicContact CB-CE2 4.26Å; V73-F92 HydrophobicContact CB-CZ 4.3Å; V73-F92 HydrophobicContact CG1-CD2 4.33Å; V73-F92 HydrophobicContact CG1-CE2 3.82Å; V73-F92 HydrophobicContact CG1-CZ 4.36Å; V73-F92 HydrophobicContact CG2-CE2 4.16Å; V73-F92 HydrophobicContact CG2-CZ 4.02Å; V73-I174 PolarHBondContact N-O 2.57Å; V73-I174 PolarHBondContact O-N 3.39Å; V73-I228 HydrophobicContact CG1-CG2 3.69Å; V73-H229 CarbonylContact C-O 3.46Å; V73-H229 WeakPolarHBondContact CA-O 3.22Å; V73-T230 HydrophobicContact CG2-CG2 4.11Å
74V98.7Very high96Very high18 Ų1842.4 Ų42.411%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-109.2114176.4-174.50000108.3E72 M171 A172 T173 I228 H229 Y231E72-V74 HydrophobicContact CG-CG2 4.23Å; V74-M171 HydrophobicContact CG1-CE 4.19Å; V74-M171 HydrophobicContact CG1-CG 3.58Å; V74-M171 HydrophobicContact CG1-SD 3.6Å; V74-A172 CarbonylContact C-O 3.59Å; V74-A172 WeakPolarHBondContact CA-O 3.48Å; V74-T173 HydrophobicContact CG2-CG2 4.21Å; V74-I228 CarbonylContact O-C 3.41Å; V74-I228 WeakPolarHBondContact O-CA 3.39Å; V74-H229 HydrophobicContact CB-CB 4.36Å; V74-H229 PolarHBondContact N-O 3.44Å; V74-H229 PolarHBondContact O-N 3.19Å; V74-Y231 HydrophobicContact CG2-CD2 4.48Å; V74-Y231 HydrophobicContact CG2-CE2 4.14Å
75I98.8Very high95.4Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-104.9119.6179.7-51175.8000107.8V73 F77 F92 M171 A172 I174 V212 I225 S227 I228V73-I75 HydrophobicContact CG1-CD1 4.37Å; V73-I75 HydrophobicContact CG1-CG1 3.87Å; I75-F77 HydrophobicContact CB-CD1 4.45Å; I75-F77 HydrophobicContact CG2-CB 4.25Å; I75-F77 HydrophobicContact CG2-CD1 4.11Å; I75-F92 HydrophobicContact CD1-CB 3.91Å; I75-F92 HydrophobicContact CD1-CD2 3.85Å; I75-F92 HydrophobicContact CD1-CG 4.14Å; I75-M171 CarbonylContact O-C 3.52Å; I75-M171 VanDerWaalsContact O-CA 3.28Å; I75-M171 WeakPolarHBondContact O-CA 3.22Å; I75-A172 PolarHBondContact N-O 3.43Å; I75-A172 PolarHBondContact O-N 3.08Å; I75-I174 HydrophobicContact CD1-CD1 4.13Å; I75-V212 HydrophobicContact CD1-CG1 3.95Å; I75-I225 HydrophobicContact CG2-CD1 4.12Å; I75-I225 HydrophobicContact CG2-CG2 4.33Å; I75-S227 WeakPolarHBondContact CA-O 3.43Å; I75-I228 HydrophobicContact CG1-CG1 4.49Å; I75-I228 HydrophobicContact CG2-CG1 4.37Å
76L98.4Very high94.9Very high44 Ų4442.6 Ų42.623%0.2322%0.22CC..EExtended strand (participates in β ladder)trans-96.3121.6167.9-172.969000108.1M171 Y226 S227L76-M171 HydrophobicContact CD1-CB 4.35Å; L76-M171 HydrophobicContact CD1-CE 4.24Å; L76-Y226 HydrophobicContact CD2-CG 4.42Å; L76-Y226 HydrophobicContact CG-CD2 4.23Å; L76-Y226 HydrophobicContact CG-CG 4.45Å; L76-Y226 PolarHBondContact O-N 3.1Å; L76-S227 WeakPolarHBondContact CB-OG 3.24Å; L76-S227 PolarHBondContact N-O 2.82Å; L76-S227 PolarHBondContact O-N 2.82Å
77F98.5Very high94.4Very high1 Ų142.6 Ų42.60%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-145.7166.6-170.967.2-90000112.2I75 V79 F90 F118 F164 S170 A172 L185 D224 I225I75-F77 HydrophobicContact CB-CD1 4.45Å; I75-F77 HydrophobicContact CG2-CB 4.25Å; I75-F77 HydrophobicContact CG2-CD1 4.11Å; F77-V79 HydrophobicContact CD2-CG2 3.97Å; F77-V79 HydrophobicContact CE2-CG2 4.21Å; F77-F90 AromaticContact CD1-CZ 3.99Å; F77-F90 HydrophobicContact CD1-CZ 3.99Å; F77-F90 AromaticContact CD2-CE1 3.75Å; F77-F90 HydrophobicContact CD2-CE1 3.75Å; F77-F90 AromaticContact CD2-CZ 3.93Å; F77-F90 HydrophobicContact CD2-CZ 3.93Å; F77-F90 HydrophobicContact CE1-CZ 4.09Å; F77-F90 AromaticContact CE2-CE1 3.75Å; F77-F90 HydrophobicContact CE2-CE1 3.75Å; F77-F90 HydrophobicContact CE2-CZ 4.02Å; F77-F90 HydrophobicContact CG-CE1 4.19Å; F77-F90 AromaticContact CG-CZ 3.9Å; F77-F90 HydrophobicContact CG-CZ 3.9Å; F77-F90 HydrophobicContact CZ-CE1 4.21Å; F77-F90 HydrophobicContact CZ-CZ 4.1Å; F77-F118 HydrophobicContact CZ-CD1 4.37Å; F77-F118 HydrophobicContact CZ-CE1 4.46Å; F77-F164 HydrophobicContact CE2-CB 4.1Å; F77-F164 AromaticContact CE2-CD2 3.63Å; F77-F164 HydrophobicContact CE2-CD2 3.63Å; F77-F164 HydrophobicContact CE2-CE2 4.31Å; F77-F164 HydrophobicContact CE2-CG 4.03Å; F77-F164 HydrophobicContact CZ-CB 3.96Å; F77-F164 HydrophobicContact CZ-CD2 4.14Å; F77-F164 HydrophobicContact CZ-CG 4.07Å; F77-S170 WeakPolarHBondContact CD1-O 3.37Å; F77-S170 PolarHBondContact N-O 2.79Å; F77-S170 PolarHBondContact O-N 3Å; F77-S170 VanDerWaalsContact O-O 3.1Å; F77-A172 HydrophobicContact CE1-CB 3.74Å; F77-L185 HydrophobicContact CZ-CD2 4.44Å; F77-D224 CarbonylContact C-O 3.52Å; F77-D224 WeakPolarHBondContact CA-O 3.35Å; F77-D224 WeakPolarHBondContact CB-O 3.36Å; F77-I225 HydrophobicContact CB-CD1 3.91Å
78H97.9Very high94Very high22 Ų2236.8 Ų36.810%0.10220%0.195CC..EExtended strand (participates in β ladder)trans-142.2118.4173.5179.243.8000109.7H80 N167 D224 Y226H78-H80 AromaticContact CD2-CD2 3.07Å; H78-H80 PolarHBondContact CD2-CD2 2.85Å; H78-H80 AromaticContact CD2-CG 3.66Å; H78-H80 AromaticContact CD2-NE2 3.58Å; H78-H80 VanDerWaalsContact CE1-CB 3.43Å; H78-H80 WeakPolarHBondContact CE1-CB 3.31Å; H78-H80 AromaticContact CE1-CD2 3.83Å; H78-H80 AromaticContact CE1-CG 3.74Å; H78-H80 AromaticContact CG-CD2 3.57Å; H78-H80 AromaticContact ND1-CD2 4Å; H78-H80 AromaticContact NE2-CD2 3.26Å; H78-H80 PolarHBondContact NE2-CD2 2.67Å; H78-H80 VanDerWaalsContact NE2-CD2 3.26Å; H78-H80 AromaticContact NE2-CG 3.3Å; H78-H80 VanDerWaalsContact NE2-CG 3.3Å; H78-H80 AromaticContact NE2-NE2 3.89Å; H78-N167 PolarHBondContact CE1-O 2.58Å; H78-N167 PolarHBondContact ND1-O 2.83Å; H78-D224 HydrophobicContact CB-CB 4.41Å; H78-D224 PolarHBondContact N-O 2.68Å; H78-D224 PolarHBondContact O-N 3.22Å; H78-Y226 HydrophobicContact CB-CD2 4.43Å; H78-Y226 HydrophobicContact CB-CE2 3.61Å
79V97.6Very high94Very high2 Ų236.6 Ų36.61%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-107.5117.9172.7-177.40000107.9F77 F90 T120 F164 R165 N166 D221 N222F77-V79 HydrophobicContact CD2-CG2 3.97Å; F77-V79 HydrophobicContact CE2-CG2 4.21Å; V79-F90 HydrophobicContact CG2-CD1 3.93Å; V79-F90 HydrophobicContact CG2-CE1 3.98Å; V79-T120 HydrophobicContact CG1-CG2 4.08Å; V79-F164 HydrophobicContact CB-CE2 4.31Å; V79-F164 HydrophobicContact CG2-CD2 4.46Å; V79-F164 HydrophobicContact CG2-CE2 4.13Å; V79-R165 HydrophobicContact CG1-CG 4.29Å; V79-N166 PolarHBondContact O-N 2.85Å; V79-D221 HydrophobicContact CG1-CB 4.15Å; V79-N222 VanDerWaalsContact CA-O 3.3Å; V79-N222 WeakPolarHBondContact CA-O 3.18Å
80H96.5Very high94.2Very high44 Ų4432.7 Ų32.720%0.20418%0.179CC..EExtended strand (participates in β ladder)trans-155.4139.1-17269.599.5000116.2H78 N166 D221 N222 D224H78-H80 AromaticContact CD2-CD2 3.07Å; H78-H80 PolarHBondContact CD2-CD2 2.85Å; H78-H80 AromaticContact CD2-CG 3.66Å; H78-H80 AromaticContact CD2-NE2 3.58Å; H78-H80 VanDerWaalsContact CE1-CB 3.43Å; H78-H80 WeakPolarHBondContact CE1-CB 3.31Å; H78-H80 AromaticContact CE1-CD2 3.83Å; H78-H80 AromaticContact CE1-CG 3.74Å; H78-H80 AromaticContact CG-CD2 3.57Å; H78-H80 AromaticContact ND1-CD2 4Å; H78-H80 AromaticContact NE2-CD2 3.26Å; H78-H80 PolarHBondContact NE2-CD2 2.67Å; H78-H80 VanDerWaalsContact NE2-CD2 3.26Å; H78-H80 AromaticContact NE2-CG 3.3Å; H78-H80 VanDerWaalsContact NE2-CG 3.3Å; H78-H80 AromaticContact NE2-NE2 3.89Å; H80-N166 WeakPolarHBondContact CA-OD1 3.49Å; H80-D221 WeakPolarHBondContact CA-OD1 3.48Å; H80-D221 PolarHBondContact N-OD1 2.93Å; H80-N222 PolarHBondContact CE1-ND2 2.85Å; H80-N222 VanDerWaalsContact CE1-ND2 3.32Å; H80-N222 PolarHBondContact N-O 2.85Å; H80-N222 WeakPolarHBondContact NE2-CB 3.29Å; H80-N222 WeakPolarHBondContact O-CB 3.3Å; H80-N222 PolarHBondContact O-N 2.85Å; H80-N222 PolarHBondContact O-ND2 3.21Å; H80-D224 IonicContact CD2-OD2 2.82Å; H80-D224 IonicContact NE2-OD2 3.15Å; H80-D224 PolarHBondContact NE2-OD2 2.55Å
81S94.6Very high94.4Very high4 Ų432.2 Ų32.23%0.02818%0.177CC..  trans-152.7145169.6171.80000109.3D52 K83 R165 N166 D221D52-S81 WeakPolarHBondContact OD2-CB 3.26Å; D52-S81 PolarHBondContact OD2-OG 2.77Å; S81-K83 PolarHBondContact O-N 2.79Å; S81-K83 WeakPolarHBondContact OG-CB 3.27Å; S81-K83 WeakPolarHBondContact OG-CG 3.49Å; S81-K83 PolarHBondContact OG-N 3.06Å; S81-K83 VanDerWaalsContact OG-N 3.13Å; S81-R165 VanDerWaalsContact N-NH2 3.15Å; S81-R165 PolarHBondContact O-NH2 2.64Å; S81-N166 PolarHBondContact N-OD1 3.37Å; S81-D221 PolarHBondContact N-OD1 2.81Å
82P91.4Very high94.4Very high125 Ų12532.2 Ų32.281%0.81218%0.177SC*.SBendtrans-70.9-7.9172.631.7-37.1000113
83K89.9Confident94.4Very high92 Ų9230.4 Ų30.440%0.417%0.168SC..  trans-77.9153.4-179.6-60.2168.3-171.1160.30110.9D52 S81 V86 S220D52-K83 PolarHBondContact O-NZ 2.92Å; D52-K83 IonicContact OD1-NZ 3.69Å; D52-K83 PolarHBondContact OD1-NZ 2.86Å; D52-K83 VanDerWaalsContact OD2-CE 3.23Å; D52-K83 WeakPolarHBondContact OD2-CE 3.32Å; D52-K83 IonicContact OD2-NZ 2.76Å; D52-K83 PolarHBondContact OD2-NZ 3.14Å; D52-K83 VanDerWaalsContact OD2-NZ 3.12Å; S81-K83 PolarHBondContact O-N 2.79Å; S81-K83 WeakPolarHBondContact OG-CB 3.27Å; S81-K83 WeakPolarHBondContact OG-CG 3.49Å; S81-K83 PolarHBondContact OG-N 3.06Å; S81-K83 VanDerWaalsContact OG-N 3.13Å; K83-V86 HydrophobicContact CB-CG1 4Å; K83-S220 PolarHBondContact NZ-OG 3.25Å; K83-S220 VanDerWaalsContact NZ-OG 3.08Å
84T81.3Confident94.4Very high140 Ų14030.5 Ų30.586%0.85917%0.169SC*.SBendtrans-86.5-27.1175.955.40000113.2
85L84.9Confident94.4Very high113 Ų11329.9 Ų29.959%0.59217%0.165SC*.SBendtrans-111.2123.4173.6-67.3174.3000108.2L219L85-L219 HydrophobicContact CB-CD1 4.18Å; L85-L219 HydrophobicContact CB-CD2 3.8Å
86V87.9Confident94.4Very high11 Ų1133.5 Ų33.57%0.06718%0.182CC..  trans-147.1163-165.9-62.70000110.2K83 Y121 R165 L219 D221K83-V86 HydrophobicContact CB-CG1 4Å; V86-Y121 WeakPolarHBondContact O-CB 3.21Å; V86-Y121 WeakPolarHBondContact O-CD2 3.24Å; V86-R165 VanDerWaalsContact CG2-NE 3.34Å; V86-L219 VanDerWaalsContact C-CB 3.45Å; V86-L219 WeakPolarHBondContact O-CD1 3.41Å; V86-D221 HydrophobicContact CB-CB 4.47Å; V86-D221 WeakPolarHBondContact CB-OD2 3.34Å
87G87.3Confident94.4Very high0 Ų036.3 Ų36.30%019%0.194CC..  trans176174.3-177.500000112.8T120 S220 D221G87-T120 WeakPolarHBondContact CA-OG1 3.28Å; G87-S220 CarbonylContact O-C 3.55Å; G87-S220 WeakPolarHBondContact O-CA 3.26Å; G87-S220 PolarHBondContact O-N 3.01Å; G87-D221 PolarHBondContact O-N 3.5Å
88D89.7Confident94.3Very high17 Ų1738 Ų389%0.09121%0.205CC..  cis-98.4-30.5-10.7-62.1-44000110.3F105 T120 A215 G217D88-F105 HydrophobicContact CB-CE1 4.43Å; D88-T120 VanDerWaalsContact C-OG1 3.23Å; D88-T120 PolarHBondContact O-N 2.85Å; D88-T120 PolarHBondContact O-OG1 2.88Å; D88-A215 PolarHBondContact N-O 2.6Å; D88-G217 WeakPolarHBondContact OD2-CA 2.9Å; D88-G217 PolarHBondContact OD2-N 3.47Å
89G95.5Very high94.3Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans142.3-159.9175.700000112F105 F118 A214 A215 H223G89-F105 VanDerWaalsContact C-CD1 3.45Å; G89-F118 WeakPolarHBondContact CA-O 3.34Å; G89-A214 WeakPolarHBondContact O-CA 3.43Å; G89-A214 WeakPolarHBondContact O-CB 3.11Å; G89-A215 PolarHBondContact O-N 2.97Å; G89-H223 VanDerWaalsContact C-CD2 3.48Å; G89-H223 WeakPolarHBondContact CA-NE2 3.4Å; G89-H223 PolarHBondContact N-NE2 3.05Å; G89-H223 PolarHBondContact O-CD2 3.13Å; G89-H223 PolarHBondContact O-NE2 3.2Å
90F98.5Very high94.3Very high2 Ų239.2 Ų39.21%0.00922%0.215CC..EExtended strand (participates in β ladder)trans-136.7170.1173.880.3-82.8000111.7F77 V79 F118 S213 A214F77-F90 AromaticContact CD1-CZ 3.99Å; F77-F90 HydrophobicContact CD1-CZ 3.99Å; F77-F90 AromaticContact CD2-CE1 3.75Å; F77-F90 HydrophobicContact CD2-CE1 3.75Å; F77-F90 AromaticContact CD2-CZ 3.93Å; F77-F90 HydrophobicContact CD2-CZ 3.93Å; F77-F90 HydrophobicContact CE1-CZ 4.09Å; F77-F90 AromaticContact CE2-CE1 3.75Å; F77-F90 HydrophobicContact CE2-CE1 3.75Å; F77-F90 HydrophobicContact CE2-CZ 4.02Å; F77-F90 HydrophobicContact CG-CE1 4.19Å; F77-F90 AromaticContact CG-CZ 3.9Å; F77-F90 HydrophobicContact CG-CZ 3.9Å; F77-F90 HydrophobicContact CZ-CE1 4.21Å; F77-F90 HydrophobicContact CZ-CZ 4.1Å; V79-F90 HydrophobicContact CG2-CD1 3.93Å; V79-F90 HydrophobicContact CG2-CE1 3.98Å; F90-F118 HydrophobicContact CD1-CB 3.6Å; F90-F118 HydrophobicContact CD1-CD2 4.36Å; F90-F118 HydrophobicContact CD1-CG 4.09Å; F90-F118 AromaticContact CD2-CD2 3.95Å; F90-F118 HydrophobicContact CD2-CD2 3.95Å; F90-F118 HydrophobicContact CD2-CG 4.48Å; F90-F118 HydrophobicContact CE1-CB 3.39Å; F90-F118 AromaticContact CE1-CD1 3.98Å; F90-F118 HydrophobicContact CE1-CD1 3.98Å; F90-F118 AromaticContact CE1-CD2 3.91Å; F90-F118 HydrophobicContact CE1-CD2 3.91Å; F90-F118 AromaticContact CE1-CG 3.49Å; F90-F118 HydrophobicContact CE1-CG 3.49Å; F90-F118 VanDerWaalsContact CE1-CG 3.49Å; F90-F118 HydrophobicContact CE2-CB 4.44Å; F90-F118 AromaticContact CE2-CD2 3.44Å; F90-F118 HydrophobicContact CE2-CD2 3.44Å; F90-F118 VanDerWaalsContact CE2-CD2 3.44Å; F90-F118 AromaticContact CE2-CE2 3.74Å; F90-F118 HydrophobicContact CE2-CE2 3.74Å; F90-F118 AromaticContact CE2-CG 3.93Å; F90-F118 HydrophobicContact CE2-CG 3.93Å; F90-F118 HydrophobicContact CE2-CZ 4.45Å; F90-F118 HydrophobicContact CG-CB 4.22Å; F90-F118 HydrophobicContact CG-CD2 4.38Å; F90-F118 HydrophobicContact CZ-CB 3.86Å; F90-F118 AromaticContact CZ-CD1 3.78Å; F90-F118 HydrophobicContact CZ-CD1 3.78Å; F90-F118 AromaticContact CZ-CD2 3.42Å; F90-F118 HydrophobicContact CZ-CD2 3.42Å; F90-F118 VanDerWaalsContact CZ-CD2 3.42Å; F90-F118 HydrophobicContact CZ-CE1 4.17Å; F90-F118 AromaticContact CZ-CE2 3.84Å; F90-F118 HydrophobicContact CZ-CE2 3.84Å; F90-F118 AromaticContact CZ-CG 3.39Å; F90-F118 HydrophobicContact CZ-CG 3.39Å; F90-F118 HydrophobicContact CZ-CZ 4.19Å; F90-F118 PolarHBondContact N-O 2.95Å; F90-F118 VanDerWaalsContact N-O 3.14Å; F90-F118 WeakPolarHBondContact O-CA 3.32Å; F90-F118 WeakPolarHBondContact O-CB 3.2Å; F90-F118 PolarHBondContact O-N 2.89Å; F90-S213 CarbonylContact C-O 3.44Å; F90-S213 WeakPolarHBondContact CA-O 3.48Å; F90-S213 VanDerWaalsContact CB-O 3.23Å; F90-S213 WeakPolarHBondContact CB-O 3.31Å; F90-A214 HydrophobicContact CB-CB 3.79Å
91A98.7Very high94.4Very high0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans-138.3144.817800000111.5W93 F105 V116 F117 V212 S213A91-W93 HydrophobicContact CB-CZ2 3.79Å; A91-F105 HydrophobicContact CB-CB 3.82Å; A91-F105 HydrophobicContact CB-CG 4.34Å; A91-V116 CarbonylContact C-O 3.42Å; A91-V116 VanDerWaalsContact CA-O 3.24Å; A91-V116 WeakPolarHBondContact CA-O 3.42Å; A91-F117 HydrophobicContact CB-CD1 3.71Å; A91-F117 HydrophobicContact CB-CE1 4.14Å; A91-V212 CarbonylContact O-C 3.31Å; A91-V212 WeakPolarHBondContact O-CA 3.48Å; A91-S213 PolarHBondContact N-O 2.84Å; A91-S213 PolarHBondContact O-N 2.66Å
92F98.9Very high94.4Very high2 Ų240.9 Ų40.91%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-94.6144.5162.4167.1-96.2000110.1W71 V73 I75 A115 V116 F118 I174 I210 V212W71-F92 HydrophobicContact CH2-CE1 4.02Å; W71-F92 HydrophobicContact CH2-CZ 4.25Å; W71-F92 HydrophobicContact CZ3-CE1 4.37Å; W71-F92 HydrophobicContact CZ3-CZ 4.32Å; V73-F92 HydrophobicContact CB-CE2 4.26Å; V73-F92 HydrophobicContact CB-CZ 4.3Å; V73-F92 HydrophobicContact CG1-CD2 4.33Å; V73-F92 HydrophobicContact CG1-CE2 3.82Å; V73-F92 HydrophobicContact CG1-CZ 4.36Å; V73-F92 HydrophobicContact CG2-CE2 4.16Å; V73-F92 HydrophobicContact CG2-CZ 4.02Å; I75-F92 HydrophobicContact CD1-CB 3.91Å; I75-F92 HydrophobicContact CD1-CD2 3.85Å; I75-F92 HydrophobicContact CD1-CG 4.14Å; F92-A115 CarbonylContact O-C 3.11Å; F92-A115 VanDerWaalsContact O-CA 3.3Å; F92-A115 WeakPolarHBondContact O-CA 3.4Å; F92-V116 HydrophobicContact CB-CB 4.39Å; F92-V116 HydrophobicContact CD1-CB 4.48Å; F92-V116 HydrophobicContact CD1-CG2 4.26Å; F92-V116 PolarHBondContact N-O 2.88Å; F92-V116 PolarHBondContact O-N 2.85Å; F92-F118 HydrophobicContact CB-CE2 4.49Å; F92-I174 HydrophobicContact CB-CD1 3.66Å; F92-I174 HydrophobicContact CD1-CD1 3.38Å; F92-I174 HydrophobicContact CD1-CG2 4.44Å; F92-I174 HydrophobicContact CD2-CD1 4.24Å; F92-I174 HydrophobicContact CE1-CD1 4.06Å; F92-I174 HydrophobicContact CE1-CG2 4.27Å; F92-I174 HydrophobicContact CG-CD1 3.47Å; F92-I174 VanDerWaalsContact CG-CD1 3.47Å; F92-I210 HydrophobicContact CE2-CB 4.11Å; F92-I210 HydrophobicContact CE2-CG2 4.13Å; F92-I210 HydrophobicContact CZ-CB 4.43Å; F92-I210 HydrophobicContact CZ-CG2 3.97Å; F92-V212 HydrophobicContact CB-CG1 4.39Å; F92-V212 HydrophobicContact CD2-CG1 4.23Å
93W98.9Very high94.6Very high2 Ų238.5 Ų38.51%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-128.2139.6-177.5-57.592.2000110.9A91 T95 P99 A104 S107 F111 A115 F117 I210 G211 S213A91-W93 HydrophobicContact CB-CZ2 3.79Å; W93-T95 HydrophobicContact CB-CG2 4.24Å; W93-T95 HydrophobicContact CE3-CG2 3.9Å; W93-P99 HydrophobicContact CB-CG 3.5Å; W93-P99 HydrophobicContact CG-CB 4.26Å; W93-P99 HydrophobicContact CG-CG 3.73Å; W93-A104 HydrophobicContact CH2-CB 4.02Å; W93-A104 HydrophobicContact CZ2-CB 4.48Å; W93-A104 WeakPolarHBondContact CZ2-O 3.26Å; W93-S107 VanDerWaalsContact CE2-CB 3.43Å; W93-F111 HydrophobicContact CE3-CG 4.41Å; W93-F111 HydrophobicContact CH2-CD1 4.4Å; W93-F111 HydrophobicContact CH2-CE1 4.44Å; W93-F111 AromaticContact CZ3-CD1 3.6Å; W93-F111 HydrophobicContact CZ3-CD1 3.6Å; W93-F111 HydrophobicContact CZ3-CD2 4.34Å; W93-F111 AromaticContact CZ3-CE1 3.74Å; W93-F111 HydrophobicContact CZ3-CE1 3.74Å; W93-F111 HydrophobicContact CZ3-CE2 4.46Å; W93-F111 AromaticContact CZ3-CG 3.91Å; W93-F111 HydrophobicContact CZ3-CG 3.91Å; W93-F111 HydrophobicContact CZ3-CZ 4.17Å; W93-A115 HydrophobicContact CD2-CB 4.35Å; W93-A115 HydrophobicContact CE3-CB 3.6Å; W93-A115 HydrophobicContact CH2-CB 4.11Å; W93-A115 HydrophobicContact CZ3-CB 3.48Å; W93-A115 VanDerWaalsContact CZ3-CB 3.48Å; W93-F117 AromaticContact CH2-CE1 3.84Å; W93-F117 HydrophobicContact CH2-CE1 3.84Å; W93-F117 HydrophobicContact CH2-CZ 4.28Å; W93-F117 HydrophobicContact CZ2-CE1 4.16Å; W93-I210 WeakPolarHBondContact O-CA 3.32Å; W93-G211 PolarHBondContact N-O 2.76Å; W93-G211 PolarHBondContact O-N 3.16Å; W93-G211 VanDerWaalsContact O-N 3.09Å; W93-S213 PolarHBondContact NE1-OG 2.7Å
