G4VS68_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession G4VS68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38Very low32.6Very low97 Ų97107.6 Ų107.648%0.47853%0.527SS..  0122.50172.8166119.700108.8I3 L25M1-I3 HydrophobicContact CE-CB 4.45Å; M1-I3 HydrophobicContact CE-CG2 3.57Å; M1-I3 HydrophobicContact CG-CG1 4.44Å; M1-I3 VanDerWaalsContact O-CG1 3.31Å; M1-I3 WeakPolarHBondContact O-CG1 3.02Å; M1-L25 HydrophobicContact CE-CD2 3.83Å
2L37.3Very low32.9Very low39 Ų39105.6 Ų105.620%0.20452%0.52CS..  trans-77.6159.4159.7-60.9141000108T24 F59 M131L2-T24 CarbonylContact C-O 2.96Å; L2-T24 WeakPolarHBondContact CB-OG1 3.42Å; L2-T24 CarbonylContact O-C 3.54Å; L2-F59 HydrophobicContact CD1-CD2 4.34Å; L2-F59 HydrophobicContact CD1-CE2 3.57Å; L2-F59 HydrophobicContact CD1-CZ 3.98Å; L2-F59 HydrophobicContact CD2-CZ 4.09Å; L2-M131 HydrophobicContact CD2-CE 4.48Å
3I29.7Very low33.6Very low62 Ų62110.2 Ų110.232%0.31855%0.548SS..  trans-145.823.4-151.4-22171.1000121.9M1 K23 T24 L25M1-I3 HydrophobicContact CE-CB 4.45Å; M1-I3 HydrophobicContact CE-CG2 3.57Å; M1-I3 HydrophobicContact CG-CG1 4.44Å; M1-I3 VanDerWaalsContact O-CG1 3.31Å; M1-I3 WeakPolarHBondContact O-CG1 3.02Å; I3-K23 VanDerWaalsContact C-CB 3.41Å; I3-K23 HydrophobicContact CB-CB 4.04Å; I3-K23 HydrophobicContact CB-CG 4.48Å; I3-K23 VanDerWaalsContact O-CE 3.26Å; I3-K23 WeakPolarHBondContact O-CE 3.49Å; I3-T24 PolarHBondContact N-O 3.17Å; I3-L25 HydrophobicContact CG2-CD2 4.04Å
4A32.6Very low34.5Very low37 Ų37113.1 Ų113.131%0.30657%0.567SS.*  trans-177.5-130.617300000114.3N22 K23 T24 L25A4-N22 CarbonylContact C-O 3.59Å; A4-N22 VanDerWaalsContact CB-O 3.26Å; A4-N22 WeakPolarHBondContact CB-O 3.35Å; A4-K23 CarbonylContact C-O 3.5Å; A4-K23 HydrophobicContact CB-CB 4.12Å; A4-K23 HydrophobicContact CB-CD 4.32Å; A4-K23 VanDerWaalsContact N-CB 3.29Å; A4-K23 VanDerWaalsContact O-O 3.08Å; A4-T24 WeakPolarHBondContact O-CA 3.31Å; A4-L25 PolarHBondContact O-N 3.3Å
5V32.7Very low35.8Very low66 Ų66110.5 Ų110.540%0.456%0.559SS.*  trans160.5157.5148.5770000111.7L21 N22 K23 W46V5-L21 HydrophobicContact CG2-CD2 4.17Å; V5-N22 VanDerWaalsContact CA-O 3.25Å; V5-N22 WeakPolarHBondContact CA-O 3.44Å; V5-N22 PolarHBondContact N-O 2.92Å; V5-K23 WeakPolarHBondContact CA-O 3.34Å; V5-K23 VanDerWaalsContact CB-O 3.29Å; V5-K23 WeakPolarHBondContact CB-O 3.44Å; V5-K23 PolarHBondContact N-O 3.11Å; V5-K23 VanDerWaalsContact N-O 3.16Å; V5-W46 HydrophobicContact CB-CH2 4.18Å; V5-W46 HydrophobicContact CB-CZ2 4.49Å; V5-W46 HydrophobicContact CG1-CH2 4.27Å; V5-W46 HydrophobicContact CG1-CZ2 4.46Å; V5-W46 HydrophobicContact CG2-CH2 3.86Å
6Q28Very low36.9Very low151 Ų151106.7 Ų106.771%0.70655%0.546SS*.  trans-155.3136.9162.6-164169-0.300114.4
7Q34.5Very low38.3Very low103 Ų103102.9 Ų102.948%0.48153%0.531SS..  trans-108.1135.1-170.6-177.8-178.44.500113.7M9Q7-M9 HydrophobicContact CG-CG 4.43Å
8M28.4Very low39.6Very low160 Ų16099.2 Ų99.279%0.78851%0.514SS*.  trans-146.9120.3155.8-92.8-169.817100108.8
9M32.2Very low40.7Very low134 Ų13495.4 Ų95.466%0.6649%0.494SS*.  trans-102.6107.5174.5-62.4176.486.900108.6Q7Q7-M9 HydrophobicContact CG-CG 4.43Å
10K30.5Very low41.4Very low148 Ų14896 Ų9664%0.64349%0.49SS*.  trans-99126.4170-170.2173.1-174.5-76.90108.7D12K10-D12 IonicContact NZ-OD1 3.18Å; K10-D12 PolarHBondContact NZ-OD1 3.46Å; K10-D12 IonicContact NZ-OD2 2.77Å; K10-D12 PolarHBondContact NZ-OD2 3.3Å
11K34.6Very low42Very low187 Ų18791.6 Ų91.681%0.81347%0.468SS*.  trans-101.7101.5179178.6-173.4177.8-176.20108.5
12D36.4Very low42.7Very low83 Ų8389.9 Ų89.944%0.44446%0.461SS..  trans-102159.2167.1-69.2-36.1000110K10K10-D12 IonicContact NZ-OD1 3.18Å; K10-D12 PolarHBondContact NZ-OD1 3.46Å; K10-D12 IonicContact NZ-OD2 2.77Å; K10-D12 PolarHBondContact NZ-OD2 3.3Å
13N41.6Very low43.4Very low166 Ų16691 Ų9189%0.88846%0.464SS*.SBendtrans-70.1147177.9-83.6-19.7000110.7
14N46.9Very low44.6Very low150 Ų15088.1 Ų88.180%0.80245%0.449SS*.SBendtrans61.8112.7-145.1-71.87.7000111.4S16N14-S16 PolarHBondContact O-N 3.39Å
15T53.8Low45.7Very low75 Ų7590.4 Ų90.446%0.4646%0.456SS..  trans-71.959.1-164.333.40000114.6N119T15-N119 PolarHBondContact OG1-O 3.17Å
16S53.5Low46.8Very low49 Ų4994.8 Ų94.834%0.34347%0.472SS..EExtended strand (participates in β ladder)trans-78.7127.8164.5610000109.7N14 M121N14-S16 PolarHBondContact O-N 3.39Å; S16-M121 WeakPolarHBondContact CA-O 3.4Å
17S60.7Low48.5Very low43 Ų4391.7 Ų91.730%0.30146%0.46SS..EExtended strand (participates in β ladder)trans-117122.9173.6-690000109.4M121 I122 N123S17-M121 PolarHBondContact N-O 3.41Å; S17-I122 CarbonylContact O-C 3.53Å; S17-I122 WeakPolarHBondContact O-CA 3.28Å; S17-N123 PolarHBondContact O-N 3.43Å
18T61.3Low50.5Low36 Ų3691.4 Ų91.422%0.22146%0.458CS..EExtended strand (participates in β ladder)trans-102126.2-179.1-59.70000111.5Y20 N123 Y125T18-Y20 HydrophobicContact CG2-CD2 4.06Å; T18-Y20 HydrophobicContact CG2-CE1 4.17Å; T18-Y20 HydrophobicContact CG2-CE2 3.45Å; T18-Y20 VanDerWaalsContact CG2-CE2 3.45Å; T18-N123 CarbonylContact C-O 2.96Å; T18-N123 WeakPolarHBondContact CA-O 3.31Å; T18-N123 HydrophobicContact CG2-CB 4.45Å; T18-Y125 HydrophobicContact CG2-CD2 3.71Å; T18-Y125 HydrophobicContact CG2-CE2 3.57Å
19I60.9Low53Low26 Ų2687.1 Ų87.113%0.13344%0.437CS..EExtended strand (participates in β ladder)trans-116.1118.4178.3-57.3177.2000108.8L21 W55 V75 I122 N123 I124 Y125I19-L21 HydrophobicContact CG2-CD2 4.31Å; I19-L21 HydrophobicContact CG2-CG 4.23Å; I19-W55 HydrophobicContact CG2-CH2 3.86Å; I19-W55 HydrophobicContact CG2-CZ2 4.34Å; I19-W55 HydrophobicContact CG2-CZ3 4.41Å; I19-V75 HydrophobicContact CD1-CG1 4Å; I19-V75 HydrophobicContact CD1-CG2 4.2Å; I19-I122 HydrophobicContact CD1-CG2 3.77Å; I19-I122 HydrophobicContact CG1-CG2 4.24Å; I19-N123 PolarHBondContact N-O 2.7Å; I19-I124 HydrophobicContact CB-CG1 4.24Å; I19-I124 HydrophobicContact CG2-CG1 4.36Å; I19-I124 WeakPolarHBondContact O-CA 3.34Å; I19-Y125 PolarHBondContact O-N 3.34Å
20Y53.9Low55.5Low107 Ų10785.5 Ų85.542%0.4243%0.43SS..EExtended strand (participates in β ladder)trans-96.1107.6174.1-67.1-76.5000110.6T18 N22 Y125T18-Y20 HydrophobicContact CG2-CD2 4.06Å; T18-Y20 HydrophobicContact CG2-CE1 4.17Å; T18-Y20 HydrophobicContact CG2-CE2 3.45Å; T18-Y20 VanDerWaalsContact CG2-CE2 3.45Å; Y20-N22 PolarHBondContact O-N 3.42Å; Y20-Y125 AromaticContact CD1-CD2 3.93Å; Y20-Y125 HydrophobicContact CD1-CD2 3.93Å; Y20-Y125 HydrophobicContact CD1-CG 4.19Å; Y20-Y125 AromaticContact CE1-CD2 3.51Å; Y20-Y125 HydrophobicContact CE1-CD2 3.51Å; Y20-Y125 HydrophobicContact CE1-CE2 4.17Å; Y20-Y125 AromaticContact CE1-CG 3.98Å; Y20-Y125 HydrophobicContact CE1-CG 3.98Å
21L55.4Low58.1Low4 Ų482.4 Ų82.42%0.02142%0.423CS..EExtended strand (participates in β ladder)trans-94.278.7170.5-66.7177.9000109.6V5 I19 K23 T24 W46 W55 L57 I124 Y125 F126 L127V5-L21 HydrophobicContact CG2-CD2 4.17Å; I19-L21 HydrophobicContact CG2-CD2 4.31Å; I19-L21 HydrophobicContact CG2-CG 4.23Å; L21-K23 PolarHBondContact O-N 3.3Å; L21-T24 HydrophobicContact CD2-CG2 4.15Å; L21-W46 HydrophobicContact CD2-CZ3 4.32Å; L21-W55 HydrophobicContact CD2-CH2 4.08Å; L21-L57 HydrophobicContact CD1-CD1 3.92Å; L21-L57 HydrophobicContact CD1-CD2 3.33Å; L21-L57 HydrophobicContact CD1-CG 4.27Å; L21-L57 HydrophobicContact CD2-CD2 4.34Å; L21-L57 HydrophobicContact CG-CD2 4.49Å; L21-I124 HydrophobicContact CD1-CD1 3.44Å; L21-I124 VanDerWaalsContact CD1-CD1 3.44Å; L21-I124 HydrophobicContact CD1-CG1 3.83Å; L21-I124 HydrophobicContact CG-CD1 4.19Å; L21-I124 HydrophobicContact CG-CG1 4.18Å; L21-Y125 WeakPolarHBondContact CA-O 3.3Å; L21-Y125 PolarHBondContact N-O 3.31Å; L21-F126 HydrophobicContact CB-CD1 4.01Å; L21-F126 HydrophobicContact CB-CE1 4.38Å; L21-F126 HydrophobicContact CD1-CD1 3.8Å; L21-F126 HydrophobicContact CD1-CE1 3.33Å; L21-F126 HydrophobicContact CD1-CZ 3.96Å; L21-L127 PolarHBondContact O-N 2.87Å
22N51.1Low60.6Low62 Ų6278.3 Ų78.333%0.33241%0.411SS..SBendtrans-73.768.3153.6-162.35.7000108.8A4 V5 Y20 L127A4-N22 CarbonylContact C-O 3.59Å; A4-N22 VanDerWaalsContact CB-O 3.26Å; A4-N22 WeakPolarHBondContact CB-O 3.35Å; V5-N22 VanDerWaalsContact CA-O 3.25Å; V5-N22 WeakPolarHBondContact CA-O 3.44Å; V5-N22 PolarHBondContact N-O 2.92Å; Y20-N22 PolarHBondContact O-N 3.42Å; N22-L127 HydrophobicContact CB-CD1 4.13Å
23K52.3Low63Low62 Ų6278.3 Ų78.327%0.2742%0.417SS..  trans66.3172.7169.4-43.4126.363.6-165.60114.9I3 A4 V5 L21I3-K23 VanDerWaalsContact C-CB 3.41Å; I3-K23 HydrophobicContact CB-CB 4.04Å; I3-K23 HydrophobicContact CB-CG 4.48Å; I3-K23 VanDerWaalsContact O-CE 3.26Å; I3-K23 WeakPolarHBondContact O-CE 3.49Å; A4-K23 CarbonylContact C-O 3.5Å; A4-K23 HydrophobicContact CB-CB 4.12Å; A4-K23 HydrophobicContact CB-CD 4.32Å; A4-K23 VanDerWaalsContact N-CB 3.29Å; A4-K23 VanDerWaalsContact O-O 3.08Å; V5-K23 WeakPolarHBondContact CA-O 3.34Å; V5-K23 VanDerWaalsContact CB-O 3.29Å; V5-K23 WeakPolarHBondContact CB-O 3.44Å; V5-K23 PolarHBondContact N-O 3.11Å; V5-K23 VanDerWaalsContact N-O 3.16Å; L21-K23 PolarHBondContact O-N 3.3Å
24T55.2Low65.2Low1 Ų173.7 Ų73.71%0.00640%0.395CS..  trans-143.3101.9-179.358.60000116.2L2 I3 A4 L21 W46L2-T24 CarbonylContact C-O 2.96Å; L2-T24 WeakPolarHBondContact CB-OG1 3.42Å; L2-T24 CarbonylContact O-C 3.54Å; I3-T24 PolarHBondContact N-O 3.17Å; A4-T24 WeakPolarHBondContact O-CA 3.31Å; L21-T24 HydrophobicContact CD2-CG2 4.15Å; T24-W46 VanDerWaalsContact CB-CE2 3.46Å; T24-W46 HydrophobicContact CG2-CD2 3.52Å; T24-W46 HydrophobicContact CG2-CE3 3.52Å; T24-W46 HydrophobicContact CG2-CG 4.3Å; T24-W46 HydrophobicContact CG2-CH2 3.63Å; T24-W46 HydrophobicContact CG2-CZ2 3.62Å; T24-W46 HydrophobicContact CG2-CZ3 3.57Å
25L54.9Low66.9Low86 Ų8671 Ų7145%0.4539%0.387SS..  trans-68.3160.4179.1-80.6174.5000114M1 I3 A4 N27M1-L25 HydrophobicContact CE-CD2 3.83Å; I3-L25 HydrophobicContact CG2-CD2 4.04Å; A4-L25 PolarHBondContact O-N 3.3Å; L25-N27 VanDerWaalsContact C-N 3.3Å; L25-N27 PolarHBondContact O-N 3.22Å
26Q56.1Low68.3Low157 Ų15773.9 Ų73.973%0.73440%0.395SS*.SBendtrans-55.466.7-173.4-70.2-172.7-31.200116.6
27N64.8Low69.6Low86 Ų8681.2 Ų81.246%0.4642%0.424SS..SBendtrans-134.8132173.3-73.6-47.7000108.9L25 I29 W46 N49L25-N27 VanDerWaalsContact C-N 3.3Å; L25-N27 PolarHBondContact O-N 3.22Å; N27-I29 VanDerWaalsContact C-N 3.26Å; N27-I29 PolarHBondContact O-N 3.43Å; N27-W46 PolarHBondContact O-NE1 3.25Å; N27-W46 VanDerWaalsContact O-NE1 3.1Å; N27-N49 HydrophobicContact CB-CB 4.44Å
28K76.4Confident70.7Confident97 Ų9787.8 Ų87.842%0.42245%0.447SS..SBendtrans47.143.6179.8-53.5-178.2-175.2171.60114.3S47 P48 N49K28-S47 VanDerWaalsContact CB-OG 3.26Å; K28-S47 WeakPolarHBondContact CB-OG 3.38Å; K28-S47 WeakPolarHBondContact CD-OG 3.39Å; K28-S47 PolarHBondContact O-N 3.48Å; K28-P48 PolarHBondContact NZ-O 3.28Å; K28-N49 WeakPolarHBondContact CE-OD1 3.42Å
29I80.4Confident71.9Confident71 Ų7190.7 Ų90.736%0.36445%0.454SS..EExtended strand (participates in β ladder)trans-86.5128.6165.8-59.7173.3000107.6N27 V31 V44 S45N27-I29 VanDerWaalsContact C-N 3.26Å; N27-I29 PolarHBondContact O-N 3.43Å; I29-V31 HydrophobicContact CG2-CG2 3.92Å; I29-V44 HydrophobicContact CG2-CG1 3.87Å; I29-S45 CarbonylContact C-O 3.4Å; I29-S45 VanDerWaalsContact CA-O 3.32Å; I29-S45 WeakPolarHBondContact CA-O 3.34Å
30I85.4Confident73.2Confident100 Ų10092.7 Ų92.751%0.51346%0.463SS..EExtended strand (participates in β ladder)trans-117.3129.6169.7-58.4170.3000107S45I30-S45 PolarHBondContact N-O 3.16Å; I30-S45 PolarHBondContact O-N 3.32Å; I30-S45 PolarHBondContact O-OG 2.8Å
31V84.3Confident74.9Confident82 Ų8289.2 Ų89.250%0.49745%0.451SS..EExtended strand (participates in β ladder)trans-117.3122.5179.6-176.40000108.4I29 L42 S43 V44I29-V31 HydrophobicContact CG2-CG2 3.92Å; V31-L42 HydrophobicContact CG1-CD1 3.44Å; V31-L42 VanDerWaalsContact CG1-CD1 3.44Å; V31-L42 HydrophobicContact CG1-CG 4.48Å; V31-S43 WeakPolarHBondContact CA-O 3.44Å; V31-V44 HydrophobicContact CG1-CG2 4.45Å; V31-V44 HydrophobicContact CG2-CG1 4.43Å; V31-V44 HydrophobicContact CG2-CG2 4.39Å