94Y98.8Very high94.9Very high2 Ų234.1 Ų34.11%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-131.292.9161.6176.1-104.3000108.1L66 W71 G113 L114 L204 P205 T206 Y208 F209 I210L66-Y94 HydrophobicContact CB-CE2 4.05Å; L66-Y94 HydrophobicContact CD2-CD2 4.31Å; L66-Y94 HydrophobicContact CD2-CE2 4.01Å; L66-Y94 HydrophobicContact CG-CE2 4.3Å; W71-Y94 HydrophobicContact CZ2-CD1 4.28Å; W71-Y94 HydrophobicContact CZ2-CD2 4.43Å; W71-Y94 HydrophobicContact CZ2-CG 4.11Å; Y94-G113 CarbonylContact O-C 3.51Å; Y94-G113 VanDerWaalsContact O-CA 3.32Å; Y94-G113 WeakPolarHBondContact O-CA 3.31Å; Y94-L114 PolarHBondContact N-O 3.48Å; Y94-L114 PolarHBondContact O-N 2.84Å; Y94-L204 HydrophobicContact CD1-CD1 4.23Å; Y94-L204 HydrophobicContact CE1-CB 4.11Å; Y94-P205 VanDerWaalsContact CE1-O 3.29Å; Y94-P205 WeakPolarHBondContact CE1-O 3.48Å; Y94-P205 PolarHBondContact OH-O 3.47Å; Y94-T206 WeakPolarHBondContact OH-CA 3.45Å; Y94-Y208 HydrophobicContact CD1-CD2 4.32Å; Y94-Y208 HydrophobicContact CE1-CD2 4.16Å; Y94-Y208 HydrophobicContact CE1-CG 4.19Å; Y94-F209 CarbonylContact C-O 3.58Å; Y94-F209 WeakPolarHBondContact CA-O 3.36Å; Y94-I210 HydrophobicContact CD2-CG2 3.78Å
95T98.7Very high95.6Very high4 Ų427.5 Ų27.53%0.02516%0.159CC..EExtended strand (participates in β ladder)trans-134.7153.6-163.655.10000113.9W93 H97 F111 R112 Y208 F209W93-T95 HydrophobicContact CB-CG2 4.24Å; W93-T95 HydrophobicContact CE3-CG2 3.9Å; T95-H97 PolarHBondContact O-N 2.82Å; T95-H97 VanDerWaalsContact O-N 3.15Å; T95-H97 PolarHBondContact OG1-O 2.87Å; T95-F111 HydrophobicContact CG2-CB 4.03Å; T95-F111 HydrophobicContact CG2-CD2 3.69Å; T95-F111 HydrophobicContact CG2-CG 4.15Å; T95-R112 CarbonylContact C-O 3.38Å; T95-R112 VanDerWaalsContact CA-O 3.28Å; T95-R112 WeakPolarHBondContact CA-O 3.36Å; T95-Y208 WeakPolarHBondContact O-CB 3.18Å; T95-F209 PolarHBondContact N-O 2.84Å; T95-F209 PolarHBondContact O-N 2.85Å
96Q98.2Very high96.2Very high77 Ų7722.1 Ų22.136%0.3613%0.131SC..SBendtrans-56-34.2-175.1-174.4-179.832.800113.5R112 Y208 F209Q96-R112 HydrophobicContact CB-CB 4.17Å; Q96-R112 PolarHBondContact N-O 2.82Å; Q96-Y208 HydrophobicContact CB-CD1 4.27Å; Q96-Y208 HydrophobicContact CB-CD2 4.33Å; Q96-Y208 HydrophobicContact CB-CE1 3.81Å; Q96-Y208 HydrophobicContact CB-CE2 3.86Å; Q96-Y208 HydrophobicContact CG-CE1 3.9Å; Q96-F209 WeakPolarHBondContact O-CD2 3.11Å; Q96-F209 VanDerWaalsContact O-CE2 3.31Å; Q96-F209 WeakPolarHBondContact O-CE2 3.38Å
97H98.2Very high96.7Very high103 Ų10321.7 Ų21.748%0.47713%0.129SC..SBendtrans-122.1143.3176.7-67.5-46.1000108.2T95 R108T95-H97 PolarHBondContact O-N 2.82Å; T95-H97 VanDerWaalsContact O-N 3.15Å; T95-H97 PolarHBondContact OG1-O 2.87Å; H97-R108 VanDerWaalsContact CB-NH2 3.29Å; H97-R108 PolarHBondContact O-NH2 3.02Å
98P98.1Very high97.2Very high37 Ų3725.2 Ų25.224%0.2414%0.142CC..  trans-49138.7178.4-2632.9000112.3F61 S100 R108 F209F61-P98 HydrophobicContact CB-CB 4.47Å; F61-P98 HydrophobicContact CD1-CB 4.44Å; F61-P98 HydrophobicContact CD2-CB 3.43Å; F61-P98 VanDerWaalsContact CD2-CB 3.43Å; F61-P98 HydrophobicContact CD2-CG 4.27Å; F61-P98 HydrophobicContact CE2-CB 3.59Å; F61-P98 HydrophobicContact CE2-CG 4.24Å; F61-P98 HydrophobicContact CG-CB 3.88Å; F61-P98 HydrophobicContact CZ-CB 4.2Å; P98-S100 PolarHBondContact O-N 2.96Å; P98-R108 PolarHBondContact O-NH2 2.79Å; P98-F209 HydrophobicContact CB-CB 4.46Å; P98-F209 HydrophobicContact CG-CB 4.23Å; P98-F209 HydrophobicContact CG-CD1 3.92Å; P98-F209 HydrophobicContact CG-CD2 4.03Å; P98-F209 HydrophobicContact CG-CE1 4.24Å; P98-F209 HydrophobicContact CG-CE2 4.36Å; P98-F209 HydrophobicContact CG-CG 3.78Å; P98-F209 HydrophobicContact CG-CZ 4.45Å
99P97.5Very high97.5Very high1 Ų126.6 Ų26.61%0.00615%0.149CC..  trans-48.7138.9172.1-30.836.5000111.8Y37 F61 W93 S107Y37-P99 HydrophobicContact CE1-CB 4.47Å; F61-P99 HydrophobicContact CB-CB 4.41Å; F61-P99 HydrophobicContact CB-CG 4.24Å; F61-P99 WeakPolarHBondContact CD1-O 3.4Å; F61-P99 WeakPolarHBondContact CE1-O 3.29Å; W93-P99 HydrophobicContact CB-CG 3.5Å; W93-P99 HydrophobicContact CG-CB 4.26Å; W93-P99 HydrophobicContact CG-CG 3.73Å; P99-S107 WeakPolarHBondContact CA-OG 3.26Å; P99-S107 WeakPolarHBondContact CB-OG 3.4Å
100S97Very high97.5Very high47 Ų4732.5 Ų32.533%0.32918%0.175SC..  trans-147.8152.2-179.564.60000108.7P98 G102 S107 R108P98-S100 PolarHBondContact O-N 2.96Å; S100-G102 PolarHBondContact O-N 3.23Å; S100-S107 PolarHBondContact N-OG 2.85Å; S100-S107 CarbonylContact O-C 3.57Å; S100-S107 VanDerWaalsContact O-CA 3.24Å; S100-S107 WeakPolarHBondContact O-CA 3.45Å; S100-S107 PolarHBondContact O-OG 3Å; S100-R108 PolarHBondContact O-N 2.83Å; S100-R108 WeakPolarHBondContact OG-CD 3.4Å; S100-R108 PolarHBondContact OG-NE 2.81Å
101S97.7Very high97.5Very high71 Ų7133 Ų3350%0.49718%0.177SC..SBendtrans-39.7135.3-176.3-56.20000114.5Y37 G106Y37-S101 WeakPolarHBondContact CD2-OG 3.15Å; S101-G106 WeakPolarHBondContact CA-O 3.26Å
102G96.4Very high97.4Very high13 Ų1335.6 Ų35.613%0.13419%0.187CC..  trans-179.7179.6178.400000112.3Q57 S100 G106 S107Q57-G102 PolarHBondContact OE1-O 2.83Å; S100-G102 PolarHBondContact O-N 3.23Å; G102-G106 CarbonylContact O-C 3.37Å; G102-G106 VanDerWaalsContact O-CA 3.3Å; G102-G106 WeakPolarHBondContact O-CA 3.38Å; G102-G106 PolarHBondContact O-N 3.13Å; G102-S107 CarbonylContact C-O 3.54Å; G102-S107 VanDerWaalsContact CA-C 3.45Å; G102-S107 WeakPolarHBondContact CA-O 3.28Å; G102-S107 PolarHBondContact O-N 2.93Å
103P94.4Very high97.4Very high75 Ų7535.5 Ų35.549%0.48719%0.186SC..THydrogen-bonded Turntrans-77-19.6-169.630.3-34.7000114.7F105 S107 D109P103-F105 PolarHBondContact O-N 3.38Å; P103-S107 VanDerWaalsContact N-O 3.17Å; P103-D109 HydrophobicContact CG-CB 3.99Å
104A95.7Very high97.4Very high0 Ų035.4 Ų35.40%019%0.186CC..BIsolated β-bridgetrans-85.893.4179.700000109.7W93 G106 S107 D109 Y146W93-A104 HydrophobicContact CH2-CB 4.02Å; W93-A104 HydrophobicContact CZ2-CB 4.48Å; W93-A104 WeakPolarHBondContact CZ2-O 3.26Å; A104-G106 PolarHBondContact O-N 2.99Å; A104-G106 VanDerWaalsContact O-N 3.08Å; A104-S107 PolarHBondContact N-O 2.76Å; A104-S107 PolarHBondContact O-N 3.33Å; A104-D109 HydrophobicContact CB-CB 4.22Å; A104-Y146 HydrophobicContact CB-CD1 3.66Å; A104-Y146 HydrophobicContact CB-CE1 4.49Å; A104-Y146 HydrophobicContact CB-CG 4.05Å
105F96.9Very high97.4Very high0 Ų035.3 Ų35.30%019%0.185CC..THydrogen-bonded Turntrans5038.7179-66.4-91.5000113.6D88 G89 A91 P103 F117 D119 Y146 H148 S213 A214D88-F105 HydrophobicContact CB-CE1 4.43Å; G89-F105 VanDerWaalsContact C-CD1 3.45Å; A91-F105 HydrophobicContact CB-CB 3.82Å; A91-F105 HydrophobicContact CB-CG 4.34Å; P103-F105 PolarHBondContact O-N 3.38Å; F105-F117 AromaticContact CD2-CD1 3.45Å; F105-F117 HydrophobicContact CD2-CD1 3.45Å; F105-F117 VanDerWaalsContact CD2-CD1 3.45Å; F105-F117 HydrophobicContact CD2-CE1 4.05Å; F105-F117 HydrophobicContact CD2-CG 4.34Å; F105-F117 HydrophobicContact CE2-CB 4.2Å; F105-F117 AromaticContact CE2-CD1 3.79Å; F105-F117 HydrophobicContact CE2-CD1 3.79Å; F105-F117 HydrophobicContact CE2-CG 4.25Å; F105-F117 HydrophobicContact CG-CD1 4.27Å; F105-D119 HydrophobicContact CE1-CB 4.38Å; F105-D119 HydrophobicContact CZ-CB 3.92Å; F105-Y146 HydrophobicContact CD2-CE1 4.15Å; F105-Y146 AromaticContact CE2-CE1 3.82Å; F105-Y146 HydrophobicContact CE2-CE1 3.82Å; F105-Y146 AromaticContact CE2-CZ 3.8Å; F105-Y146 WeakPolarHBondContact CE2-OH 3.42Å; F105-H148 AromaticContact CE2-ND1 3.83Å; F105-H148 AromaticContact CZ-CE1 3.94Å; F105-S213 CarbonylContact O-C 3.58Å; F105-S213 VanDerWaalsContact O-CB 3.25Å; F105-S213 WeakPolarHBondContact O-CB 3.37Å; F105-S213 PolarHBondContact O-OG 2.7Å; F105-A214 CarbonylContact O-C 3.55Å; F105-A214 VanDerWaalsContact O-C 3.31Å; F105-A214 VanDerWaalsContact O-CA 3.29Å; F105-A214 WeakPolarHBondContact O-CA 3.32Å; F105-A214 PolarHBondContact O-N 3.12Å; F105-A214 VanDerWaalsContact O-N 3.09Å
106G97.3Very high97.3Very high0 Ų035.1 Ų35.10%018%0.184CC..THydrogen-bonded Turntrans83.59.1-179.800000114.4Y37 S101 G102 A104Y37-G106 VanDerWaalsContact CE2-O 3.32Å; Y37-G106 WeakPolarHBondContact CE2-O 3.48Å; Y37-G106 PolarHBondContact OH-O 3.3Å; S101-G106 WeakPolarHBondContact CA-O 3.26Å; G102-G106 CarbonylContact O-C 3.37Å; G102-G106 VanDerWaalsContact O-CA 3.3Å; G102-G106 WeakPolarHBondContact O-CA 3.38Å; G102-G106 PolarHBondContact O-N 3.13Å; A104-G106 PolarHBondContact O-N 2.99Å; A104-G106 VanDerWaalsContact O-N 3.08Å
107S98.1Very high97.3Very high3 Ų331.5 Ų31.52%0.02117%0.167CC..BIsolated β-bridgetrans-128.4176.1169.7-143.50000113.3W93 P99 S100 G102 P103 A104 D109W93-S107 VanDerWaalsContact CE2-CB 3.43Å; P99-S107 WeakPolarHBondContact CA-OG 3.26Å; P99-S107 WeakPolarHBondContact CB-OG 3.4Å; S100-S107 PolarHBondContact N-OG 2.85Å; S100-S107 CarbonylContact O-C 3.57Å; S100-S107 VanDerWaalsContact O-CA 3.24Å; S100-S107 WeakPolarHBondContact O-CA 3.45Å; S100-S107 PolarHBondContact O-OG 3Å; G102-S107 CarbonylContact C-O 3.54Å; G102-S107 VanDerWaalsContact CA-C 3.45Å; G102-S107 WeakPolarHBondContact CA-O 3.28Å; G102-S107 PolarHBondContact O-N 2.93Å; P103-S107 VanDerWaalsContact N-O 3.17Å; A104-S107 PolarHBondContact N-O 2.76Å; A104-S107 PolarHBondContact O-N 3.33Å; S107-D109 PolarHBondContact O-N 2.88Å
108R97.3Very high97.3Very high74 Ų7426.6 Ų26.628%0.27915%0.145SC..  trans-62.7134.2179.1-65.3174.1-69.8-177.8-6.5111.2H97 P98 S100 K110H97-R108 VanDerWaalsContact CB-NH2 3.29Å; H97-R108 PolarHBondContact O-NH2 3.02Å; P98-R108 PolarHBondContact O-NH2 2.79Å; S100-R108 PolarHBondContact O-N 2.83Å; S100-R108 WeakPolarHBondContact OG-CD 3.4Å; S100-R108 PolarHBondContact OG-NE 2.81Å; R108-K110 WeakPolarHBondContact CB-O 3.38Å
109D96.1Very high97.1Very high46 Ų4624.9 Ų24.925%0.24613%0.134CC..SBendtrans-71.8-30.5172.660.7-37.6000113P103 A104 S107 S145 Y146P103-D109 HydrophobicContact CG-CB 3.99Å; A104-D109 HydrophobicContact CB-CB 4.22Å; S107-D109 PolarHBondContact O-N 2.88Å; D109-S145 WeakPolarHBondContact OD2-CB 3.3Å; D109-S145 PolarHBondContact OD2-OG 2.86Å; D109-Y146 PolarHBondContact O-N 2.93Å
110K96.3Very high96.9Very high124 Ų12425.4 Ų25.454%0.53914%0.137SC..SBendtrans-95.7115.4169-64.4-169.8-179.8-175.80109.9R108 S145R108-K110 WeakPolarHBondContact CB-O 3.38Å; K110-S145 WeakPolarHBondContact CE-OG 3.3Å; K110-S145 VanDerWaalsContact CG-OG 3.23Å; K110-S145 WeakPolarHBondContact CG-OG 3.48Å
111F97.7Very high96.5Very high11 Ų1127.3 Ų27.35%0.04814%0.138CC..  trans-145.6165.4178.964.4-86.4000109.7W93 T95 A115 M138 N140 G142W93-F111 HydrophobicContact CE3-CG 4.41Å; W93-F111 HydrophobicContact CH2-CD1 4.4Å; W93-F111 HydrophobicContact CH2-CE1 4.44Å; W93-F111 AromaticContact CZ3-CD1 3.6Å; W93-F111 HydrophobicContact CZ3-CD1 3.6Å; W93-F111 HydrophobicContact CZ3-CD2 4.34Å; W93-F111 AromaticContact CZ3-CE1 3.74Å; W93-F111 HydrophobicContact CZ3-CE1 3.74Å; W93-F111 HydrophobicContact CZ3-CE2 4.46Å; W93-F111 AromaticContact CZ3-CG 3.91Å; W93-F111 HydrophobicContact CZ3-CG 3.91Å; W93-F111 HydrophobicContact CZ3-CZ 4.17Å; T95-F111 HydrophobicContact CG2-CB 4.03Å; T95-F111 HydrophobicContact CG2-CD2 3.69Å; T95-F111 HydrophobicContact CG2-CG 4.15Å; F111-A115 HydrophobicContact CE1-CB 4.18Å; F111-A115 HydrophobicContact CE2-CB 3.92Å; F111-A115 HydrophobicContact CZ-CB 3.55Å; F111-M138 HydrophobicContact CE1-CE 4.2Å; F111-M138 HydrophobicContact CE1-SD 3.62Å; F111-M138 HydrophobicContact CZ-CB 4.21Å; F111-M138 HydrophobicContact CZ-CE 4.3Å; F111-M138 HydrophobicContact CZ-CG 3.91Å; F111-M138 HydrophobicContact CZ-SD 3.57Å; F111-M138 VanDerWaalsContact CZ-SD 3.57Å; F111-N140 HydrophobicContact CD2-CB 4.01Å; F111-N140 HydrophobicContact CE1-CB 4.33Å; F111-N140 HydrophobicContact CE2-CB 3.66Å; F111-N140 HydrophobicContact CZ-CB 3.84Å; F111-N140 WeakPolarHBondContact O-CB 3.31Å; F111-N140 PolarHBondContact O-ND2 3.19Å; F111-N140 VanDerWaalsContact O-ND2 3.08Å; F111-G142 VanDerWaalsContact O-CA 3.3Å; F111-G142 WeakPolarHBondContact O-CA 3.5Å; F111-G142 PolarHBondContact O-N 2.75Å
112R98Very high95.7Very high55 Ų5525.1 Ų25.121%0.20812%0.123CC..EExtended strand (participates in β ladder)trans-122.2116.9173.9-177.7172164132.3-9.4108.5T95 Q96 N140 D141 Y208 E249 P250T95-R112 CarbonylContact C-O 3.38Å; T95-R112 VanDerWaalsContact CA-O 3.28Å; T95-R112 WeakPolarHBondContact CA-O 3.36Å; Q96-R112 HydrophobicContact CB-CB 4.17Å; Q96-R112 PolarHBondContact N-O 2.82Å; R112-N140 CarbonylContact C-O 3.57Å; R112-N140 VanDerWaalsContact CA-O 3.25Å; R112-N140 WeakPolarHBondContact CA-O 3.31Å; R112-D141 WeakPolarHBondContact CD-O 3.24Å; R112-D141 WeakPolarHBondContact CG-O 3.06Å; R112-Y208 HydrophobicContact CG-CE2 4.34Å; R112-Y208 PolarHBondContact NE-OH 2.83Å; R112-Y208 WeakPolarHBondContact O-CE2 3.39Å; R112-E249 IonicContact CZ-OE1 3.72Å; R112-E249 IonicContact CZ-OE2 3.44Å; R112-E249 IonicContact NE-OE2 2.81Å; R112-E249 IonicContact NH1-OE1 3.99Å; R112-E249 PolarHBondContact NH1-OE1 3.03Å; R112-E249 IonicContact NH1-OE2 2.58Å; R112-E249 PolarHBondContact NH1-OE2 2.84Å; R112-E249 IonicContact NH2-OE1 3.48Å; R112-E249 PolarHBondContact NH2-OE1 3.14Å; R112-E249 IonicContact NH2-OE2 2.73Å; R112-E249 PolarHBondContact NH2-OE2 3.15Å; R112-P250 HydrophobicContact CG-CG 3.82Å
113G98.1Very high94.9Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans136.2-145.1-174.200000113Y94 I139 N140Y94-G113 CarbonylContact O-C 3.51Å; Y94-G113 VanDerWaalsContact O-CA 3.32Å; Y94-G113 WeakPolarHBondContact O-CA 3.31Å; G113-I139 WeakPolarHBondContact O-CA 3.45Å; G113-N140 PolarHBondContact N-O 3.29Å; G113-N140 PolarHBondContact O-N 2.77Å
114L98.4Very high93.8Very high0 Ų024.7 Ų24.70%011%0.113CC..EExtended strand (participates in β ladder)trans-114.7140.7179.816969.7000110.1W71 Y94 V116 A137 M138 I139 L181 L204W71-L114 HydrophobicContact CH2-CD2 4.05Å; W71-L114 HydrophobicContact CZ2-CD2 4.38Å; Y94-L114 PolarHBondContact N-O 3.48Å; Y94-L114 PolarHBondContact O-N 2.84Å; L114-V116 HydrophobicContact CD1-CG2 4.3Å; L114-V116 HydrophobicContact CD2-CG2 4.41Å; L114-V116 HydrophobicContact CG-CG2 4.35Å; L114-A137 HydrophobicContact CD1-CB 4.25Å; L114-M138 WeakPolarHBondContact CA-O 3.33Å; L114-I139 HydrophobicContact CD1-CG1 4.05Å; L114-L181 HydrophobicContact CD1-CD2 3.71Å; L114-L181 HydrophobicContact CD2-CD1 3.87Å; L114-L181 HydrophobicContact CD2-CD2 4.26Å; L114-L204 HydrophobicContact CB-CD1 4Å; L114-L204 HydrophobicContact CB-CD2 3.98Å; L114-L204 HydrophobicContact CD2-CD1 3.99Å
115A98.5Very high92.2Very high0 Ų031.8 Ų31.80%015%0.151CC..EExtended strand (participates in β ladder)trans-126.5141.8163.200000109.9F92 W93 F111 F117 A137 M138F92-A115 CarbonylContact O-C 3.11Å; F92-A115 VanDerWaalsContact O-CA 3.3Å; F92-A115 WeakPolarHBondContact O-CA 3.4Å; W93-A115 HydrophobicContact CD2-CB 4.35Å; W93-A115 HydrophobicContact CE3-CB 3.6Å; W93-A115 HydrophobicContact CH2-CB 4.11Å; W93-A115 HydrophobicContact CZ3-CB 3.48Å; W93-A115 VanDerWaalsContact CZ3-CB 3.48Å; F111-A115 HydrophobicContact CE1-CB 4.18Å; F111-A115 HydrophobicContact CE2-CB 3.92Å; F111-A115 HydrophobicContact CZ-CB 3.55Å; A115-F117 HydrophobicContact CB-CE1 3.91Å; A115-F117 HydrophobicContact CB-CE2 3.79Å; A115-F117 HydrophobicContact CB-CZ 3.37Å; A115-A137 WeakPolarHBondContact O-CA 3.25Å; A115-M138 PolarHBondContact N-O 3.33Å; A115-M138 PolarHBondContact O-N 2.92Å
116V98.5Very high90.7Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-121.1115.8170.4-177.30000107.6A91 F92 L114 F118 V135 S136 A137 I174 V183A91-V116 CarbonylContact C-O 3.42Å; A91-V116 VanDerWaalsContact CA-O 3.24Å; A91-V116 WeakPolarHBondContact CA-O 3.42Å; F92-V116 HydrophobicContact CB-CB 4.39Å; F92-V116 HydrophobicContact CD1-CB 4.48Å; F92-V116 HydrophobicContact CD1-CG2 4.26Å; F92-V116 PolarHBondContact N-O 2.88Å; F92-V116 PolarHBondContact O-N 2.85Å; L114-V116 HydrophobicContact CD1-CG2 4.3Å; L114-V116 HydrophobicContact CD2-CG2 4.41Å; L114-V116 HydrophobicContact CG-CG2 4.35Å; V116-F118 HydrophobicContact CB-CE2 4.31Å; V116-F118 HydrophobicContact CG1-CE2 3.81Å; V116-F118 HydrophobicContact CG1-CZ 3.97Å; V116-V135 HydrophobicContact CG1-CG1 3.98Å; V116-S136 CarbonylContact C-O 3.43Å; V116-S136 VanDerWaalsContact CA-O 3.3Å; V116-S136 WeakPolarHBondContact CA-O 3.41Å; V116-A137 HydrophobicContact CG2-CB 4.41Å; V116-I174 HydrophobicContact CB-CD1 4.14Å; V116-I174 HydrophobicContact CG1-CD1 4.4Å; V116-I174 HydrophobicContact CG2-CD1 4.1Å; V116-I174 HydrophobicContact CG2-CG2 4.19Å; V116-V183 HydrophobicContact CG1-CG2 4.39Å; V116-V183 HydrophobicContact CG2-CG2 4.46Å
117F97.8Very high88.8Confident1 Ų142 Ų420%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-97137.6-175.8-52.9-76.7000110.1A91 W93 F105 A115 V135 S136 M138 Y146A91-F117 HydrophobicContact CB-CD1 3.71Å; A91-F117 HydrophobicContact CB-CE1 4.14Å; W93-F117 AromaticContact CH2-CE1 3.84Å; W93-F117 HydrophobicContact CH2-CE1 3.84Å; W93-F117 HydrophobicContact CH2-CZ 4.28Å; W93-F117 HydrophobicContact CZ2-CE1 4.16Å; F105-F117 AromaticContact CD2-CD1 3.45Å; F105-F117 HydrophobicContact CD2-CD1 3.45Å; F105-F117 VanDerWaalsContact CD2-CD1 3.45Å; F105-F117 HydrophobicContact CD2-CE1 4.05Å; F105-F117 HydrophobicContact CD2-CG 4.34Å; F105-F117 HydrophobicContact CE2-CB 4.2Å; F105-F117 AromaticContact CE2-CD1 3.79Å; F105-F117 HydrophobicContact CE2-CD1 3.79Å; F105-F117 HydrophobicContact CE2-CG 4.25Å; F105-F117 HydrophobicContact CG-CD1 4.27Å; A115-F117 HydrophobicContact CB-CE1 3.91Å; A115-F117 HydrophobicContact CB-CE2 3.79Å; A115-F117 HydrophobicContact CB-CZ 3.37Å; F117-V135 CarbonylContact O-C 3.58Å; F117-V135 VanDerWaalsContact O-CA 3.22Å; F117-V135 WeakPolarHBondContact O-CA 3.45Å; F117-S136 PolarHBondContact N-O 2.93Å; F117-S136 PolarHBondContact O-N 2.65Å; F117-M138 HydrophobicContact CE2-CB 3.69Å; F117-M138 HydrophobicContact CZ-CB 4.42Å; F117-Y146 HydrophobicContact CD1-CE2 4.1Å; F117-Y146 HydrophobicContact CD2-CD2 4.23Å; F117-Y146 AromaticContact CD2-CE2 3.59Å; F117-Y146 HydrophobicContact CD2-CE2 3.59Å; F117-Y146 AromaticContact CE1-CD2 3.92Å; F117-Y146 HydrophobicContact CE1-CD2 3.92Å; F117-Y146 AromaticContact CE1-CE2 3.85Å; F117-Y146 HydrophobicContact CE1-CE2 3.85Å; F117-Y146 HydrophobicContact CE1-CG 4.3Å; F117-Y146 AromaticContact CE2-CD2 3.45Å; F117-Y146 HydrophobicContact CE2-CD2 3.45Å; F117-Y146 VanDerWaalsContact CE2-CD2 3.45Å; F117-Y146 AromaticContact CE2-CE2 3.28Å; F117-Y146 HydrophobicContact CE2-CE2 3.28Å; F117-Y146 AromaticContact CG-CE2 3.98Å; F117-Y146 HydrophobicContact CG-CE2 3.98Å; F117-Y146 AromaticContact CZ-CD2 3.26Å; F117-Y146 HydrophobicContact CZ-CD2 3.26Å; F117-Y146 AromaticContact CZ-CE2 3.43Å; F117-Y146 HydrophobicContact CZ-CE2 3.43Å; F117-Y146 VanDerWaalsContact CZ-CE2 3.43Å; F117-Y146 AromaticContact CZ-CG 3.93Å; F117-Y146 HydrophobicContact CZ-CG 3.93Å