32N87.9Confident76.6Confident102 Ų10290.3 Ų90.355%0.54546%0.457SS..EExtended strand (participates in β ladder)trans-117.3141.7172.3-62.9-24.7000108S43N32-S43 PolarHBondContact N-O 3.44Å; N32-S43 PolarHBondContact O-N 3.08Å
33S85.7Confident78.5Confident82 Ų8289 Ų8957%0.57345%0.453SS*.EExtended strand (participates in β ladder)trans-142.7145178.656.30000112.4D41S33-D41 CarbonylContact C-O 3.56Å; S33-D41 WeakPolarHBondContact CA-O 3.3Å; S33-D41 WeakPolarHBondContact CB-O 3.38Å
34T88Confident80.2Confident70 Ų7087.2 Ų87.243%0.42945%0.447SS..EExtended strand (participates in β ladder)trans-114.8135.9169.343.20000108.9Q40 D41T34-Q40 CarbonylContact O-C 3.56Å; T34-Q40 VanDerWaalsContact O-CA 3.27Å; T34-Q40 WeakPolarHBondContact O-CA 3.44Å; T34-D41 PolarHBondContact N-O 3.46Å; T34-D41 PolarHBondContact O-N 2.9Å; T34-D41 VanDerWaalsContact OG1-CB 3.32Å; T34-D41 WeakPolarHBondContact OG1-CB 3.48Å; T34-D41 PolarHBondContact OG1-OD2 3.4Å; T34-D41 VanDerWaalsContact OG1-OD2 3.11Å
35C82.3Confident81.8Confident94 Ų9488.1 Ų88.164%0.63545%0.454SS*.EExtended strand (participates in β ladder)trans-120.894.1177.7-62.60000108.4Q40C35-Q40 PolarHBondContact SG-OE1 3.41Å; C35-Q40 VanDerWaalsContact SG-OE1 3.36Å
36E84.8Confident83.3Confident134 Ų13484.5 Ų84.563%0.62643%0.434SS*.  trans-93.8166.2172.9-54.8-166.9165.200110.7K38 R39E36-K38 PolarHBondContact O-N 3.26Å; E36-R39 CarbonylContact C-O 3.57Å; E36-R39 WeakPolarHBondContact CA-O 3.49Å; E36-R39 WeakPolarHBondContact CB-O 3.32Å; E36-R39 PolarHBondContact N-O 3.07Å
37Q79.7Confident84.7Confident203 Ų20378.5 Ų78.595%0.94941%0.41SS*.SBendtrans-61.9-19.4-175.1-71.1-174.8-13.800115.2
38K84.9Confident85.2Confident182 Ų18274.7 Ų74.779%0.79139%0.39SS*.SBendtrans-127-9.6-174.3-66.5-174.6178.3-179.20114.2E36E36-K38 PolarHBondContact O-N 3.26Å
39R86.6Confident84.9Confident96 Ų9675 Ų7536%0.36240%0.396SS..  trans-155.9138.8-170.5179.9169.5161.6128.9-2.1109.3E36 D41 E63 E71E36-R39 CarbonylContact C-O 3.57Å; E36-R39 WeakPolarHBondContact CA-O 3.49Å; E36-R39 WeakPolarHBondContact CB-O 3.32Å; E36-R39 PolarHBondContact N-O 3.07Å; R39-D41 IonicContact CZ-OD1 2.79Å; R39-D41 IonicContact NE-OD1 2.73Å; R39-D41 PolarHBondContact NE-OD1 2.88Å; R39-D41 IonicContact NE-OD2 3.91Å; R39-D41 IonicContact NH2-OD1 2.83Å; R39-D41 PolarHBondContact NH2-OD1 2.95Å; R39-E63 VanDerWaalsContact CA-O 3.31Å; R39-E63 WeakPolarHBondContact CA-O 3.12Å; R39-E71 IonicContact CZ-OE1 3.45Å; R39-E71 IonicContact CZ-OE2 2.75Å; R39-E71 IonicContact NH1-OE1 3.14Å; R39-E71 PolarHBondContact NH1-OE1 2.97Å; R39-E71 IonicContact NH2-OE1 2.82Å; R39-E71 PolarHBondContact NH2-OE1 3.44Å; R39-E71 IonicContact NH2-OE2 3.89Å; R39-E71 PolarHBondContact NH2-OE2 3.19Å
40Q86.8Confident84.2Confident68 Ų6874.7 Ų74.732%0.31840%0.397SS..EExtended strand (participates in β ladder)trans-119.3132.5171.1-49.2-172.978.200108.2T34 C35 G62 E63 F134T34-Q40 CarbonylContact O-C 3.56Å; T34-Q40 VanDerWaalsContact O-CA 3.27Å; T34-Q40 WeakPolarHBondContact O-CA 3.44Å; C35-Q40 PolarHBondContact SG-OE1 3.41Å; C35-Q40 VanDerWaalsContact SG-OE1 3.36Å; Q40-G62 CarbonylContact O-C 3.57Å; Q40-E63 HydrophobicContact CB-CB 4.24Å; Q40-E63 PolarHBondContact N-O 3.46Å; Q40-E63 VanDerWaalsContact N-O 3.1Å; Q40-E63 PolarHBondContact NE2-OE2 2.89Å; Q40-E63 PolarHBondContact O-N 2.98Å; Q40-F134 HydrophobicContact CB-CD1 4.4Å; Q40-F134 HydrophobicContact CB-CE1 3.81Å
41D90.8Very high82.9Confident34 Ų3477.4 Ų77.418%0.18241%0.413CS..EExtended strand (participates in β ladder)trans-110.6139.1173-47.7-73.1000109.7S33 T34 R39 F61S33-D41 CarbonylContact C-O 3.56Å; S33-D41 WeakPolarHBondContact CA-O 3.3Å; S33-D41 WeakPolarHBondContact CB-O 3.38Å; T34-D41 PolarHBondContact N-O 3.46Å; T34-D41 PolarHBondContact O-N 2.9Å; T34-D41 VanDerWaalsContact OG1-CB 3.32Å; T34-D41 WeakPolarHBondContact OG1-CB 3.48Å; T34-D41 PolarHBondContact OG1-OD2 3.4Å; T34-D41 VanDerWaalsContact OG1-OD2 3.11Å; R39-D41 IonicContact CZ-OD1 2.79Å; R39-D41 IonicContact NE-OD1 2.73Å; R39-D41 PolarHBondContact NE-OD1 2.88Å; R39-D41 IonicContact NE-OD2 3.91Å; R39-D41 IonicContact NH2-OD1 2.83Å; R39-D41 PolarHBondContact NH2-OD1 2.95Å; D41-F61 CarbonylContact C-O 3.57Å; D41-F61 WeakPolarHBondContact CA-O 3.42Å
42L89.7Confident81.6Confident28 Ų2880.7 Ų80.715%0.14743%0.427CS..EExtended strand (participates in β ladder)trans-126.2109.6178.2-179.171.3000109V31 V44 F61 A133 F134V31-L42 HydrophobicContact CG1-CD1 3.44Å; V31-L42 VanDerWaalsContact CG1-CD1 3.44Å; V31-L42 HydrophobicContact CG1-CG 4.48Å; L42-V44 HydrophobicContact CD2-CG2 4.24Å; L42-V44 HydrophobicContact CG-CG2 4.08Å; L42-F61 HydrophobicContact CB-CB 4.33Å; L42-F61 HydrophobicContact CD2-CD2 4.26Å; L42-F61 HydrophobicContact CG-CD2 4.48Å; L42-F61 PolarHBondContact N-O 3.4Å; L42-F61 WeakPolarHBondContact O-CD2 3.47Å; L42-F61 PolarHBondContact O-N 3.36Å; L42-A133 HydrophobicContact CD2-CB 3.86Å; L42-F134 HydrophobicContact CB-CE1 3.72Å; L42-F134 HydrophobicContact CB-CE2 4.27Å; L42-F134 HydrophobicContact CB-CZ 3.53Å
43S90.7Very high80.4Confident34 Ų3476.7 Ų76.724%0.23841%0.406CS..EExtended strand (participates in β ladder)trans-97.6117.5171.6-171.10000110.1V31 N32 F59V31-S43 WeakPolarHBondContact CA-O 3.44Å; N32-S43 PolarHBondContact N-O 3.44Å; N32-S43 PolarHBondContact O-N 3.08Å; S43-F59 CarbonylContact C-O 3.57Å; S43-F59 WeakPolarHBondContact CA-O 3.26Å
44V88.7Confident80.1Confident25 Ų2577.3 Ų77.315%0.15240%0.403CS..EExtended strand (participates in β ladder)trans-110.2112174.1-176.80000108I29 V31 L42 F59 F61I29-V44 HydrophobicContact CG2-CG1 3.87Å; V31-V44 HydrophobicContact CG1-CG2 4.45Å; V31-V44 HydrophobicContact CG2-CG1 4.43Å; V31-V44 HydrophobicContact CG2-CG2 4.39Å; L42-V44 HydrophobicContact CD2-CG2 4.24Å; L42-V44 HydrophobicContact CG-CG2 4.08Å; V44-F59 HydrophobicContact CB-CB 4.46Å; V44-F59 PolarHBondContact N-O 3.38Å; V44-F59 PolarHBondContact O-N 3.46Å; V44-F61 HydrophobicContact CG2-CE2 4.15Å
45S89.6Confident80Confident20 Ų2075.6 Ų75.614%0.1439%0.389CS..EExtended strand (participates in β ladder)trans-105.5145.7171.566.50000111.4I29 I30 L57I29-S45 CarbonylContact C-O 3.4Å; I29-S45 VanDerWaalsContact CA-O 3.32Å; I29-S45 WeakPolarHBondContact CA-O 3.34Å; I30-S45 PolarHBondContact N-O 3.16Å; I30-S45 PolarHBondContact O-N 3.32Å; I30-S45 PolarHBondContact O-OG 2.8Å; S45-L57 CarbonylContact C-O 3.46Å; S45-L57 WeakPolarHBondContact CA-O 3.38Å
46W86.5Confident80.2Confident9 Ų974.3 Ų74.33%0.03437%0.373CS..EExtended strand (participates in β ladder)trans-138.2137179.4172.878.8000109.7V5 L21 T24 N27 P48 W55 K56 L57V5-W46 HydrophobicContact CB-CH2 4.18Å; V5-W46 HydrophobicContact CB-CZ2 4.49Å; V5-W46 HydrophobicContact CG1-CH2 4.27Å; V5-W46 HydrophobicContact CG1-CZ2 4.46Å; V5-W46 HydrophobicContact CG2-CH2 3.86Å; L21-W46 HydrophobicContact CD2-CZ3 4.32Å; T24-W46 VanDerWaalsContact CB-CE2 3.46Å; T24-W46 HydrophobicContact CG2-CD2 3.52Å; T24-W46 HydrophobicContact CG2-CE3 3.52Å; T24-W46 HydrophobicContact CG2-CG 4.3Å; T24-W46 HydrophobicContact CG2-CH2 3.63Å; T24-W46 HydrophobicContact CG2-CZ2 3.62Å; T24-W46 HydrophobicContact CG2-CZ3 3.57Å; N27-W46 PolarHBondContact O-NE1 3.25Å; N27-W46 VanDerWaalsContact O-NE1 3.1Å; W46-P48 HydrophobicContact CH2-CB 3.82Å; W46-P48 HydrophobicContact CH2-CG 3.65Å; W46-P48 HydrophobicContact CZ2-CB 4.29Å; W46-P48 HydrophobicContact CZ2-CG 4.48Å; W46-P48 HydrophobicContact CZ3-CB 4.46Å; W46-P48 HydrophobicContact CZ3-CG 3.8Å; W46-W55 AromaticContact CZ3-CH2 3.77Å; W46-W55 HydrophobicContact CZ3-CH2 3.77Å; W46-W55 HydrophobicContact CZ3-CZ2 4.36Å; W46-W55 HydrophobicContact CZ3-CZ3 4.2Å; W46-K56 CarbonylContact O-C 3.59Å; W46-K56 WeakPolarHBondContact O-CA 3.44Å; W46-L57 HydrophobicContact CE3-CB 4.09Å; W46-L57 HydrophobicContact CE3-CD2 4.38Å; W46-L57 PolarHBondContact N-O 2.96Å; W46-L57 PolarHBondContact O-N 3.38Å
47S84.4Confident80.4Confident32 Ų3268 Ų6822%0.22434%0.343CS..  trans-123.3146.4172.654.70000111.1K28K28-S47 VanDerWaalsContact CB-OG 3.26Å; K28-S47 WeakPolarHBondContact CB-OG 3.38Å; K28-S47 WeakPolarHBondContact CD-OG 3.39Å; K28-S47 PolarHBondContact O-N 3.48Å
48P75.8Confident80.9Confident6 Ų659.9 Ų59.94%0.03931%0.306CS..  trans-62.6149.3176.4-15.427.3000111.8K28 W46 V50 S53 W55K28-P48 PolarHBondContact NZ-O 3.28Å; W46-P48 HydrophobicContact CH2-CB 3.82Å; W46-P48 HydrophobicContact CH2-CG 3.65Å; W46-P48 HydrophobicContact CZ2-CB 4.29Å; W46-P48 HydrophobicContact CZ2-CG 4.48Å; W46-P48 HydrophobicContact CZ3-CB 4.46Å; W46-P48 HydrophobicContact CZ3-CG 3.8Å; P48-V50 HydrophobicContact CB-CG2 4.1Å; P48-V50 PolarHBondContact O-N 3.11Å; P48-S53 WeakPolarHBondContact CB-OG 3.48Å; P48-S53 PolarHBondContact O-OG 3.48Å; P48-W55 WeakPolarHBondContact CD-O 3.44Å; P48-W55 HydrophobicContact CG-CD2 4.22Å; P48-W55 HydrophobicContact CG-CH2 4.19Å; P48-W55 HydrophobicContact CG-CZ2 3.5Å
49N69.8Low81.2Confident104 Ų10451.4 Ų51.456%0.55627%0.269SS*.SBendtrans-84.144.2171.4-158.625.5000112.1N27 K28N27-N49 HydrophobicContact CB-CB 4.44Å; K28-N49 WeakPolarHBondContact CE-OD1 3.42Å
50V66Low81.5Confident63 Ų6348 Ų4838%0.38226%0.259SS..  trans-110.8128.5175.6-171.40000107.3P48 L52 S53P48-V50 HydrophobicContact CB-CG2 4.1Å; P48-V50 PolarHBondContact O-N 3.11Å; V50-L52 HydrophobicContact CG1-CB 4.18Å; V50-L52 PolarHBondContact O-N 3.41Å; V50-S53 PolarHBondContact O-N 3.31Å; V50-S53 VanDerWaalsContact O-N 3.08Å; V50-S53 PolarHBondContact O-OG 2.93Å
51N59.1Low81.7Confident158 Ų15845.2 Ų45.285%0.84525%0.246SC*.THydrogen-bonded Turntrans-65.3-0.8179.8-67.1-12.4000114.1
52L56.2Low81.7Confident151 Ų15143.7 Ų43.779%0.79124%0.238SC*.THydrogen-bonded Turntrans-117.10.6-179.8-59.3172.6000112.9V50 N54V50-L52 HydrophobicContact CG1-CB 4.18Å; V50-L52 PolarHBondContact O-N 3.41Å; L52-N54 PolarHBondContact O-N 2.98Å
53S63.4Low81.6Confident17 Ų1743.5 Ų43.512%0.11924%0.236CC..  trans-88.590.5179.359.50000111.3P48 V50 W55P48-S53 WeakPolarHBondContact CB-OG 3.48Å; P48-S53 PolarHBondContact O-OG 3.48Å; V50-S53 PolarHBondContact O-N 3.31Å; V50-S53 VanDerWaalsContact O-N 3.08Å; V50-S53 PolarHBondContact O-OG 2.93Å; S53-W55 PolarHBondContact O-N 2.91Å
54N79.3Confident81.4Confident96 Ų9646 Ų4651%0.51325%0.247SC..  trans-75.342.2171.7-63-2.5000111.9L52 Y77 T78L52-N54 PolarHBondContact O-N 2.98Å; N54-Y77 CarbonylContact O-C 3.56Å; N54-Y77 WeakPolarHBondContact O-CA 2.96Å; N54-Y77 WeakPolarHBondContact O-CB 3.41Å; N54-T78 PolarHBondContact O-N 3.28Å
55W84.4Confident81Confident33 Ų3350.2 Ų50.213%0.12528%0.277CS..EExtended strand (participates in β ladder)trans-147.8149.1-177.870.7-87.7000113.6I19 L21 W46 P48 S53 L57 V75 T76I19-W55 HydrophobicContact CG2-CH2 3.86Å; I19-W55 HydrophobicContact CG2-CZ2 4.34Å; I19-W55 HydrophobicContact CG2-CZ3 4.41Å; L21-W55 HydrophobicContact CD2-CH2 4.08Å; W46-W55 AromaticContact CZ3-CH2 3.77Å; W46-W55 HydrophobicContact CZ3-CH2 3.77Å; W46-W55 HydrophobicContact CZ3-CZ2 4.36Å; W46-W55 HydrophobicContact CZ3-CZ3 4.2Å; P48-W55 WeakPolarHBondContact CD-O 3.44Å; P48-W55 HydrophobicContact CG-CD2 4.22Å; P48-W55 HydrophobicContact CG-CH2 4.19Å; P48-W55 HydrophobicContact CG-CZ2 3.5Å; S53-W55 PolarHBondContact O-N 2.91Å; W55-L57 HydrophobicContact CZ3-CB 4.11Å; W55-V75 HydrophobicContact CE3-CG1 4.17Å; W55-T76 CarbonylContact C-O 3.59Å; W55-T76 WeakPolarHBondContact CA-O 3.41Å; W55-T76 VanDerWaalsContact CB-O 3.31Å; W55-T76 WeakPolarHBondContact CB-O 3.43Å
56K87.3Confident80.9Confident68 Ų6855.8 Ų55.830%0.29630%0.301SS..EExtended strand (participates in β ladder)trans-125.3136175.155.7-174.5173.8-164.90109.1W46 I58 V75 T76 E84W46-K56 CarbonylContact O-C 3.59Å; W46-K56 WeakPolarHBondContact O-CA 3.44Å; K56-I58 HydrophobicContact CD-CD1 4.31Å; K56-I58 HydrophobicContact CG-CD1 4.42Å; K56-I58 HydrophobicContact CG-CG1 4.38Å; K56-V75 WeakPolarHBondContact O-CA 3.46Å; K56-T76 WeakPolarHBondContact CE-OG1 3.39Å; K56-T76 HydrophobicContact CG-CG2 4.45Å; K56-T76 PolarHBondContact N-O 2.94Å; K56-T76 PolarHBondContact O-N 3.47Å; K56-E84 IonicContact NZ-OE1 2.83Å; K56-E84 PolarHBondContact NZ-OE1 3.06Å
57L88.5Confident81.1Confident0 Ų061.5 Ų61.50%032%0.323CS..EExtended strand (participates in β ladder)trans-85.2140.6164.5-176.165.8000108.3L21 S45 W46 W55 F59 I73 G74 V75 I124L21-L57 HydrophobicContact CD1-CD1 3.92Å; L21-L57 HydrophobicContact CD1-CD2 3.33Å; L21-L57 HydrophobicContact CD1-CG 4.27Å; L21-L57 HydrophobicContact CD2-CD2 4.34Å; L21-L57 HydrophobicContact CG-CD2 4.49Å; S45-L57 CarbonylContact C-O 3.46Å; S45-L57 WeakPolarHBondContact CA-O 3.38Å; W46-L57 HydrophobicContact CE3-CB 4.09Å; W46-L57 HydrophobicContact CE3-CD2 4.38Å; W46-L57 PolarHBondContact N-O 2.96Å; W46-L57 PolarHBondContact O-N 3.38Å; W55-L57 HydrophobicContact CZ3-CB 4.11Å; L57-F59 HydrophobicContact CD2-CD2 4.48Å; L57-F59 HydrophobicContact CD2-CE2 3.42Å; L57-F59 VanDerWaalsContact CD2-CE2 3.42Å; L57-F59 HydrophobicContact CD2-CZ 3.45Å; L57-F59 VanDerWaalsContact CD2-CZ 3.45Å; L57-F59 HydrophobicContact CG-CD2 4.42Å; L57-F59 HydrophobicContact CG-CE2 3.77Å; L57-F59 HydrophobicContact CG-CZ 3.98Å; L57-I73 HydrophobicContact CD1-CG2 4.16Å; L57-G74 CarbonylContact C-O 3.57Å; L57-V75 HydrophobicContact CD1-CG2 3.89Å; L57-I124 HydrophobicContact CD1-CD1 3.54Å
58I91.2Very high81.4Confident34 Ų3460 Ų6017%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-129.3134.6179.4-54178.3000108.4K56 V60 I73 G74 T76K56-I58 HydrophobicContact CD-CD1 4.31Å; K56-I58 HydrophobicContact CG-CD1 4.42Å; K56-I58 HydrophobicContact CG-CG1 4.38Å; I58-V60 HydrophobicContact CG2-CG2 4.1Å; I58-I73 CarbonylContact O-C 3.59Å; I58-I73 WeakPolarHBondContact O-CA 3.35Å; I58-G74 PolarHBondContact N-O 3.22Å; I58-G74 PolarHBondContact O-N 3.42Å; I58-T76 WeakPolarHBondContact CD1-OG1 3.3Å
59F90.7Very high82.2Confident3 Ų361.8 Ų61.81%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-117.3133.2166.7-57.4-87.9000107.7L2 S43 V44 L57 F61 L70 R72 I73 F126 M131L2-F59 HydrophobicContact CD1-CD2 4.34Å; L2-F59 HydrophobicContact CD1-CE2 3.57Å; L2-F59 HydrophobicContact CD1-CZ 3.98Å; L2-F59 HydrophobicContact CD2-CZ 4.09Å; S43-F59 CarbonylContact C-O 3.57Å; S43-F59 WeakPolarHBondContact CA-O 3.26Å; V44-F59 HydrophobicContact CB-CB 4.46Å; V44-F59 PolarHBondContact N-O 3.38Å; V44-F59 PolarHBondContact O-N 3.46Å; L57-F59 HydrophobicContact CD2-CD2 4.48Å; L57-F59 HydrophobicContact CD2-CE2 3.42Å; L57-F59 VanDerWaalsContact CD2-CE2 3.42Å; L57-F59 HydrophobicContact CD2-CZ 3.45Å; L57-F59 VanDerWaalsContact CD2-CZ 3.45Å; L57-F59 HydrophobicContact CG-CD2 4.42Å; L57-F59 HydrophobicContact CG-CE2 3.77Å; L57-F59 HydrophobicContact CG-CZ 3.98Å; F59-F61 HydrophobicContact CB-CD2 4.37Å; F59-F61 HydrophobicContact CB-CE2 3.63Å; F59-F61 HydrophobicContact CB-CZ 4.04Å; F59-L70 HydrophobicContact CB-CD1 3.82Å; F59-L70 HydrophobicContact CD1-CD1 4.05Å; F59-L70 HydrophobicContact CD1-CD2 4.02Å; F59-L70 HydrophobicContact CG-CD1 4.45Å; F59-R72 WeakPolarHBondContact CA-O 3.26Å; F59-I73 HydrophobicContact CD1-CG1 4.13Å; F59-I73 HydrophobicContact CE1-CG1 4.43Å; F59-F126 AromaticContact CE1-CE1 3.84Å; F59-F126 HydrophobicContact CE1-CE1 3.84Å; F59-F126 HydrophobicContact CE1-CZ 4.03Å; F59-F126 AromaticContact CZ-CE1 3.84Å; F59-F126 HydrophobicContact CZ-CE1 3.84Å; F59-F126 HydrophobicContact CZ-CZ 4.4Å; F59-M131 HydrophobicContact CE1-CE 3.82Å; F59-M131 HydrophobicContact CE1-SD 4.47Å; F59-M131 HydrophobicContact CZ-CE 4.44Å
60V92.5Very high83.2Confident24 Ų2456.8 Ų56.815%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-119.5116.1172.9-174.40000107.9I58 L70 E71 R72I58-V60 HydrophobicContact CG2-CG2 4.1Å; V60-L70 WeakPolarHBondContact O-CD1 3.17Å; V60-E71 PolarHBondContact O-N 3.27Å; V60-R72 HydrophobicContact CB-CB 3.93Å; V60-R72 HydrophobicContact CG2-CB 4.11Å; V60-R72 PolarHBondContact N-O 3Å; V60-R72 PolarHBondContact O-N 3.3Å
61F90.8Very high84.4Confident11 Ų1156.3 Ų56.35%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-105.5138174.6-52.4-96.4000109.9D41 L42 V44 F59 Y68 D69 L70 F94 A133 F134D41-F61 CarbonylContact C-O 3.57Å; D41-F61 WeakPolarHBondContact CA-O 3.42Å; L42-F61 HydrophobicContact CB-CB 4.33Å; L42-F61 HydrophobicContact CD2-CD2 4.26Å; L42-F61 HydrophobicContact CG-CD2 4.48Å; L42-F61 PolarHBondContact N-O 3.4Å; L42-F61 WeakPolarHBondContact O-CD2 3.47Å; L42-F61 PolarHBondContact O-N 3.36Å; V44-F61 HydrophobicContact CG2-CE2 4.15Å; F59-F61 HydrophobicContact CB-CD2 4.37Å; F59-F61 HydrophobicContact CB-CE2 3.63Å; F59-F61 HydrophobicContact CB-CZ 4.04Å; F61-Y68 HydrophobicContact CD1-CD2 4.21Å; F61-Y68 HydrophobicContact CD1-CE2 4.35Å; F61-D69 CarbonylContact C-O 3.54Å; F61-D69 WeakPolarHBondContact CA-O 3.5Å; F61-D69 WeakPolarHBondContact CB-O 3.31Å; F61-L70 HydrophobicContact CD1-CB 3.81Å; F61-L70 HydrophobicContact CD1-CD1 3.89Å; F61-L70 HydrophobicContact CD1-CG 4.4Å; F61-L70 HydrophobicContact CD2-CD1 4.43Å; F61-L70 HydrophobicContact CE1-CB 3.82Å; F61-L70 HydrophobicContact CE1-CD1 3.73Å; F61-L70 HydrophobicContact CE1-CD2 4.32Å; F61-L70 HydrophobicContact CE1-CG 4.16Å; F61-L70 HydrophobicContact CE2-CD1 4.28Å; F61-L70 HydrophobicContact CG-CD1 4.25Å; F61-L70 HydrophobicContact CZ-CD1 3.93Å; F61-F94 HydrophobicContact CE1-CZ 4.09Å; F61-A133 HydrophobicContact CB-CB 4.2Å; F61-A133 HydrophobicContact CD1-CB 3.88Å; F61-A133 HydrophobicContact CD2-CB 4.22Å; F61-A133 HydrophobicContact CE1-CB 4.26Å; F61-A133 HydrophobicContact CG-CB 3.85Å; F61-F134 HydrophobicContact CB-CE2 3.71Å; F61-F134 HydrophobicContact CB-CZ 4.15Å
62G91.4Very high85.9Confident1 Ų154.4 Ų54.41%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-108.2142.4167.200000110Q40 Y68 D69Q40-G62 CarbonylContact O-C 3.57Å; G62-Y68 CarbonylContact O-C 3.49Å; G62-Y68 WeakPolarHBondContact O-CA 3.43Å; G62-Y68 WeakPolarHBondContact O-CB 3.47Å; G62-D69 PolarHBondContact N-O 3.1Å; G62-D69 VanDerWaalsContact N-O 3.12Å; G62-D69 PolarHBondContact O-N 3.42Å
63E87.8Confident87.6Confident24 Ų2447.4 Ų47.411%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-118.1127.7171.5175.2-176.8-168.400109.9R39 Q40 R67 V98 F134R39-E63 VanDerWaalsContact CA-O 3.31Å; R39-E63 WeakPolarHBondContact CA-O 3.12Å; Q40-E63 HydrophobicContact CB-CB 4.24Å; Q40-E63 PolarHBondContact N-O 3.46Å; Q40-E63 VanDerWaalsContact N-O 3.1Å; Q40-E63 PolarHBondContact NE2-OE2 2.89Å; Q40-E63 PolarHBondContact O-N 2.98Å; E63-R67 CarbonylContact C-O 3.51Å; E63-R67 WeakPolarHBondContact CA-O 3.25Å; E63-V98 HydrophobicContact CG-CG2 3.99Å; E63-V98 VanDerWaalsContact OE1-CG2 3.32Å; E63-V98 WeakPolarHBondContact OE1-CG2 3.31Å; E63-F134 HydrophobicContact CB-CD1 4.05Å; E63-F134 HydrophobicContact CB-CD2 3.83Å; E63-F134 HydrophobicContact CB-CE1 3.86Å; E63-F134 HydrophobicContact CB-CE2 3.64Å; E63-F134 HydrophobicContact CB-CG 4.03Å; E63-F134 HydrophobicContact CB-CZ 3.65Å; E63-F134 HydrophobicContact CG-CD2 4.48Å; E63-F134 HydrophobicContact CG-CG 4.4Å; E63-F134 WeakPolarHBondContact OE2-CD1 3.07Å; E63-F134 VanDerWaalsContact OE2-CG 3.25Å; E63-F134 WeakPolarHBondContact OE2-CG 3.16Å
64D86.8Confident88.9Confident87 Ų8746.7 Ų46.747%0.46523%0.228SC..  trans-95.5169.4155.173.342000110E66 R67D64-E66 PolarHBondContact O-N 3.09Å; D64-E66 PolarHBondContact OD1-N 2.77Å; D64-R67 PolarHBondContact N-O 3.19Å; D64-R67 PolarHBondContact O-N 3.05Å; D64-R67 VanDerWaalsContact O-O 3.09Å; D64-R67 PolarHBondContact OD1-N 3.45Å
65S79.7Confident89.4Confident113 Ų11342.1 Ų42.179%0.7920%0.203SC*.SBendtrans-55.6-12.2-171.2-51.20000117
66E87.3Confident89.6Confident137 Ų13740.7 Ų40.764%0.6420%0.198SC*.SBendtrans-124.9-22.7177.5-65.3-175.9-175.800113.9D64 P97 V98D64-E66 PolarHBondContact O-N 3.09Å; D64-E66 PolarHBondContact OD1-N 2.77Å; E66-P97 WeakPolarHBondContact O-CA 3.34Å; E66-V98 PolarHBondContact O-N 3.48Å
67R91Very high89.6Confident130 Ų13039.9 Ų39.949%0.49119%0.194SC..EExtended strand (participates in β ladder)trans-142.9153.7-166.7-56.8-179-171.4-176.83.1111.6E63 D64 T95 I96E63-R67 CarbonylContact C-O 3.51Å; E63-R67 WeakPolarHBondContact CA-O 3.25Å; D64-R67 PolarHBondContact N-O 3.19Å; D64-R67 PolarHBondContact O-N 3.05Å; D64-R67 VanDerWaalsContact O-O 3.09Å; D64-R67 PolarHBondContact OD1-N 3.45Å; R67-T95 HydrophobicContact CB-CG2 4.18Å; R67-I96 CarbonylContact C-O 3.52Å; R67-I96 VanDerWaalsContact CA-O 3.31Å; R67-I96 WeakPolarHBondContact CA-O 3.43Å
68Y91.1Very high89.4Confident1 Ų142.2 Ų42.20%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-127.515216771.1-88.4000111.8F61 G62 F94 T95 I96 V98 G100 E132 A133 F134F61-Y68 HydrophobicContact CD1-CD2 4.21Å; F61-Y68 HydrophobicContact CD1-CE2 4.35Å; G62-Y68 CarbonylContact O-C 3.49Å; G62-Y68 WeakPolarHBondContact O-CA 3.43Å; G62-Y68 WeakPolarHBondContact O-CB 3.47Å; Y68-F94 HydrophobicContact CD2-CE2 4.26Å; Y68-F94 AromaticContact CE2-CE2 3.83Å; Y68-F94 HydrophobicContact CE2-CE2 3.83Å; Y68-F94 HydrophobicContact CE2-CZ 4.4Å; Y68-T95 CarbonylContact O-C 3.54Å; Y68-T95 WeakPolarHBondContact O-CA 3.44Å; Y68-I96 HydrophobicContact CD1-CG1 4.23Å; Y68-I96 HydrophobicContact CD2-CG1 4.24Å; Y68-I96 HydrophobicContact CE1-CD1 3.93Å; Y68-I96 HydrophobicContact CE1-CG1 3.76Å; Y68-I96 HydrophobicContact CE2-CD1 3.76Å; Y68-I96 HydrophobicContact CE2-CG1 3.78Å; Y68-I96 HydrophobicContact CG-CG1 4.47Å; Y68-I96 PolarHBondContact N-O 3.27Å; Y68-I96 PolarHBondContact O-N 3.13Å; Y68-I96 WeakPolarHBondContact OH-CD1 3.5Å; Y68-V98 HydrophobicContact CD1-CG2 4.3Å; Y68-G100 PolarHBondContact OH-O 3.06Å; Y68-E132 VanDerWaalsContact OH-CA 3.31Å; Y68-E132 WeakPolarHBondContact OH-CA 3.18Å; Y68-A133 HydrophobicContact CD2-CB 3.79Å; Y68-A133 HydrophobicContact CE2-CB 3.58Å; Y68-A133 HydrophobicContact CG-CB 4.44Å; Y68-A133 PolarHBondContact OH-N 3.33Å; Y68-F134 HydrophobicContact CD1-CD2 4.19Å; Y68-F134 HydrophobicContact CD2-CD2 4.18Å; Y68-F134 HydrophobicContact CD2-CE2 4.4Å; Y68-F134 AromaticContact CG-CD2 3.76Å; Y68-F134 HydrophobicContact CG-CD2 3.76Å; Y68-F134 HydrophobicContact CG-CE2 4.18Å
69D91.5Very high88.8Confident42 Ų4242.4 Ų42.423%0.22521%0.211CC..EExtended strand (participates in β ladder)trans-122.2157.8172.869.8-26000111.3F61 G62 E71 F94 T95F61-D69 CarbonylContact C-O 3.54Å; F61-D69 WeakPolarHBondContact CA-O 3.5Å; F61-D69 WeakPolarHBondContact CB-O 3.31Å; G62-D69 PolarHBondContact N-O 3.1Å; G62-D69 VanDerWaalsContact N-O 3.12Å; G62-D69 PolarHBondContact O-N 3.42Å; D69-E71 VanDerWaalsContact OD1-CG 3.29Å; D69-E71 WeakPolarHBondContact OD1-CG 3.45Å; D69-E71 WeakPolarHBondContact OD2-CG 3.23Å; D69-F94 WeakPolarHBondContact CA-O 3.21Å; D69-F94 WeakPolarHBondContact CB-O 3.21Å; D69-T95 HydrophobicContact CB-CG2 4.17Å