118F97.8Very high87.1Confident0 Ų045.6 Ų45.60%023%0.225CC..EExtended strand (participates in β ladder)trans-118.180.2176.1-63-98.1000106.9F77 G89 F90 F92 V116 V135 F164 A172 L185F77-F118 HydrophobicContact CZ-CD1 4.37Å; F77-F118 HydrophobicContact CZ-CE1 4.46Å; G89-F118 WeakPolarHBondContact CA-O 3.34Å; F90-F118 HydrophobicContact CD1-CB 3.6Å; F90-F118 HydrophobicContact CD1-CD2 4.36Å; F90-F118 HydrophobicContact CD1-CG 4.09Å; F90-F118 AromaticContact CD2-CD2 3.95Å; F90-F118 HydrophobicContact CD2-CD2 3.95Å; F90-F118 HydrophobicContact CD2-CG 4.48Å; F90-F118 HydrophobicContact CE1-CB 3.39Å; F90-F118 AromaticContact CE1-CD1 3.98Å; F90-F118 HydrophobicContact CE1-CD1 3.98Å; F90-F118 AromaticContact CE1-CD2 3.91Å; F90-F118 HydrophobicContact CE1-CD2 3.91Å; F90-F118 AromaticContact CE1-CG 3.49Å; F90-F118 HydrophobicContact CE1-CG 3.49Å; F90-F118 VanDerWaalsContact CE1-CG 3.49Å; F90-F118 HydrophobicContact CE2-CB 4.44Å; F90-F118 AromaticContact CE2-CD2 3.44Å; F90-F118 HydrophobicContact CE2-CD2 3.44Å; F90-F118 VanDerWaalsContact CE2-CD2 3.44Å; F90-F118 AromaticContact CE2-CE2 3.74Å; F90-F118 HydrophobicContact CE2-CE2 3.74Å; F90-F118 AromaticContact CE2-CG 3.93Å; F90-F118 HydrophobicContact CE2-CG 3.93Å; F90-F118 HydrophobicContact CE2-CZ 4.45Å; F90-F118 HydrophobicContact CG-CB 4.22Å; F90-F118 HydrophobicContact CG-CD2 4.38Å; F90-F118 HydrophobicContact CZ-CB 3.86Å; F90-F118 AromaticContact CZ-CD1 3.78Å; F90-F118 HydrophobicContact CZ-CD1 3.78Å; F90-F118 AromaticContact CZ-CD2 3.42Å; F90-F118 HydrophobicContact CZ-CD2 3.42Å; F90-F118 VanDerWaalsContact CZ-CD2 3.42Å; F90-F118 HydrophobicContact CZ-CE1 4.17Å; F90-F118 AromaticContact CZ-CE2 3.84Å; F90-F118 HydrophobicContact CZ-CE2 3.84Å; F90-F118 AromaticContact CZ-CG 3.39Å; F90-F118 HydrophobicContact CZ-CG 3.39Å; F90-F118 HydrophobicContact CZ-CZ 4.19Å; F90-F118 PolarHBondContact N-O 2.95Å; F90-F118 VanDerWaalsContact N-O 3.14Å; F90-F118 WeakPolarHBondContact O-CA 3.32Å; F90-F118 WeakPolarHBondContact O-CB 3.2Å; F90-F118 PolarHBondContact O-N 2.89Å; F92-F118 HydrophobicContact CB-CE2 4.49Å; V116-F118 HydrophobicContact CB-CE2 4.31Å; V116-F118 HydrophobicContact CG1-CE2 3.81Å; V116-F118 HydrophobicContact CG1-CZ 3.97Å; F118-V135 HydrophobicContact CD1-CG1 4.11Å; F118-V135 HydrophobicContact CD1-CG2 3.72Å; F118-V135 HydrophobicContact CE1-CG1 3.93Å; F118-V135 HydrophobicContact CE1-CG2 4.12Å; F118-V135 HydrophobicContact CZ-CG1 4.35Å; F118-F164 HydrophobicContact CB-CE1 4.22Å; F118-F164 HydrophobicContact CB-CZ 3.84Å; F118-F164 HydrophobicContact CD1-CD1 4.49Å; F118-F164 HydrophobicContact CD1-CE1 4.17Å; F118-F164 HydrophobicContact CD1-CZ 4.47Å; F118-A172 HydrophobicContact CE1-CB 3.6Å; F118-A172 HydrophobicContact CZ-CB 3.57Å; F118-L185 HydrophobicContact CD1-CD2 4.46Å; F118-L185 HydrophobicContact CE1-CD2 4.13Å
119D94.7Very high85.9Confident2 Ų245 Ų451%0.01123%0.232CC..EExtended strand (participates in β ladder)trans-84.3131.8-172.7-167.4-30.2000110.2F105 Y121 H132 P133 Y134F105-D119 HydrophobicContact CE1-CB 4.38Å; F105-D119 HydrophobicContact CZ-CB 3.92Å; D119-Y121 PolarHBondContact OD1-N 2.86Å; D119-H132 VanDerWaalsContact CG-CE1 3.45Å; D119-H132 IonicContact OD1-CE1 2.94Å; D119-H132 PolarHBondContact OD1-CE1 2.87Å; D119-H132 IonicContact OD1-ND1 2.88Å; D119-H132 PolarHBondContact OD1-ND1 2.81Å; D119-H132 VanDerWaalsContact OD1-ND1 3.15Å; D119-H132 IonicContact OD2-CE1 2.67Å; D119-P133 CarbonylContact O-C 3.56Å; D119-P133 WeakPolarHBondContact O-CA 3.49Å; D119-P133 WeakPolarHBondContact O-CB 3.34Å; D119-Y134 WeakPolarHBondContact CB-O 3.31Å; D119-Y134 PolarHBondContact N-O 3.35Å; D119-Y134 PolarHBondContact O-N 2.67Å
120T92.5Very high85.1Confident12 Ų1245.7 Ų45.77%0.07423%0.233CC..  trans-107.9-6.1179.655.40000113.8V79 G87 D88 P133 F164V79-T120 HydrophobicContact CG1-CG2 4.08Å; G87-T120 WeakPolarHBondContact CA-OG1 3.28Å; D88-T120 VanDerWaalsContact C-OG1 3.23Å; D88-T120 PolarHBondContact O-N 2.85Å; D88-T120 PolarHBondContact O-OG1 2.88Å; T120-P133 HydrophobicContact CG2-CB 4.36Å; T120-P133 HydrophobicContact CG2-CG 4.46Å; T120-F164 HydrophobicContact CG2-CE2 3.99Å; T120-F164 HydrophobicContact CG2-CZ 4.05Å
121Y87.7Confident84.6Confident87 Ų8746.5 Ų46.534%0.34124%0.239SC..SBendtrans-139.9125.7-173.4-174.9-101.1000112.6V86 D119 N123 H132 L219V86-Y121 WeakPolarHBondContact O-CB 3.21Å; V86-Y121 WeakPolarHBondContact O-CD2 3.24Å; D119-Y121 PolarHBondContact OD1-N 2.86Å; Y121-N123 PolarHBondContact O-N 3.09Å; Y121-N123 VanDerWaalsContact O-N 3.14Å; Y121-H132 VanDerWaalsContact C-ND1 3.32Å; Y121-H132 PolarHBondContact N-ND1 2.84Å; Y121-H132 PolarHBondContact O-CE1 2.92Å; Y121-H132 PolarHBondContact O-ND1 3.13Å; Y121-L219 HydrophobicContact CD2-CD1 3.33Å; Y121-L219 HydrophobicContact CE1-CD1 4.38Å; Y121-L219 HydrophobicContact CE2-CD1 3.15Å; Y121-L219 HydrophobicContact CG-CD1 4.02Å
122A82.5Confident84.1Confident24 Ų2447.8 Ų47.820%0.19825%0.245CC..  trans-71.4107.8174.500000110.8H132A122-H132 WeakPolarHBondContact CA-NE2 3.26Å
123N79.6Confident83.9Confident50 Ų5045.8 Ų45.827%0.26724%0.24SC..  trans-79.6-22.6172.1-67.9114.3000111.9Y121 H148 D151Y121-N123 PolarHBondContact O-N 3.09Å; Y121-N123 VanDerWaalsContact O-N 3.14Å; N123-H148 PolarHBondContact OD1-NE2 3.15Å; N123-H148 VanDerWaalsContact OD1-NE2 3.09Å; N123-D151 WeakPolarHBondContact CA-OD1 3.32Å; N123-D151 VanDerWaalsContact CB-OD1 3.25Å; N123-D151 WeakPolarHBondContact CB-OD1 3.38Å; N123-D151 PolarHBondContact N-OD1 2.81Å; N123-D151 PolarHBondContact N-OD2 3.2Å
124Q69.8Low83.8Confident29 Ų2946.5 Ų46.514%0.13624%0.242CC..  trans-107.9130.9176-175.3174.8-17.400113.9K150 D151Q124-K150 HydrophobicContact CG-CD 4.41Å; Q124-D151 WeakPolarHBondContact CB-OD2 3.36Å; Q124-D151 PolarHBondContact N-OD2 2.95Å
125N63.9Low83.7Confident150 Ų15046.5 Ų46.580%0.80224%0.242SC*.  trans-102.192.1166.6-63.7-68.1000109.2
126G63.9Low83.5Confident36 Ų3646.7 Ų46.737%0.37124%0.243SC..SBendtrans-165.1-170.4-178.500000114.6H128 S129G126-H128 PolarHBondContact O-N 2.87Å; G126-S129 VanDerWaalsContact O-CB 3.27Å; G126-S129 WeakPolarHBondContact O-CB 3.17Å; G126-S129 PolarHBondContact O-N 2.78Å
127E57.8Low83.5Confident179 Ų17946.7 Ų46.784%0.83624%0.243SC*.THydrogen-bonded Turntrans-56.9-15-178.5-165.863.2-149.200114.1
128H63.2Low83.4Confident78 Ų7846.7 Ų46.736%0.36124%0.243SC..THydrogen-bonded Turntrans-116.623.1179.9-53.6-50.4000112.2G126 H130 T153 R259G126-H128 PolarHBondContact O-N 2.87Å; H128-H130 PolarHBondContact O-CD2 2.83Å; H128-H130 VanDerWaalsContact O-CD2 3.31Å; H128-H130 PolarHBondContact O-N 2.8Å; H128-T153 HydrophobicContact CB-CG2 4.38Å; H128-R259 PolarHBondContact CD2-NH1 2.95Å; H128-R259 PolarHBondContact CE1-NH1 3.05Å; H128-R259 PolarHBondContact ND1-NH1 2.89Å; H128-R259 PolarHBondContact NE2-NH1 2.81Å; H128-R259 VanDerWaalsContact NE2-NH1 3.13Å
129S70.9Confident83.3Confident60 Ų6047 Ų4742%0.4225%0.245SC..PPolyproline II helixtrans-70.7122.9170.7-175.60000108.9G126G126-S129 VanDerWaalsContact O-CB 3.27Å; G126-S129 WeakPolarHBondContact O-CB 3.17Å; G126-S129 PolarHBondContact O-N 2.78Å
130H78.9Confident83.4Confident61 Ų6147.1 Ų47.128%0.28225%0.246SC..PPolyproline II helixtrans-95.3164.1173.1-63.3-72.4000110.2H128 H132 Y134 E156H128-H130 PolarHBondContact O-CD2 2.83Å; H128-H130 VanDerWaalsContact O-CD2 3.31Å; H128-H130 PolarHBondContact O-N 2.8Å; H130-H132 PolarHBondContact O-CD2 2.86Å; H130-H132 VanDerWaalsContact O-CD2 3.26Å; H130-H132 PolarHBondContact O-N 2.89Å; H130-Y134 HydrophobicContact CB-CD1 4.32Å; H130-Y134 HydrophobicContact CB-CD2 3.37Å; H130-Y134 HydrophobicContact CB-CE1 4.49Å; H130-Y134 HydrophobicContact CB-CE2 3.6Å; H130-Y134 HydrophobicContact CB-CG 3.77Å; H130-Y134 AromaticContact CD2-CE1 3.69Å; H130-Y134 AromaticContact CD2-CE2 3.97Å; H130-Y134 AromaticContact CD2-CZ 3.61Å; H130-Y134 AromaticContact CE1-CZ 3.76Å; H130-Y134 PolarHBondContact CE1-OH 3.15Å; H130-Y134 AromaticContact CG-CD2 3.71Å; H130-Y134 AromaticContact CG-CE1 3.97Å; H130-Y134 AromaticContact CG-CE2 3.39Å; H130-Y134 AromaticContact CG-CZ 3.53Å; H130-Y134 AromaticContact ND1-CE2 3.49Å; H130-Y134 WeakPolarHBondContact ND1-CE2 3.46Å; H130-Y134 AromaticContact ND1-CZ 3.64Å; H130-Y134 AromaticContact NE2-CZ 3.79Å; H130-E156 IonicContact NE2-OE2 3.41Å
131E86Confident83.5Confident142 Ų14249.8 Ų49.866%0.66426%0.26SS*.PPolyproline II helixtrans-76.3121.4166.9-178176.6-174.300108.2S161E131-S161 VanDerWaalsContact O-CB 3.24Å; E131-S161 WeakPolarHBondContact O-CB 3.5Å; E131-S161 PolarHBondContact O-OG 3.43Å
132H87.4Confident83.8Confident37 Ų3747.3 Ų47.317%0.17126%0.261CS..SBendtrans-92.5144.2177.5-72.4-117.8000110.4D119 Y121 A122 H130D119-H132 VanDerWaalsContact CG-CE1 3.45Å; D119-H132 IonicContact OD1-CE1 2.94Å; D119-H132 PolarHBondContact OD1-CE1 2.87Å; D119-H132 IonicContact OD1-ND1 2.88Å; D119-H132 PolarHBondContact OD1-ND1 2.81Å; D119-H132 VanDerWaalsContact OD1-ND1 3.15Å; D119-H132 IonicContact OD2-CE1 2.67Å; Y121-H132 VanDerWaalsContact C-ND1 3.32Å; Y121-H132 PolarHBondContact N-ND1 2.84Å; Y121-H132 PolarHBondContact O-CE1 2.92Å; Y121-H132 PolarHBondContact O-ND1 3.13Å; A122-H132 WeakPolarHBondContact CA-NE2 3.26Å; H130-H132 PolarHBondContact O-CD2 2.86Å; H130-H132 VanDerWaalsContact O-CD2 3.26Å; H130-H132 PolarHBondContact O-N 2.89Å
133P94.4Very high84.3Confident14 Ų1450 Ų509%0.09128%0.278CS..SBendcis-71.3139.58.5-1730.7000114.3D119 T120 S161 S162 F164 R165D119-P133 CarbonylContact O-C 3.56Å; D119-P133 WeakPolarHBondContact O-CA 3.49Å; D119-P133 WeakPolarHBondContact O-CB 3.34Å; T120-P133 HydrophobicContact CG2-CB 4.36Å; T120-P133 HydrophobicContact CG2-CG 4.46Å; P133-S161 WeakPolarHBondContact O-CA 3.5Å; P133-S162 WeakPolarHBondContact CB-O 3.35Å; P133-S162 WeakPolarHBondContact CD-O 3.33Å; P133-S162 PolarHBondContact O-N 3.39Å; P133-F164 HydrophobicContact CB-CD1 4Å; P133-F164 HydrophobicContact CB-CE1 3.32Å; P133-F164 HydrophobicContact CB-CE2 4.06Å; P133-F164 HydrophobicContact CB-CZ 3.36Å; P133-F164 HydrophobicContact CG-CE1 4.34Å; P133-F164 HydrophobicContact CG-CE2 4.46Å; P133-F164 HydrophobicContact CG-CZ 4.22Å; P133-R165 HydrophobicContact CG-CB 3.87Å
134Y94.9Very high84.9Confident14 Ų1449.9 Ų49.96%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-119130.6-177.7-167.6-109000109.7D119 H130 E156 G159 C160D119-Y134 WeakPolarHBondContact CB-O 3.31Å; D119-Y134 PolarHBondContact N-O 3.35Å; D119-Y134 PolarHBondContact O-N 2.67Å; H130-Y134 HydrophobicContact CB-CD1 4.32Å; H130-Y134 HydrophobicContact CB-CD2 3.37Å; H130-Y134 HydrophobicContact CB-CE1 4.49Å; H130-Y134 HydrophobicContact CB-CE2 3.6Å; H130-Y134 HydrophobicContact CB-CG 3.77Å; H130-Y134 AromaticContact CD2-CE1 3.69Å; H130-Y134 AromaticContact CD2-CE2 3.97Å; H130-Y134 AromaticContact CD2-CZ 3.61Å; H130-Y134 AromaticContact CE1-CZ 3.76Å; H130-Y134 PolarHBondContact CE1-OH 3.15Å; H130-Y134 AromaticContact CG-CD2 3.71Å; H130-Y134 AromaticContact CG-CE1 3.97Å; H130-Y134 AromaticContact CG-CE2 3.39Å; H130-Y134 AromaticContact CG-CZ 3.53Å; H130-Y134 AromaticContact ND1-CE2 3.49Å; H130-Y134 WeakPolarHBondContact ND1-CE2 3.46Å; H130-Y134 AromaticContact ND1-CZ 3.64Å; H130-Y134 AromaticContact NE2-CZ 3.79Å; Y134-E156 WeakPolarHBondContact CE1-OE1 3.45Å; Y134-E156 PolarHBondContact OH-OE1 2.87Å; Y134-G159 WeakPolarHBondContact OH-CA 3.19Å; Y134-C160 VanDerWaalsContact CD2-O 3.29Å; Y134-C160 WeakPolarHBondContact CD2-O 3.43Å
135V96.7Very high86Confident0 Ų050.5 Ų50.50%028%0.283CS..EExtended strand (participates in β ladder)trans-107.7121.9177.7-176.90000108.2V116 F117 F118 G159 C160 F164 V183 L185 F197V116-V135 HydrophobicContact CG1-CG1 3.98Å; F117-V135 CarbonylContact O-C 3.58Å; F117-V135 VanDerWaalsContact O-CA 3.22Å; F117-V135 WeakPolarHBondContact O-CA 3.45Å; F118-V135 HydrophobicContact CD1-CG1 4.11Å; F118-V135 HydrophobicContact CD1-CG2 3.72Å; F118-V135 HydrophobicContact CE1-CG1 3.93Å; F118-V135 HydrophobicContact CE1-CG2 4.12Å; F118-V135 HydrophobicContact CZ-CG1 4.35Å; V135-G159 CarbonylContact O-C 2.85Å; V135-G159 WeakPolarHBondContact O-CA 3.15Å; V135-C160 PolarHBondContact N-O 3.39Å; V135-C160 PolarHBondContact O-N 2.87Å; V135-F164 HydrophobicContact CG2-CD1 3.99Å; V135-F164 HydrophobicContact CG2-CE1 3.69Å; V135-V183 HydrophobicContact CG1-CG1 4.17Å; V135-L185 HydrophobicContact CB-CD1 4.48Å; V135-L185 HydrophobicContact CG1-CD1 4.45Å; V135-L185 HydrophobicContact CG2-CD1 4.09Å; V135-L185 HydrophobicContact CG2-CD2 4.11Å; V135-F197 HydrophobicContact CG1-CE1 4.39Å
136S95.9Very high87.3Confident4 Ų443.9 Ų43.93%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-134.3159.4-178.368.10000111.8V116 F117 S158V116-S136 CarbonylContact C-O 3.43Å; V116-S136 VanDerWaalsContact CA-O 3.3Å; V116-S136 WeakPolarHBondContact CA-O 3.41Å; F117-S136 PolarHBondContact N-O 2.93Å; F117-S136 PolarHBondContact O-N 2.65Å; S136-S158 CarbonylContact C-O 3.59Å; S136-S158 WeakPolarHBondContact CA-O 3.12Å
137A96.8Very high88.4Confident0 Ų043.1 Ų43.10%023%0.234CC..EExtended strand (participates in β ladder)trans-119.5149.3173.400000112L114 A115 V116 L157 S158 L181 F197L114-A137 HydrophobicContact CD1-CB 4.25Å; A115-A137 WeakPolarHBondContact O-CA 3.25Å; V116-A137 HydrophobicContact CG2-CB 4.41Å; A137-L157 HydrophobicContact CB-CB 4.45Å; A137-L157 HydrophobicContact CB-CD2 4.45Å; A137-L157 VanDerWaalsContact O-CB 3.3Å; A137-L157 WeakPolarHBondContact O-CB 3.43Å; A137-L157 PolarHBondContact O-N 3.15Å; A137-S158 PolarHBondContact N-O 3.48Å; A137-L181 HydrophobicContact CB-CD2 4Å; A137-F197 HydrophobicContact CB-CE2 3.84Å; A137-F197 HydrophobicContact CB-CZ 3.58Å
138M95.8Very high89.6Confident1 Ų136 Ų361%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-133.4131170.5179.2-171.4-179.700109.2F111 L114 A115 F117 N140 K144 Y146 T155F111-M138 HydrophobicContact CE1-CE 4.2Å; F111-M138 HydrophobicContact CE1-SD 3.62Å; F111-M138 HydrophobicContact CZ-CB 4.21Å; F111-M138 HydrophobicContact CZ-CE 4.3Å; F111-M138 HydrophobicContact CZ-CG 3.91Å; F111-M138 HydrophobicContact CZ-SD 3.57Å; F111-M138 VanDerWaalsContact CZ-SD 3.57Å; L114-M138 WeakPolarHBondContact CA-O 3.33Å; A115-M138 PolarHBondContact N-O 3.33Å; A115-M138 PolarHBondContact O-N 2.92Å; F117-M138 HydrophobicContact CE2-CB 3.69Å; F117-M138 HydrophobicContact CZ-CB 4.42Å; M138-N140 HydrophobicContact CE-CB 3.9Å; M138-N140 WeakPolarHBondContact CE-ND2 3.49Å; M138-K144 HydrophobicContact CE-CB 3.99Å; M138-Y146 HydrophobicContact SD-CD2 3.91Å; M138-T155 HydrophobicContact CE-CG2 3.95Å; M138-T155 WeakPolarHBondContact CE-OG1 3.24Å; M138-T155 WeakPolarHBondContact CG-O 3.33Å; M138-T155 PolarHBondContact SD-OG1 3.03Å
139I96.4Very high90.6Very high8 Ų836.6 Ų36.64%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-104.7135.1166.2-64.6161.1000107.3G113 L114 L157 V202 L204 P250 A252G113-I139 WeakPolarHBondContact O-CA 3.45Å; L114-I139 HydrophobicContact CD1-CG1 4.05Å; I139-L157 HydrophobicContact CD1-CD1 4.37Å; I139-L157 HydrophobicContact CD1-CD2 3.54Å; I139-L157 HydrophobicContact CG1-CD2 4.16Å; I139-V202 HydrophobicContact CD1-CB 4.15Å; I139-V202 HydrophobicContact CD1-CG1 3.46Å; I139-V202 VanDerWaalsContact CD1-CG1 3.46Å; I139-V202 HydrophobicContact CD1-CG2 3.76Å; I139-L204 HydrophobicContact CG2-CD2 4.45Å; I139-P250 HydrophobicContact CG2-CB 3.84Å; I139-A252 HydrophobicContact CD1-CB 3.84Å
140N95.8Very high91.1Very high3 Ų334.2 Ų34.22%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-139.9136.6-177-163.81.4000110F111 R112 G113 M138 G142 S143 K144 P250F111-N140 HydrophobicContact CD2-CB 4.01Å; F111-N140 HydrophobicContact CE1-CB 4.33Å; F111-N140 HydrophobicContact CE2-CB 3.66Å; F111-N140 HydrophobicContact CZ-CB 3.84Å; F111-N140 WeakPolarHBondContact O-CB 3.31Å; F111-N140 PolarHBondContact O-ND2 3.19Å; F111-N140 VanDerWaalsContact O-ND2 3.08Å; R112-N140 CarbonylContact C-O 3.57Å; R112-N140 VanDerWaalsContact CA-O 3.25Å; R112-N140 WeakPolarHBondContact CA-O 3.31Å; G113-N140 PolarHBondContact N-O 3.29Å; G113-N140 PolarHBondContact O-N 2.77Å; M138-N140 HydrophobicContact CE-CB 3.9Å; M138-N140 WeakPolarHBondContact CE-ND2 3.49Å; N140-G142 VanDerWaalsContact C-N 3.32Å; N140-G142 PolarHBondContact OD1-N 3.46Å; N140-G142 VanDerWaalsContact OD1-N 3.11Å; N140-S143 PolarHBondContact OD1-N 3.14Å; N140-K144 PolarHBondContact ND2-O 3.08Å; N140-K144 PolarHBondContact OD1-N 2.02Å; N140-P250 WeakPolarHBondContact O-CB 3.1Å
141D95.2Very high91.3Very high68 Ų6831.5 Ų31.536%0.36418%0.176SC..EExtended strand (participates in β ladder)trans-90.6-1.6173.464-5.8000112.3R112 S143R112-D141 WeakPolarHBondContact CD-O 3.24Å; R112-D141 WeakPolarHBondContact CG-O 3.06Å; D141-S143 WeakPolarHBondContact OD1-CB 2.97Å; D141-S143 PolarHBondContact OD1-N 2.88Å; D141-S143 PolarHBondContact OD1-OG 2.91Å
142G94.7Very high91.1Very high36 Ų3624.9 Ų24.937%0.37115%0.146SC..SBendtrans103-4.6-174.900000113.8F111 N140F111-G142 VanDerWaalsContact O-CA 3.3Å; F111-G142 WeakPolarHBondContact O-CA 3.5Å; F111-G142 PolarHBondContact O-N 2.75Å; N140-G142 VanDerWaalsContact C-N 3.32Å; N140-G142 PolarHBondContact OD1-N 3.46Å; N140-G142 VanDerWaalsContact OD1-N 3.11Å