70L90.8Very high88.2Confident0 Ų051.1 Ų51.10%026%0.255CS..EExtended strand (participates in β ladder)trans-93.589.6165172.558.8000106.9F59 V60 F61 R72 I73 G92 L93 F94 M131F59-L70 HydrophobicContact CB-CD1 3.82Å; F59-L70 HydrophobicContact CD1-CD1 4.05Å; F59-L70 HydrophobicContact CD1-CD2 4.02Å; F59-L70 HydrophobicContact CG-CD1 4.45Å; V60-L70 WeakPolarHBondContact O-CD1 3.17Å; F61-L70 HydrophobicContact CD1-CB 3.81Å; F61-L70 HydrophobicContact CD1-CD1 3.89Å; F61-L70 HydrophobicContact CD1-CG 4.4Å; F61-L70 HydrophobicContact CD2-CD1 4.43Å; F61-L70 HydrophobicContact CE1-CB 3.82Å; F61-L70 HydrophobicContact CE1-CD1 3.73Å; F61-L70 HydrophobicContact CE1-CD2 4.32Å; F61-L70 HydrophobicContact CE1-CG 4.16Å; F61-L70 HydrophobicContact CE2-CD1 4.28Å; F61-L70 HydrophobicContact CG-CD1 4.25Å; F61-L70 HydrophobicContact CZ-CD1 3.93Å; L70-R72 WeakPolarHBondContact CD1-O 3.48Å; L70-I73 HydrophobicContact CD1-CG1 4.43Å; L70-I73 HydrophobicContact CD2-CD1 3.95Å; L70-I73 HydrophobicContact CD2-CG1 3.88Å; L70-I73 HydrophobicContact CG-CG1 4.23Å; L70-G92 CarbonylContact O-C 3.54Å; L70-G92 WeakPolarHBondContact O-CA 3Å; L70-L93 HydrophobicContact CB-CB 4.19Å; L70-L93 HydrophobicContact CD2-CB 3.88Å; L70-L93 HydrophobicContact CD2-CD2 3.76Å; L70-L93 HydrophobicContact CD2-CG 4.44Å; L70-L93 HydrophobicContact CG-CB 4.18Å; L70-L93 PolarHBondContact O-N 2.99Å; L70-F94 HydrophobicContact CB-CD1 4.47Å; L70-F94 HydrophobicContact CB-CE1 4.02Å; L70-F94 HydrophobicContact CB-CE2 4.21Å; L70-F94 HydrophobicContact CB-CZ 3.88Å; L70-F94 HydrophobicContact CD2-CE1 4.21Å; L70-F94 PolarHBondContact N-O 3.26Å; L70-F94 VanDerWaalsContact N-O 3.17Å; L70-M131 HydrophobicContact CD2-CE 4.46Å; L70-M131 HydrophobicContact CD2-SD 3.67Å
71E91.3Very high87.6Confident52 Ų5258.9 Ų58.924%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-63.2-39.7-176.5-66-170.6142.700113R39 V60 D69 R91 G92R39-E71 IonicContact CZ-OE1 3.45Å; R39-E71 IonicContact CZ-OE2 2.75Å; R39-E71 IonicContact NH1-OE1 3.14Å; R39-E71 PolarHBondContact NH1-OE1 2.97Å; R39-E71 IonicContact NH2-OE1 2.82Å; R39-E71 PolarHBondContact NH2-OE1 3.44Å; R39-E71 IonicContact NH2-OE2 3.89Å; R39-E71 PolarHBondContact NH2-OE2 3.19Å; V60-E71 PolarHBondContact O-N 3.27Å; D69-E71 VanDerWaalsContact OD1-CG 3.29Å; D69-E71 WeakPolarHBondContact OD1-CG 3.45Å; D69-E71 WeakPolarHBondContact OD2-CG 3.23Å; E71-R91 CarbonylContact O-C 3.59Å; E71-G92 WeakPolarHBondContact O-CA 3.11Å; E71-G92 PolarHBondContact O-N 2.97Å
72R91.1Very high87.2Confident119 Ų11960.9 Ų60.945%0.44931%0.311SS..EExtended strand (participates in β ladder)trans-142.7137.2-170.8-154-176.5-51.6-1784113F59 V60 L70 N88F59-R72 WeakPolarHBondContact CA-O 3.26Å; V60-R72 HydrophobicContact CB-CB 3.93Å; V60-R72 HydrophobicContact CG2-CB 4.11Å; V60-R72 PolarHBondContact N-O 3Å; V60-R72 PolarHBondContact O-N 3.3Å; L70-R72 WeakPolarHBondContact CD1-O 3.48Å; R72-N88 VanDerWaalsContact CD-OD1 3.24Å; R72-N88 WeakPolarHBondContact CD-OD1 3.29Å; R72-N88 HydrophobicContact CG-CB 4.35Å
73I90.8Very high86.9Confident3 Ų365.8 Ų65.82%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-114.2121.4161.5-57.7173.6000107L57 I58 F59 L70 T89 L93 R110 F126L57-I73 HydrophobicContact CD1-CG2 4.16Å; I58-I73 CarbonylContact O-C 3.59Å; I58-I73 WeakPolarHBondContact O-CA 3.35Å; F59-I73 HydrophobicContact CD1-CG1 4.13Å; F59-I73 HydrophobicContact CE1-CG1 4.43Å; L70-I73 HydrophobicContact CD1-CG1 4.43Å; L70-I73 HydrophobicContact CD2-CD1 3.95Å; L70-I73 HydrophobicContact CD2-CG1 3.88Å; L70-I73 HydrophobicContact CG-CG1 4.23Å; I73-T89 HydrophobicContact CB-CG2 3.87Å; I73-T89 PolarHBondContact N-OG1 3.35Å; I73-T89 PolarHBondContact O-N 3.09Å; I73-T89 PolarHBondContact O-OG1 3.43Å; I73-L93 HydrophobicContact CD1-CD2 4.48Å; I73-R110 HydrophobicContact CD1-CG 4.33Å; I73-F126 HydrophobicContact CD1-CE2 3.86Å; I73-F126 HydrophobicContact CD1-CZ 3.9Å; I73-F126 HydrophobicContact CG2-CZ 4.01Å
74G91.2Very high86.8Confident2 Ų269.8 Ų69.82%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-117.3149.8178.500000112L57 I58 A87L57-G74 CarbonylContact C-O 3.57Å; I58-G74 PolarHBondContact N-O 3.22Å; I58-G74 PolarHBondContact O-N 3.42Å; G74-A87 CarbonylContact C-O 3.59Å; G74-A87 VanDerWaalsContact CA-O 3.24Å; G74-A87 WeakPolarHBondContact CA-O 3.31Å
75V90.1Very high86.8Confident1 Ų167.3 Ų67.31%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-127.1116.9163.5170.60000107.3I19 W55 K56 L57 Y77 A87 L112 I124I19-V75 HydrophobicContact CD1-CG1 4Å; I19-V75 HydrophobicContact CD1-CG2 4.2Å; W55-V75 HydrophobicContact CE3-CG1 4.17Å; K56-V75 WeakPolarHBondContact O-CA 3.46Å; L57-V75 HydrophobicContact CD1-CG2 3.89Å; V75-Y77 HydrophobicContact CG1-CD1 4.49Å; V75-A87 PolarHBondContact N-O 3.08Å; V75-A87 PolarHBondContact O-N 2.98Å; V75-L112 HydrophobicContact CB-CD2 3.89Å; V75-L112 HydrophobicContact CG2-CD2 3.68Å; V75-I124 HydrophobicContact CG2-CD1 4Å
76T89.8Confident87.4Confident2 Ų265.7 Ų65.71%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-101.2137.5171.2-45.30000109.2W55 K56 I58 E84 I85 D86W55-T76 CarbonylContact C-O 3.59Å; W55-T76 WeakPolarHBondContact CA-O 3.41Å; W55-T76 VanDerWaalsContact CB-O 3.31Å; W55-T76 WeakPolarHBondContact CB-O 3.43Å; K56-T76 WeakPolarHBondContact CE-OG1 3.39Å; K56-T76 HydrophobicContact CG-CG2 4.45Å; K56-T76 PolarHBondContact N-O 2.94Å; K56-T76 PolarHBondContact O-N 3.47Å; I58-T76 WeakPolarHBondContact CD1-OG1 3.3Å; T76-E84 HydrophobicContact CG2-CG 3.21Å; T76-E84 WeakPolarHBondContact CG2-OE1 3.47Å; T76-I85 CarbonylContact C-O 3.5Å; T76-I85 VanDerWaalsContact CA-O 3.27Å; T76-I85 WeakPolarHBondContact CA-O 3.17Å; T76-D86 WeakPolarHBondContact CB-OD1 3.03Å; T76-D86 WeakPolarHBondContact CG2-OD1 3.45Å; T76-D86 PolarHBondContact OG1-OD1 2.89Å
77Y85.7Confident87.5Confident52 Ų5259.1 Ų59.120%0.20429%0.294CS..EExtended strand (participates in β ladder)trans-147.3146.6176.967.7-77.3000113.9N54 V75 T79 I85 I122N54-Y77 CarbonylContact O-C 3.56Å; N54-Y77 WeakPolarHBondContact O-CA 2.96Å; N54-Y77 WeakPolarHBondContact O-CB 3.41Å; V75-Y77 HydrophobicContact CG1-CD1 4.49Å; Y77-T79 HydrophobicContact CE2-CG2 4.17Å; Y77-I85 HydrophobicContact CD1-CB 4.21Å; Y77-I85 HydrophobicContact CD1-CG2 4.4Å; Y77-I85 WeakPolarHBondContact CD1-O 3.46Å; Y77-I85 HydrophobicContact CE1-CB 3.71Å; Y77-I85 HydrophobicContact CE1-CG2 3.56Å; Y77-I85 HydrophobicContact CE2-CB 4.3Å; Y77-I85 HydrophobicContact CE2-CD1 4.17Å; Y77-I85 PolarHBondContact N-O 3.08Å; Y77-I85 PolarHBondContact O-N 3.46Å; Y77-I122 HydrophobicContact CD1-CD1 4.05Å; Y77-I122 HydrophobicContact CE1-CD1 3.52Å
78T83.9Confident87.6Confident49 Ų4955 Ų5530%0.30128%0.282SS..EExtended strand (participates in β ladder)trans-92.6123.5176.1-34.20000110.9N54 G82 N83N54-T78 PolarHBondContact O-N 3.28Å; T78-G82 WeakPolarHBondContact CG2-O 3.18Å; T78-N83 WeakPolarHBondContact CA-O 3.02Å
79T79.8Confident87.5Confident38 Ų3855.6 Ų55.623%0.23329%0.285CS..  trans-70.7166.5174.8640000112.7Y77 K81 G82 N83 I85Y77-T79 HydrophobicContact CE2-CG2 4.17Å; T79-K81 PolarHBondContact O-N 3Å; T79-K81 VanDerWaalsContact O-N 3.1Å; T79-K81 PolarHBondContact OG1-N 2.87Å; T79-G82 PolarHBondContact O-N 3.29Å; T79-N83 PolarHBondContact N-O 2.96Å; T79-N83 PolarHBondContact OG1-N 3.2Å; T79-N83 PolarHBondContact OG1-O 2.94Å; T79-N83 VanDerWaalsContact OG1-O 3.11Å; T79-I85 HydrophobicContact CG2-CD1 3.37Å; T79-I85 HydrophobicContact CG2-CG1 3.95Å
80I77.3Confident86.9Confident185 Ų18558.9 Ų58.995%0.94930%0.303SS*.THydrogen-bonded Turntrans-57.1-25.4173.4-58.7171.5000112.2G82I80-G82 VanDerWaalsContact C-N 3.3Å
81K81.3Confident86.3Confident188 Ų18867.7 Ų67.782%0.81734%0.336SS*.THydrogen-bonded Turntrans-81.9-3.5177.1-66.7-173.8177.3-177.50113.9T79T79-K81 PolarHBondContact O-N 3Å; T79-K81 VanDerWaalsContact O-N 3.1Å; T79-K81 PolarHBondContact OG1-N 2.87Å
82G81.8Confident85.4Confident53 Ų5367 Ų6755%0.54634%0.343SS..SBendtrans88.7-7.2-176.500000115T78 T79 I80 E84T78-G82 WeakPolarHBondContact CG2-O 3.18Å; T79-G82 PolarHBondContact O-N 3.29Å; I80-G82 VanDerWaalsContact C-N 3.3Å; G82-E84 PolarHBondContact O-N 3.19Å
83N84.4Confident84.8Confident103 Ų10362.3 Ų62.355%0.55133%0.326SS*.  trans-71.1127.8176.5-6011.7000110.2T78 T79T78-N83 WeakPolarHBondContact CA-O 3.02Å; T79-N83 PolarHBondContact N-O 2.96Å; T79-N83 PolarHBondContact OG1-N 3.2Å; T79-N83 PolarHBondContact OG1-O 2.94Å; T79-N83 VanDerWaalsContact OG1-O 3.11Å
84E87Confident84.5Confident108 Ų10863.1 Ų63.151%0.50533%0.33SS..EExtended strand (participates in β ladder)trans-73.3136.1163.7-173147.5133.500109K56 T76 G82K56-E84 IonicContact NZ-OE1 2.83Å; K56-E84 PolarHBondContact NZ-OE1 3.06Å; T76-E84 HydrophobicContact CG2-CG 3.21Å; T76-E84 WeakPolarHBondContact CG2-OE1 3.47Å; G82-E84 PolarHBondContact O-N 3.19Å
85I86.1Confident84.4Confident36 Ų3667.3 Ų67.319%0.18536%0.355CS..EExtended strand (participates in β ladder)trans-126.6125.9176.2-64.8-178.2000107.8T76 Y77 T79 V114T76-I85 CarbonylContact C-O 3.5Å; T76-I85 VanDerWaalsContact CA-O 3.27Å; T76-I85 WeakPolarHBondContact CA-O 3.17Å; Y77-I85 HydrophobicContact CD1-CB 4.21Å; Y77-I85 HydrophobicContact CD1-CG2 4.4Å; Y77-I85 WeakPolarHBondContact CD1-O 3.46Å; Y77-I85 HydrophobicContact CE1-CB 3.71Å; Y77-I85 HydrophobicContact CE1-CG2 3.56Å; Y77-I85 HydrophobicContact CE2-CB 4.3Å; Y77-I85 HydrophobicContact CE2-CD1 4.17Å; Y77-I85 PolarHBondContact N-O 3.08Å; Y77-I85 PolarHBondContact O-N 3.46Å; T79-I85 HydrophobicContact CG2-CD1 3.37Å; T79-I85 HydrophobicContact CG2-CG1 3.95Å; I85-V114 HydrophobicContact CG2-CB 4.28Å; I85-V114 HydrophobicContact CG2-CG1 3.6Å; I85-V114 HydrophobicContact CG2-CG2 3.6Å
86D91.2Very high84.4Confident78 Ų7867.3 Ų67.342%0.41736%0.355SS..EExtended strand (participates in β ladder)trans-96.4127.7170.5-72.1-53.9000110.5T76T76-D86 WeakPolarHBondContact CB-OD1 3.03Å; T76-D86 WeakPolarHBondContact CG2-OD1 3.45Å; T76-D86 PolarHBondContact OG1-OD1 2.89Å
87A90.5Very high84.4Confident0 Ų070.2 Ų70.20%037%0.374CS..EExtended strand (participates in β ladder)trans-115.5135.2166.900000109.2G74 V75 L112 F113 V114 I122G74-A87 CarbonylContact C-O 3.59Å; G74-A87 VanDerWaalsContact CA-O 3.24Å; G74-A87 WeakPolarHBondContact CA-O 3.31Å; V75-A87 PolarHBondContact N-O 3.08Å; V75-A87 PolarHBondContact O-N 2.98Å; A87-L112 HydrophobicContact CB-CB 3.93Å; A87-F113 CarbonylContact C-O 3.55Å; A87-F113 VanDerWaalsContact CA-O 3.24Å; A87-F113 WeakPolarHBondContact CA-O 3.32Å; A87-V114 HydrophobicContact CB-CG2 3.86Å; A87-I122 HydrophobicContact CB-CD1 3.79Å; A87-I122 HydrophobicContact CB-CG1 4.26Å
88N92.2Very high84.4Confident44 Ų4469.8 Ų69.824%0.23538%0.377CS..EExtended strand (participates in β ladder)trans-133.7152.9-174.8-67.6-76.6000112.2R72 L112 F113R72-N88 VanDerWaalsContact CD-OD1 3.24Å; R72-N88 WeakPolarHBondContact CD-OD1 3.29Å; R72-N88 HydrophobicContact CG-CB 4.35Å; N88-L112 WeakPolarHBondContact O-CA 3.42Å; N88-F113 PolarHBondContact N-O 2.97Å; N88-F113 PolarHBondContact O-N 2.87Å
89T89.8Confident84.4Confident12 Ų1269 Ų697%0.07438%0.378CS..  trans-73.1145.8166.251.90000111.4I73 R91 R110 L112I73-T89 HydrophobicContact CB-CG2 3.87Å; I73-T89 PolarHBondContact N-OG1 3.35Å; I73-T89 PolarHBondContact O-N 3.09Å; I73-T89 PolarHBondContact O-OG1 3.43Å; T89-R91 VanDerWaalsContact C-N 3.35Å; T89-R110 HydrophobicContact CG2-CB 3.98Å; T89-R110 HydrophobicContact CG2-CG 4.24Å; T89-L112 HydrophobicContact CG2-CD1 3.76Å; T89-L112 HydrophobicContact CG2-CG 4.01Å
90D79.4Confident84.8Confident111 Ų11167.4 Ų67.459%0.59437%0.37SS*.SBendtrans-73.1-24.5175.873.3-39.6000113.7
91R76.6Confident85.3Confident186 Ų18660.5 Ų60.570%0.70233%0.332SS*.SBendtrans-141.7155.5-171.8-68.3170-147.4-140.1-3.6113E71 T89E71-R91 CarbonylContact O-C 3.59Å; T89-R91 VanDerWaalsContact C-N 3.35Å
92G72.5Confident85.7Confident37 Ų3752 Ų5238%0.38130%0.295SS..  trans-64.9156.6171.500000114.4L70 E71L70-G92 CarbonylContact O-C 3.54Å; L70-G92 WeakPolarHBondContact O-CA 3Å; E71-G92 WeakPolarHBondContact O-CA 3.11Å; E71-G92 PolarHBondContact O-N 2.97Å
93L78.2Confident86Confident20 Ų2052.6 Ų52.611%0.10528%0.284CS..SBendtrans-85.5-43.9-175.4176.860.6000113.4L70 I73 Y102 L108 R110 M131L70-L93 HydrophobicContact CB-CB 4.19Å; L70-L93 HydrophobicContact CD2-CB 3.88Å; L70-L93 HydrophobicContact CD2-CD2 3.76Å; L70-L93 HydrophobicContact CD2-CG 4.44Å; L70-L93 HydrophobicContact CG-CB 4.18Å; L70-L93 PolarHBondContact O-N 2.99Å; I73-L93 HydrophobicContact CD1-CD2 4.48Å; L93-Y102 HydrophobicContact CD2-CE1 3.94Å; L93-Y102 HydrophobicContact CG-CE1 4.41Å; L93-L108 HydrophobicContact CD1-CD1 3.58Å; L93-L108 HydrophobicContact CD1-CD2 3.53Å; L93-L108 HydrophobicContact CD1-CG 4.15Å; L93-L108 HydrophobicContact CD2-CD2 3.53Å; L93-L108 HydrophobicContact CG-CD2 4.2Å; L93-R110 VanDerWaalsContact CD1-NH2 3.29Å; L93-M131 HydrophobicContact CD2-CE 4.33Å; L93-M131 HydrophobicContact CD2-SD 4.2Å