143S92.8Very high90.8Very high80 Ų8023.2 Ų23.256%0.55914%0.138SC*.SBendtrans-81.5-26-178.466.90000113.8N140 D141N140-S143 PolarHBondContact OD1-N 3.14Å; D141-S143 WeakPolarHBondContact OD1-CB 2.97Å; D141-S143 PolarHBondContact OD1-N 2.88Å; D141-S143 PolarHBondContact OD1-OG 2.91Å
144K91.7Very high90.2Very high47 Ų4724.3 Ų24.320%0.20414%0.143CC..  trans-105.2155.3-175.6-56.1177.2-168.6178.80111.3M138 N140 T155 E255M138-K144 HydrophobicContact CE-CB 3.99Å; N140-K144 PolarHBondContact ND2-O 3.08Å; N140-K144 PolarHBondContact OD1-N 2.02Å; K144-T155 HydrophobicContact CB-CG2 4.06Å; K144-T155 HydrophobicContact CD-CG2 3.98Å; K144-E255 IonicContact NZ-OE1 3.61Å; K144-E255 PolarHBondContact NZ-OE1 3.02Å; K144-E255 IonicContact NZ-OE2 3.49Å; K144-E255 PolarHBondContact NZ-OE2 3.17Å
145S92.3Very high89.7Confident43 Ų4324.6 Ų24.630%0.30115%0.146SC..  trans-104139.8165-94.40000108.8D109 K110 D147D109-S145 WeakPolarHBondContact OD2-CB 3.3Å; D109-S145 PolarHBondContact OD2-OG 2.86Å; K110-S145 WeakPolarHBondContact CE-OG 3.3Å; K110-S145 VanDerWaalsContact CG-OG 3.23Å; K110-S145 WeakPolarHBondContact CG-OG 3.48Å; S145-D147 PolarHBondContact O-N 2.91Å
146Y91.7Very high89.4Confident10 Ų1025.7 Ų25.74%0.03915%0.152CC..  trans-63.6126.9160.7-175.5-95.4000110.3A104 F105 D109 F117 M138 H148 G152A104-Y146 HydrophobicContact CB-CD1 3.66Å; A104-Y146 HydrophobicContact CB-CE1 4.49Å; A104-Y146 HydrophobicContact CB-CG 4.05Å; F105-Y146 HydrophobicContact CD2-CE1 4.15Å; F105-Y146 AromaticContact CE2-CE1 3.82Å; F105-Y146 HydrophobicContact CE2-CE1 3.82Å; F105-Y146 AromaticContact CE2-CZ 3.8Å; F105-Y146 WeakPolarHBondContact CE2-OH 3.42Å; D109-Y146 PolarHBondContact O-N 2.93Å; F117-Y146 HydrophobicContact CD1-CE2 4.1Å; F117-Y146 HydrophobicContact CD2-CD2 4.23Å; F117-Y146 AromaticContact CD2-CE2 3.59Å; F117-Y146 HydrophobicContact CD2-CE2 3.59Å; F117-Y146 AromaticContact CE1-CD2 3.92Å; F117-Y146 HydrophobicContact CE1-CD2 3.92Å; F117-Y146 AromaticContact CE1-CE2 3.85Å; F117-Y146 HydrophobicContact CE1-CE2 3.85Å; F117-Y146 HydrophobicContact CE1-CG 4.3Å; F117-Y146 AromaticContact CE2-CD2 3.45Å; F117-Y146 HydrophobicContact CE2-CD2 3.45Å; F117-Y146 VanDerWaalsContact CE2-CD2 3.45Å; F117-Y146 AromaticContact CE2-CE2 3.28Å; F117-Y146 HydrophobicContact CE2-CE2 3.28Å; F117-Y146 AromaticContact CG-CE2 3.98Å; F117-Y146 HydrophobicContact CG-CE2 3.98Å; F117-Y146 AromaticContact CZ-CD2 3.26Å; F117-Y146 HydrophobicContact CZ-CD2 3.26Å; F117-Y146 AromaticContact CZ-CE2 3.43Å; F117-Y146 HydrophobicContact CZ-CE2 3.43Å; F117-Y146 VanDerWaalsContact CZ-CE2 3.43Å; F117-Y146 AromaticContact CZ-CG 3.93Å; F117-Y146 HydrophobicContact CZ-CG 3.93Å; M138-Y146 HydrophobicContact SD-CD2 3.91Å; Y146-H148 HydrophobicContact CD1-CB 4.36Å; Y146-H148 HydrophobicContact CE1-CB 4.1Å; Y146-G152 PolarHBondContact OH-N 2.78Å
147D88.3Confident89.2Confident20 Ų2026.8 Ų26.811%0.10716%0.157CC..  trans-100.696.4177.8-163.9-10.3000110.5S145 D149 K150 D151 G152 L154 R261S145-D147 PolarHBondContact O-N 2.91Å; D147-D149 VanDerWaalsContact C-N 3.26Å; D147-D149 PolarHBondContact O-N 2.63Å; D147-D149 PolarHBondContact OD1-N 3.09Å; D147-K150 HydrophobicContact CB-CB 4.38Å; D147-K150 CarbonylContact O-C 3.45Å; D147-K150 PolarHBondContact O-N 2.69Å; D147-D151 PolarHBondContact O-N 2.95Å; D147-G152 PolarHBondContact O-N 2.96Å; D147-L154 HydrophobicContact CB-CD1 4.34Å; D147-R261 IonicContact OD1-CZ 2.81Å; D147-R261 IonicContact OD1-NH1 2.99Å; D147-R261 PolarHBondContact OD1-NH1 2.67Å; D147-R261 IonicContact OD2-CZ 3.82Å; D147-R261 IonicContact OD2-NE 2.95Å; D147-R261 IonicContact OD2-NH1 3.03Å; D147-R261 PolarHBondContact OD2-NH1 3.31Å
148H82.9Confident89Confident31 Ų3128.5 Ų28.514%0.14417%0.169CC..G310 helixtrans-62.6-32.7-179.7-168.883.3000112.5F105 N123 Y146 K150 D151F105-H148 AromaticContact CE2-ND1 3.83Å; F105-H148 AromaticContact CZ-CE1 3.94Å; N123-H148 PolarHBondContact OD1-NE2 3.15Å; N123-H148 VanDerWaalsContact OD1-NE2 3.09Å; Y146-H148 HydrophobicContact CD1-CB 4.36Å; Y146-H148 HydrophobicContact CE1-CB 4.1Å; H148-K150 PolarHBondContact O-N 2.83Å; H148-K150 VanDerWaalsContact O-N 3.14Å; H148-D151 PolarHBondContact O-N 2.96Å
149D83.1Confident89Confident90 Ų9029.3 Ų29.348%0.48118%0.177SC..G310 helixtrans-68.7-13.6-179.9-60.1-31.7000112.9D147 R261D147-D149 VanDerWaalsContact C-N 3.26Å; D147-D149 PolarHBondContact O-N 2.63Å; D147-D149 PolarHBondContact OD1-N 3.09Å; D149-R261 IonicContact OD2-CZ 3.97Å; D149-R261 IonicContact OD2-NH2 3.39Å; D149-R261 PolarHBondContact OD2-NH2 2.99Å
150K81Confident88.9Confident10 Ų1030.1 Ų30.14%0.04318%0.184CC..G310 helixtrans-125.124.9-175.8-59-62.1178.2-163.70112.2Q124 D147 H148 G152 T153 D264Q124-K150 HydrophobicContact CG-CD 4.41Å; D147-K150 HydrophobicContact CB-CB 4.38Å; D147-K150 CarbonylContact O-C 3.45Å; D147-K150 PolarHBondContact O-N 2.69Å; H148-K150 PolarHBondContact O-N 2.83Å; H148-K150 VanDerWaalsContact O-N 3.14Å; K150-G152 PolarHBondContact O-N 2.83Å; K150-T153 WeakPolarHBondContact O-CB 3.49Å; K150-T153 WeakPolarHBondContact O-CG2 3.25Å; K150-T153 PolarHBondContact O-N 3.26Å; K150-T153 PolarHBondContact O-OG1 2.79Å; K150-D264 IonicContact NZ-OD1 3.94Å; K150-D264 PolarHBondContact NZ-OD1 3.07Å; K150-D264 IonicContact NZ-OD2 2.67Å; K150-D264 PolarHBondContact NZ-OD2 2.84Å
151D83Confident88.8Confident4 Ų432.6 Ų32.62%0.02120%0.201CC..THydrogen-bonded Turntrans53.625.7178.7-53-47000113.2N123 Q124 D147 H148 T153N123-D151 WeakPolarHBondContact CA-OD1 3.32Å; N123-D151 VanDerWaalsContact CB-OD1 3.25Å; N123-D151 WeakPolarHBondContact CB-OD1 3.38Å; N123-D151 PolarHBondContact N-OD1 2.81Å; N123-D151 PolarHBondContact N-OD2 3.2Å; Q124-D151 WeakPolarHBondContact CB-OD2 3.36Å; Q124-D151 PolarHBondContact N-OD2 2.95Å; D147-D151 PolarHBondContact O-N 2.95Å; H148-D151 PolarHBondContact O-N 2.96Å; D151-T153 HydrophobicContact CB-CG2 4.29Å; D151-T153 PolarHBondContact O-N 2.84Å; D151-T153 VanDerWaalsContact O-N 3.09Å
152G83.4Confident88.7Confident2 Ų229.6 Ų29.62%0.02119%0.186CC..THydrogen-bonded Turntrans68.82.4-176.900000115.8Y146 D147 K150 L154 T155 E156Y146-G152 PolarHBondContact OH-N 2.78Å; D147-G152 PolarHBondContact O-N 2.96Å; K150-G152 PolarHBondContact O-N 2.83Å; G152-L154 PolarHBondContact O-N 3.31Å; G152-L154 VanDerWaalsContact O-N 3.08Å; G152-T155 CarbonylContact O-C 3.08Å; G152-T155 PolarHBondContact O-N 2.7Å; G152-T155 PolarHBondContact O-OG1 2.84Å; G152-E156 PolarHBondContact O-N 3.2Å; G152-E156 VanDerWaalsContact O-N 3.12Å
153T79.9Confident88.6Confident2 Ų232.8 Ų32.81%0.01219%0.194CC..G310 helixtrans-53.6-38-172.256.30000112H128 K150 D151 T155 E156 R259H128-T153 HydrophobicContact CB-CG2 4.38Å; K150-T153 WeakPolarHBondContact O-CB 3.49Å; K150-T153 WeakPolarHBondContact O-CG2 3.25Å; K150-T153 PolarHBondContact O-N 3.26Å; K150-T153 PolarHBondContact O-OG1 2.79Å; D151-T153 HydrophobicContact CB-CG2 4.29Å; D151-T153 PolarHBondContact O-N 2.84Å; D151-T153 VanDerWaalsContact O-N 3.09Å; T153-T155 PolarHBondContact O-N 2.82Å; T153-E156 PolarHBondContact O-N 2.8Å; T153-R259 PolarHBondContact O-NE 3.09Å; T153-R259 PolarHBondContact O-NH2 2.91Å
154L81.1Confident88.7Confident37 Ų3729 Ų2919%0.19417%0.167CC..G310 helixtrans-58-24.1-179.7-55.5-179.4000114.2D147 G152 R259 R261D147-L154 HydrophobicContact CB-CD1 4.34Å; G152-L154 PolarHBondContact O-N 3.31Å; G152-L154 VanDerWaalsContact O-N 3.08Å; L154-R259 HydrophobicContact CD2-CB 3.48Å; L154-R259 VanDerWaalsContact CD2-CB 3.48Å; L154-R261 HydrophobicContact CD1-CB 4.01Å
155T86.3Confident88.9Confident20 Ų2029 Ų2912%0.12317%0.166CC..G310 helixtrans-127.613.1-175.256.20000112.9M138 K144 G152 T153M138-T155 HydrophobicContact CE-CG2 3.95Å; M138-T155 WeakPolarHBondContact CE-OG1 3.24Å; M138-T155 WeakPolarHBondContact CG-O 3.33Å; M138-T155 PolarHBondContact SD-OG1 3.03Å; K144-T155 HydrophobicContact CB-CG2 4.06Å; K144-T155 HydrophobicContact CD-CG2 3.98Å; G152-T155 CarbonylContact O-C 3.08Å; G152-T155 PolarHBondContact O-N 2.7Å; G152-T155 PolarHBondContact O-OG1 2.84Å; T153-T155 PolarHBondContact O-N 2.82Å
156E90.1Very high88.9Confident23 Ų2331 Ų3111%0.10717%0.173CC..  trans-67.4133.3-179.6-178.3-179.1175.700111.2H130 Y134 G152 T153 G159H130-E156 IonicContact NE2-OE2 3.41Å; Y134-E156 WeakPolarHBondContact CE1-OE1 3.45Å; Y134-E156 PolarHBondContact OH-OE1 2.87Å; G152-E156 PolarHBondContact O-N 3.2Å; G152-E156 VanDerWaalsContact O-N 3.12Å; T153-E156 PolarHBondContact O-N 2.8Å; E156-G159 PolarHBondContact OE1-N 2.78Å
157L91.5Very high89Confident28 Ų2831.5 Ų31.515%0.14718%0.177CC..  trans-83.5-53.7170.9-177.471.1000110.8A137 I139 L181 V199 V202 A252 Q254A137-L157 HydrophobicContact CB-CB 4.45Å; A137-L157 HydrophobicContact CB-CD2 4.45Å; A137-L157 VanDerWaalsContact O-CB 3.3Å; A137-L157 WeakPolarHBondContact O-CB 3.43Å; A137-L157 PolarHBondContact O-N 3.15Å; I139-L157 HydrophobicContact CD1-CD1 4.37Å; I139-L157 HydrophobicContact CD1-CD2 3.54Å; I139-L157 HydrophobicContact CG1-CD2 4.16Å; L157-L181 HydrophobicContact CD2-CD2 4.16Å; L157-V199 HydrophobicContact CD1-CG1 4.04Å; L157-V199 HydrophobicContact CD2-CB 4.13Å; L157-V199 HydrophobicContact CD2-CG1 3.98Å; L157-V199 HydrophobicContact CD2-CG2 4.06Å; L157-V199 HydrophobicContact CG-CB 4.47Å; L157-V199 HydrophobicContact CG-CG1 4.01Å; L157-V199 HydrophobicContact CG-CG2 4.12Å; L157-V202 HydrophobicContact CD2-CG2 4.2Å; L157-A252 HydrophobicContact CD1-CB 3.46Å; L157-A252 VanDerWaalsContact CD1-CB 3.46Å; L157-Q254 WeakPolarHBondContact CD1-O 3.26Å
158S93.2Very high89.2Confident35 Ų3535.7 Ų35.725%0.24520%0.2CC..EExtended strand (participates in β ladder)trans-166.6160.9178.7-163.30000109.2S136 A137 F197S136-S158 CarbonylContact C-O 3.59Å; S136-S158 WeakPolarHBondContact CA-O 3.12Å; A137-S158 PolarHBondContact N-O 3.48Å; S158-F197 VanDerWaalsContact OG-CB 3.31Å; S158-F197 WeakPolarHBondContact OG-CB 3.17Å
159G93.9Very high89.7Confident18 Ų1840.4 Ų40.419%0.18622%0.217CC..EExtended strand (participates in β ladder)trans-165.2171.7179.400000113.9Y134 V135 E156Y134-G159 WeakPolarHBondContact OH-CA 3.19Å; V135-G159 CarbonylContact O-C 2.85Å; V135-G159 WeakPolarHBondContact O-CA 3.15Å; E156-G159 PolarHBondContact OE1-N 2.78Å
160C94.9Very high90.4Very high25 Ų2536.1 Ų36.117%0.16919%0.194CC..EExtended strand (participates in β ladder)trans-151.8154.1174.982.20000111.7Y134 V135 C196Y134-C160 VanDerWaalsContact CD2-O 3.29Å; Y134-C160 WeakPolarHBondContact CD2-O 3.43Å; V135-C160 PolarHBondContact N-O 3.39Å; V135-C160 PolarHBondContact O-N 2.87Å; C160-C196 HydrophobicContact CB-CB 4.08Å; C160-C196 WeakPolarHBondContact CB-O 3.48Å; C160-C196 WeakPolarHBondContact CB-SG 3.3Å; C160-C196 WeakPolarHBondContact SG-CA 3.13Å; C160-C196 WeakPolarHBondContact SG-CB 3.22Å; C160-C196 CovalentContact SG-SG 2.02Å; C160-C196 PolarHBondContact SG-SG 3.08Å
161S94.9Very high91.2Very high55 Ų5538.7 Ų38.739%0.38521%0.207SC..EExtended strand (participates in β ladder)trans-76.8139.9167.6-60.70000110.8E131 P133E131-S161 VanDerWaalsContact O-CB 3.24Å; E131-S161 WeakPolarHBondContact O-CB 3.5Å; E131-S161 PolarHBondContact O-OG 3.43Å; P133-S161 WeakPolarHBondContact O-CA 3.5Å
162S92.9Very high91.9Very high6 Ų638.5 Ų38.54%0.04221%0.206CC..  trans-149.6136-176.3-174.50000113.5P133 F164 Y187P133-S162 WeakPolarHBondContact CB-O 3.35Å; P133-S162 WeakPolarHBondContact CD-O 3.33Å; P133-S162 PolarHBondContact O-N 3.39Å; S162-F164 PolarHBondContact O-N 3.48Å; S162-F164 VanDerWaalsContact O-N 3.07Å; S162-Y187 WeakPolarHBondContact OG-CE1 3.41Å
163N92.7Very high92.7Very high102 Ų10239.7 Ų39.755%0.54521%0.213SC..  trans-86.444.1-177.6-69.7-46.9000112.9R165 N167 Y187N163-R165 VanDerWaalsContact C-N 3.3Å; N163-R165 PolarHBondContact O-N 3.22Å; N163-N167 PolarHBondContact O-ND2 2.81Å; N163-Y187 HydrophobicContact CB-CD2 4.44Å; N163-Y187 HydrophobicContact CB-CE2 3.95Å
164F95Very high93.6Very high0 Ų039.6 Ų39.60%021%0.212CC..  trans-75-17.3-176.264.2-107.9000114.1F77 V79 F118 T120 P133 V135 S162 N167 S170 L185F77-F164 HydrophobicContact CE2-CB 4.1Å; F77-F164 AromaticContact CE2-CD2 3.63Å; F77-F164 HydrophobicContact CE2-CD2 3.63Å; F77-F164 HydrophobicContact CE2-CE2 4.31Å; F77-F164 HydrophobicContact CE2-CG 4.03Å; F77-F164 HydrophobicContact CZ-CB 3.96Å; F77-F164 HydrophobicContact CZ-CD2 4.14Å; F77-F164 HydrophobicContact CZ-CG 4.07Å; V79-F164 HydrophobicContact CB-CE2 4.31Å; V79-F164 HydrophobicContact CG2-CD2 4.46Å; V79-F164 HydrophobicContact CG2-CE2 4.13Å; F118-F164 HydrophobicContact CB-CE1 4.22Å; F118-F164 HydrophobicContact CB-CZ 3.84Å; F118-F164 HydrophobicContact CD1-CD1 4.49Å; F118-F164 HydrophobicContact CD1-CE1 4.17Å; F118-F164 HydrophobicContact CD1-CZ 4.47Å; T120-F164 HydrophobicContact CG2-CE2 3.99Å; T120-F164 HydrophobicContact CG2-CZ 4.05Å; P133-F164 HydrophobicContact CB-CD1 4Å; P133-F164 HydrophobicContact CB-CE1 3.32Å; P133-F164 HydrophobicContact CB-CE2 4.06Å; P133-F164 HydrophobicContact CB-CZ 3.36Å; P133-F164 HydrophobicContact CG-CE1 4.34Å; P133-F164 HydrophobicContact CG-CE2 4.46Å; P133-F164 HydrophobicContact CG-CZ 4.22Å; V135-F164 HydrophobicContact CG2-CD1 3.99Å; V135-F164 HydrophobicContact CG2-CE1 3.69Å; S162-F164 PolarHBondContact O-N 3.48Å; S162-F164 VanDerWaalsContact O-N 3.07Å; F164-N167 PolarHBondContact O-ND2 3.07Å; F164-N167 VanDerWaalsContact O-ND2 3.14Å; F164-S170 WeakPolarHBondContact CA-OG 3.2Å; F164-S170 PolarHBondContact O-OG 2.78Å; F164-L185 HydrophobicContact CB-CD2 3.96Å; F164-L185 HydrophobicContact CD1-CD2 3.87Å; F164-L185 HydrophobicContact CG-CD2 4.27Å
165R94.3Very high94.4Very high47 Ų4740.4 Ų40.418%0.17721%0.213CC..THydrogen-bonded Turntrans-78.9148.5-173.1-172.8-178.8172.5-71.8-18.5112.2V79 S81 V86 P133 N163 N167 D221V79-R165 HydrophobicContact CG1-CG 4.29Å; S81-R165 VanDerWaalsContact N-NH2 3.15Å; S81-R165 PolarHBondContact O-NH2 2.64Å; V86-R165 VanDerWaalsContact CG2-NE 3.34Å; P133-R165 HydrophobicContact CG-CB 3.87Å; N163-R165 VanDerWaalsContact C-N 3.3Å; N163-R165 PolarHBondContact O-N 3.22Å; R165-N167 PolarHBondContact O-N 2.91Å; R165-N167 VanDerWaalsContact O-N 3.15Å; R165-N167 PolarHBondContact O-ND2 3.43Å; R165-D221 IonicContact CZ-OD2 2.65Å; R165-D221 IonicContact NE-OD2 2.92Å; R165-D221 PolarHBondContact NE-OD2 2.86Å; R165-D221 IonicContact NH2-OD2 3.25Å; R165-D221 PolarHBondContact NH2-OD2 2.82Å; R165-D221 VanDerWaalsContact NH2-OD2 3.1Å
166N93.8Very high95Very high85 Ų8539.8 Ų39.846%0.45521%0.208SC..THydrogen-bonded Turntrans59.318.1177.8-81.1-2.8000115V79 H80 S81V79-N166 PolarHBondContact O-N 2.85Å; H80-N166 WeakPolarHBondContact CA-OD1 3.49Å; S81-N166 PolarHBondContact N-OD1 3.37Å
167N93.7Very high95.3Very high22 Ų2239.1 Ų39.112%0.11821%0.206CC..SBendtrans-92137.9164.4-55.4-67.5000108.7H78 N163 F164 R165 Y169 Q188H78-N167 PolarHBondContact CE1-O 2.58Å; H78-N167 PolarHBondContact ND1-O 2.83Å; N163-N167 PolarHBondContact O-ND2 2.81Å; F164-N167 PolarHBondContact O-ND2 3.07Å; F164-N167 VanDerWaalsContact O-ND2 3.14Å; R165-N167 PolarHBondContact O-N 2.91Å; R165-N167 VanDerWaalsContact O-N 3.15Å; R165-N167 PolarHBondContact O-ND2 3.43Å; N167-Y169 PolarHBondContact O-N 2.85Å; N167-Q188 HydrophobicContact CB-CB 4Å
168D92.3Very high95.4Very high108 Ų10842 Ų4258%0.57822%0.222SC*.SBendtrans-49.2-32179.2-68.2-21.8000112.5
169Y92.6Very high95.4Very high129 Ų12943.1 Ų43.151%0.50623%0.225SC..  trans-147.4138170.952.7-85.6000110.9N167N167-Y169 PolarHBondContact O-N 2.85Å
170S97.7Very high95.5Very high0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-127.7147.5168.4-72.90000109.5F77 F164 K186F77-S170 WeakPolarHBondContact CD1-O 3.37Å; F77-S170 PolarHBondContact N-O 2.79Å; F77-S170 PolarHBondContact O-N 3Å; F77-S170 VanDerWaalsContact O-O 3.1Å; F164-S170 WeakPolarHBondContact CA-OG 3.2Å; F164-S170 PolarHBondContact O-OG 2.78Å; S170-K186 CarbonylContact C-O 3.59Å; S170-K186 WeakPolarHBondContact CA-O 3.47Å
171M98.2Very high95.7Very high65 Ų6544.2 Ų44.232%0.3222%0.223SC..EExtended strand (participates in β ladder)trans-126.1129.3-178.7-178.7-177.2-70.300109.2V74 I75 L76 L185 K186V74-M171 HydrophobicContact CG1-CE 4.19Å; V74-M171 HydrophobicContact CG1-CG 3.58Å; V74-M171 HydrophobicContact CG1-SD 3.6Å; I75-M171 CarbonylContact O-C 3.52Å; I75-M171 VanDerWaalsContact O-CA 3.28Å; I75-M171 WeakPolarHBondContact O-CA 3.22Å; L76-M171 HydrophobicContact CD1-CB 4.35Å; L76-M171 HydrophobicContact CD1-CE 4.24Å; M171-L185 CarbonylContact O-C 3.55Å; M171-L185 VanDerWaalsContact O-CA 3.26Å; M171-L185 WeakPolarHBondContact O-CA 3.22Å; M171-K186 HydrophobicContact CB-CB 4.31Å; M171-K186 PolarHBondContact N-O 2.76Å; M171-K186 PolarHBondContact O-N 3.05Å
172A98.6Very high95.9Very high0 Ų044.2 Ų44.20%022%0.216CC..EExtended strand (participates in β ladder)trans-111.3129.1169.100000109V74 I75 F77 F118V74-A172 CarbonylContact C-O 3.59Å; V74-A172 WeakPolarHBondContact CA-O 3.48Å; I75-A172 PolarHBondContact N-O 3.43Å; I75-A172 PolarHBondContact O-N 3.08Å; F77-A172 HydrophobicContact CE1-CB 3.74Å; F118-A172 HydrophobicContact CE1-CB 3.6Å; F118-A172 HydrophobicContact CZ-CB 3.57Å
173T98.7Very high96.1Very high26 Ų2643.9 Ų43.916%0.1621%0.214CC..EExtended strand (participates in β ladder)trans-109.9114.3172.9-57.90000108.2E72 V74 V183 S184E72-T173 HydrophobicContact CG-CG2 3.63Å; V74-T173 HydrophobicContact CG2-CG2 4.21Å; T173-V183 WeakPolarHBondContact O-CA 3.3Å; T173-S184 PolarHBondContact N-O 3.24Å; T173-S184 PolarHBondContact O-N 3.19Å
174I98.8Very high96.4Very high0 Ų039.7 Ų39.70%019%0.193CC..EExtended strand (participates in β ladder)trans-107.8107.5178.3-54.4169.6000106.6W71 E72 V73 I75 F92 V116 L181 V183W71-I174 HydrophobicContact CH2-CG2 3.99Å; W71-I174 HydrophobicContact CZ3-CB 4.37Å; W71-I174 HydrophobicContact CZ3-CG2 3.86Å; W71-I174 WeakPolarHBondContact CZ3-O 3.28Å; E72-I174 WeakPolarHBondContact CA-O 3.21Å; V73-I174 PolarHBondContact N-O 2.57Å; V73-I174 PolarHBondContact O-N 3.39Å; I75-I174 HydrophobicContact CD1-CD1 4.13Å; F92-I174 HydrophobicContact CB-CD1 3.66Å; F92-I174 HydrophobicContact CD1-CD1 3.38Å; F92-I174 HydrophobicContact CD1-CG2 4.44Å; F92-I174 HydrophobicContact CD2-CD1 4.24Å; F92-I174 HydrophobicContact CE1-CD1 4.06Å; F92-I174 HydrophobicContact CE1-CG2 4.27Å; F92-I174 HydrophobicContact CG-CD1 3.47Å; F92-I174 VanDerWaalsContact CG-CD1 3.47Å; V116-I174 HydrophobicContact CB-CD1 4.14Å; V116-I174 HydrophobicContact CG1-CD1 4.4Å; V116-I174 HydrophobicContact CG2-CD1 4.1Å; V116-I174 HydrophobicContact CG2-CG2 4.19Å; I174-L181 HydrophobicContact CG2-CD1 4.06Å; I174-V183 HydrophobicContact CG1-CG2 4.43Å; I174-V183 HydrophobicContact CG2-CG2 4.38Å