94F85.6Confident86Confident20 Ų2047.8 Ų47.89%0.08826%0.258CS..  trans-158.5161.3-175.460.1-109.4000109.6F61 Y68 D69 L70 I96 Y102 M131F61-F94 HydrophobicContact CE1-CZ 4.09Å; Y68-F94 HydrophobicContact CD2-CE2 4.26Å; Y68-F94 AromaticContact CE2-CE2 3.83Å; Y68-F94 HydrophobicContact CE2-CE2 3.83Å; Y68-F94 HydrophobicContact CE2-CZ 4.4Å; D69-F94 WeakPolarHBondContact CA-O 3.21Å; D69-F94 WeakPolarHBondContact CB-O 3.21Å; L70-F94 HydrophobicContact CB-CD1 4.47Å; L70-F94 HydrophobicContact CB-CE1 4.02Å; L70-F94 HydrophobicContact CB-CE2 4.21Å; L70-F94 HydrophobicContact CB-CZ 3.88Å; L70-F94 HydrophobicContact CD2-CE1 4.21Å; L70-F94 PolarHBondContact N-O 3.26Å; L70-F94 VanDerWaalsContact N-O 3.17Å; F94-I96 HydrophobicContact CD2-CB 4.49Å; F94-I96 HydrophobicContact CD2-CD1 4.12Å; F94-I96 HydrophobicContact CD2-CG1 3.86Å; F94-I96 HydrophobicContact CD2-CG2 3.99Å; F94-I96 HydrophobicContact CE2-CD1 3.78Å; F94-I96 HydrophobicContact CE2-CG1 3.81Å; F94-Y102 HydrophobicContact CB-CD2 3.63Å; F94-Y102 HydrophobicContact CB-CE2 3.71Å; F94-Y102 HydrophobicContact CB-CG 4.35Å; F94-Y102 AromaticContact CD1-CD1 3.45Å; F94-Y102 HydrophobicContact CD1-CD1 3.45Å; F94-Y102 VanDerWaalsContact CD1-CD1 3.45Å; F94-Y102 AromaticContact CD1-CD2 3.34Å; F94-Y102 HydrophobicContact CD1-CD2 3.34Å; F94-Y102 AromaticContact CD1-CE1 3.81Å; F94-Y102 HydrophobicContact CD1-CE1 3.81Å; F94-Y102 AromaticContact CD1-CE2 3.69Å; F94-Y102 HydrophobicContact CD1-CE2 3.69Å; F94-Y102 AromaticContact CD1-CG 3.17Å; F94-Y102 HydrophobicContact CD1-CG 3.17Å; F94-Y102 AromaticContact CD1-CZ 3.88Å; F94-Y102 HydrophobicContact CD2-CD2 4.41Å; F94-Y102 HydrophobicContact CD2-CG 4.45Å; F94-Y102 VanDerWaalsContact CE1-CB 3.46Å; F94-Y102 AromaticContact CE1-CD1 3.52Å; F94-Y102 HydrophobicContact CE1-CD1 3.52Å; F94-Y102 HydrophobicContact CE1-CD2 4.1Å; F94-Y102 HydrophobicContact CE1-CE1 4.19Å; F94-Y102 AromaticContact CE1-CG 3.44Å; F94-Y102 HydrophobicContact CE1-CG 3.44Å; F94-Y102 VanDerWaalsContact CE1-CG 3.44Å; F94-Y102 HydrophobicContact CG-CD1 4.45Å; F94-Y102 AromaticContact CG-CD2 3.55Å; F94-Y102 HydrophobicContact CG-CD2 3.55Å; F94-Y102 HydrophobicContact CG-CE2 4Å; F94-Y102 AromaticContact CG-CG 3.77Å; F94-Y102 HydrophobicContact CG-CG 3.77Å; F94-Y102 HydrophobicContact CZ-CG 4.2Å; F94-M131 HydrophobicContact CE1-CB 4Å; F94-M131 HydrophobicContact CE1-CG 4.46Å; F94-M131 HydrophobicContact CE1-SD 3.87Å; F94-M131 HydrophobicContact CZ-CB 3.94Å; F94-M131 HydrophobicContact CZ-SD 4.42Å
95T89.5Confident85.8Confident90 Ų9045.7 Ų45.755%0.55226%0.259SS*.EExtended strand (participates in β ladder)trans-128.1130.2164.9-500000107.7R67 Y68 D69R67-T95 HydrophobicContact CB-CG2 4.18Å; Y68-T95 CarbonylContact O-C 3.54Å; Y68-T95 WeakPolarHBondContact O-CA 3.44Å; D69-T95 HydrophobicContact CB-CG2 4.17Å
96I89Confident85.5Confident1 Ų144.5 Ų44.51%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-141.7154.1-175.558.2173000111.7R67 Y68 F94 I147R67-I96 CarbonylContact C-O 3.52Å; R67-I96 VanDerWaalsContact CA-O 3.31Å; R67-I96 WeakPolarHBondContact CA-O 3.43Å; Y68-I96 HydrophobicContact CD1-CG1 4.23Å; Y68-I96 HydrophobicContact CD2-CG1 4.24Å; Y68-I96 HydrophobicContact CE1-CD1 3.93Å; Y68-I96 HydrophobicContact CE1-CG1 3.76Å; Y68-I96 HydrophobicContact CE2-CD1 3.76Å; Y68-I96 HydrophobicContact CE2-CG1 3.78Å; Y68-I96 HydrophobicContact CG-CG1 4.47Å; Y68-I96 PolarHBondContact N-O 3.27Å; Y68-I96 PolarHBondContact O-N 3.13Å; Y68-I96 WeakPolarHBondContact OH-CD1 3.5Å; F94-I96 HydrophobicContact CD2-CB 4.49Å; F94-I96 HydrophobicContact CD2-CD1 4.12Å; F94-I96 HydrophobicContact CD2-CG1 3.86Å; F94-I96 HydrophobicContact CD2-CG2 3.99Å; F94-I96 HydrophobicContact CE2-CD1 3.78Å; F94-I96 HydrophobicContact CE2-CG1 3.81Å; I96-I147 HydrophobicContact CB-CD1 3.87Å; I96-I147 HydrophobicContact CG2-CB 3.82Å; I96-I147 HydrophobicContact CG2-CD1 3.59Å; I96-I147 HydrophobicContact CG2-CG1 4.23Å; I96-I147 HydrophobicContact CG2-CG2 3.85Å
97P90.5Very high85Confident63 Ų6347.7 Ų47.741%0.40926%0.26SS..EExtended strand (participates in β ladder)trans-62.6147.5176.7-21.334000112.6E66 G99 G100 I147E66-P97 WeakPolarHBondContact O-CA 3.34Å; P97-G99 PolarHBondContact O-N 3.06Å; P97-G100 PolarHBondContact O-N 3.16Å; P97-I147 VanDerWaalsContact CD-CD1 3.46Å; P97-I147 HydrophobicContact CG-CD1 4.46Å
98V85.8Confident84.6Confident43 Ų4348 Ų4826%0.26126%0.261SS..THydrogen-bonded Turntrans-57.7136.9170.5175.50000109.7E63 E66 Y68 G100E63-V98 HydrophobicContact CG-CG2 3.99Å; E63-V98 VanDerWaalsContact OE1-CG2 3.32Å; E63-V98 WeakPolarHBondContact OE1-CG2 3.31Å; E66-V98 PolarHBondContact O-N 3.48Å; Y68-V98 HydrophobicContact CD1-CG2 4.3Å; V98-G100 PolarHBondContact O-N 3.4Å
99G83.7Confident84.2Confident33 Ų3348.7 Ų48.734%0.3426%0.263SS..THydrogen-bonded Turntrans77.7-2.1-172.600000115.3P97 M143 G144P97-G99 PolarHBondContact O-N 3.06Å; G99-M143 VanDerWaalsContact O-O 3.11Å; G99-G144 WeakPolarHBondContact O-CA 3.45Å
100G87.7Confident84Confident5 Ų551.6 Ų51.65%0.05227%0.273CS..  trans-91.317416300000112.6Y68 P97 V98 H145Y68-G100 PolarHBondContact OH-O 3.06Å; P97-G100 PolarHBondContact O-N 3.16Å; V98-G100 PolarHBondContact O-N 3.4Å; G100-H145 WeakPolarHBondContact CA-O 3.39Å
101Y89.4Confident84.3Confident39 Ų3950.3 Ų50.315%0.15326%0.263CS..EExtended strand (participates in β ladder)trans-139.1149.8173.172.2-84.9000112E103 M131 F142 H145 A146 I147Y101-E103 HydrophobicContact CD2-CB 4.43Å; Y101-E103 HydrophobicContact CE2-CB 4.08Å; Y101-E103 WeakPolarHBondContact CE2-OE2 3.33Å; Y101-E103 PolarHBondContact OH-OE2 3.32Å; Y101-M131 WeakPolarHBondContact CB-O 3.26Å; Y101-F142 HydrophobicContact CD1-CB 3.94Å; Y101-F142 HydrophobicContact CD2-CB 4.1Å; Y101-F142 AromaticContact CD2-CD1 4Å; Y101-F142 HydrophobicContact CD2-CD1 4Å; Y101-F142 HydrophobicContact CD2-CG 4.15Å; Y101-F142 HydrophobicContact CE1-CB 3.99Å; Y101-F142 HydrophobicContact CE2-CB 4.15Å; Y101-F142 HydrophobicContact CE2-CG 4.43Å; Y101-F142 HydrophobicContact CG-CB 3.98Å; Y101-F142 AromaticContact CG-CD1 3.96Å; Y101-F142 HydrophobicContact CG-CD1 3.96Å; Y101-F142 HydrophobicContact CG-CG 4.28Å; Y101-H145 PolarHBondContact N-O 2.97Å; Y101-H145 VanDerWaalsContact N-O 3.1Å; Y101-A146 HydrophobicContact CE1-CB 3.9Å; Y101-A146 HydrophobicContact CE2-CB 3.93Å; Y101-A146 CarbonylContact O-C 3.59Å; Y101-A146 WeakPolarHBondContact O-CA 3.39Å; Y101-I147 PolarHBondContact O-N 2.98Å
102Y88.6Confident84.9Confident9 Ų941.4 Ų41.44%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-86.9137176.1176.8-102.2000110.2L93 F94 C104 S130 M131 C149L93-Y102 HydrophobicContact CD2-CE1 3.94Å; L93-Y102 HydrophobicContact CG-CE1 4.41Å; F94-Y102 HydrophobicContact CB-CD2 3.63Å; F94-Y102 HydrophobicContact CB-CE2 3.71Å; F94-Y102 HydrophobicContact CB-CG 4.35Å; F94-Y102 AromaticContact CD1-CD1 3.45Å; F94-Y102 HydrophobicContact CD1-CD1 3.45Å; F94-Y102 VanDerWaalsContact CD1-CD1 3.45Å; F94-Y102 AromaticContact CD1-CD2 3.34Å; F94-Y102 HydrophobicContact CD1-CD2 3.34Å; F94-Y102 AromaticContact CD1-CE1 3.81Å; F94-Y102 HydrophobicContact CD1-CE1 3.81Å; F94-Y102 AromaticContact CD1-CE2 3.69Å; F94-Y102 HydrophobicContact CD1-CE2 3.69Å; F94-Y102 AromaticContact CD1-CG 3.17Å; F94-Y102 HydrophobicContact CD1-CG 3.17Å; F94-Y102 AromaticContact CD1-CZ 3.88Å; F94-Y102 HydrophobicContact CD2-CD2 4.41Å; F94-Y102 HydrophobicContact CD2-CG 4.45Å; F94-Y102 VanDerWaalsContact CE1-CB 3.46Å; F94-Y102 AromaticContact CE1-CD1 3.52Å; F94-Y102 HydrophobicContact CE1-CD1 3.52Å; F94-Y102 HydrophobicContact CE1-CD2 4.1Å; F94-Y102 HydrophobicContact CE1-CE1 4.19Å; F94-Y102 AromaticContact CE1-CG 3.44Å; F94-Y102 HydrophobicContact CE1-CG 3.44Å; F94-Y102 VanDerWaalsContact CE1-CG 3.44Å; F94-Y102 HydrophobicContact CG-CD1 4.45Å; F94-Y102 AromaticContact CG-CD2 3.55Å; F94-Y102 HydrophobicContact CG-CD2 3.55Å; F94-Y102 HydrophobicContact CG-CE2 4Å; F94-Y102 AromaticContact CG-CG 3.77Å; F94-Y102 HydrophobicContact CG-CG 3.77Å; F94-Y102 HydrophobicContact CZ-CG 4.2Å; Y102-C104 HydrophobicContact CE1-CB 3.95Å; Y102-S130 CarbonylContact O-C 3.51Å; Y102-S130 VanDerWaalsContact O-CA 3.23Å; Y102-S130 WeakPolarHBondContact O-CA 3.11Å; Y102-M131 PolarHBondContact N-O 3.25Å; Y102-M131 PolarHBondContact O-N 2.81Å; Y102-C149 HydrophobicContact CE2-CB 3.96Å; Y102-C149 WeakPolarHBondContact OH-CB 3.17Å
103E88.2Confident85.7Confident67 Ų6743.5 Ų43.531%0.31323%0.229SC..EExtended strand (participates in β ladder)trans-131.6135.4176.3-170.5166.9177.900111.7Y101 I147 D148 C149Y101-E103 HydrophobicContact CD2-CB 4.43Å; Y101-E103 HydrophobicContact CE2-CB 4.08Å; Y101-E103 WeakPolarHBondContact CE2-OE2 3.33Å; Y101-E103 PolarHBondContact OH-OE2 3.32Å; E103-I147 PolarHBondContact N-O 2.58Å; E103-D148 CarbonylContact O-C 3.55Å; E103-D148 WeakPolarHBondContact O-CA 3.41Å; E103-C149 PolarHBondContact O-N 3.36Å
104C85.3Confident86.1Confident1 Ų143.4 Ų43.41%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-14199.5173.5-1620000111.2Y102 S106 N128 S129 C149Y102-C104 HydrophobicContact CE1-CB 3.95Å; C104-S106 PolarHBondContact O-N 3.05Å; C104-N128 CarbonylContact O-C 3.59Å; C104-N128 VanDerWaalsContact O-CA 3.31Å; C104-N128 WeakPolarHBondContact O-CA 3.36Å; C104-S129 PolarHBondContact N-O 2.89Å; C104-S129 PolarHBondContact O-N 2.86Å; C104-C149 WeakPolarHBondContact CA-SG 3.35Å; C104-C149 HydrophobicContact CB-CB 3.51Å; C104-C149 WeakPolarHBondContact CB-SG 3.41Å; C104-C149 WeakPolarHBondContact SG-CB 2.94Å; C104-C149 CovalentContact SG-SG 2.04Å; C104-C149 PolarHBondContact SG-SG 3.28Å
105A81.4Confident86Confident65 Ų6550.2 Ų50.254%0.53726%0.261SS..  trans-72-0.4171.600000113.9N128A105-N128 PolarHBondContact O-OD1 2.86Å
106S80.6Confident85.6Confident10 Ų1053.8 Ų53.87%0.0728%0.277CS..SBendtrans-102.7160176.3-71.30000111.5C104 L108C104-S106 PolarHBondContact O-N 3.05Å; S106-L108 PolarHBondContact O-N 3.16Å
107R80.6Confident85.3Confident146 Ų14656.3 Ų56.355%0.55129%0.29SS*.  trans-63.7109.3168.4-177.9-176.378.2173.16.9109.6Y125 F126 L127R107-Y125 HydrophobicContact CG-CD1 3.95Å; R107-F126 WeakPolarHBondContact CA-O 3.43Å; R107-L127 HydrophobicContact CB-CD2 3.79Å; R107-L127 HydrophobicContact CG-CD2 3.71Å
108L80.9Confident84.6Confident5 Ų560.9 Ų60.93%0.02631%0.311CS..EExtended strand (participates in β ladder)trans-82.1139168.7174.167.4000109.2L93 S106 Y125 F126L93-L108 HydrophobicContact CD1-CD1 3.58Å; L93-L108 HydrophobicContact CD1-CD2 3.53Å; L93-L108 HydrophobicContact CD1-CG 4.15Å; L93-L108 HydrophobicContact CD2-CD2 3.53Å; L93-L108 HydrophobicContact CG-CD2 4.2Å; S106-L108 PolarHBondContact O-N 3.16Å; L108-Y125 CarbonylContact O-C 3.58Å; L108-Y125 VanDerWaalsContact O-CA 3.3Å; L108-Y125 WeakPolarHBondContact O-CA 3.35Å; L108-F126 HydrophobicContact CB-CB 4.2Å; L108-F126 HydrophobicContact CB-CD2 4.42Å; L108-F126 HydrophobicContact CD2-CB 4.41Å; L108-F126 HydrophobicContact CD2-CD2 3.73Å; L108-F126 HydrophobicContact CD2-CE2 4.38Å; L108-F126 HydrophobicContact CD2-CG 4.32Å; L108-F126 HydrophobicContact CG-CD2 4.07Å; L108-F126 PolarHBondContact N-O 2.96Å; L108-F126 PolarHBondContact O-N 2.91Å
109H84Confident84.2Confident59 Ų5965 Ų6527%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-126.1137.6178.1174.337.1000109.8N123 I124 Y125H109-N123 PolarHBondContact CE1-OD1 2.66Å; H109-I124 WeakPolarHBondContact CA-O 3.21Å; H109-I124 PolarHBondContact ND1-O 3.1Å; H109-Y125 HydrophobicContact CB-CD1 3.7Å; H109-Y125 HydrophobicContact CB-CE1 3.56Å; H109-Y125 AromaticContact CD2-CE1 3.99Å; H109-Y125 AromaticContact CE1-CE1 3.84Å; H109-Y125 AromaticContact CE1-CZ 3.68Å; H109-Y125 PolarHBondContact CE1-OH 3.34Å; H109-Y125 AromaticContact CG-CD1 3.86Å; H109-Y125 AromaticContact CG-CE1 3.29Å; H109-Y125 AromaticContact CG-CZ 3.95Å; H109-Y125 AromaticContact ND1-CD1 3.71Å; H109-Y125 AromaticContact ND1-CE1 3.17Å; H109-Y125 WeakPolarHBondContact ND1-CE1 3.5Å; H109-Y125 AromaticContact ND1-CZ 3.43Å
110R85.5Confident84Confident73 Ų7364.8 Ų64.828%0.27532%0.322SS..EExtended strand (participates in β ladder)trans-135.8146.5168.4-71.5-69.1177.8-9918.2110.3I73 T89 L93 L112 I124I73-R110 HydrophobicContact CD1-CG 4.33Å; T89-R110 HydrophobicContact CG2-CB 3.98Å; T89-R110 HydrophobicContact CG2-CG 4.24Å; L93-R110 VanDerWaalsContact CD1-NH2 3.29Å; R110-L112 HydrophobicContact CB-CD1 4.1Å; R110-I124 HydrophobicContact CB-CG2 3.67Å; R110-I124 PolarHBondContact N-O 3.29Å; R110-I124 PolarHBondContact O-N 3.46Å
111E86.9Confident83.7Confident84 Ų8467.3 Ų67.339%0.39333%0.334SS..EExtended strand (participates in β ladder)trans-99.9134.2168.2-66.5171.1162.400107.1F113 M121E111-F113 HydrophobicContact CB-CE1 4.35Å; E111-F113 HydrophobicContact CB-CE2 4.07Å; E111-F113 HydrophobicContact CB-CZ 3.68Å; E111-M121 HydrophobicContact CB-CG 4.25Å; E111-M121 HydrophobicContact CB-SD 4.16Å; E111-M121 HydrophobicContact CG-CE 4.47Å; E111-M121 HydrophobicContact CG-CG 4.44Å; E111-M121 HydrophobicContact CG-SD 3.94Å
112L89Confident83.4Confident0 Ų065.7 Ų65.70%033%0.327CS..EExtended strand (participates in β ladder)trans-118132.2177-77.668.6000107.8V75 A87 N88 T89 R110 I122 I124V75-L112 HydrophobicContact CB-CD2 3.89Å; V75-L112 HydrophobicContact CG2-CD2 3.68Å; A87-L112 HydrophobicContact CB-CB 3.93Å; N88-L112 WeakPolarHBondContact O-CA 3.42Å; T89-L112 HydrophobicContact CG2-CD1 3.76Å; T89-L112 HydrophobicContact CG2-CG 4.01Å; R110-L112 HydrophobicContact CB-CD1 4.1Å; L112-I122 HydrophobicContact CB-CB 4.14Å; L112-I122 PolarHBondContact N-O 3.16Å; L112-I122 PolarHBondContact O-N 3.27Å; L112-I124 HydrophobicContact CD1-CB 4.14Å; L112-I124 HydrophobicContact CD1-CG2 3.47Å; L112-I124 VanDerWaalsContact CD1-CG2 3.47Å
113F88.9Confident83.2Confident81 Ų8166 Ų6636%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-110.4141.6-175-53.4-79.9000109.8A87 N88 E111 M121A87-F113 CarbonylContact C-O 3.55Å; A87-F113 VanDerWaalsContact CA-O 3.24Å; A87-F113 WeakPolarHBondContact CA-O 3.32Å; N88-F113 PolarHBondContact N-O 2.97Å; N88-F113 PolarHBondContact O-N 2.87Å; E111-F113 HydrophobicContact CB-CE1 4.35Å; E111-F113 HydrophobicContact CB-CE2 4.07Å; E111-F113 HydrophobicContact CB-CZ 3.68Å; F113-M121 HydrophobicContact CD1-CG 4.47Å; F113-M121 HydrophobicContact CE1-CG 4.12Å; F113-M121 HydrophobicContact CE1-SD 3.99Å
114V87.3Confident83.1Confident17 Ų1762.8 Ų62.810%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-87.2128.7173.4176.50000108.4I85 A87 D116 N117 I120I85-V114 HydrophobicContact CG2-CB 4.28Å; I85-V114 HydrophobicContact CG2-CG1 3.6Å; I85-V114 HydrophobicContact CG2-CG2 3.6Å; A87-V114 HydrophobicContact CB-CG2 3.86Å; V114-D116 PolarHBondContact O-N 2.83Å; V114-N117 HydrophobicContact CB-CB 4.23Å; V114-N117 HydrophobicContact CG1-CB 4.03Å; V114-N117 PolarHBondContact O-N 3.18Å; V114-N117 VanDerWaalsContact O-N 3.07Å; V114-I120 HydrophobicContact CB-CB 4.37Å; V114-I120 HydrophobicContact CG2-CB 3.99Å; V114-I120 HydrophobicContact CG2-CG2 3.7Å
115E83.4Confident83Confident163 Ų16364.1 Ų64.176%0.76232%0.32SS*.THydrogen-bonded Turntrans-57.9137.8175.9-165164.7-163.800110N117E115-N117 PolarHBondContact O-N 3.01Å; E115-N117 VanDerWaalsContact O-N 3.15Å
116D81.6Confident83Confident166 Ų16661.2 Ų61.289%0.88830%0.295SS*.THydrogen-bonded Turntrans57.615.5-172.2-56.7-37.4000116.5V114V114-D116 PolarHBondContact O-N 2.83Å
117N81.2Confident82.9Confident54 Ų5463.5 Ų63.529%0.28931%0.306SS..EExtended strand (participates in β ladder)trans-145.878.7178.4-163.8-9.9000115.6V114 E115 N119 I120V114-N117 HydrophobicContact CB-CB 4.23Å; V114-N117 HydrophobicContact CG1-CB 4.03Å; V114-N117 PolarHBondContact O-N 3.18Å; V114-N117 VanDerWaalsContact O-N 3.07Å; E115-N117 PolarHBondContact O-N 3.01Å; E115-N117 VanDerWaalsContact O-N 3.15Å; N117-N119 PolarHBondContact O-N 3.23Å; N117-N119 WeakPolarHBondContact OD1-CB 3.25Å; N117-N119 PolarHBondContact OD1-N 3.5Å; N117-I120 VanDerWaalsContact ND2-CD1 3.27Å; N117-I120 WeakPolarHBondContact ND2-CD1 3.44Å; N117-I120 PolarHBondContact O-N 2.74Å
118D77Confident82.8Confident158 Ų15861.5 Ų61.585%0.84531%0.306SS*.EExtended strand (participates in β ladder)trans-57.1-13.9175.4-57.6-32000115
119N78Confident82.8Confident131 Ų13161.6 Ų61.670%0.70131%0.307SS*.EExtended strand (participates in β ladder)trans-84.3-7.9178.4-57.3-73.4000113.4T15 N117T15-N119 PolarHBondContact OG1-O 3.17Å; N117-N119 PolarHBondContact O-N 3.23Å; N117-N119 WeakPolarHBondContact OD1-CB 3.25Å; N117-N119 PolarHBondContact OD1-N 3.5Å
120I78.6Confident82.9Confident27 Ų2759.8 Ų59.814%0.13830%0.302CS..EExtended strand (participates in β ladder)trans-113.9114.6178.5-58.3-178.3000109.6V114 N117 I122V114-I120 HydrophobicContact CB-CB 4.37Å; V114-I120 HydrophobicContact CG2-CB 3.99Å; V114-I120 HydrophobicContact CG2-CG2 3.7Å; N117-I120 VanDerWaalsContact ND2-CD1 3.27Å; N117-I120 WeakPolarHBondContact ND2-CD1 3.44Å; N117-I120 PolarHBondContact O-N 2.74Å; I120-I122 HydrophobicContact CG2-CG1 4.48Å
121M81.7Confident82.8Confident59 Ų5956.8 Ų56.829%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-122.8124.2175.4-171.517275.500110S16 S17 E111 F113S16-M121 WeakPolarHBondContact CA-O 3.4Å; S17-M121 PolarHBondContact N-O 3.41Å; E111-M121 HydrophobicContact CB-CG 4.25Å; E111-M121 HydrophobicContact CB-SD 4.16Å; E111-M121 HydrophobicContact CG-CE 4.47Å; E111-M121 HydrophobicContact CG-CG 4.44Å; E111-M121 HydrophobicContact CG-SD 3.94Å; F113-M121 HydrophobicContact CD1-CG 4.47Å; F113-M121 HydrophobicContact CE1-CG 4.12Å; F113-M121 HydrophobicContact CE1-SD 3.99Å
122I83.6Confident82.8Confident4 Ų453.9 Ų53.92%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-102.3116.4177.2-60.1-172.1000108.8S17 I19 Y77 A87 L112 I120S17-I122 CarbonylContact O-C 3.53Å; S17-I122 WeakPolarHBondContact O-CA 3.28Å; I19-I122 HydrophobicContact CD1-CG2 3.77Å; I19-I122 HydrophobicContact CG1-CG2 4.24Å; Y77-I122 HydrophobicContact CD1-CD1 4.05Å; Y77-I122 HydrophobicContact CE1-CD1 3.52Å; A87-I122 HydrophobicContact CB-CD1 3.79Å; A87-I122 HydrophobicContact CB-CG1 4.26Å; L112-I122 HydrophobicContact CB-CB 4.14Å; L112-I122 PolarHBondContact N-O 3.16Å; L112-I122 PolarHBondContact O-N 3.27Å; I120-I122 HydrophobicContact CG2-CG1 4.48Å
123N84.4Confident82.6Confident15 Ų1554.1 Ų54.18%0.0828%0.279CS..EExtended strand (participates in β ladder)trans-90.7114.6178.5-68.1-76.1000109.1S17 T18 I19 H109 Y125S17-N123 PolarHBondContact O-N 3.43Å; T18-N123 CarbonylContact C-O 2.96Å; T18-N123 WeakPolarHBondContact CA-O 3.31Å; T18-N123 HydrophobicContact CG2-CB 4.45Å; I19-N123 PolarHBondContact N-O 2.7Å; H109-N123 PolarHBondContact CE1-OD1 2.66Å; N123-Y125 HydrophobicContact CB-CE2 4.11Å
124I84.4Confident82.3Confident0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-108139175-155.6164.7000110.7I19 L21 L57 V75 H109 R110 L112 F126I19-I124 HydrophobicContact CB-CG1 4.24Å; I19-I124 HydrophobicContact CG2-CG1 4.36Å; I19-I124 WeakPolarHBondContact O-CA 3.34Å; L21-I124 HydrophobicContact CD1-CD1 3.44Å; L21-I124 VanDerWaalsContact CD1-CD1 3.44Å; L21-I124 HydrophobicContact CD1-CG1 3.83Å; L21-I124 HydrophobicContact CG-CD1 4.19Å; L21-I124 HydrophobicContact CG-CG1 4.18Å; L57-I124 HydrophobicContact CD1-CD1 3.54Å; V75-I124 HydrophobicContact CG2-CD1 4Å; H109-I124 WeakPolarHBondContact CA-O 3.21Å; H109-I124 PolarHBondContact ND1-O 3.1Å; R110-I124 HydrophobicContact CB-CG2 3.67Å; R110-I124 PolarHBondContact N-O 3.29Å; R110-I124 PolarHBondContact O-N 3.46Å; L112-I124 HydrophobicContact CD1-CB 4.14Å; L112-I124 HydrophobicContact CD1-CG2 3.47Å; L112-I124 VanDerWaalsContact CD1-CG2 3.47Å; I124-F126 HydrophobicContact CD1-CZ 4.05Å; I124-F126 HydrophobicContact CG1-CE2 4.37Å; I124-F126 HydrophobicContact CG1-CZ 4.31Å; I124-F126 HydrophobicContact CG2-CE2 3.76Å; I124-F126 HydrophobicContact CG2-CZ 4.26Å
125Y83.1Confident81.8Confident30 Ų3054.5 Ų54.512%0.11828%0.277CS..EExtended strand (participates in β ladder)trans-126.6122.7177.1-64.6-78.5000110.4T18 I19 Y20 L21 R107 L108 H109 N123T18-Y125 HydrophobicContact CG2-CD2 3.71Å; T18-Y125 HydrophobicContact CG2-CE2 3.57Å; I19-Y125 PolarHBondContact O-N 3.34Å; Y20-Y125 AromaticContact CD1-CD2 3.93Å; Y20-Y125 HydrophobicContact CD1-CD2 3.93Å; Y20-Y125 HydrophobicContact CD1-CG 4.19Å; Y20-Y125 AromaticContact CE1-CD2 3.51Å; Y20-Y125 HydrophobicContact CE1-CD2 3.51Å; Y20-Y125 HydrophobicContact CE1-CE2 4.17Å; Y20-Y125 AromaticContact CE1-CG 3.98Å; Y20-Y125 HydrophobicContact CE1-CG 3.98Å; L21-Y125 WeakPolarHBondContact CA-O 3.3Å; L21-Y125 PolarHBondContact N-O 3.31Å; R107-Y125 HydrophobicContact CG-CD1 3.95Å; L108-Y125 CarbonylContact O-C 3.58Å; L108-Y125 VanDerWaalsContact O-CA 3.3Å; L108-Y125 WeakPolarHBondContact O-CA 3.35Å; H109-Y125 HydrophobicContact CB-CD1 3.7Å; H109-Y125 HydrophobicContact CB-CE1 3.56Å; H109-Y125 AromaticContact CD2-CE1 3.99Å; H109-Y125 AromaticContact CE1-CE1 3.84Å; H109-Y125 AromaticContact CE1-CZ 3.68Å; H109-Y125 PolarHBondContact CE1-OH 3.34Å; H109-Y125 AromaticContact CG-CD1 3.86Å; H109-Y125 AromaticContact CG-CE1 3.29Å; H109-Y125 AromaticContact CG-CZ 3.95Å; H109-Y125 AromaticContact ND1-CD1 3.71Å; H109-Y125 AromaticContact ND1-CE1 3.17Å; H109-Y125 WeakPolarHBondContact ND1-CE1 3.5Å; H109-Y125 AromaticContact ND1-CZ 3.43Å; N123-Y125 HydrophobicContact CB-CE2 4.11Å
126F81.7Confident81.2Confident4 Ų454.4 Ų54.42%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-100.5138.8170.5-51.5-96000109.5L21 F59 I73 R107 L108 I124 M131L21-F126 HydrophobicContact CB-CD1 4.01Å; L21-F126 HydrophobicContact CB-CE1 4.38Å; L21-F126 HydrophobicContact CD1-CD1 3.8Å; L21-F126 HydrophobicContact CD1-CE1 3.33Å; L21-F126 HydrophobicContact CD1-CZ 3.96Å; F59-F126 AromaticContact CE1-CE1 3.84Å; F59-F126 HydrophobicContact CE1-CE1 3.84Å; F59-F126 HydrophobicContact CE1-CZ 4.03Å; F59-F126 AromaticContact CZ-CE1 3.84Å; F59-F126 HydrophobicContact CZ-CE1 3.84Å; F59-F126 HydrophobicContact CZ-CZ 4.4Å; I73-F126 HydrophobicContact CD1-CE2 3.86Å; I73-F126 HydrophobicContact CD1-CZ 3.9Å; I73-F126 HydrophobicContact CG2-CZ 4.01Å; R107-F126 WeakPolarHBondContact CA-O 3.43Å; L108-F126 HydrophobicContact CB-CB 4.2Å; L108-F126 HydrophobicContact CB-CD2 4.42Å; L108-F126 HydrophobicContact CD2-CB 4.41Å; L108-F126 HydrophobicContact CD2-CD2 3.73Å; L108-F126 HydrophobicContact CD2-CE2 4.38Å; L108-F126 HydrophobicContact CD2-CG 4.32Å; L108-F126 HydrophobicContact CG-CD2 4.07Å; L108-F126 PolarHBondContact N-O 2.96Å; L108-F126 PolarHBondContact O-N 2.91Å; I124-F126 HydrophobicContact CD1-CZ 4.05Å; I124-F126 HydrophobicContact CG1-CE2 4.37Å; I124-F126 HydrophobicContact CG1-CZ 4.31Å; I124-F126 HydrophobicContact CG2-CE2 3.76Å; I124-F126 HydrophobicContact CG2-CZ 4.26Å; F126-M131 HydrophobicContact CD1-CE 4.36Å; F126-M131 HydrophobicContact CE1-CE 4.36Å
127L78.5Confident80.6Confident58 Ų5852.5 Ų52.530%0.30427%0.267SS..SBendtrans-115.7131.5174.7-59.4177.9000109.3L21 N22 R107 S129L21-L127 PolarHBondContact O-N 2.87Å; N22-L127 HydrophobicContact CB-CD1 4.13Å; R107-L127 HydrophobicContact CB-CD2 3.79Å; R107-L127 HydrophobicContact CG-CD2 3.71Å; L127-S129 PolarHBondContact O-N 2.86Å
128N79.8Confident80.2Confident103 Ų10358.2 Ų58.255%0.55130%0.297SS*.SBendtrans47.558.4176.5-58.5-8.5000111.9C104 A105C104-N128 CarbonylContact O-C 3.59Å; C104-N128 VanDerWaalsContact O-CA 3.31Å; C104-N128 WeakPolarHBondContact O-CA 3.36Å; A105-N128 PolarHBondContact O-OD1 2.86Å