175R98.5Very high96.6Very high55 Ų5539.8 Ų39.821%0.20819%0.193CC..EExtended strand (participates in β ladder)trans-113.9122-174.7-178.8-177.4178.183.73.8109.5E72 A177 L181 K182 L233E72-R175 HydrophobicContact CG-CB 4.28Å; E72-R175 IonicContact OE2-CZ 3.9Å; E72-R175 IonicContact OE2-NH1 2.86Å; E72-R175 PolarHBondContact OE2-NH1 2.87Å; R175-A177 HydrophobicContact CG-CB 4.46Å; R175-L181 WeakPolarHBondContact O-CA 3.46Å; R175-K182 HydrophobicContact CB-CB 4.43Å; R175-K182 PolarHBondContact N-O 2.85Å; R175-K182 PolarHBondContact O-N 3.39Å; R175-L233 HydrophobicContact CG-CD1 3.99Å; R175-L233 VanDerWaalsContact CZ-CD1 3.43Å; R175-L233 VanDerWaalsContact NH1-CD2 3.34Å
176Y98.2Very high96.7Very high6 Ų641.8 Ų41.82%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-115.1110.9170176.8-110.7000109R69 D70 W71 Q180 V202 L204R69-Y176 WeakPolarHBondContact O-CD1 3.38Å; R69-Y176 WeakPolarHBondContact O-CE1 3.47Å; D70-Y176 CarbonylContact C-O 3.47Å; D70-Y176 VanDerWaalsContact CA-O 3.23Å; D70-Y176 WeakPolarHBondContact CA-O 3.38Å; W71-Y176 HydrophobicContact CZ2-CG 4.35Å; W71-Y176 PolarHBondContact N-O 3.11Å; W71-Y176 AromaticContact NE1-CD1 3.64Å; W71-Y176 PolarHBondContact O-N 3.44Å; Y176-Q180 WeakPolarHBondContact CA-O 3.37Å; Y176-V202 HydrophobicContact CD2-CG1 4.12Å; Y176-V202 HydrophobicContact CE2-CB 4.09Å; Y176-V202 HydrophobicContact CE2-CG1 3.68Å; Y176-V202 WeakPolarHBondContact CE2-O 3.19Å; Y176-V202 PolarHBondContact OH-O 3.25Å; Y176-L204 HydrophobicContact CD1-CD1 4.4Å; Y176-L204 HydrophobicContact CD2-CD1 4Å; Y176-L204 HydrophobicContact CE1-CB 4.06Å; Y176-L204 HydrophobicContact CE1-CD1 4.49Å; Y176-L204 HydrophobicContact CE2-CB 4.44Å; Y176-L204 HydrophobicContact CE2-CD1 4.12Å; Y176-L204 HydrophobicContact CE2-CG 4.29Å; Y176-L204 HydrophobicContact CG-CD1 4.13Å; Y176-L204 PolarHBondContact OH-N 3.24Å
177A96.2Very high96.7Very high9 Ų939.5 Ų39.57%0.07419%0.188CC..EExtended strand (participates in β ladder)trans-149139.7-17800000111.3D70 R175 N179 Q180 L233 V235D70-A177 HydrophobicContact CB-CB 4.16Å; D70-A177 VanDerWaalsContact OD1-CA 3.27Å; D70-A177 WeakPolarHBondContact OD1-CA 3.47Å; R175-A177 HydrophobicContact CG-CB 4.46Å; A177-N179 PolarHBondContact O-N 3.19Å; A177-Q180 PolarHBondContact N-O 2.78Å; A177-Q180 WeakPolarHBondContact O-CA 3.45Å; A177-Q180 VanDerWaalsContact O-CB 3.32Å; A177-Q180 WeakPolarHBondContact O-CB 3.43Å; A177-Q180 PolarHBondContact O-N 2.87Å; A177-L233 HydrophobicContact CB-CD1 4.01Å; A177-V235 HydrophobicContact CB-CG1 4.08Å
178N93.7Very high96.5Very high89 Ų8943.3 Ų43.348%0.47621%0.205SC..THydrogen-bonded Turntrans50.540.3179.9-70.5-29.7000113.5D70 Q180 V235D70-N178 PolarHBondContact OD1-N 3.14Å; N178-Q180 PolarHBondContact O-N 2.77Å; N178-V235 VanDerWaalsContact OD1-CG2 3.3Å; N178-V235 WeakPolarHBondContact OD1-CG2 3.48Å
179N94.6Very high96Very high58 Ų5842.1 Ų42.131%0.3122%0.219SC..THydrogen-bonded Turntrans61.424.1-176.7-52.3-16000113.5A177 G201 V202 R237A177-N179 PolarHBondContact O-N 3.19Å; N179-G201 PolarHBondContact O-N 2.88Å; N179-V202 CarbonylContact C-O 3.47Å; N179-V202 WeakPolarHBondContact CA-O 3.29Å; N179-V202 WeakPolarHBondContact CB-O 2.95Å; N179-V202 PolarHBondContact O-N 2.85Å; N179-R237 PolarHBondContact OD1-NH2 3.49Å
180Q96.1Very high95.8Very high67 Ų6736.9 Ų36.931%0.31320%0.202SC..EExtended strand (participates in β ladder)trans-115.5131.5173.8-178.3-175.18800109.1Y176 A177 N178 T198 V199 D200Y176-Q180 WeakPolarHBondContact CA-O 3.37Å; A177-Q180 PolarHBondContact N-O 2.78Å; A177-Q180 WeakPolarHBondContact O-CA 3.45Å; A177-Q180 VanDerWaalsContact O-CB 3.32Å; A177-Q180 WeakPolarHBondContact O-CB 3.43Å; A177-Q180 PolarHBondContact O-N 2.87Å; N178-Q180 PolarHBondContact O-N 2.77Å; Q180-T198 HydrophobicContact CG-CG2 3.52Å; Q180-V199 CarbonylContact C-O 3.56Å; Q180-V199 VanDerWaalsContact CA-O 3.32Å; Q180-V199 WeakPolarHBondContact CA-O 3.32Å; Q180-D200 WeakPolarHBondContact CG-OD1 3.34Å; Q180-D200 PolarHBondContact NE2-OD1 3.26Å
181L98.2Very high95.3Very high0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-99.3123.4169.517865.5000109L114 A137 L157 I174 R175 F197 T198 V199 V202L114-L181 HydrophobicContact CD1-CD2 3.71Å; L114-L181 HydrophobicContact CD2-CD1 3.87Å; L114-L181 HydrophobicContact CD2-CD2 4.26Å; A137-L181 HydrophobicContact CB-CD2 4Å; L157-L181 HydrophobicContact CD2-CD2 4.16Å; I174-L181 HydrophobicContact CG2-CD1 4.06Å; R175-L181 WeakPolarHBondContact O-CA 3.46Å; L181-F197 HydrophobicContact CD2-CE2 4.17Å; L181-F197 HydrophobicContact CG-CE2 4.4Å; L181-T198 CarbonylContact O-C 3.56Å; L181-T198 VanDerWaalsContact O-CA 3.31Å; L181-T198 WeakPolarHBondContact O-CA 3.33Å; L181-V199 PolarHBondContact N-O 3.25Å; L181-V199 PolarHBondContact O-N 2.9Å; L181-V202 HydrophobicContact CB-CB 4.36Å; L181-V202 HydrophobicContact CB-CG1 4.39Å; L181-V202 HydrophobicContact CB-CG2 3.92Å
182K98.2Very high95Very high54 Ų5443.9 Ų43.924%0.23525%0.253CS..EExtended strand (participates in β ladder)trans-123.6131.5173.4177.6168.8-178.1170.10110R175 D195 T198R175-K182 HydrophobicContact CB-CB 4.43Å; R175-K182 PolarHBondContact N-O 2.85Å; R175-K182 PolarHBondContact O-N 3.39Å; K182-D195 VanDerWaalsContact CE-CG 3.43Å; K182-D195 WeakPolarHBondContact CE-OD1 3.32Å; K182-D195 IonicContact NZ-OD1 3.68Å; K182-D195 PolarHBondContact NZ-OD1 3.09Å; K182-D195 IonicContact NZ-OD2 2.79Å; K182-D195 PolarHBondContact NZ-OD2 2.83Å; K182-T198 HydrophobicContact CB-CG2 4.42Å; K182-T198 WeakPolarHBondContact CG-OG1 3.33Å
183V98.6Very high94.8Very high0 Ų047.4 Ų47.40%028%0.276CS..EExtended strand (participates in β ladder)trans-118.7129.7172.2179.70000108.3V116 V135 T173 I174 L185 C196 F197V116-V183 HydrophobicContact CG1-CG2 4.39Å; V116-V183 HydrophobicContact CG2-CG2 4.46Å; V135-V183 HydrophobicContact CG1-CG1 4.17Å; T173-V183 WeakPolarHBondContact O-CA 3.3Å; I174-V183 HydrophobicContact CG1-CG2 4.43Å; I174-V183 HydrophobicContact CG2-CG2 4.38Å; V183-L185 HydrophobicContact CG1-CD1 4.28Å; V183-C196 HydrophobicContact CB-CB 4.43Å; V183-C196 HydrophobicContact CG1-CB 4.31Å; V183-C196 VanDerWaalsContact O-CB 3.24Å; V183-C196 WeakPolarHBondContact O-CB 3.47Å; V183-C196 PolarHBondContact O-N 2.65Å; V183-F197 HydrophobicContact CB-CD1 4.43Å; V183-F197 HydrophobicContact CB-CD2 4.37Å; V183-F197 HydrophobicContact CB-CE1 3.95Å; V183-F197 HydrophobicContact CB-CE2 3.89Å; V183-F197 HydrophobicContact CB-CZ 3.65Å; V183-F197 HydrophobicContact CG1-CE1 4.39Å; V183-F197 HydrophobicContact CG1-CZ 4.36Å; V183-F197 HydrophobicContact CG2-CD2 4.36Å; V183-F197 HydrophobicContact CG2-CE1 4.13Å; V183-F197 HydrophobicContact CG2-CE2 3.48Å; V183-F197 VanDerWaalsContact CG2-CE2 3.48Å; V183-F197 HydrophobicContact CG2-CZ 3.33Å; V183-F197 PolarHBondContact N-O 3.19Å; V183-F197 PolarHBondContact O-N 3.28Å
184S98.3Very high94.7Very high13 Ų1349 Ų499%0.09129%0.286CS..EExtended strand (participates in β ladder)trans-133.3151.1173.557.60000110.2T173 V194T173-S184 PolarHBondContact N-O 3.24Å; T173-S184 PolarHBondContact O-N 3.19Å; S184-V194 CarbonylContact C-O 3.51Å; S184-V194 VanDerWaalsContact CA-O 3.26Å; S184-V194 WeakPolarHBondContact CA-O 3.48Å; S184-V194 WeakPolarHBondContact CB-O 3.42Å
185L98.3Very high94.6Very high2 Ų253.7 Ų53.71%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-124144179.2-70.998.5000111.2F77 F118 V135 F164 M171 V183 Y187 V194 C196F77-L185 HydrophobicContact CZ-CD2 4.44Å; F118-L185 HydrophobicContact CD1-CD2 4.46Å; F118-L185 HydrophobicContact CE1-CD2 4.13Å; V135-L185 HydrophobicContact CB-CD1 4.48Å; V135-L185 HydrophobicContact CG1-CD1 4.45Å; V135-L185 HydrophobicContact CG2-CD1 4.09Å; V135-L185 HydrophobicContact CG2-CD2 4.11Å; F164-L185 HydrophobicContact CB-CD2 3.96Å; F164-L185 HydrophobicContact CD1-CD2 3.87Å; F164-L185 HydrophobicContact CG-CD2 4.27Å; M171-L185 CarbonylContact O-C 3.55Å; M171-L185 VanDerWaalsContact O-CA 3.26Å; M171-L185 WeakPolarHBondContact O-CA 3.22Å; V183-L185 HydrophobicContact CG1-CD1 4.28Å; L185-Y187 HydrophobicContact CB-CD1 4.25Å; L185-Y187 HydrophobicContact CB-CE1 4.38Å; L185-V194 PolarHBondContact N-O 3.35Å; L185-V194 PolarHBondContact O-N 3.4Å; L185-C196 HydrophobicContact CD1-CB 3.78Å
186K97Very high94.6Very high89 Ų8951.9 Ų51.939%0.38731%0.307SS..EExtended strand (participates in β ladder)trans-127130.2168.8-179.6172.1-177.7166.90109S170 M171S170-K186 CarbonylContact C-O 3.59Å; S170-K186 WeakPolarHBondContact CA-O 3.47Å; M171-K186 HydrophobicContact CB-CB 4.31Å; M171-K186 PolarHBondContact N-O 2.76Å; M171-K186 PolarHBondContact O-N 3.05Å
187Y94Very high94.5Very high38 Ų3852.1 Ų52.115%0.14931%0.308CS..EExtended strand (participates in β ladder)trans-146.3167.9-179.148-96.5000109.7S162 N163 L185 G189 A190 V194S162-Y187 WeakPolarHBondContact OG-CE1 3.41Å; N163-Y187 HydrophobicContact CB-CD2 4.44Å; N163-Y187 HydrophobicContact CB-CE2 3.95Å; L185-Y187 HydrophobicContact CB-CD1 4.25Å; L185-Y187 HydrophobicContact CB-CE1 4.38Å; Y187-G189 PolarHBondContact O-N 3.21Å; Y187-A190 HydrophobicContact CD2-CB 4.23Å; Y187-A190 HydrophobicContact CE2-CB 4.08Å; Y187-A190 PolarHBondContact O-N 3.48Å; Y187-A190 VanDerWaalsContact O-N 3.08Å; Y187-V194 HydrophobicContact CE1-CG2 4.41Å
188Q88.9Confident94.6Very high101 Ų10154.7 Ų54.747%0.47232%0.323SS..THydrogen-bonded Turntrans-58.8128-180-176.5175.1-17.200110.8N167N167-Q188 HydrophobicContact CB-CB 4Å
189G83.1Confident94.7Very high83 Ų8350.8 Ų50.886%0.85630%0.302SS*.THydrogen-bonded Turntrans98.3-18.5-176.200000114.5Y187Y187-G189 PolarHBondContact O-N 3.21Å
190A87.1Confident94.7Very high20 Ų2052.2 Ų52.217%0.16531%0.31CS..  trans-85.6119.6167.700000109.9Y187 V194Y187-A190 HydrophobicContact CD2-CB 4.23Å; Y187-A190 HydrophobicContact CE2-CB 4.08Å; Y187-A190 PolarHBondContact O-N 3.48Å; Y187-A190 VanDerWaalsContact O-N 3.08Å; A190-V194 HydrophobicContact CB-CG2 3.97Å
191A88.4Confident94.7Very high88 Ų8849.7 Ų49.773%0.72730%0.302SS*.SBendtrans-66.2-46.2177.700000111.3
192D92Very high94.6Very high123 Ų12349.7 Ų49.766%0.65830%0.302SS*.SBendtrans-114.2160.3178.3-62.8-54.5000110.7V194D192-V194 PolarHBondContact O-N 3.5Å
193P94.7Very high94.5Very high75 Ų7551 Ų5149%0.48731%0.305SS..PPolyproline II helixtrans-54129.4167.2-22.934000111.1
194V96.5Very high94.4Very high60 Ų6051.3 Ų51.336%0.36431%0.306SS..EExtended strand (participates in β ladder)trans-88120.1176.5-177.80000108.5S184 L185 Y187 A190 D192 C196S184-V194 CarbonylContact C-O 3.51Å; S184-V194 VanDerWaalsContact CA-O 3.26Å; S184-V194 WeakPolarHBondContact CA-O 3.48Å; S184-V194 WeakPolarHBondContact CB-O 3.42Å; L185-V194 PolarHBondContact N-O 3.35Å; L185-V194 PolarHBondContact O-N 3.4Å; Y187-V194 HydrophobicContact CE1-CG2 4.41Å; A190-V194 HydrophobicContact CB-CG2 3.97Å; D192-V194 PolarHBondContact O-N 3.5Å; V194-C196 PolarHBondContact O-N 3.44Å
195D96.9Very high94.4Very high97 Ų9750.7 Ų50.752%0.51930%0.302SS..EExtended strand (participates in β ladder)trans-66.5121.3172-77.9-11.7000109.5K182K182-D195 VanDerWaalsContact CE-CG 3.43Å; K182-D195 WeakPolarHBondContact CE-OD1 3.32Å; K182-D195 IonicContact NZ-OD1 3.68Å; K182-D195 PolarHBondContact NZ-OD1 3.09Å; K182-D195 IonicContact NZ-OD2 2.79Å; K182-D195 PolarHBondContact NZ-OD2 2.83Å
196C97.1Very high94.3Very high18 Ų1851.6 Ų51.612%0.12231%0.308CS..EExtended strand (participates in β ladder)trans-87.7-60.6179-176.10000110.4C160 V183 L185 V194C160-C196 HydrophobicContact CB-CB 4.08Å; C160-C196 WeakPolarHBondContact CB-O 3.48Å; C160-C196 WeakPolarHBondContact CB-SG 3.3Å; C160-C196 WeakPolarHBondContact SG-CA 3.13Å; C160-C196 WeakPolarHBondContact SG-CB 3.22Å; C160-C196 CovalentContact SG-SG 2.02Å; C160-C196 PolarHBondContact SG-SG 3.08Å; V183-C196 HydrophobicContact CB-CB 4.43Å; V183-C196 HydrophobicContact CG1-CB 4.31Å; V183-C196 VanDerWaalsContact O-CB 3.24Å; V183-C196 WeakPolarHBondContact O-CB 3.47Å; V183-C196 PolarHBondContact O-N 2.65Å; L185-C196 HydrophobicContact CD1-CB 3.78Å; V194-C196 PolarHBondContact O-N 3.44Å
197F96.8Very high94.4Very high11 Ų1148.2 Ų48.25%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-153.6161.5172.855.8-99000111.3V135 A137 S158 L181 V183 V199V135-F197 HydrophobicContact CG1-CE1 4.39Å; A137-F197 HydrophobicContact CB-CE2 3.84Å; A137-F197 HydrophobicContact CB-CZ 3.58Å; S158-F197 VanDerWaalsContact OG-CB 3.31Å; S158-F197 WeakPolarHBondContact OG-CB 3.17Å; L181-F197 HydrophobicContact CD2-CE2 4.17Å; L181-F197 HydrophobicContact CG-CE2 4.4Å; V183-F197 HydrophobicContact CB-CD1 4.43Å; V183-F197 HydrophobicContact CB-CD2 4.37Å; V183-F197 HydrophobicContact CB-CE1 3.95Å; V183-F197 HydrophobicContact CB-CE2 3.89Å; V183-F197 HydrophobicContact CB-CZ 3.65Å; V183-F197 HydrophobicContact CG1-CE1 4.39Å; V183-F197 HydrophobicContact CG1-CZ 4.36Å; V183-F197 HydrophobicContact CG2-CD2 4.36Å; V183-F197 HydrophobicContact CG2-CE1 4.13Å; V183-F197 HydrophobicContact CG2-CE2 3.48Å; V183-F197 VanDerWaalsContact CG2-CE2 3.48Å; V183-F197 HydrophobicContact CG2-CZ 3.33Å; V183-F197 PolarHBondContact N-O 3.19Å; V183-F197 PolarHBondContact O-N 3.28Å; F197-V199 HydrophobicContact CD2-CG2 4.16Å
198T97.2Very high94.6Very high63 Ų6347 Ų4739%0.38729%0.293SS..EExtended strand (participates in β ladder)trans-139.3130.1172.1-62.10000108.4Q180 L181 K182Q180-T198 HydrophobicContact CG-CG2 3.52Å; L181-T198 CarbonylContact O-C 3.56Å; L181-T198 VanDerWaalsContact O-CA 3.31Å; L181-T198 WeakPolarHBondContact O-CA 3.33Å; K182-T198 HydrophobicContact CB-CG2 4.42Å; K182-T198 WeakPolarHBondContact CG-OG1 3.33Å
199V96.1Very high95Very high7 Ų744 Ų444%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-130.5118.9-176.9-173.50000109.3L157 Q180 L181 F197 V202L157-V199 HydrophobicContact CD1-CG1 4.04Å; L157-V199 HydrophobicContact CD2-CB 4.13Å; L157-V199 HydrophobicContact CD2-CG1 3.98Å; L157-V199 HydrophobicContact CD2-CG2 4.06Å; L157-V199 HydrophobicContact CG-CB 4.47Å; L157-V199 HydrophobicContact CG-CG1 4.01Å; L157-V199 HydrophobicContact CG-CG2 4.12Å; Q180-V199 CarbonylContact C-O 3.56Å; Q180-V199 VanDerWaalsContact CA-O 3.32Å; Q180-V199 WeakPolarHBondContact CA-O 3.32Å; L181-V199 PolarHBondContact N-O 3.25Å; L181-V199 PolarHBondContact O-N 2.9Å; F197-V199 HydrophobicContact CD2-CG2 4.16Å; V199-V202 HydrophobicContact CB-CG2 4.15Å; V199-V202 HydrophobicContact CG1-CG2 3.94Å
200D95.5Very high95.8Very high88 Ų8840 Ų4047%0.47124%0.238SC..EExtended strand (participates in β ladder)trans-83.7161.7174.5-65.6-48.8000111.8Q180 V202Q180-D200 WeakPolarHBondContact CG-OD1 3.34Å; Q180-D200 PolarHBondContact NE2-OD1 3.26Å; D200-V202 VanDerWaalsContact C-N 3.25Å; D200-V202 PolarHBondContact O-N 3.37Å
201G95Very high96.3Very high14 Ų1439 Ų3914%0.14423%0.23CC..SBendtrans7318.7175.700000113.8N179 A252 D253N179-G201 PolarHBondContact O-N 2.88Å; G201-A252 WeakPolarHBondContact O-CA 3.3Å; G201-D253 VanDerWaalsContact CA-OD2 3.26Å; G201-D253 WeakPolarHBondContact CA-OD2 3.42Å; G201-D253 PolarHBondContact O-N 3.49Å; G201-D253 VanDerWaalsContact O-N 3.13Å
202V96.7Very high96.8Very high0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-77.6127.6172.8173.70000109.2I139 L157 Y176 N179 L181 V199 D200 L204 A252I139-V202 HydrophobicContact CD1-CB 4.15Å; I139-V202 HydrophobicContact CD1-CG1 3.46Å; I139-V202 VanDerWaalsContact CD1-CG1 3.46Å; I139-V202 HydrophobicContact CD1-CG2 3.76Å; L157-V202 HydrophobicContact CD2-CG2 4.2Å; Y176-V202 HydrophobicContact CD2-CG1 4.12Å; Y176-V202 HydrophobicContact CE2-CB 4.09Å; Y176-V202 HydrophobicContact CE2-CG1 3.68Å; Y176-V202 WeakPolarHBondContact CE2-O 3.19Å; Y176-V202 PolarHBondContact OH-O 3.25Å; N179-V202 CarbonylContact C-O 3.47Å; N179-V202 WeakPolarHBondContact CA-O 3.29Å; N179-V202 WeakPolarHBondContact CB-O 2.95Å; N179-V202 PolarHBondContact O-N 2.85Å; L181-V202 HydrophobicContact CB-CB 4.36Å; L181-V202 HydrophobicContact CB-CG1 4.39Å; L181-V202 HydrophobicContact CB-CG2 3.92Å; V199-V202 HydrophobicContact CB-CG2 4.15Å; V199-V202 HydrophobicContact CG1-CG2 3.94Å; D200-V202 VanDerWaalsContact C-N 3.25Å; D200-V202 PolarHBondContact O-N 3.37Å; V202-L204 HydrophobicContact CG1-CD1 4.17Å; V202-L204 HydrophobicContact CG1-CG 3.96Å; V202-A252 HydrophobicContact CG2-CB 4.25Å
203R96.1Very high97.2Very high82 Ų8229 Ų2931%0.30916%0.164SC..EExtended strand (participates in β ladder)trans-117.5118.3175.7-72.1178.3-69.4-83.3-2.7108.9I248 P250 S251 D253R203-I248 HydrophobicContact CB-CG2 3.8Å; R203-P250 VanDerWaalsContact O-CA 3.26Å; R203-P250 WeakPolarHBondContact O-CA 3.43Å; R203-S251 PolarHBondContact N-O 2.88Å; R203-S251 PolarHBondContact NE-OG 3.08Å; R203-S251 PolarHBondContact NH2-OG 3.1Å; R203-S251 PolarHBondContact O-N 3.32Å; R203-D253 IonicContact CZ-OD1 3.31Å; R203-D253 VanDerWaalsContact CZ-OD1 3.25Å; R203-D253 IonicContact NH1-OD1 2.7Å; R203-D253 PolarHBondContact NH1-OD1 3.25Å; R203-D253 IonicContact NH1-OD2 2.91Å; R203-D253 PolarHBondContact NH1-OD2 3.17Å; R203-D253 IonicContact NH2-OD1 3.7Å; R203-D253 PolarHBondContact NH2-OD1 3.08Å
204L97.5Very high97.3Very high5 Ų525.4 Ų25.43%0.02614%0.141CC..  trans-124.7138173.8-65171.1000109.8W71 Y94 L114 I139 Y176 V202 P250W71-L204 HydrophobicContact CZ2-CD1 4.36Å; Y94-L204 HydrophobicContact CD1-CD1 4.23Å; Y94-L204 HydrophobicContact CE1-CB 4.11Å; L114-L204 HydrophobicContact CB-CD1 4Å; L114-L204 HydrophobicContact CB-CD2 3.98Å; L114-L204 HydrophobicContact CD2-CD1 3.99Å; I139-L204 HydrophobicContact CG2-CD2 4.45Å; Y176-L204 HydrophobicContact CD1-CD1 4.4Å; Y176-L204 HydrophobicContact CD2-CD1 4Å; Y176-L204 HydrophobicContact CE1-CB 4.06Å; Y176-L204 HydrophobicContact CE1-CD1 4.49Å; Y176-L204 HydrophobicContact CE2-CB 4.44Å; Y176-L204 HydrophobicContact CE2-CD1 4.12Å; Y176-L204 HydrophobicContact CE2-CG 4.29Å; Y176-L204 HydrophobicContact CG-CD1 4.13Å; Y176-L204 PolarHBondContact OH-N 3.24Å; V202-L204 HydrophobicContact CG1-CD1 4.17Å; V202-L204 HydrophobicContact CG1-CG 3.96Å; L204-P250 HydrophobicContact CD2-CB 4.31Å
205P96.9Very high97.4Very high1 Ų122.9 Ų22.91%0.00613%0.126CC..  trans-72.4154.6173.927.8-32.1000111.7Y94 Y208 F245 I248 P250Y94-P205 VanDerWaalsContact CE1-O 3.29Å; Y94-P205 WeakPolarHBondContact CE1-O 3.48Å; Y94-P205 PolarHBondContact OH-O 3.47Å; P205-Y208 HydrophobicContact CB-CE1 4.1Å; P205-Y208 HydrophobicContact CG-CD1 3.97Å; P205-Y208 HydrophobicContact CG-CD2 4Å; P205-Y208 HydrophobicContact CG-CE1 3.43Å; P205-Y208 VanDerWaalsContact CG-CE1 3.43Å; P205-Y208 HydrophobicContact CG-CE2 3.47Å; P205-Y208 VanDerWaalsContact CG-CE2 3.47Å; P205-Y208 HydrophobicContact CG-CG 4.26Å; P205-Y208 WeakPolarHBondContact CG-OH 3.29Å; P205-F245 WeakPolarHBondContact CA-O 3.41Å; P205-I248 HydrophobicContact CB-CB 4.19Å; P205-I248 VanDerWaalsContact CB-O 3.31Å; P205-I248 WeakPolarHBondContact CB-O 3.19Å; P205-I248 WeakPolarHBondContact CG-O 3.27Å; P205-P250 HydrophobicContact CG-CG 4.19Å
206T97Very high97.3Very high21 Ų2118.5 Ų18.513%0.12910%0.103CC..SBendtrans-79.6156.6168.353.70000111.6R69 Y94 F245 S246R69-T206 HydrophobicContact CB-CG2 4.43Å; R69-T206 HydrophobicContact CG-CG2 3.76Å; Y94-T206 WeakPolarHBondContact OH-CA 3.45Å; T206-F245 HydrophobicContact CG2-CB 3.88Å; T206-F245 PolarHBondContact N-O 2.96Å; T206-F245 VanDerWaalsContact N-O 3.11Å; T206-S246 PolarHBondContact OG1-N 3.26Å
207G97.8Very high97Very high17 Ų1718.8 Ų18.818%0.17511%0.109CC..SBendtrans83.625.1173.200000113.6P65 L66P65-G207 WeakPolarHBondContact CB-O 3.23Å; L66-G207 WeakPolarHBondContact O-CA 3.41Å; L66-G207 PolarHBondContact O-N 3Å
208Y98.5Very high96.7Very high13 Ų1324.3 Ų24.35%0.05114%0.139CC..BIsolated β-bridgetrans-91.7169.6168.8-7916.8000110.3P65 L66 Y94 T95 Q96 R112 P205 P250P65-Y208 CarbonylContact C-O 3.55Å; P65-Y208 WeakPolarHBondContact CA-O 3.25Å; L66-Y208 PolarHBondContact N-O 3.47Å; Y94-Y208 HydrophobicContact CD1-CD2 4.32Å; Y94-Y208 HydrophobicContact CE1-CD2 4.16Å; Y94-Y208 HydrophobicContact CE1-CG 4.19Å; T95-Y208 WeakPolarHBondContact O-CB 3.18Å; Q96-Y208 HydrophobicContact CB-CD1 4.27Å; Q96-Y208 HydrophobicContact CB-CD2 4.33Å; Q96-Y208 HydrophobicContact CB-CE1 3.81Å; Q96-Y208 HydrophobicContact CB-CE2 3.86Å; Q96-Y208 HydrophobicContact CG-CE1 3.9Å; R112-Y208 HydrophobicContact CG-CE2 4.34Å; R112-Y208 PolarHBondContact NE-OH 2.83Å; R112-Y208 WeakPolarHBondContact O-CE2 3.39Å; P205-Y208 HydrophobicContact CB-CE1 4.1Å; P205-Y208 HydrophobicContact CG-CD1 3.97Å; P205-Y208 HydrophobicContact CG-CD2 4Å; P205-Y208 HydrophobicContact CG-CE1 3.43Å; P205-Y208 VanDerWaalsContact CG-CE1 3.43Å; P205-Y208 HydrophobicContact CG-CE2 3.47Å; P205-Y208 VanDerWaalsContact CG-CE2 3.47Å; P205-Y208 HydrophobicContact CG-CG 4.26Å; P205-Y208 WeakPolarHBondContact CG-OH 3.29Å; Y208-P250 HydrophobicContact CE2-CG 4.1Å
209F98.7Very high96.6Very high37 Ų3723 Ų2316%0.16213%0.129CC..EExtended strand (participates in β ladder)trans-101.5140.7-175.8-59.7-89.4000110.6N62 I63 P65 Y94 T95 Q96 P98N62-F209 WeakPolarHBondContact O-CD1 3.12Å; I63-F209 WeakPolarHBondContact O-CE1 3.24Å; P65-F209 HydrophobicContact CB-CE1 4.35Å; P65-F209 HydrophobicContact CG-CD1 4.42Å; P65-F209 HydrophobicContact CG-CE1 3.7Å; P65-F209 HydrophobicContact CG-CZ 3.82Å; Y94-F209 CarbonylContact C-O 3.58Å; Y94-F209 WeakPolarHBondContact CA-O 3.36Å; T95-F209 PolarHBondContact N-O 2.84Å; T95-F209 PolarHBondContact O-N 2.85Å; Q96-F209 WeakPolarHBondContact O-CD2 3.11Å; Q96-F209 VanDerWaalsContact O-CE2 3.31Å; Q96-F209 WeakPolarHBondContact O-CE2 3.38Å; P98-F209 HydrophobicContact CB-CB 4.46Å; P98-F209 HydrophobicContact CG-CB 4.23Å; P98-F209 HydrophobicContact CG-CD1 3.92Å; P98-F209 HydrophobicContact CG-CD2 4.03Å; P98-F209 HydrophobicContact CG-CE1 4.24Å; P98-F209 HydrophobicContact CG-CE2 4.36Å; P98-F209 HydrophobicContact CG-CG 3.78Å; P98-F209 HydrophobicContact CG-CZ 4.45Å
210I98.8Very high96.5Very high0 Ų022.8 Ų22.80%013%0.128CC..EExtended strand (participates in β ladder)trans-96.5151.9173.360.5170.7000111.7N23 W34 F61 N62 L66 F92 W93 Y94N23-I210 HydrophobicContact CB-CD1 3.91Å; N23-I210 VanDerWaalsContact O-CD1 3.24Å; N23-I210 WeakPolarHBondContact O-CD1 3.41Å; W34-I210 HydrophobicContact CH2-CD1 3.79Å; W34-I210 HydrophobicContact CH2-CG1 4.06Å; W34-I210 HydrophobicContact CZ2-CD1 3.94Å; W34-I210 HydrophobicContact CZ2-CG1 4.49Å; F61-I210 WeakPolarHBondContact CA-O 3.5Å; N62-I210 HydrophobicContact CB-CD1 4.46Å; N62-I210 HydrophobicContact CB-CG1 3.77Å; N62-I210 PolarHBondContact N-O 2.8Å; L66-I210 HydrophobicContact CD2-CG2 4.04Å; F92-I210 HydrophobicContact CE2-CB 4.11Å; F92-I210 HydrophobicContact CE2-CG2 4.13Å; F92-I210 HydrophobicContact CZ-CB 4.43Å; F92-I210 HydrophobicContact CZ-CG2 3.97Å; W93-I210 WeakPolarHBondContact O-CA 3.32Å; Y94-I210 HydrophobicContact CD2-CG2 3.78Å
211G98.7Very high96.5Very high0 Ų018.6 Ų18.60%011%0.106CC..EExtended strand (participates in β ladder)trans-171.7173.7169.400000112.2I60 W93I60-G211 CarbonylContact O-C 3.56Å; I60-G211 VanDerWaalsContact O-CA 3.26Å; I60-G211 WeakPolarHBondContact O-CA 3.42Å; W93-G211 PolarHBondContact N-O 2.76Å; W93-G211 PolarHBondContact O-N 3.16Å; W93-G211 VanDerWaalsContact O-N 3.09Å
212V98.9Very high96.7Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-131.6144.5173.7-66.30000109.5L49 G59 I60 I75 A91 F92 I225 I228L49-V212 HydrophobicContact CD1-CB 4.11Å; L49-V212 HydrophobicContact CD1-CG2 3.88Å; L49-V212 HydrophobicContact CD2-CG2 4.12Å; G59-V212 CarbonylContact C-O 3.56Å; G59-V212 WeakPolarHBondContact CA-O 3.37Å; I60-V212 HydrophobicContact CG2-CG2 3.64Å; I60-V212 PolarHBondContact N-O 3.45Å; I60-V212 PolarHBondContact O-N 3.42Å; I75-V212 HydrophobicContact CD1-CG1 3.95Å; A91-V212 CarbonylContact O-C 3.31Å; A91-V212 WeakPolarHBondContact O-CA 3.48Å; F92-V212 HydrophobicContact CB-CG1 4.39Å; F92-V212 HydrophobicContact CD2-CG1 4.23Å; V212-I225 HydrophobicContact CG2-CD1 4.4Å; V212-I225 HydrophobicContact CG2-CG1 4.08Å; V212-I228 HydrophobicContact CG1-CD1 3.98Å; V212-I228 HydrophobicContact CG2-CD1 3.9Å
213S98.8Very high96.7Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-142.7156.3178.568.60000111.1Y37 G58 F90 A91 W93 F105Y37-S213 WeakPolarHBondContact OH-CB 3.47Å; G58-S213 CarbonylContact O-C 3.36Å; G58-S213 VanDerWaalsContact O-CA 3.26Å; G58-S213 WeakPolarHBondContact O-CA 3.48Å; G58-S213 WeakPolarHBondContact O-CB 3.3Å; F90-S213 CarbonylContact C-O 3.44Å; F90-S213 WeakPolarHBondContact CA-O 3.48Å; F90-S213 VanDerWaalsContact CB-O 3.23Å; F90-S213 WeakPolarHBondContact CB-O 3.31Å; A91-S213 PolarHBondContact N-O 2.84Å; A91-S213 PolarHBondContact O-N 2.66Å; W93-S213 PolarHBondContact NE1-OG 2.7Å; F105-S213 CarbonylContact O-C 3.58Å; F105-S213 VanDerWaalsContact O-CB 3.25Å; F105-S213 WeakPolarHBondContact O-CB 3.37Å; F105-S213 PolarHBondContact O-OG 2.7Å
214A98.6Very high96.9Very high0 Ų015.1 Ų15.10%09%0.09CC..EExtended strand (participates in β ladder)trans-138.9156.6174.700000111.1L49 T50 Q57 G58 G89 F90 F105 H223L49-A214 HydrophobicContact CB-CB 3.7Å; L49-A214 HydrophobicContact CD1-CB 4.1Å; T50-A214 HydrophobicContact CG2-CB 4.02Å; T50-A214 WeakPolarHBondContact CG2-O 3.35Å; Q57-A214 WeakPolarHBondContact CA-O 3.44Å; G58-A214 PolarHBondContact N-O 3.02Å; G58-A214 PolarHBondContact O-N 3.26Å; G89-A214 WeakPolarHBondContact O-CA 3.43Å; G89-A214 WeakPolarHBondContact O-CB 3.11Å; F90-A214 HydrophobicContact CB-CB 3.79Å; F105-A214 CarbonylContact O-C 3.55Å; F105-A214 VanDerWaalsContact O-C 3.31Å; F105-A214 VanDerWaalsContact O-CA 3.29Å; F105-A214 WeakPolarHBondContact O-CA 3.32Å; F105-A214 PolarHBondContact O-N 3.12Å; F105-A214 VanDerWaalsContact O-N 3.09Å; A214-H223 HydrophobicContact CB-CB 3.68Å
215A97.2Very high96.9Very high6 Ų614.9 Ų14.95%0.059%0.089CC..EExtended strand (participates in β ladder)trans-141155.9172.500000111.3S56 Q57 D88 G89S56-A215 CarbonylContact O-C 3.59Å; S56-A215 WeakPolarHBondContact O-CA 3.18Å; Q57-A215 HydrophobicContact CG-CB 3.89Å; D88-A215 PolarHBondContact N-O 2.6Å; G89-A215 PolarHBondContact O-N 2.97Å
216T95.5Very high97Very high5 Ų517.9 Ų17.93%0.03110%0.1CC..  trans-130.7132.6173.158.90000108.2I53 S55 S56I53-T216 WeakPolarHBondContact O-CB 3.49Å; I53-T216 PolarHBondContact O-OG1 3.24Å; S55-T216 WeakPolarHBondContact CA-O 3.5Å; S55-T216 PolarHBondContact N-O 3.48Å; S55-T216 VanDerWaalsContact N-O 3.17Å; S55-T216 PolarHBondContact N-OG1 3.15Å; S56-T216 WeakPolarHBondContact CA-OG1 3.24Å; S56-T216 WeakPolarHBondContact CB-OG1 3.49Å; S56-T216 PolarHBondContact N-O 3.43Å; S56-T216 PolarHBondContact N-OG1 3.09Å; S56-T216 PolarHBondContact O-N 2.79Å; S56-T216 PolarHBondContact O-OG1 3.36Å; S56-T216 VanDerWaalsContact O-OG1 3.1Å
217G91.4Very high97Very high24 Ų2417.4 Ų17.425%0.24710%0.098CC..SBendtrans-96.2-123.2172.600000112.3K54 S55 D88 L219K54-G217 WeakPolarHBondContact CA-O 3.38Å; K54-G217 WeakPolarHBondContact CB-O 3.48Å; S55-G217 PolarHBondContact N-O 3.25Å; D88-G217 WeakPolarHBondContact OD2-CA 2.9Å; D88-G217 PolarHBondContact OD2-N 3.47Å; G217-L219 VanDerWaalsContact C-N 3.31Å; G217-L219 CarbonylContact C-O 3.5Å; G217-L219 PolarHBondContact N-O 2.74Å; G217-L219 VanDerWaalsContact N-O 3.17Å
218D90.6Very high97.1Very high127 Ų12716.7 Ų16.768%0.6799%0.09SC*.SBendtrans-73.1-27.2173.5-85.8-32000112.9K54K54-D218 WeakPolarHBondContact CD-O 3.33Å; K54-D218 WeakPolarHBondContact CE-O 3.06Å; K54-D218 PolarHBondContact NZ-O 3.48Å
219L93.1Very high97.1Very high36 Ų3618.4 Ų18.419%0.18810%0.098CC..SBendtrans-102.2160.3168.3-57.1179.3000109.1L85 V86 Y121 G217L85-L219 HydrophobicContact CB-CD1 4.18Å; L85-L219 HydrophobicContact CB-CD2 3.8Å; V86-L219 VanDerWaalsContact C-CB 3.45Å; V86-L219 WeakPolarHBondContact O-CD1 3.41Å; Y121-L219 HydrophobicContact CD2-CD1 3.33Å; Y121-L219 HydrophobicContact CE1-CD1 4.38Å; Y121-L219 HydrophobicContact CE2-CD1 3.15Å; Y121-L219 HydrophobicContact CG-CD1 4.02Å; G217-L219 VanDerWaalsContact C-N 3.31Å; G217-L219 CarbonylContact C-O 3.5Å; G217-L219 PolarHBondContact N-O 2.74Å; G217-L219 VanDerWaalsContact N-O 3.17Å
220S95.3Very high97.1Very high3 Ų316.7 Ų16.72%0.0219%0.091CC..  trans-147.8154-171.2590000110.9D52 I53 K83 G87D52-S220 VanDerWaalsContact OD1-C 3.23Å; D52-S220 WeakPolarHBondContact OD1-CB 3.43Å; D52-S220 VanDerWaalsContact OD1-O 3.06Å; D52-S220 PolarHBondContact OD1-OG 3.3Å; I53-S220 VanDerWaalsContact C-CB 3.47Å; I53-S220 WeakPolarHBondContact O-CB 3.49Å; K83-S220 PolarHBondContact NZ-OG 3.25Å; K83-S220 VanDerWaalsContact NZ-OG 3.08Å; G87-S220 CarbonylContact O-C 3.55Å; G87-S220 WeakPolarHBondContact O-CA 3.26Å; G87-S220 PolarHBondContact O-N 3.01Å
221D95.6Very high97.1Very high0 Ų019.4 Ų19.40%010%0.101CC..  trans-149.8155.9175.8-145.6-43.2000108.9S51 V79 H80 S81 V86 G87 R165 H223S51-D221 CarbonylContact C-O 3.57Å; V79-D221 HydrophobicContact CG1-CB 4.15Å; H80-D221 WeakPolarHBondContact CA-OD1 3.48Å; H80-D221 PolarHBondContact N-OD1 2.93Å; S81-D221 PolarHBondContact N-OD1 2.81Å; V86-D221 HydrophobicContact CB-CB 4.47Å; V86-D221 WeakPolarHBondContact CB-OD2 3.34Å; G87-D221 PolarHBondContact O-N 3.5Å; R165-D221 IonicContact CZ-OD2 2.65Å; R165-D221 IonicContact NE-OD2 2.92Å; R165-D221 PolarHBondContact NE-OD2 2.86Å; R165-D221 IonicContact NH2-OD2 3.25Å; R165-D221 PolarHBondContact NH2-OD2 2.82Å; R165-D221 VanDerWaalsContact NH2-OD2 3.1Å; D221-H223 PolarHBondContact O-CE1 3.45Å; D221-H223 PolarHBondContact O-ND1 3.1Å
222N97.9Very high97Very high19 Ų1923.8 Ų23.810%0.10212%0.122CC..EExtended strand (participates in β ladder)trans-81.7134.6169.1-61.1-64.9000108.6S51 D52 V79 H80S51-N222 WeakPolarHBondContact CA-OD1 3.23Å; D52-N222 PolarHBondContact N-OD1 2.95Å; V79-N222 VanDerWaalsContact CA-O 3.3Å; V79-N222 WeakPolarHBondContact CA-O 3.18Å; H80-N222 PolarHBondContact CE1-ND2 2.85Å; H80-N222 VanDerWaalsContact CE1-ND2 3.32Å; H80-N222 PolarHBondContact N-O 2.85Å; H80-N222 WeakPolarHBondContact NE2-CB 3.29Å; H80-N222 WeakPolarHBondContact O-CB 3.3Å; H80-N222 PolarHBondContact O-N 2.85Å; H80-N222 PolarHBondContact O-ND2 3.21Å
223H98.4Very high96.9Very high1 Ų124.3 Ų24.31%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-120.989.8179.6-60.385.8000109.9L49 T50 G89 A214 D221L49-H223 HydrophobicContact CB-CB 4.25Å; L49-H223 PolarHBondContact N-O 3.28Å; T50-H223 PolarHBondContact O-N 2.6Å; T50-H223 VanDerWaalsContact O-N 3.08Å; T50-H223 PolarHBondContact OG1-ND1 3.05Å; G89-H223 VanDerWaalsContact C-CD2 3.48Å; G89-H223 WeakPolarHBondContact CA-NE2 3.4Å; G89-H223 PolarHBondContact N-NE2 3.05Å; G89-H223 PolarHBondContact O-CD2 3.13Å; G89-H223 PolarHBondContact O-NE2 3.2Å; A214-H223 HydrophobicContact CB-CB 3.68Å; D221-H223 PolarHBondContact O-CE1 3.45Å; D221-H223 PolarHBondContact O-ND1 3.1Å
224D98.5Very high96.6Very high2 Ų229.1 Ų29.11%0.01115%0.151CC..EExtended strand (participates in β ladder)trans-100.6130.7-173.9-62.9-27.6000111F46 R48 F77 H78 H80F46-D224 HydrophobicContact CB-CB 4.27Å; F46-D224 HydrophobicContact CD2-CB 4.07Å; F46-D224 HydrophobicContact CG-CB 4.19Å; R48-D224 WeakPolarHBondContact CB-OD1 3.46Å; R48-D224 WeakPolarHBondContact CG-OD1 3.47Å; R48-D224 IonicContact CZ-OD1 2.69Å; R48-D224 IonicContact CZ-OD2 2.74Å; R48-D224 IonicContact NE-OD1 3.12Å; R48-D224 PolarHBondContact NE-OD1 3.12Å; R48-D224 IonicContact NE-OD2 3.1Å; R48-D224 IonicContact NH2-OD1 2.84Å; R48-D224 PolarHBondContact NH2-OD1 3.27Å; R48-D224 IonicContact NH2-OD2 3.36Å; R48-D224 PolarHBondContact NH2-OD2 2.69Å; F77-D224 CarbonylContact C-O 3.52Å; F77-D224 WeakPolarHBondContact CA-O 3.35Å; F77-D224 WeakPolarHBondContact CB-O 3.36Å; H78-D224 HydrophobicContact CB-CB 4.41Å; H78-D224 PolarHBondContact N-O 2.68Å; H78-D224 PolarHBondContact O-N 3.22Å; H80-D224 IonicContact CD2-OD2 2.82Å; H80-D224 IonicContact NE2-OD2 3.15Å; H80-D224 PolarHBondContact NE2-OD2 2.55Å
225I98.6Very high96.2Very high1 Ų129.9 Ų29.91%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-110.6113.6176.2-52.9-62.8000108.6F46 V47 L49 I75 F77 V212 I228F46-I225 CarbonylContact C-O 3.49Å; F46-I225 WeakPolarHBondContact CA-O 3.06Å; V47-I225 HydrophobicContact CB-CB 4.45Å; V47-I225 PolarHBondContact N-O 2.72Å; V47-I225 PolarHBondContact O-N 2.96Å; L49-I225 HydrophobicContact CD1-CD1 4.15Å; L49-I225 HydrophobicContact CD1-CG1 3.87Å; L49-I225 HydrophobicContact CD2-CG1 4.2Å; L49-I225 HydrophobicContact CG-CG1 3.91Å; I75-I225 HydrophobicContact CG2-CD1 4.12Å; I75-I225 HydrophobicContact CG2-CG2 4.33Å; F77-I225 HydrophobicContact CB-CD1 3.91Å; V212-I225 HydrophobicContact CG2-CD1 4.4Å; V212-I225 HydrophobicContact CG2-CG1 4.08Å; I225-I228 HydrophobicContact CG2-CD1 4.19Å; I225-I228 HydrophobicContact CG2-CG1 3.83Å
226Y98.3Very high95.6Very high63 Ų6332 Ų3225%0.24718%0.177CC..EExtended strand (participates in β ladder)trans-80.9-43.3176.3-71.3-67.1000111.9Y29 Q45 F46 L76 H78Y29-Y226 WeakPolarHBondContact CE1-O 3.41Å; Y29-Y226 PolarHBondContact OH-O 3.44Å; Q45-Y226 VanDerWaalsContact O-CD1 3.24Å; Q45-Y226 WeakPolarHBondContact O-CD1 3.23Å; F46-Y226 HydrophobicContact CB-CD1 3.86Å; F46-Y226 HydrophobicContact CB-CE1 3.88Å; F46-Y226 HydrophobicContact CD1-CE1 4.14Å; F46-Y226 HydrophobicContact CG-CE1 4.45Å; L76-Y226 HydrophobicContact CD2-CG 4.42Å; L76-Y226 HydrophobicContact CG-CD2 4.23Å; L76-Y226 HydrophobicContact CG-CG 4.45Å; L76-Y226 PolarHBondContact O-N 3.1Å; H78-Y226 HydrophobicContact CB-CD2 4.43Å; H78-Y226 HydrophobicContact CB-CE2 3.61Å
227S98.4Very high94.8Very high12 Ų1234.5 Ų34.58%0.08419%0.186CC..EExtended strand (participates in β ladder)trans-158.1157.6174.863.20000112.9L25 I75 L76 H229L25-S227 CarbonylContact O-C 3.52Å; L25-S227 VanDerWaalsContact O-CA 3.22Å; L25-S227 WeakPolarHBondContact O-CA 3.35Å; L25-S227 WeakPolarHBondContact O-CB 3.16Å; I75-S227 WeakPolarHBondContact CA-O 3.43Å; L76-S227 WeakPolarHBondContact CB-OG 3.24Å; L76-S227 PolarHBondContact N-O 2.82Å; L76-S227 PolarHBondContact O-N 2.82Å; S227-H229 PolarHBondContact OG-CD2 3.47Å; S227-H229 PolarHBondContact OG-NE2 3Å
228I98.7Very high94.2Very high1 Ų143.2 Ų43.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-127.7112.7167.2-56.3174000106S24 L25 W34 V73 V74 I75 V212 I225S24-I228 CarbonylContact C-O 3.56Å; S24-I228 WeakPolarHBondContact CA-O 3.49Å; S24-I228 WeakPolarHBondContact CB-O 3.27Å; L25-I228 HydrophobicContact CB-CB 3.99Å; L25-I228 HydrophobicContact CB-CD1 4.3Å; L25-I228 HydrophobicContact CB-CG1 4.26Å; L25-I228 HydrophobicContact CD2-CD1 4.1Å; L25-I228 PolarHBondContact N-O 3.2Å; L25-I228 PolarHBondContact O-N 2.85Å; W34-I228 HydrophobicContact CH2-CB 4.3Å; W34-I228 HydrophobicContact CH2-CD1 3.56Å; W34-I228 HydrophobicContact CH2-CG2 4.11Å; W34-I228 HydrophobicContact CZ2-CB 4.41Å; W34-I228 HydrophobicContact CZ2-CD1 4.37Å; W34-I228 HydrophobicContact CZ2-CG2 4.35Å; W34-I228 HydrophobicContact CZ3-CD1 3.78Å; V73-I228 HydrophobicContact CG1-CG2 3.69Å; V74-I228 CarbonylContact O-C 3.41Å; V74-I228 WeakPolarHBondContact O-CA 3.39Å; I75-I228 HydrophobicContact CG1-CG1 4.49Å; I75-I228 HydrophobicContact CG2-CG1 4.37Å; V212-I228 HydrophobicContact CG1-CD1 3.98Å; V212-I228 HydrophobicContact CG2-CD1 3.9Å; I225-I228 HydrophobicContact CG2-CD1 4.19Å; I225-I228 HydrophobicContact CG2-CG1 3.83Å
229H98.5Very high93.5Very high50 Ų5040.6 Ų40.623%0.23120%0.203CC..EExtended strand (participates in β ladder)trans-103.7129.4172.9-65.6-87.2000109.3H19 V26 V73 V74 S227 Y231H19-H229 AromaticContact NE2-ND1 3.37Å; H19-H229 PolarHBondContact NE2-ND1 3.13Å; V26-H229 WeakPolarHBondContact CG1-CE1 3.4Å; V73-H229 CarbonylContact C-O 3.46Å; V73-H229 WeakPolarHBondContact CA-O 3.22Å; V74-H229 HydrophobicContact CB-CB 4.36Å; V74-H229 PolarHBondContact N-O 3.44Å; V74-H229 PolarHBondContact O-N 3.19Å; S227-H229 PolarHBondContact OG-CD2 3.47Å; S227-H229 PolarHBondContact OG-NE2 3Å; H229-Y231 HydrophobicContact CB-CD2 4.43Å; H229-Y231 HydrophobicContact CB-CE2 3.52Å