129S80.4Confident79.9Confident7 Ų753.3 Ų53.35%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-91.6126.1-171.759.40000111.8C104 L127C104-S129 PolarHBondContact N-O 2.89Å; C104-S129 PolarHBondContact O-N 2.86Å; L127-S129 PolarHBondContact O-N 2.86Å
130S84.8Confident79.6Confident22 Ų2258 Ų5815%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-118.5132.6166.9-48.30000109.4Y102 F142Y102-S130 CarbonylContact O-C 3.51Å; Y102-S130 VanDerWaalsContact O-CA 3.23Å; Y102-S130 WeakPolarHBondContact O-CA 3.11Å; S130-F142 VanDerWaalsContact CB-CZ 3.49Å; S130-F142 WeakPolarHBondContact O-CZ 3.42Å
131M85.2Confident79.7Confident9 Ų963.9 Ų63.94%0.04430%0.302CS..EExtended strand (participates in β ladder)trans-133.4132.4-175.6-61.6-174.5-17400110.7L2 F59 L70 L93 F94 Y101 Y102 F126L2-M131 HydrophobicContact CD2-CE 4.48Å; F59-M131 HydrophobicContact CE1-CE 3.82Å; F59-M131 HydrophobicContact CE1-SD 4.47Å; F59-M131 HydrophobicContact CZ-CE 4.44Å; L70-M131 HydrophobicContact CD2-CE 4.46Å; L70-M131 HydrophobicContact CD2-SD 3.67Å; L93-M131 HydrophobicContact CD2-CE 4.33Å; L93-M131 HydrophobicContact CD2-SD 4.2Å; F94-M131 HydrophobicContact CE1-CB 4Å; F94-M131 HydrophobicContact CE1-CG 4.46Å; F94-M131 HydrophobicContact CE1-SD 3.87Å; F94-M131 HydrophobicContact CZ-CB 3.94Å; F94-M131 HydrophobicContact CZ-SD 4.42Å; Y101-M131 WeakPolarHBondContact CB-O 3.26Å; Y102-M131 PolarHBondContact N-O 3.25Å; Y102-M131 PolarHBondContact O-N 2.81Å; F126-M131 HydrophobicContact CD1-CE 4.36Å; F126-M131 HydrophobicContact CE1-CE 4.36Å
132E85.1Confident79.4Confident24 Ų2463.4 Ų63.411%0.11230%0.298CS..  trans-140.7130.2176.2-175.1-176.3177.200107.8Y68 R135 R139 F142Y68-E132 VanDerWaalsContact OH-CA 3.31Å; Y68-E132 WeakPolarHBondContact OH-CA 3.18Å; E132-R135 HydrophobicContact CG-CG 4Å; E132-R135 WeakPolarHBondContact OE1-CG 3.43Å; E132-R135 IonicContact OE1-NE 2.64Å; E132-R135 PolarHBondContact OE1-NE 2.96Å; E132-R135 IonicContact OE2-CZ 3.98Å; E132-R135 IonicContact OE2-NE 2.66Å; E132-R135 PolarHBondContact OE2-NE 2.04Å; E132-R135 IonicContact OE2-NH2 3.43Å; E132-R135 PolarHBondContact OE2-NH2 2.88Å; E132-R139 IonicContact OE1-CZ 3.13Å; E132-R139 IonicContact OE1-NE 3.52Å; E132-R139 PolarHBondContact OE1-NE 3.38Å; E132-R139 IonicContact OE1-NH2 2.67Å; E132-R139 PolarHBondContact OE1-NH2 2.83Å; E132-F142 HydrophobicContact CB-CD1 3.63Å; E132-F142 HydrophobicContact CB-CE1 3.62Å; E132-F142 HydrophobicContact CG-CD1 4.48Å; E132-F142 WeakPolarHBondContact OE2-CD1 3.35Å
133A85.2Confident78.8Confident5 Ų568.1 Ų68.14%0.04132%0.321CS..  trans-119.8172.517400000109.8L42 F61 Y68 R135L42-A133 HydrophobicContact CD2-CB 3.86Å; F61-A133 HydrophobicContact CB-CB 4.2Å; F61-A133 HydrophobicContact CD1-CB 3.88Å; F61-A133 HydrophobicContact CD2-CB 4.22Å; F61-A133 HydrophobicContact CE1-CB 4.26Å; F61-A133 HydrophobicContact CG-CB 3.85Å; Y68-A133 HydrophobicContact CD2-CB 3.79Å; Y68-A133 HydrophobicContact CE2-CB 3.58Å; Y68-A133 HydrophobicContact CG-CB 4.44Å; Y68-A133 PolarHBondContact OH-N 3.33Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 2.9Å
134F83.4Confident78.6Confident32 Ų3269.9 Ų69.914%0.1434%0.343CS..SBendtrans50.146.3173.2-51.2-77.6000114Q40 L42 F61 E63 Y68 L136Q40-F134 HydrophobicContact CB-CD1 4.4Å; Q40-F134 HydrophobicContact CB-CE1 3.81Å; L42-F134 HydrophobicContact CB-CE1 3.72Å; L42-F134 HydrophobicContact CB-CE2 4.27Å; L42-F134 HydrophobicContact CB-CZ 3.53Å; F61-F134 HydrophobicContact CB-CE2 3.71Å; F61-F134 HydrophobicContact CB-CZ 4.15Å; E63-F134 HydrophobicContact CB-CD1 4.05Å; E63-F134 HydrophobicContact CB-CD2 3.83Å; E63-F134 HydrophobicContact CB-CE1 3.86Å; E63-F134 HydrophobicContact CB-CE2 3.64Å; E63-F134 HydrophobicContact CB-CG 4.03Å; E63-F134 HydrophobicContact CB-CZ 3.65Å; E63-F134 HydrophobicContact CG-CD2 4.48Å; E63-F134 HydrophobicContact CG-CG 4.4Å; E63-F134 WeakPolarHBondContact OE2-CD1 3.07Å; E63-F134 VanDerWaalsContact OE2-CG 3.25Å; E63-F134 WeakPolarHBondContact OE2-CG 3.16Å; Y68-F134 HydrophobicContact CD1-CD2 4.19Å; Y68-F134 HydrophobicContact CD2-CD2 4.18Å; Y68-F134 HydrophobicContact CD2-CE2 4.4Å; Y68-F134 AromaticContact CG-CD2 3.76Å; Y68-F134 HydrophobicContact CG-CD2 3.76Å; Y68-F134 HydrophobicContact CG-CE2 4.18Å; F134-L136 PolarHBondContact O-N 2.99Å
135R76.5Confident78.5Confident74 Ų7477.8 Ų77.828%0.27938%0.38SS..  trans-67.4122.1175.8-73.4-175.9170.9-177.1-3.6110.5E132 A133 E137 R139 R140 E141E132-R135 HydrophobicContact CG-CG 4Å; E132-R135 WeakPolarHBondContact OE1-CG 3.43Å; E132-R135 IonicContact OE1-NE 2.64Å; E132-R135 PolarHBondContact OE1-NE 2.96Å; E132-R135 IonicContact OE2-CZ 3.98Å; E132-R135 IonicContact OE2-NE 2.66Å; E132-R135 PolarHBondContact OE2-NE 2.04Å; E132-R135 IonicContact OE2-NH2 3.43Å; E132-R135 PolarHBondContact OE2-NH2 2.88Å; A133-R135 VanDerWaalsContact C-N 3.31Å; A133-R135 PolarHBondContact O-N 2.9Å; R135-E137 PolarHBondContact O-N 3.45Å; R135-R139 PolarHBondContact NH1-O 2.67Å; R135-R140 PolarHBondContact NH1-O 3.45Å; R135-R140 PolarHBondContact NH2-O 2.75Å; R135-E141 PolarHBondContact NH2-O 3.22Å
136L69.8Low78.8Confident160 Ų16078.6 Ų78.684%0.83839%0.393SS*.SBendtrans-66.4-23.6172-62.6175.4000113.5F134F134-L136 PolarHBondContact O-N 2.99Å
137E70.5Confident79Confident126 Ų12681.4 Ų81.459%0.58941%0.408SS*.SBendtrans-129.6148.5-174.1-65.2177.2164.600111.9R135 R139R135-E137 PolarHBondContact O-N 3.45Å; E137-R139 PolarHBondContact O-N 2.64Å; E137-R139 IonicContact OE2-NH1 2.7Å
138N71.3Confident79.3Confident174 Ų17482 Ų8293%0.9341%0.411SS*.  trans-77.354.4174.7-168.510.6000112.4
139R71.3Confident79.4Confident55 Ų5577.2 Ų77.221%0.20839%0.385CS..  trans-86.6154.7176.263.9-176178-146.36.8111.5E132 R135 E137 M143E132-R139 IonicContact OE1-CZ 3.13Å; E132-R139 IonicContact OE1-NE 3.52Å; E132-R139 PolarHBondContact OE1-NE 3.38Å; E132-R139 IonicContact OE1-NH2 2.67Å; E132-R139 PolarHBondContact OE1-NH2 2.83Å; R135-R139 PolarHBondContact NH1-O 2.67Å; E137-R139 PolarHBondContact O-N 2.64Å; E137-R139 IonicContact OE2-NH1 2.7Å; R139-M143 PolarHBondContact NH2-O 3.17Å; R139-M143 VanDerWaalsContact NH2-O 3.16Å
140R72.9Confident79.2Confident230 Ų23082.1 Ų82.187%0.86842%0.417SS*.SBendtrans-88.3-45.1177.7-67.1-174.9178.2-172.4-0.7112.2R135R135-R140 PolarHBondContact NH1-O 3.45Å; R135-R140 PolarHBondContact NH2-O 2.75Å
141E79.4Confident78.3Confident151 Ų15185.6 Ų85.671%0.70643%0.434SS*.SBendtrans-79.9163.2-175.1-65.3175.9-175.400112.6R135R135-E141 PolarHBondContact NH2-O 3.22Å
142F76.2Confident77Confident48 Ų4885.3 Ų85.321%0.21143%0.432CS..  trans-81.5129.7170.2-65.1-82000108.3Y101 S130 E132Y101-F142 HydrophobicContact CD1-CB 3.94Å; Y101-F142 HydrophobicContact CD2-CB 4.1Å; Y101-F142 AromaticContact CD2-CD1 4Å; Y101-F142 HydrophobicContact CD2-CD1 4Å; Y101-F142 HydrophobicContact CD2-CG 4.15Å; Y101-F142 HydrophobicContact CE1-CB 3.99Å; Y101-F142 HydrophobicContact CE2-CB 4.15Å; Y101-F142 HydrophobicContact CE2-CG 4.43Å; Y101-F142 HydrophobicContact CG-CB 3.98Å; Y101-F142 AromaticContact CG-CD1 3.96Å; Y101-F142 HydrophobicContact CG-CD1 3.96Å; Y101-F142 HydrophobicContact CG-CG 4.28Å; S130-F142 VanDerWaalsContact CB-CZ 3.49Å; S130-F142 WeakPolarHBondContact O-CZ 3.42Å; E132-F142 HydrophobicContact CB-CD1 3.63Å; E132-F142 HydrophobicContact CB-CE1 3.62Å; E132-F142 HydrophobicContact CG-CD1 4.48Å; E132-F142 WeakPolarHBondContact OE2-CD1 3.35Å
143M70.4Confident75.7Confident103 Ų10387.7 Ų87.751%0.50745%0.445SS..  trans-136.1145.7176.3-62.7-179.370.100109.7G99 R139G99-M143 VanDerWaalsContact O-O 3.11Å; R139-M143 PolarHBondContact NH2-O 3.17Å; R139-M143 VanDerWaalsContact NH2-O 3.16Å
144G79.7Confident74.3Confident53 Ų5392.1 Ų92.155%0.54647%0.468SS..SBendtrans113.7-167.9-17500000112G99 A146G99-G144 WeakPolarHBondContact O-CA 3.45Å; G144-A146 PolarHBondContact O-N 3.38Å
145H83.9Confident72.9Confident165 Ų16598.7 Ų98.776%0.76449%0.492SS*.  trans-75.5123.4178.6-66.2-71.4000110.8G100 Y101G100-H145 WeakPolarHBondContact CA-O 3.39Å; Y101-H145 PolarHBondContact N-O 2.97Å; Y101-H145 VanDerWaalsContact N-O 3.1Å
146A88Confident72Confident48 Ų48100.3 Ų100.340%0.39751%0.505SS..EExtended strand (participates in β ladder)trans-70.7132.9167.200000109.5Y101 G144Y101-A146 HydrophobicContact CE1-CB 3.9Å; Y101-A146 HydrophobicContact CE2-CB 3.93Å; Y101-A146 CarbonylContact O-C 3.59Å; Y101-A146 WeakPolarHBondContact O-CA 3.39Å; G144-A146 PolarHBondContact O-N 3.38Å
147I87Confident71.5Confident63 Ų6399.8 Ų99.832%0.32350%0.496SS..EExtended strand (participates in β ladder)trans-114.2109.8171-68.1179.3000108.7I96 P97 Y101 E103I96-I147 HydrophobicContact CB-CD1 3.87Å; I96-I147 HydrophobicContact CG2-CB 3.82Å; I96-I147 HydrophobicContact CG2-CD1 3.59Å; I96-I147 HydrophobicContact CG2-CG1 4.23Å; I96-I147 HydrophobicContact CG2-CG2 3.85Å; P97-I147 VanDerWaalsContact CD-CD1 3.46Å; P97-I147 HydrophobicContact CG-CD1 4.46Å; Y101-I147 PolarHBondContact O-N 2.98Å; E103-I147 PolarHBondContact N-O 2.58Å
148D84.5Confident70.9Confident70 Ų7099 Ų9937%0.37449%0.491SS..EExtended strand (participates in β ladder)trans-65139179.2-99.5-58.4000112.6E103 S152 I153E103-D148 CarbonylContact O-C 3.55Å; E103-D148 WeakPolarHBondContact O-CA 3.41Å; D148-S152 VanDerWaalsContact CG-OG 3.31Å; D148-S152 WeakPolarHBondContact OD1-CB 3.46Å; D148-S152 PolarHBondContact OD1-OG 3.49Å; D148-I153 HydrophobicContact CB-CG1 4.17Å
149C82.2Confident70.7Confident2 Ų294.7 Ų94.71%0.01447%0.471CS..  trans-65.7145.2167.370.60000111.5Y102 E103 C104 L151 S152Y102-C149 HydrophobicContact CE2-CB 3.96Å; Y102-C149 WeakPolarHBondContact OH-CB 3.17Å; E103-C149 PolarHBondContact O-N 3.36Å; C104-C149 WeakPolarHBondContact CA-SG 3.35Å; C104-C149 HydrophobicContact CB-CB 3.51Å; C104-C149 WeakPolarHBondContact CB-SG 3.41Å; C104-C149 WeakPolarHBondContact SG-CB 2.94Å; C104-C149 CovalentContact SG-SG 2.04Å; C104-C149 PolarHBondContact SG-SG 3.28Å; C149-L151 PolarHBondContact O-N 3.24Å; C149-S152 PolarHBondContact O-N 3.04Å; C149-S152 PolarHBondContact O-OG 3.1Å
150P75.3Confident70.7Confident110 Ų11095.6 Ų95.671%0.71448%0.484SS*.THydrogen-bonded Turntrans-55-22.8-178.6-29.135.7000115.3
151L66.7Low70.7Confident96 Ų9689.1 Ų89.150%0.50347%0.47SS..THydrogen-bonded Turntrans-80.1-33178.6-73.8158.7000114C149 I153 L154C149-L151 PolarHBondContact O-N 3.24Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-L154 WeakPolarHBondContact O-CB 3.15Å; L151-L154 PolarHBondContact O-N 2.91Å
152S57.4Low70.5Confident2 Ų286.6 Ų86.61%0.01446%0.46CS..Hα-helixtrans-68.1-36.4178.7570000111.2D148 C149 L154 W155 L156D148-S152 VanDerWaalsContact CG-OG 3.31Å; D148-S152 WeakPolarHBondContact OD1-CB 3.46Å; D148-S152 PolarHBondContact OD1-OG 3.49Å; C149-S152 PolarHBondContact O-N 3.04Å; C149-S152 PolarHBondContact O-OG 3.1Å; S152-L154 PolarHBondContact O-N 2.95Å; S152-L154 VanDerWaalsContact O-N 3.16Å; S152-W155 WeakPolarHBondContact O-CB 3.48Å; S152-W155 PolarHBondContact O-N 3.27Å; S152-L156 PolarHBondContact O-N 3.29Å
153I57.1Low70.6Confident74 Ų7487.8 Ų87.838%0.37947%0.471SS..Hα-helixtrans-53.6-35.8174.5-55.9175.8000111.4D148 L151 K157D148-I153 HydrophobicContact CB-CG1 4.17Å; L151-I153 VanDerWaalsContact C-N 3.34Å; I153-K157 HydrophobicContact CG2-CD 4.43Å; I153-K157 WeakPolarHBondContact O-CG 3.31Å; I153-K157 PolarHBondContact O-N 2.96Å; I153-K157 VanDerWaalsContact O-N 3.13Å
154L57.9Low71.1Confident99 Ų9986.4 Ų86.452%0.51847%0.471SS..Hα-helixtrans-70.2-35.9178.2-15591000112.3L151 S152 K158L151-L154 WeakPolarHBondContact O-CB 3.15Å; L151-L154 PolarHBondContact O-N 2.91Å; S152-L154 PolarHBondContact O-N 2.95Å; S152-L154 VanDerWaalsContact O-N 3.16Å; L154-K158 WeakPolarHBondContact O-CG 3.36Å; L154-K158 PolarHBondContact O-N 3.08Å