230T98.7Very high92.8Very high0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-115.4132.1177.6-57.20000109.6I20 N23 S24 L66 E72 V73I20-T230 HydrophobicContact CB-CG2 4.34Å; I20-T230 HydrophobicContact CD1-CG2 4.07Å; I20-T230 PolarHBondContact N-O 3.38Å; N23-T230 HydrophobicContact CB-CG2 3.99Å; N23-T230 WeakPolarHBondContact O-CB 3.33Å; N23-T230 PolarHBondContact O-OG1 3.04Å; S24-T230 PolarHBondContact OG-N 3.46Å; L66-T230 HydrophobicContact CD1-CG2 3.91Å; L66-T230 HydrophobicContact CD2-CG2 4.17Å; E72-T230 CarbonylContact O-C 3.54Å; E72-T230 WeakPolarHBondContact O-CA 3.5Å; V73-T230 HydrophobicContact CG2-CG2 4.11Å
231Y98.5Very high91.5Very high57 Ų5747.9 Ų47.922%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-124.9139.6179.6-57.2-91.2000110.5Y18 H19 W71 E72 V74 H229Y18-Y231 CarbonylContact O-C 3.52Å; Y18-Y231 VanDerWaalsContact O-CA 3.27Å; Y18-Y231 WeakPolarHBondContact O-CA 3.36Å; H19-Y231 HydrophobicContact CB-CD1 3.97Å; H19-Y231 HydrophobicContact CB-CE1 3.88Å; H19-Y231 AromaticContact CD2-CE1 3.58Å; H19-Y231 AromaticContact CD2-CZ 3.79Å; W71-Y231 CarbonylContact C-O 3.48Å; W71-Y231 WeakPolarHBondContact CA-O 3.4Å; W71-Y231 WeakPolarHBondContact CB-O 3.37Å; E72-Y231 PolarHBondContact N-O 3.47Å; E72-Y231 PolarHBondContact O-N 3.36Å; V74-Y231 HydrophobicContact CG2-CD2 4.48Å; V74-Y231 HydrophobicContact CG2-CE2 4.14Å; H229-Y231 HydrophobicContact CB-CD2 4.43Å; H229-Y231 HydrophobicContact CB-CE2 3.52Å
232E97.6Very high90.6Very high92 Ų9256.6 Ų56.643%0.4329%0.286SS..EExtended strand (participates in β ladder)trans-84.7137.2160.7-178.2164.6-159.700108.6S17 Y18 I20 A68S17-E232 CarbonylContact C-O 3.53Å; S17-E232 VanDerWaalsContact CA-O 3.27Å; S17-E232 WeakPolarHBondContact CA-O 3.36Å; Y18-E232 PolarHBondContact N-O 3.26Å; Y18-E232 PolarHBondContact O-N 3.34Å; I20-E232 HydrophobicContact CD1-CB 3.93Å; I20-E232 HydrophobicContact CG1-CB 4.17Å; A68-E232 HydrophobicContact CB-CB 3.99Å; A68-E232 HydrophobicContact CB-CG 3.88Å
233L96.6Very high90Very high11 Ų1157.4 Ų57.46%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-108.1129-174.4-58.7171.9000110.8D70 E72 R175 A177 V235D70-L233 HydrophobicContact CB-CB 3.99Å; D70-L233 HydrophobicContact CB-CD1 4.46Å; D70-L233 PolarHBondContact O-N 3.31Å; E72-L233 HydrophobicContact CB-CD1 4.12Å; E72-L233 HydrophobicContact CB-CD2 3.98Å; E72-L233 HydrophobicContact CB-CG 4.25Å; R175-L233 HydrophobicContact CG-CD1 3.99Å; R175-L233 VanDerWaalsContact CZ-CD1 3.43Å; R175-L233 VanDerWaalsContact NH1-CD2 3.34Å; A177-L233 HydrophobicContact CB-CD1 4.01Å; L233-V235 HydrophobicContact CB-CG1 4.05Å; L233-V235 PolarHBondContact O-N 2.92Å
234D92.4Very high89.6Confident102 Ų10261 Ų6155%0.54532%0.315SS..  trans-8993.7168.7-172.72.1000110.3H15 S16 G236H15-D234 PolarHBondContact ND1-O 3.41Å; S16-D234 WeakPolarHBondContact O-CB 3.45Å; S16-D234 PolarHBondContact O-N 2.9Å; D234-G236 PolarHBondContact OD1-N 3.08Å
235V89.9Confident89.3Confident16 Ų1662.2 Ų62.210%0.09732%0.32CS..  trans-101.69179.2-610000113.9D70 A177 N178 L233 R237D70-V235 HydrophobicContact CB-CG2 4.03Å; D70-V235 VanDerWaalsContact CG-CG2 3.48Å; D70-V235 WeakPolarHBondContact OD2-CG2 3.42Å; A177-V235 HydrophobicContact CB-CG1 4.08Å; N178-V235 VanDerWaalsContact OD1-CG2 3.3Å; N178-V235 WeakPolarHBondContact OD1-CG2 3.48Å; L233-V235 HydrophobicContact CB-CG1 4.05Å; L233-V235 PolarHBondContact O-N 2.92Å; V235-R237 HydrophobicContact CG2-CG 3.91Å
236G85Confident89Confident50 Ų5065 Ų6552%0.51534%0.34SS..  trans63.242.517700000114.3D234D234-G236 PolarHBondContact OD1-N 3.08Å
237R78.6Confident88.7Confident58 Ų5869.5 Ų69.522%0.21936%0.361CS..  trans-55.8142.5176.7-64.2-166.787.1104.8-4.9111.3D70 N179 V235 D239D70-R237 IonicContact OD1-NH1 2.84Å; D70-R237 PolarHBondContact OD1-NH1 3.41Å; D70-R237 WeakPolarHBondContact OD2-CD 3.39Å; D70-R237 IonicContact OD2-NH1 3.57Å; N179-R237 PolarHBondContact OD1-NH2 3.49Å; V235-R237 HydrophobicContact CG2-CG 3.91Å; R237-D239 IonicContact CZ-OD2 3.14Å; R237-D239 IonicContact NE-OD2 2.69Å; R237-D239 PolarHBondContact NE-OD2 2.76Å; R237-D239 IonicContact NH2-OD2 2.73Å; R237-D239 PolarHBondContact NH2-OD2 2.98Å
238K78.8Confident88.5Confident206 Ų20671 Ų7190%0.89637%0.367SS*.  trans-110.616.8175.4-63.6-176.7-179176.30113.1
239D75.5Confident88.3Confident72 Ų7275.6 Ų75.639%0.38539%0.389SS..SBendtrans-70.4163.9-174.5-63.3-12.2000112.3R237 P241 F245R237-D239 IonicContact CZ-OD2 3.14Å; R237-D239 IonicContact NE-OD2 2.69Å; R237-D239 PolarHBondContact NE-OD2 2.76Å; R237-D239 IonicContact NH2-OD2 2.73Å; R237-D239 PolarHBondContact NH2-OD2 2.98Å; D239-P241 WeakPolarHBondContact O-CD 3.25Å; D239-F245 HydrophobicContact CB-CZ 4.09Å
240D78Confident88.3Confident90 Ų9073.4 Ų73.448%0.48138%0.379SS..  trans-55.4120.8176179.57.1000111F242 A243D240-F242 PolarHBondContact O-N 3.39Å; D240-F242 VanDerWaalsContact O-N 3.13Å; D240-F242 WeakPolarHBondContact OD1-CB 3.36Å; D240-F242 WeakPolarHBondContact OD1-CD2 3.48Å; D240-F242 PolarHBondContact OD1-N 2.83Å; D240-A243 HydrophobicContact CB-CB 4.1Å; D240-A243 WeakPolarHBondContact O-CB 3.49Å; D240-A243 PolarHBondContact O-N 3.41Å; D240-A243 VanDerWaalsContact O-N 3.13Å
241P69Low88.1Confident103 Ų10375.1 Ų75.167%0.66939%0.391SS*.THydrogen-bonded Turntrans-61.2-19.3176.424-33.2000113.3D239D239-P241 WeakPolarHBondContact O-CD 3.25Å
242F77.7Confident87.8Confident183 Ų18373.1 Ų73.180%0.80339%0.386SS*.THydrogen-bonded Turntrans-95.1-3.9178.9-56.5-73.1000114.2D240 D244D240-F242 PolarHBondContact O-N 3.39Å; D240-F242 VanDerWaalsContact O-N 3.13Å; D240-F242 WeakPolarHBondContact OD1-CB 3.36Å; D240-F242 WeakPolarHBondContact OD1-CD2 3.48Å; D240-F242 PolarHBondContact OD1-N 2.83Å; F242-D244 PolarHBondContact O-N 3.46Å
243A84.4Confident87.3Confident36 Ų3673.9 Ų73.930%0.29839%0.393SS..  trans-65.9129.8177.900000111.2R69 D240 F245R69-A243 PolarHBondContact NH2-O 3.11Å; D240-A243 HydrophobicContact CB-CB 4.1Å; D240-A243 WeakPolarHBondContact O-CB 3.49Å; D240-A243 PolarHBondContact O-N 3.41Å; D240-A243 VanDerWaalsContact O-N 3.13Å; A243-F245 HydrophobicContact CB-CD2 4.16Å; A243-F245 HydrophobicContact CB-CE2 3.57Å; A243-F245 HydrophobicContact CB-CZ 4.15Å; A243-F245 WeakPolarHBondContact O-CD2 3.42Å; A243-F245 PolarHBondContact O-N 3.02Å
244D89.9Confident86.2Confident77 Ų7779.8 Ų79.841%0.41242%0.42SS..  trans-90.991.7178.6-175.7-0.6000110.6F242 S246 K247F242-D244 PolarHBondContact O-N 3.46Å; D244-S246 PolarHBondContact O-N 3.14Å; D244-S246 WeakPolarHBondContact OD1-CB 3.4Å; D244-S246 PolarHBondContact OD1-N 3.01Å; D244-S246 VanDerWaalsContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 3.14Å; D244-K247 PolarHBondContact O-N 3.09Å; D244-K247 WeakPolarHBondContact OD2-CD 3.36Å; D244-K247 WeakPolarHBondContact OD2-CE 3.5Å; D244-K247 IonicContact OD2-NZ 3.31Å; D244-K247 PolarHBondContact OD2-NZ 3.19Å
245F91.4Very high84.8Confident26 Ų2679.6 Ų79.611%0.11442%0.416CS..G310 helixtrans-71.5-10.1-179-69-100.8000113.4R69 P205 T206 D239 A243 K247 I248R69-F245 VanDerWaalsContact NE-CD2 3.29Å; P205-F245 WeakPolarHBondContact CA-O 3.41Å; T206-F245 HydrophobicContact CG2-CB 3.88Å; T206-F245 PolarHBondContact N-O 2.96Å; T206-F245 VanDerWaalsContact N-O 3.11Å; D239-F245 HydrophobicContact CB-CZ 4.09Å; A243-F245 HydrophobicContact CB-CD2 4.16Å; A243-F245 HydrophobicContact CB-CE2 3.57Å; A243-F245 HydrophobicContact CB-CZ 4.15Å; A243-F245 WeakPolarHBondContact O-CD2 3.42Å; A243-F245 PolarHBondContact O-N 3.02Å; F245-K247 PolarHBondContact O-N 2.76Å; F245-I248 HydrophobicContact CB-CD1 4.04Å; F245-I248 HydrophobicContact CD1-CD1 3.42Å; F245-I248 VanDerWaalsContact CD1-CD1 3.42Å; F245-I248 HydrophobicContact CE1-CD1 4.21Å; F245-I248 HydrophobicContact CG-CD1 4.04Å
246S93.3Very high83.5Confident61 Ų6181.2 Ų81.243%0.42743%0.432SS..G310 helixtrans-71.8-18.3176.674.80000112.9T206 D244T206-S246 PolarHBondContact OG1-N 3.26Å; D244-S246 PolarHBondContact O-N 3.14Å; D244-S246 WeakPolarHBondContact OD1-CB 3.4Å; D244-S246 PolarHBondContact OD1-N 3.01Å; D244-S246 VanDerWaalsContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 3.14Å
247K92.9Very high82.1Confident157 Ų15782.7 Ų82.768%0.68344%0.439SS*.G310 helixtrans-98.25.6-177.1-67.9-178.9-178.6133.50114.6D244 F245D244-K247 PolarHBondContact O-N 3.09Å; D244-K247 WeakPolarHBondContact OD2-CD 3.36Å; D244-K247 WeakPolarHBondContact OD2-CE 3.5Å; D244-K247 IonicContact OD2-NZ 3.31Å; D244-K247 PolarHBondContact OD2-NZ 3.19Å; F245-K247 PolarHBondContact O-N 2.76Å
248I93.4Very high81.2Confident44 Ų4485.1 Ų85.123%0.22646%0.462CS..PPolyproline II helixtrans-68.6133.8178.8-67.5173.9000109.9R203 P205 F245R203-I248 HydrophobicContact CB-CG2 3.8Å; P205-I248 HydrophobicContact CB-CB 4.19Å; P205-I248 VanDerWaalsContact CB-O 3.31Å; P205-I248 WeakPolarHBondContact CB-O 3.19Å; P205-I248 WeakPolarHBondContact CG-O 3.27Å; F245-I248 HydrophobicContact CB-CD1 4.04Å; F245-I248 HydrophobicContact CD1-CD1 3.42Å; F245-I248 VanDerWaalsContact CD1-CD1 3.42Å; F245-I248 HydrophobicContact CE1-CD1 4.21Å; F245-I248 HydrophobicContact CG-CD1 4.04Å
249E95Very high80.6Confident96 Ų9679.2 Ų79.245%0.44943%0.434SS..PPolyproline II helixtrans-77.4124.7170-69.7-63.4143.900109.8R112 S251R112-E249 IonicContact CZ-OE1 3.72Å; R112-E249 IonicContact CZ-OE2 3.44Å; R112-E249 IonicContact NE-OE2 2.81Å; R112-E249 IonicContact NH1-OE1 3.99Å; R112-E249 PolarHBondContact NH1-OE1 3.03Å; R112-E249 IonicContact NH1-OE2 2.58Å; R112-E249 PolarHBondContact NH1-OE2 2.84Å; R112-E249 IonicContact NH2-OE1 3.48Å; R112-E249 PolarHBondContact NH2-OE1 3.14Å; R112-E249 IonicContact NH2-OE2 2.73Å; R112-E249 PolarHBondContact NH2-OE2 3.15Å; E249-S251 PolarHBondContact O-N 3.33Å; E249-S251 VanDerWaalsContact O-N 3.15Å; E249-S251 PolarHBondContact O-OG 3.38Å; E249-S251 VanDerWaalsContact O-OG 3.14Å
250P96.8Very high80.1Confident5 Ų579.7 Ų79.73%0.03245%0.448CS..PPolyproline II helixtrans-53.7120.2173.5-24.733.8000111.1R112 I139 N140 R203 L204 P205 Y208R112-P250 HydrophobicContact CG-CG 3.82Å; I139-P250 HydrophobicContact CG2-CB 3.84Å; N140-P250 WeakPolarHBondContact O-CB 3.1Å; R203-P250 VanDerWaalsContact O-CA 3.26Å; R203-P250 WeakPolarHBondContact O-CA 3.43Å; L204-P250 HydrophobicContact CD2-CB 4.31Å; P205-P250 HydrophobicContact CG-CG 4.19Å; Y208-P250 HydrophobicContact CE2-CG 4.1Å
251S95.3Very high79.7Confident36 Ų3681.4 Ų81.425%0.25245%0.448SS..EExtended strand (participates in β ladder)trans-160164.6-179.749.50000111.7R203 E249R203-S251 PolarHBondContact N-O 2.88Å; R203-S251 PolarHBondContact NE-OG 3.08Å; R203-S251 PolarHBondContact NH2-OG 3.1Å; R203-S251 PolarHBondContact O-N 3.32Å; E249-S251 PolarHBondContact O-N 3.33Å; E249-S251 VanDerWaalsContact O-N 3.15Å; E249-S251 PolarHBondContact O-OG 3.38Å; E249-S251 VanDerWaalsContact O-OG 3.14Å
252A92Very high79.8Confident14 Ų1481.8 Ų81.812%0.11645%0.448CS..EExtended strand (participates in β ladder)trans-133147167.800000110.3I139 L157 G201 V202 Q254I139-A252 HydrophobicContact CD1-CB 3.84Å; L157-A252 HydrophobicContact CD1-CB 3.46Å; L157-A252 VanDerWaalsContact CD1-CB 3.46Å; G201-A252 WeakPolarHBondContact O-CA 3.3Å; V202-A252 HydrophobicContact CG2-CB 4.25Å; A252-Q254 VanDerWaalsContact C-N 3.31Å
253D87.8Confident79.5Confident108 Ų10878.6 Ų78.658%0.57844%0.439SS*.SBendtrans-70.6-30.5178.4-67.2-26.2000112.6G201 R203G201-D253 VanDerWaalsContact CA-OD2 3.26Å; G201-D253 WeakPolarHBondContact CA-OD2 3.42Å; G201-D253 PolarHBondContact O-N 3.49Å; G201-D253 VanDerWaalsContact O-N 3.13Å; R203-D253 IonicContact CZ-OD1 3.31Å; R203-D253 VanDerWaalsContact CZ-OD1 3.25Å; R203-D253 IonicContact NH1-OD1 2.7Å; R203-D253 PolarHBondContact NH1-OD1 3.25Å; R203-D253 IonicContact NH1-OD2 2.91Å; R203-D253 PolarHBondContact NH1-OD2 3.17Å; R203-D253 IonicContact NH2-OD1 3.7Å; R203-D253 PolarHBondContact NH2-OD1 3.08Å
254Q72.4Confident78.6Confident136 Ų13682.3 Ų82.364%0.63645%0.454SS*.SBendtrans-104.376.6176.2-60.1-178.116.400109L157 A252L157-Q254 WeakPolarHBondContact CD1-O 3.26Å; A252-Q254 VanDerWaalsContact C-N 3.31Å
255E63Low77.7Confident97 Ų9785 Ų8545%0.45347%0.473SS..PPolyproline II helixtrans-93.6127.2168.7-166.1167-137.700109.4K144 A257K144-E255 IonicContact NZ-OE1 3.61Å; K144-E255 PolarHBondContact NZ-OE1 3.02Å; K144-E255 IonicContact NZ-OE2 3.49Å; K144-E255 PolarHBondContact NZ-OE2 3.17Å; E255-A257 PolarHBondContact O-N 3.43Å
256A62.7Low76.6Confident51 Ų5188 Ų8842%0.42150%0.495SS..PPolyproline II helixtrans-58.1138.3171.400000109.2
257A56Low75.5Confident81 Ų8188.8 Ų88.867%0.66950%0.499SS*.PPolyproline II helixtrans-54.1133.2179.400000109.9E255 R259E255-A257 PolarHBondContact O-N 3.43Å; A257-R259 PolarHBondContact O-N 2.95Å
258P60.7Low74.8Confident108 Ų10884.6 Ų84.670%0.70149%0.49SS*.PPolyproline II helixtrans-52.5117.7-179.4-26.733.3000110.8
259R64.7Low74.2Confident83 Ų8392.4 Ų92.431%0.31352%0.516SS..PPolyproline II helixtrans-84.9135.7177.6-68.4-173.4-83-171.2-12.6109.1H128 T153 L154 A257H128-R259 PolarHBondContact CD2-NH1 2.95Å; H128-R259 PolarHBondContact CE1-NH1 3.05Å; H128-R259 PolarHBondContact ND1-NH1 2.89Å; H128-R259 PolarHBondContact NE2-NH1 2.81Å; H128-R259 VanDerWaalsContact NE2-NH1 3.13Å; T153-R259 PolarHBondContact O-NE 3.09Å; T153-R259 PolarHBondContact O-NH2 2.91Å; L154-R259 HydrophobicContact CD2-CB 3.48Å; L154-R259 VanDerWaalsContact CD2-CB 3.48Å; A257-R259 PolarHBondContact O-N 2.95Å
260A66.1Low73.8Confident82 Ų8295.2 Ų95.268%0.67853%0.527SS*.PPolyproline II helixtrans-71.2135.2174.200000109.8V262A260-V262 PolarHBondContact O-N 2.8Å; A260-V262 VanDerWaalsContact O-N 3.09Å
261R69.6Low73Confident125 Ų12597.3 Ų97.347%0.47254%0.542SS..  trans-62.6112169.6-176.9176.6177.4136.3-0.1108.3D147 D149 L154 D263D147-R261 IonicContact OD1-CZ 2.81Å; D147-R261 IonicContact OD1-NH1 2.99Å; D147-R261 PolarHBondContact OD1-NH1 2.67Å; D147-R261 IonicContact OD2-CZ 3.82Å; D147-R261 IonicContact OD2-NE 2.95Å; D147-R261 IonicContact OD2-NH1 3.03Å; D147-R261 PolarHBondContact OD2-NH1 3.31Å; D149-R261 IonicContact OD2-CZ 3.97Å; D149-R261 IonicContact OD2-NH2 3.39Å; D149-R261 PolarHBondContact OD2-NH2 2.99Å; L154-R261 HydrophobicContact CD1-CB 4.01Å; R261-D263 IonicContact NE-OD1 3.61Å
262V70.4Confident72.4Confident112 Ų112101.5 Ų101.568%0.67955%0.552SS**  trans-97.7115.3168.8-178.70000106.7A260A260-V262 PolarHBondContact O-N 2.8Å; A260-V262 VanDerWaalsContact O-N 3.09Å
263D71.7Confident72.1Confident116 Ų116104.1 Ų104.162%0.6257%0.567SS**PPolyproline II helixtrans-64.2142.8174.7-67-36.7000109.9R261 T265R261-D263 IonicContact NE-OD1 3.61Å; D263-T265 PolarHBondContact O-N 3.3Å
264D66.4Low72.1Confident113 Ų113102.7 Ų102.760%0.60456%0.558SS**PPolyproline II helixtrans-59.4132.9177-61-44.9000109K150 P266K150-D264 IonicContact NZ-OD1 3.94Å; K150-D264 PolarHBondContact NZ-OD1 3.07Å; K150-D264 IonicContact NZ-OD2 2.67Å; K150-D264 PolarHBondContact NZ-OD2 2.84Å; D264-P266 WeakPolarHBondContact O-CD 3.19Å
265T69.6Low72.7Confident133 Ų13399.5 Ų99.582%0.81655%0.548SS*.PPolyproline II helixtrans-62.2116.2-177.4-56.40000108.2D263D263-T265 PolarHBondContact O-N 3.3Å
266P69.1Low74Confident89 Ų89100.4 Ų100.458%0.57856%0.555SS**PPolyproline II helixtrans-61.3143.1178.923-31.4000108.8D264 S268D264-P266 WeakPolarHBondContact O-CD 3.19Å; P266-S268 PolarHBondContact O-N 3.03Å
267P69.9Low75.4Confident78 Ų78104.3 Ų104.351%0.50656%0.563SS.*PPolyproline II helixtrans-55.1135-179.320.9-31.6000109.7R272P267-R272 HydrophobicContact CB-CG 4.43Å; P267-R272 HydrophobicContact CG-CG 4.23Å; P267-R272 PolarHBondContact O-NE 3.47Å; P267-R272 PolarHBondContact O-NH2 3.26Å; P267-R272 VanDerWaalsContact O-NH2 3.08Å
268S77.9Confident77.1Confident69 Ų69103.2 Ų103.248%0.48355%0.55SS.*PPolyproline II helixtrans-52.7146.5-176.971.90000110P266 F270 S271 R272P266-S268 PolarHBondContact O-N 3.03Å; S268-F270 PolarHBondContact O-N 3.08Å; S268-F270 VanDerWaalsContact O-N 3.11Å; S268-S271 WeakPolarHBondContact O-CB 3.41Å; S268-S271 PolarHBondContact O-N 3.06Å; S268-S271 WeakPolarHBondContact OG-CB 3.48Å; S268-S271 PolarHBondContact OG-N 2.97Å; S268-R272 PolarHBondContact O-N 3.07Å
269R81.9Confident78.6Confident209 Ų209105.5 Ų105.579%0.78955%0.545SS*.Hα-helixtrans-52-36.9175.5-87-163.5-84.3-169.9-6.2111.1R272 V273R269-R272 PolarHBondContact O-N 3.01Å; R269-V273 VanDerWaalsContact O-CG2 3.27Å; R269-V273 WeakPolarHBondContact O-CG2 3.43Å; R269-V273 PolarHBondContact O-N 3.41Å
270F85Confident80Confident154 Ų154107.1 Ų107.168%0.67556%0.559SS**Hα-helixtrans-62.5-45.6176.1-169.5-112.6000112.6S268 R272 V273 I274S268-F270 PolarHBondContact O-N 3.08Å; S268-F270 VanDerWaalsContact O-N 3.11Å; F270-R272 VanDerWaalsContact C-N 3.34Å; F270-R272 PolarHBondContact O-N 2.99Å; F270-V273 PolarHBondContact O-N 3Å; F270-I274 HydrophobicContact CD1-CD1 3.59Å; F270-I274 HydrophobicContact CD1-CG1 4.48Å; F270-I274 HydrophobicContact CE1-CD1 3.18Å; F270-I274 HydrophobicContact CE1-CG1 4.27Å; F270-I274 HydrophobicContact CE2-CD1 4.22Å; F270-I274 HydrophobicContact CG-CD1 4.28Å; F270-I274 HydrophobicContact CZ-CD1 3.54Å; F270-I274 HydrophobicContact CZ-CG1 4.31Å; F270-I274 WeakPolarHBondContact O-CG1 3.41Å; F270-I274 PolarHBondContact O-N 3.05Å
271S81.6Confident81.3Confident49 Ų49109.9 Ų109.934%0.34356%0.557SS.*Hα-helixtrans-60.1-42.4175.1-174.70000112.1S268 V273 I274 T275S268-S271 WeakPolarHBondContact O-CB 3.41Å; S268-S271 PolarHBondContact O-N 3.06Å; S268-S271 WeakPolarHBondContact OG-CB 3.48Å; S268-S271 PolarHBondContact OG-N 2.97Å; S271-V273 VanDerWaalsContact C-N 3.35Å; S271-I274 PolarHBondContact O-N 3.11Å; S271-T275 WeakPolarHBondContact O-CG2 3.27Å; S271-T275 PolarHBondContact O-N 3.2Å; S271-T275 PolarHBondContact O-OG1 3.47Å; S271-T275 VanDerWaalsContact O-OG1 3.07Å
272R80.9Confident82.6Confident125 Ų125107.9 Ų107.947%0.47255%0.554SS.*Hα-helixtrans-64.4-38.5177.3-76.6-177.8-90.9179.6-9.5112.6P267 S268 R269 F270 T275 L276P267-R272 HydrophobicContact CB-CG 4.43Å; P267-R272 HydrophobicContact CG-CG 4.23Å; P267-R272 PolarHBondContact O-NE 3.47Å; P267-R272 PolarHBondContact O-NH2 3.26Å; P267-R272 VanDerWaalsContact O-NH2 3.08Å; S268-R272 PolarHBondContact O-N 3.07Å; R269-R272 PolarHBondContact O-N 3.01Å; F270-R272 VanDerWaalsContact C-N 3.34Å; F270-R272 PolarHBondContact O-N 2.99Å; R272-T275 WeakPolarHBondContact CA-OG1 3.27Å; R272-T275 PolarHBondContact O-OG1 2.92Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.41Å; R272-L276 PolarHBondContact O-N 3.02Å
273V86.8Confident83.7Confident69 Ų69108.1 Ų108.142%0.41855%0.546SS..Hα-helixtrans-68.6-44.7177171.90000110.5R269 F270 S271 T275 L276 F277R269-V273 VanDerWaalsContact O-CG2 3.27Å; R269-V273 WeakPolarHBondContact O-CG2 3.43Å; R269-V273 PolarHBondContact O-N 3.41Å; F270-V273 PolarHBondContact O-N 3Å; S271-V273 VanDerWaalsContact C-N 3.35Å; V273-T275 PolarHBondContact O-N 2.75Å; V273-L276 PolarHBondContact O-N 3.25Å; V273-F277 HydrophobicContact CG1-CD2 3.56Å; V273-F277 HydrophobicContact CG1-CE2 3.42Å; V273-F277 VanDerWaalsContact CG1-CE2 3.42Å; V273-F277 WeakPolarHBondContact O-CD2 3.38Å; V273-F277 PolarHBondContact O-N 3.35Å
274I88.2Confident84.8Confident77 Ų77104.4 Ų104.440%0.39554%0.536SS..Hα-helixtrans-60.8-44.5177.1-72.9175.7000111.7F270 S271 L276 F277 S278F270-I274 HydrophobicContact CD1-CD1 3.59Å; F270-I274 HydrophobicContact CD1-CG1 4.48Å; F270-I274 HydrophobicContact CE1-CD1 3.18Å; F270-I274 HydrophobicContact CE1-CG1 4.27Å; F270-I274 HydrophobicContact CE2-CD1 4.22Å; F270-I274 HydrophobicContact CG-CD1 4.28Å; F270-I274 HydrophobicContact CZ-CD1 3.54Å; F270-I274 HydrophobicContact CZ-CG1 4.31Å; F270-I274 WeakPolarHBondContact O-CG1 3.41Å; F270-I274 PolarHBondContact O-N 3.05Å; S271-I274 PolarHBondContact O-N 3.11Å; I274-L276 VanDerWaalsContact C-N 3.35Å; I274-L276 PolarHBondContact O-N 3.43Å; I274-F277 PolarHBondContact O-N 3.05Å; I274-S278 WeakPolarHBondContact O-CB 3.18Å; I274-S278 PolarHBondContact O-N 3.37Å; I274-S278 PolarHBondContact O-OG 3.01Å
275T85.2Confident86.2Confident70 Ų70104.1 Ų104.143%0.42953%0.533SS..Hα-helixtrans-64.9-39.2-179.849.60000111.8S271 R272 V273 S278 W279S271-T275 WeakPolarHBondContact O-CG2 3.27Å; S271-T275 PolarHBondContact O-N 3.2Å; S271-T275 PolarHBondContact O-OG1 3.47Å; S271-T275 VanDerWaalsContact O-OG1 3.07Å; R272-T275 WeakPolarHBondContact CA-OG1 3.27Å; R272-T275 PolarHBondContact O-OG1 2.92Å; V273-T275 PolarHBondContact O-N 2.75Å; T275-S278 PolarHBondContact O-N 2.88Å; T275-W279 PolarHBondContact O-N 3.34Å
276L90.5Very high87.4Confident115 Ų115103.1 Ų103.160%0.60252%0.522SS*.Hα-helixtrans-61.9-47.4173.5-72.3170.5000112.3R272 V273 I274 S278 W279 L280R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.41Å; R272-L276 PolarHBondContact O-N 3.02Å; V273-L276 PolarHBondContact O-N 3.25Å; I274-L276 VanDerWaalsContact C-N 3.35Å; I274-L276 PolarHBondContact O-N 3.43Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.35Å; L276-W279 PolarHBondContact O-N 3.26Å; L276-L280 WeakPolarHBondContact O-CG 3.11Å; L276-L280 PolarHBondContact O-N 3.18Å
277F92Very high88.6Confident134 Ų134102.6 Ų102.659%0.58852%0.52SS*.Hα-helixtrans-64.3-35.6177.2-81-67.1000112.6V273 I274 L280 F281V273-F277 HydrophobicContact CG1-CD2 3.56Å; V273-F277 HydrophobicContact CG1-CE2 3.42Å; V273-F277 VanDerWaalsContact CG1-CE2 3.42Å; V273-F277 WeakPolarHBondContact O-CD2 3.38Å; V273-F277 PolarHBondContact O-N 3.35Å; I274-F277 PolarHBondContact O-N 3.05Å; F277-L280 HydrophobicContact CD1-CD1 4.5Å; F277-L280 PolarHBondContact O-N 2.92Å; F277-F281 WeakPolarHBondContact O-CB 3.31Å; F277-F281 PolarHBondContact O-N 3.37Å
278S90.1Very high89.7Confident57 Ų57100.5 Ų100.540%0.39951%0.513SS..Hα-helixtrans-63.4-44.3176.1-58.10000111.3I274 T275 L276 F281 I282I274-S278 WeakPolarHBondContact O-CB 3.18Å; I274-S278 PolarHBondContact O-N 3.37Å; I274-S278 PolarHBondContact O-OG 3.01Å; T275-S278 PolarHBondContact O-N 2.88Å; L276-S278 VanDerWaalsContact C-N 3.3Å; L276-S278 PolarHBondContact O-N 3.35Å; S278-F281 PolarHBondContact O-N 3.37Å; S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.38Å; S278-I282 PolarHBondContact O-N 3.32Å
279W92.7Very high90.4Very high157 Ų15799.4 Ų99.460%0.59551%0.513SS*.Hα-helixtrans-62.7-45.8174.2-89104.7000112.4T275 L276 F281 I282 F283T275-W279 PolarHBondContact O-N 3.34Å; L276-W279 PolarHBondContact O-N 3.26Å; W279-F281 VanDerWaalsContact C-N 3.29Å; W279-F281 PolarHBondContact O-N 2.92Å; W279-I282 PolarHBondContact O-N 3.43Å; W279-F283 HydrophobicContact CD2-CE2 4.27Å; W279-F283 AromaticContact CE3-CD2 3.99Å; W279-F283 HydrophobicContact CE3-CD2 3.99Å; W279-F283 AromaticContact CE3-CE2 3.3Å; W279-F283 HydrophobicContact CE3-CE2 3.3Å; W279-F283 AromaticContact CE3-CZ 3.81Å; W279-F283 HydrophobicContact CE3-CZ 3.81Å; W279-F283 AromaticContact CZ3-CE2 3.82Å; W279-F283 HydrophobicContact CZ3-CE2 3.82Å; W279-F283 AromaticContact CZ3-CZ 3.82Å; W279-F283 HydrophobicContact CZ3-CZ 3.82Å; W279-F283 WeakPolarHBondContact O-CD2 3.35Å; W279-F283 PolarHBondContact O-N 2.86Å
280L94.6Very high91Very high116 Ų11691.7 Ų91.761%0.60750%0.498SS*.Hα-helixtrans-60-39.6177-70.7173.7000112.1L276 F277 G284L276-L280 WeakPolarHBondContact O-CG 3.11Å; L276-L280 PolarHBondContact O-N 3.18Å; F277-L280 HydrophobicContact CD1-CD1 4.5Å; F277-L280 PolarHBondContact O-N 2.92Å; L280-G284 PolarHBondContact O-N 2.97Å
281F94.1Very high91.4Very high141 Ų14190.7 Ų90.762%0.61849%0.491SS*.Hα-helixtrans-65.6-45176.6-175.8-103.7000112.1F277 S278 W279 G284 L285F277-F281 WeakPolarHBondContact O-CB 3.31Å; F277-F281 PolarHBondContact O-N 3.37Å; S278-F281 PolarHBondContact O-N 3.37Å; W279-F281 VanDerWaalsContact C-N 3.29Å; W279-F281 PolarHBondContact O-N 2.92Å; F281-G284 PolarHBondContact O-N 3.38Å; F281-L285 HydrophobicContact CD1-CD1 4.01Å; F281-L285 HydrophobicContact CD1-CG 4.45Å; F281-L285 HydrophobicContact CE1-CD1 3.49Å; F281-L285 VanDerWaalsContact CE1-CD1 3.49Å; F281-L285 HydrophobicContact CE1-CG 4.1Å; F281-L285 HydrophobicContact CZ-CD1 3.97Å; F281-L285 HydrophobicContact CZ-CD2 4.37Å; F281-L285 HydrophobicContact CZ-CG 4.23Å; F281-L285 PolarHBondContact O-N 3.01Å
282I95.2Very high92Very high82 Ų8294.3 Ų94.342%0.42150%0.504SS..Hα-helixtrans-60.7-46.7176-69166.7000110.7S278 W279 G284 L285 I286S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.38Å; S278-I282 PolarHBondContact O-N 3.32Å; W279-I282 PolarHBondContact O-N 3.43Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 3.39Å; I282-L285 PolarHBondContact O-N 2.94Å; I282-I286 HydrophobicContact CG2-CD1 3.84Å; I282-I286 WeakPolarHBondContact O-CG1 3.37Å; I282-I286 PolarHBondContact O-N 2.79Å
283F94.4Very high92.6Very high118 Ų11890.3 Ų90.352%0.51850%0.501SS..Hα-helixtrans-62.3-36.5175.5-79-62.8000112.4W279 I286 S287W279-F283 HydrophobicContact CD2-CE2 4.27Å; W279-F283 AromaticContact CE3-CD2 3.99Å; W279-F283 HydrophobicContact CE3-CD2 3.99Å; W279-F283 AromaticContact CE3-CE2 3.3Å; W279-F283 HydrophobicContact CE3-CE2 3.3Å; W279-F283 AromaticContact CE3-CZ 3.81Å; W279-F283 HydrophobicContact CE3-CZ 3.81Å; W279-F283 AromaticContact CZ3-CE2 3.82Å; W279-F283 HydrophobicContact CZ3-CE2 3.82Å; W279-F283 AromaticContact CZ3-CZ 3.82Å; W279-F283 HydrophobicContact CZ3-CZ 3.82Å; W279-F283 WeakPolarHBondContact O-CD2 3.35Å; W279-F283 PolarHBondContact O-N 2.86Å; F283-I286 PolarHBondContact O-N 2.92Å; F283-S287 WeakPolarHBondContact O-CB 3.39Å; F283-S287 PolarHBondContact O-N 2.99Å; F283-S287 PolarHBondContact O-OG 3.47Å
284G94.7Very high92.9Very high38 Ų3893.2 Ų93.239%0.39251%0.506SS..Hα-helixtrans-61.5-43.9172.800000112.9L280 F281 I282 S287 G288L280-G284 PolarHBondContact O-N 2.97Å; F281-G284 PolarHBondContact O-N 3.38Å; I282-G284 VanDerWaalsContact C-N 3.29Å; I282-G284 PolarHBondContact O-N 3.39Å; G284-S287 WeakPolarHBondContact CA-OG 3.35Å; G284-S287 PolarHBondContact O-OG 2.89Å; G284-S287 VanDerWaalsContact O-OG 3.06Å; G284-G288 PolarHBondContact O-N 2.83Å
285L95.2Very high93.2Very high107 Ų10795.2 Ų95.256%0.5651%0.511SS*.Hα-helixtrans-66.4-42.6176.4-72.1179.7000112.4F281 I282 G289F281-L285 HydrophobicContact CD1-CD1 4.01Å; F281-L285 HydrophobicContact CD1-CG 4.45Å; F281-L285 HydrophobicContact CE1-CD1 3.49Å; F281-L285 VanDerWaalsContact CE1-CD1 3.49Å; F281-L285 HydrophobicContact CE1-CG 4.1Å; F281-L285 HydrophobicContact CZ-CD1 3.97Å; F281-L285 HydrophobicContact CZ-CD2 4.37Å; F281-L285 HydrophobicContact CZ-CG 4.23Å; F281-L285 PolarHBondContact O-N 3.01Å; I282-L285 PolarHBondContact O-N 2.94Å; L285-G289 PolarHBondContact O-N 2.87Å
286I94.9Very high93.5Very high112 Ų11299.8 Ų99.857%0.57452%0.522SS*.Hα-helixtrans-63.7-47.6178.3-67.7169.1000110.5I282 F283 G290I282-I286 HydrophobicContact CG2-CD1 3.84Å; I282-I286 WeakPolarHBondContact O-CG1 3.37Å; I282-I286 PolarHBondContact O-N 2.79Å; F283-I286 PolarHBondContact O-N 2.92Å; I286-G290 PolarHBondContact O-N 3.2Å
287S94.1Very high93.5Very high78 Ų78100.7 Ų100.755%0.54552%0.518SS..Hα-helixtrans-67.8-42.9179.7570000112.5F283 G284 G290 Y291F283-S287 WeakPolarHBondContact O-CB 3.39Å; F283-S287 PolarHBondContact O-N 2.99Å; F283-S287 PolarHBondContact O-OG 3.47Å; G284-S287 WeakPolarHBondContact CA-OG 3.35Å; G284-S287 PolarHBondContact O-OG 2.89Å; G284-S287 VanDerWaalsContact O-OG 3.06Å; S287-G290 PolarHBondContact O-N 3.06Å; S287-Y291 WeakPolarHBondContact O-CB 3.49Å; S287-Y291 PolarHBondContact O-N 3.34Å
288G93.9Very high93.4Very high34 Ų3498.5 Ų98.535%0.35151%0.508SS..Hα-helixtrans-63.4-45.1175.300000112.6G284 Y291 M292G284-G288 PolarHBondContact O-N 2.83Å; G288-Y291 PolarHBondContact O-N 2.93Å; G288-M292 WeakPolarHBondContact O-CB 3.47Å; G288-M292 WeakPolarHBondContact O-CG 3.49Å; G288-M292 PolarHBondContact O-N 3.37Å
289G93.2Very high93.4Very high46 Ų46102.3 Ų102.347%0.47452%0.518SS..Hα-helixtrans-62.1-45.1174.600000112.2L285 Y291 M292 G293L285-G289 PolarHBondContact O-N 2.87Å; G289-Y291 PolarHBondContact O-N 2.86Å; G289-M292 PolarHBondContact O-N 3.48Å; G289-G293 PolarHBondContact O-N 3.43Å
290G93Very high93.1Very high47 Ų47102.2 Ų102.249%0.48552%0.517SS..Hα-helixtrans-60.7-43.2174.800000112.8I286 S287 G293 Y294I286-G290 PolarHBondContact O-N 3.2Å; S287-G290 PolarHBondContact O-N 3.06Å; G290-G293 PolarHBondContact O-N 2.84Å; G290-Y294 WeakPolarHBondContact O-CB 3.38Å; G290-Y294 PolarHBondContact O-N 2.86Å
291Y94.8Very high92.6Very high133 Ų133101 Ų10152%0.52251%0.508SS..Hα-helixtrans-63.8-44.9175.8176.3-99.6000112.2S287 G288 G289 Y294 K295S287-Y291 WeakPolarHBondContact O-CB 3.49Å; S287-Y291 PolarHBondContact O-N 3.34Å; G288-Y291 PolarHBondContact O-N 2.93Å; G289-Y291 PolarHBondContact O-N 2.86Å; Y291-Y294 PolarHBondContact O-N 3.43Å; Y291-K295 HydrophobicContact CE1-CD 3.78Å; Y291-K295 HydrophobicContact CE1-CG 4.48Å; Y291-K295 WeakPolarHBondContact O-CB 3.39Å; Y291-K295 PolarHBondContact O-N 3.3Å; Y291-K295 VanDerWaalsContact OH-CE 3.28Å; Y291-K295 WeakPolarHBondContact OH-CE 3.36Å; Y291-K295 PolarHBondContact OH-NZ 2.93Å
292M93.4Very high92.1Very high125 Ų125101.9 Ų101.962%0.61651%0.508SS*.Hα-helixtrans-64.6-41.4176.9-74.4-62.4-7200111.7G288 G289 K295 Y296G288-M292 WeakPolarHBondContact O-CB 3.47Å; G288-M292 WeakPolarHBondContact O-CG 3.49Å; G288-M292 PolarHBondContact O-N 3.37Å; G289-M292 PolarHBondContact O-N 3.48Å; M292-K295 PolarHBondContact O-N 2.87Å; M292-Y296 WeakPolarHBondContact O-CB 3.42Å; M292-Y296 PolarHBondContact O-N 3.19Å
293G92.7Very high91.4Very high40 Ų40103 Ų10341%0.41251%0.511SS..Hα-helixtrans-59.9-46.3172.600000112.4G289 G290 K295 Y296 Y297G289-G293 PolarHBondContact O-N 3.43Å; G290-G293 PolarHBondContact O-N 2.84Å; G293-K295 PolarHBondContact O-N 3.35Å; G293-Y296 PolarHBondContact O-N 2.9Å; G293-Y297 WeakPolarHBondContact O-CB 3.46Å; G293-Y297 PolarHBondContact O-N 3.49Å
294Y94Very high90.6Very high131 Ų131103.3 Ų103.351%0.51452%0.516SS..Hα-helixtrans-60.3-45175.1174.2-97.9000112.1G290 Y291 Y296 Y297 K298G290-Y294 WeakPolarHBondContact O-CB 3.38Å; G290-Y294 PolarHBondContact O-N 2.86Å; Y291-Y294 PolarHBondContact O-N 3.43Å; Y294-Y296 PolarHBondContact O-N 3.41Å; Y294-Y297 PolarHBondContact O-N 2.93Å; Y294-K298 HydrophobicContact CE1-CD 4.15Å; Y294-K298 WeakPolarHBondContact O-CB 3.43Å; Y294-K298 PolarHBondContact O-N 3.34Å
295K94.1Very high89.6Confident119 Ų119109.3 Ų109.352%0.51753%0.531SS..Hα-helixtrans-60.7-44.5176.7-113.1-174.3166.4172.20111.7Y291 M292 G293 K299Y291-K295 HydrophobicContact CE1-CD 3.78Å; Y291-K295 HydrophobicContact CE1-CG 4.48Å; Y291-K295 WeakPolarHBondContact O-CB 3.39Å; Y291-K295 PolarHBondContact O-N 3.3Å; Y291-K295 VanDerWaalsContact OH-CE 3.28Å; Y291-K295 WeakPolarHBondContact OH-CE 3.36Å; Y291-K295 PolarHBondContact OH-NZ 2.93Å; M292-K295 PolarHBondContact O-N 2.87Å; G293-K295 PolarHBondContact O-N 3.35Å; K295-K299 WeakPolarHBondContact O-CB 3.37Å; K295-K299 PolarHBondContact O-N 3.38Å
296Y92Very high88.3Confident165 Ų165114.2 Ų114.265%0.64754%0.542SS*.Hα-helixtrans-63.1-46176.8-176.7-94.7000111.6M292 G293 Y294 K298 K299 R300M292-Y296 WeakPolarHBondContact O-CB 3.42Å; M292-Y296 PolarHBondContact O-N 3.19Å; G293-Y296 PolarHBondContact O-N 2.9Å; Y294-Y296 PolarHBondContact O-N 3.41Å; Y296-K298 PolarHBondContact O-N 3.02Å; Y296-K299 PolarHBondContact O-N 2.97Å; Y296-R300 PolarHBondContact O-N 3.25Å
297Y90.3Very high86.6Confident134 Ų134117.6 Ų117.653%0.52555%0.553SS.*Hα-helixtrans-58.3-47.7176.2177.4-101.5000112.5G293 Y294 K299 R300 Q301G293-Y297 WeakPolarHBondContact O-CB 3.46Å; G293-Y297 PolarHBondContact O-N 3.49Å; Y294-Y297 PolarHBondContact O-N 2.93Å; Y297-K299 VanDerWaalsContact C-N 3.32Å; Y297-K299 PolarHBondContact O-N 3.47Å; Y297-R300 PolarHBondContact O-N 3.36Å; Y297-Q301 HydrophobicContact CE1-CG 4.08Å; Y297-Q301 HydrophobicContact CE2-CG 4.44Å; Y297-Q301 PolarHBondContact O-N 2.92Å; Y297-Q301 PolarHBondContact OH-NE2 3.48Å
298K90.8Very high84.6Confident89 Ų89127.1 Ų127.139%0.38758%0.579SS.*Hα-helixtrans-63.7-36.8178.4-168.3172.9-173.3167.90112.1Y294 Y296 R302Y294-K298 HydrophobicContact CE1-CD 4.15Å; Y294-K298 WeakPolarHBondContact O-CB 3.43Å; Y294-K298 PolarHBondContact O-N 3.34Å; Y296-K298 PolarHBondContact O-N 3.02Å; K298-R302 WeakPolarHBondContact O-CG 3.5Å; K298-R302 PolarHBondContact O-N 3.16Å; K298-R302 VanDerWaalsContact O-N 3.16Å
299K89.2Confident84.1Confident137 Ų137131.8 Ų131.860%0.59659%0.59SS**Hα-helixtrans-63.8-44.7173.6-173.4178.8179-178.20111.2K295 Y296 Y297 R302 Q303K295-K299 WeakPolarHBondContact O-CB 3.37Å; K295-K299 PolarHBondContact O-N 3.38Å; Y296-K299 PolarHBondContact O-N 2.97Å; Y297-K299 VanDerWaalsContact C-N 3.32Å; Y297-K299 PolarHBondContact O-N 3.47Å; K299-R302 PolarHBondContact O-N 3.27Å; K299-Q303 PolarHBondContact O-N 3.15Å; K299-Q303 VanDerWaalsContact O-N 3.15Å
300R86.6Confident83.6Confident154 Ų154136.3 Ų136.358%0.58160%0.596SS**Hα-helixtrans-62.8-44177.3-170.8175.3179.4173.5-0.2112.2Y296 Y297 R302 Q303 M304Y296-R300 PolarHBondContact O-N 3.25Å; Y297-R300 PolarHBondContact O-N 3.36Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.05Å; R300-Q303 PolarHBondContact O-N 3.16Å; R300-Q303 VanDerWaalsContact O-N 3.16Å; R300-M304 WeakPolarHBondContact O-CG 3.32Å; R300-M304 PolarHBondContact O-N 3.34Å
301Q84.1Confident83.1Confident90 Ų90141.3 Ų141.342%0.42160%0.603SS.*Hα-helixtrans-60.6-38.9175-80.8-148.6-23.200113Y297 Q303 M304 K305Y297-Q301 HydrophobicContact CE1-CG 4.08Å; Y297-Q301 HydrophobicContact CE2-CG 4.44Å; Y297-Q301 PolarHBondContact O-N 2.92Å; Y297-Q301 PolarHBondContact OH-NE2 3.48Å; Q301-Q303 VanDerWaalsContact C-N 3.31Å; Q301-Q303 PolarHBondContact O-N 3.25Å; Q301-M304 PolarHBondContact O-N 3.09Å; Q301-K305 WeakPolarHBondContact O-CG 3.28Å; Q301-K305 PolarHBondContact O-N 3.16Å; Q301-K305 VanDerWaalsContact O-N 3.09Å
302R83.5Confident82.4Confident161 Ų161141.8 Ų141.861%0.60861%0.607SS**Hα-helixtrans-65-33.6175.9-73.7173.2175.9178.7-3.5112.7K298 K299 R300K298-R302 WeakPolarHBondContact O-CG 3.5Å; K298-R302 PolarHBondContact O-N 3.16Å; K298-R302 VanDerWaalsContact O-N 3.16Å; K299-R302 PolarHBondContact O-N 3.27Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.05Å
303Q80.9Confident81.7Confident106 Ų106142.8 Ų142.850%0.49561%0.607SS.*Hα-helixtrans-70.6-42.1174.7-72.4175.8-37.700111.4K299 R300 Q301 K305 R306 F307K299-Q303 PolarHBondContact O-N 3.15Å; K299-Q303 VanDerWaalsContact O-N 3.15Å; R300-Q303 PolarHBondContact O-N 3.16Å; R300-Q303 VanDerWaalsContact O-N 3.16Å; Q301-Q303 VanDerWaalsContact C-N 3.31Å; Q301-Q303 PolarHBondContact O-N 3.25Å; Q303-K305 VanDerWaalsContact C-N 3.32Å; Q303-K305 PolarHBondContact O-N 3.46Å; Q303-R306 PolarHBondContact O-N 3.4Å; Q303-R306 VanDerWaalsContact O-N 3.16Å; Q303-F307 VanDerWaalsContact O-CD2 3.32Å; Q303-F307 WeakPolarHBondContact O-CD2 3.49Å
304M76.8Confident81Confident124 Ų124149.7 Ų149.761%0.61162%0.62SS**Hα-helixtrans-61-38.2176-68.8-68.6-65.100112.7R300 Q301 R306 F307R300-M304 WeakPolarHBondContact O-CG 3.32Å; R300-M304 PolarHBondContact O-N 3.34Å; Q301-M304 PolarHBondContact O-N 3.09Å; M304-R306 PolarHBondContact O-N 3.35Å; M304-F307 PolarHBondContact O-N 3.26Å
305K74.2Confident80.1Confident163 Ų163151 Ų15171%0.70963%0.628SS**THydrogen-bonded Turntrans-68.8-11.6177.4-72.5-172.9-180-1690114.8Q301 Q303Q301-K305 WeakPolarHBondContact O-CG 3.28Å; Q301-K305 PolarHBondContact O-N 3.16Å; Q301-K305 VanDerWaalsContact O-N 3.09Å; Q303-K305 VanDerWaalsContact C-N 3.32Å; Q303-K305 PolarHBondContact O-N 3.46Å
306R67.1Low79Confident211 Ų211153.5 Ų153.580%0.79664%0.636SS**THydrogen-bonded Turntrans-88.9-3.5177.4-72.6-178.6178.5-176.2-2.8113.6Q303 M304Q303-R306 PolarHBondContact O-N 3.4Å; Q303-R306 VanDerWaalsContact O-N 3.16Å; M304-R306 PolarHBondContact O-N 3.35Å
307F59.5Low77.9Confident182 Ų182152.5 Ų152.580%0.79864%0.635SS**  trans-106.717.2179.6-69.3-71.5000113.5Q303 M304Q303-F307 VanDerWaalsContact O-CD2 3.32Å; Q303-F307 WeakPolarHBondContact O-CD2 3.49Å; M304-F307 PolarHBondContact O-N 3.26Å
308Y52.1Low76.8Confident279 Ų279154.2 Ų154.2100%1.09465%0.645SS**  trans-119.20162.2-80.9-86.3000108.1

Retrieved 308 of 308 residues in 83.9 ms (Link to these results)

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