155W52Low71.3Confident169 Ų16986.5 Ų86.564%0.6446%0.463SS*.Hα-helixtrans-71.2-46.1174.9-80.894.6000111.7S152 K157 K158 V159S152-W155 WeakPolarHBondContact O-CB 3.48Å; S152-W155 PolarHBondContact O-N 3.27Å; W155-K157 PolarHBondContact O-N 3.27Å; W155-K158 PolarHBondContact O-N 2.82Å; W155-V159 PolarHBondContact O-N 2.84Å; W155-V159 VanDerWaalsContact O-N 3.08Å
156L58.4Low71.4Confident109 Ų10981.7 Ų81.757%0.57145%0.445SS*.Hα-helixtrans-57.3-34.3176.1-84.2153.1000112.6S152 P160S152-L156 PolarHBondContact O-N 3.29Å; L156-P160 WeakPolarHBondContact O-CD 3.37Å
157K60Low71.5Confident149 Ų14984.6 Ų84.665%0.64845%0.454SS*.Hα-helixtrans-74.7-31.4172.6-72.9178.1179-178.50113.9I153 W155 T161I153-K157 HydrophobicContact CG2-CD 4.43Å; I153-K157 WeakPolarHBondContact O-CG 3.31Å; I153-K157 PolarHBondContact O-N 2.96Å; I153-K157 VanDerWaalsContact O-N 3.13Å; W155-K157 PolarHBondContact O-N 3.27Å; K157-T161 PolarHBondContact O-OG1 3.19Å
158K58.3Low71.7Confident109 Ų10987.1 Ų87.147%0.47447%0.467SS..Hα-helixtrans-74.2-39.3-179.5-79.1177.4179-176.20113L154 W155 T161 I162L154-K158 WeakPolarHBondContact O-CG 3.36Å; L154-K158 PolarHBondContact O-N 3.08Å; W155-K158 PolarHBondContact O-N 2.82Å; K158-T161 WeakPolarHBondContact O-CB 3.14Å; K158-T161 PolarHBondContact O-N 2.86Å; K158-I162 HydrophobicContact CB-CD1 4.5Å; K158-I162 WeakPolarHBondContact O-CG1 3.16Å; K158-I162 PolarHBondContact O-N 3.38Å
159V66Low72.1Confident84 Ų8489.5 Ų89.551%0.50948%0.479SS..Hα-helixtrans-59-51.9-174.7172.60000112.8W155 T161 I162 V163W155-V159 PolarHBondContact O-N 2.84Å; W155-V159 VanDerWaalsContact O-N 3.08Å; V159-T161 VanDerWaalsContact C-N 3.27Å; V159-T161 PolarHBondContact O-N 3.19Å; V159-I162 PolarHBondContact O-N 3.37Å; V159-V163 HydrophobicContact CG1-CG2 4.41Å; V159-V163 WeakPolarHBondContact O-CG2 2.98Å; V159-V163 PolarHBondContact O-N 2.83Å
160P71.6Confident72.6Confident73 Ų7394 Ų9447%0.47450%0.502SS..Hα-helixtrans-58.2-38.7176-24.934.8000112.8L156 I162 V163 C164L156-P160 WeakPolarHBondContact O-CD 3.37Å; P160-I162 PolarHBondContact O-N 2.85Å; P160-V163 PolarHBondContact O-N 2.83Å; P160-C164 WeakPolarHBondContact O-CB 3.4Å; P160-C164 PolarHBondContact O-N 2.85Å; P160-C164 PolarHBondContact O-SG 3.12Å
161T73.1Confident73.4Confident94 Ų9490.5 Ų90.558%0.57749%0.486SS*.Hα-helixtrans-63.6-40.5179.3-50.90000112K157 K158 V159 S165K157-T161 PolarHBondContact O-OG1 3.19Å; K158-T161 WeakPolarHBondContact O-CB 3.14Å; K158-T161 PolarHBondContact O-N 2.86Å; V159-T161 VanDerWaalsContact C-N 3.27Å; V159-T161 PolarHBondContact O-N 3.19Å; T161-S165 WeakPolarHBondContact O-CB 3.47Å; T161-S165 PolarHBondContact O-N 2.93Å; T161-S165 VanDerWaalsContact O-N 3.08Å; T161-S165 PolarHBondContact O-OG 3.36Å
162I75.1Confident74.7Confident99 Ų9989.6 Ų89.651%0.50848%0.484SS..Hα-helixtrans-71.2-41.2177.1-65.6166.7000110.8K158 V159 P160 S165 T166K158-I162 HydrophobicContact CB-CD1 4.5Å; K158-I162 WeakPolarHBondContact O-CG1 3.16Å; K158-I162 PolarHBondContact O-N 3.38Å; V159-I162 PolarHBondContact O-N 3.37Å; P160-I162 PolarHBondContact O-N 2.85Å; I162-S165 WeakPolarHBondContact CA-OG 3.32Å; I162-S165 PolarHBondContact O-N 2.89Å; I162-S165 PolarHBondContact O-OG 2.95Å; I162-S165 VanDerWaalsContact O-OG 3.09Å; I162-T166 HydrophobicContact CG2-CG2 4.33Å; I162-T166 WeakPolarHBondContact O-CB 3.12Å; I162-T166 WeakPolarHBondContact O-CG2 3.4Å; I162-T166 PolarHBondContact O-N 2.87Å; I162-T166 PolarHBondContact O-OG1 2.89Å
163V79Confident76.4Confident72 Ų7291.6 Ų91.644%0.43650%0.501SS..Hα-helixtrans-62.6-45.2176.3174.20000111V159 P160 T166 L167V159-V163 HydrophobicContact CG1-CG2 4.41Å; V159-V163 WeakPolarHBondContact O-CG2 2.98Å; V159-V163 PolarHBondContact O-N 2.83Å; P160-V163 PolarHBondContact O-N 2.83Å; V163-T166 PolarHBondContact O-OG1 2.79Å; V163-T166 VanDerWaalsContact O-OG1 3.05Å; V163-L167 HydrophobicContact CG1-CD1 4Å; V163-L167 WeakPolarHBondContact O-CB 3.24Å; V163-L167 VanDerWaalsContact O-CG 3.3Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 2.8Å; V163-L167 VanDerWaalsContact O-N 3.1Å
164C80.1Confident78.2Confident74 Ų7493.1 Ų93.150%0.551%0.509SS..Hα-helixtrans-62.4-45.2176.5-71.40000112.8P160 I168P160-C164 WeakPolarHBondContact O-CB 3.4Å; P160-C164 PolarHBondContact O-N 2.85Å; P160-C164 PolarHBondContact O-SG 3.12Å; C164-I168 WeakPolarHBondContact O-CD1 3.29Å; C164-I168 VanDerWaalsContact O-CG1 3.32Å; C164-I168 WeakPolarHBondContact O-CG1 3.34Å; C164-I168 PolarHBondContact O-N 2.83Å
165S84.9Confident79.9Confident55 Ų5592.4 Ų92.439%0.38551%0.508SS..Hα-helixtrans-69.6-37.3-178.852.30000113.3T161 I162 I168 L169T161-S165 WeakPolarHBondContact O-CB 3.47Å; T161-S165 PolarHBondContact O-N 2.93Å; T161-S165 VanDerWaalsContact O-N 3.08Å; T161-S165 PolarHBondContact O-OG 3.36Å; I162-S165 WeakPolarHBondContact CA-OG 3.32Å; I162-S165 PolarHBondContact O-N 2.89Å; I162-S165 PolarHBondContact O-OG 2.95Å; I162-S165 VanDerWaalsContact O-OG 3.09Å; S165-I168 PolarHBondContact O-N 2.92Å; S165-L169 WeakPolarHBondContact O-CG 3.43Å; S165-L169 PolarHBondContact O-N 2.88Å; S165-L169 VanDerWaalsContact O-N 3.09Å
166T85.7Confident81.9Confident64 Ų6489 Ų8939%0.39350%0.502SS..Hα-helixtrans-67.3-39.917549.20000112.6I162 V163 I168 L169 I170I162-T166 HydrophobicContact CG2-CG2 4.33Å; I162-T166 WeakPolarHBondContact O-CB 3.12Å; I162-T166 WeakPolarHBondContact O-CG2 3.4Å; I162-T166 PolarHBondContact O-N 2.87Å; I162-T166 PolarHBondContact O-OG1 2.89Å; V163-T166 PolarHBondContact O-OG1 2.79Å; V163-T166 VanDerWaalsContact O-OG1 3.05Å; T166-I168 VanDerWaalsContact C-N 3.34Å; T166-I168 PolarHBondContact O-N 3.17Å; T166-L169 PolarHBondContact O-N 2.84Å; T166-I170 WeakPolarHBondContact O-CG1 3.27Å; T166-I170 PolarHBondContact O-N 2.93Å
167L89.1Confident83.5Confident110 Ų11089.5 Ų89.558%0.57650%0.504SS*.Hα-helixtrans-60.8-41.1173.8-74.7169.4000112.4V163 I170 G171V163-L167 HydrophobicContact CG1-CD1 4Å; V163-L167 WeakPolarHBondContact O-CB 3.24Å; V163-L167 VanDerWaalsContact O-CG 3.3Å; V163-L167 WeakPolarHBondContact O-CG 3.43Å; V163-L167 PolarHBondContact O-N 2.8Å; V163-L167 VanDerWaalsContact O-N 3.1Å; L167-I170 PolarHBondContact O-N 2.95Å; L167-G171 PolarHBondContact O-N 2.96Å
168I92.2Very high85.1Confident116 Ų11688.3 Ų88.360%0.59550%0.496SS*.Hα-helixtrans-62.9-45.4175.6-67.8164.9000110.8C164 S165 T166 I170 G171 V172C164-I168 WeakPolarHBondContact O-CD1 3.29Å; C164-I168 VanDerWaalsContact O-CG1 3.32Å; C164-I168 WeakPolarHBondContact O-CG1 3.34Å; C164-I168 PolarHBondContact O-N 2.83Å; S165-I168 PolarHBondContact O-N 2.92Å; T166-I168 VanDerWaalsContact C-N 3.34Å; T166-I168 PolarHBondContact O-N 3.17Å; I168-I170 PolarHBondContact O-N 2.84Å; I168-G171 PolarHBondContact O-N 3.35Å; I168-V172 WeakPolarHBondContact O-CG2 3.35Å; I168-V172 PolarHBondContact O-N 2.98Å
169L91.5Very high86.7Confident119 Ų11987.3 Ų87.362%0.62350%0.495SS*.Hα-helixtrans-62.1-40.1178.1-73.9169.2000112.7S165 T166 V172 A173S165-L169 WeakPolarHBondContact O-CG 3.43Å; S165-L169 PolarHBondContact O-N 2.88Å; S165-L169 VanDerWaalsContact O-N 3.09Å; T166-L169 PolarHBondContact O-N 2.84Å; L169-V172 PolarHBondContact O-N 2.83Å; L169-A173 WeakPolarHBondContact O-CB 3.16Å; L169-A173 PolarHBondContact O-N 2.97Å
170I93Very high87.7Confident97 Ų9787 Ų8750%0.49750%0.497SS..Hα-helixtrans-62.4-44.3174.7-68.4164000110.5T166 L167 I168 V172 A173 I174T166-I170 WeakPolarHBondContact O-CG1 3.27Å; T166-I170 PolarHBondContact O-N 2.93Å; L167-I170 PolarHBondContact O-N 2.95Å; I168-I170 PolarHBondContact O-N 2.84Å; I170-V172 PolarHBondContact O-N 2.82Å; I170-A173 PolarHBondContact O-N 2.73Å; I170-I174 HydrophobicContact CG2-CD1 3.82Å; I170-I174 HydrophobicContact CG2-CG1 4.49Å; I170-I174 VanDerWaalsContact O-CG1 3.31Å; I170-I174 WeakPolarHBondContact O-CG1 3.24Å; I170-I174 PolarHBondContact O-N 2.89Å
171G92.4Very high88.5Confident37 Ų3786 Ų8638%0.38149%0.491SS..Hα-helixtrans-57.9-46.7174.900000112.8L167 I168 I174 V175L167-G171 PolarHBondContact O-N 2.96Å; I168-G171 PolarHBondContact O-N 3.35Å; G171-I174 PolarHBondContact O-N 2.8Å; G171-V175 WeakPolarHBondContact O-CG2 3.49Å; G171-V175 PolarHBondContact O-N 2.8Å; G171-V175 VanDerWaalsContact O-N 3.11Å
172V94.1Very high89.1Confident77 Ų7788.7 Ų88.747%0.46749%0.491SS..Hα-helixtrans-62.3-43.7176.2173.20000111.5I168 L169 I170 I174 V175 L176I168-V172 WeakPolarHBondContact O-CG2 3.35Å; I168-V172 PolarHBondContact O-N 2.98Å; L169-V172 PolarHBondContact O-N 2.83Å; I170-V172 PolarHBondContact O-N 2.82Å; V172-I174 PolarHBondContact O-N 2.85Å; V172-V175 PolarHBondContact O-N 2.83Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CG 3.03Å; V172-L176 PolarHBondContact O-N 2.87Å
173A93.2Very high89.4Confident44 Ų4489.5 Ų89.536%0.36450%0.495SS..Hα-helixtrans-62.2-42.6178.400000112.4L169 I170 V175 L176 I177L169-A173 WeakPolarHBondContact O-CB 3.16Å; L169-A173 PolarHBondContact O-N 2.97Å; I170-A173 PolarHBondContact O-N 2.73Å; A173-V175 PolarHBondContact O-N 2.89Å; A173-L176 PolarHBondContact O-N 3.36Å; A173-I177 VanDerWaalsContact O-CG1 3.28Å; A173-I177 WeakPolarHBondContact O-CG1 3.27Å; A173-I177 PolarHBondContact O-N 2.73Å
174I94.9Very high89.3Confident106 Ų10689.8 Ų89.854%0.54450%0.5SS..Hα-helixtrans-61.1-44.2175.7-68.7165.5000110.8I170 G171 V172 I177 Y178I170-I174 HydrophobicContact CG2-CD1 3.82Å; I170-I174 HydrophobicContact CG2-CG1 4.49Å; I170-I174 VanDerWaalsContact O-CG1 3.31Å; I170-I174 WeakPolarHBondContact O-CG1 3.24Å; I170-I174 PolarHBondContact O-N 2.89Å; G171-I174 PolarHBondContact O-N 2.8Å; V172-I174 PolarHBondContact O-N 2.85Å; I174-I177 PolarHBondContact O-N 2.94Å; I174-Y178 WeakPolarHBondContact O-CB 3.46Å; I174-Y178 PolarHBondContact O-N 2.88Å
175V94Very high89Confident84 Ų8492.7 Ų92.751%0.50951%0.505SS..Hα-helixtrans-62.7-43.4177.1171.50000111.4G171 V172 A173 Y178 L179G171-V175 WeakPolarHBondContact O-CG2 3.49Å; G171-V175 PolarHBondContact O-N 2.8Å; G171-V175 VanDerWaalsContact O-N 3.11Å; V172-V175 PolarHBondContact O-N 2.83Å; A173-V175 PolarHBondContact O-N 2.89Å; V175-Y178 PolarHBondContact O-N 2.82Å; V175-L179 HydrophobicContact CG1-CD1 3.93Å; V175-L179 HydrophobicContact CG1-CG 4.46Å; V175-L179 VanDerWaalsContact O-CG 3.3Å; V175-L179 WeakPolarHBondContact O-CG 3.24Å; V175-L179 PolarHBondContact O-N 3.22Å
176L92.9Very high88.1Confident97 Ų9799.2 Ų99.251%0.50852%0.521SS..Hα-helixtrans-63.6-46.7177.2-71.7171.7000112.1V172 A173 Y178 L179 C180V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CG 3.03Å; V172-L176 PolarHBondContact O-N 2.87Å; A173-L176 PolarHBondContact O-N 3.36Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 PolarHBondContact O-N 2.53Å; L176-L179 PolarHBondContact O-N 3.05Å; L176-C180 WeakPolarHBondContact O-CB 3.32Å; L176-C180 PolarHBondContact O-N 2.83Å; L176-C180 PolarHBondContact O-SG 2.82Å; L176-C180 VanDerWaalsContact O-SG 3.38Å
177I93.2Very high87.1Confident120 Ų12099.8 Ų99.862%0.61553%0.527SS*.Hα-helixtrans-59.2-43.8176.3-68.8164.8000110.5A173 I174 C180 S181A173-I177 VanDerWaalsContact O-CG1 3.28Å; A173-I177 WeakPolarHBondContact O-CG1 3.27Å; A173-I177 PolarHBondContact O-N 2.73Å; I174-I177 PolarHBondContact O-N 2.94Å; I177-C180 PolarHBondContact O-N 2.87Å; I177-S181 WeakPolarHBondContact O-CB 3.31Å; I177-S181 PolarHBondContact O-N 3.31Å; I177-S181 PolarHBondContact O-OG 3.1Å
178Y93.2Very high85.6Confident124 Ų12498.6 Ų98.649%0.48653%0.525SS..Hα-helixtrans-60.9-46.5177.1179.7-109.4000112.2I174 V175 L176 S181 R182I174-Y178 WeakPolarHBondContact O-CB 3.46Å; I174-Y178 PolarHBondContact O-N 2.88Å; V175-Y178 PolarHBondContact O-N 2.82Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 PolarHBondContact O-N 2.53Å; Y178-S181 PolarHBondContact O-N 3.24Å; Y178-S181 PolarHBondContact O-OG 3.48Å; Y178-R182 VanDerWaalsContact CZ-NE 3.31Å; Y178-R182 PolarHBondContact O-N 2.94Å; Y178-R182 VanDerWaalsContact O-N 3.08Å; Y178-R182 VanDerWaalsContact OH-CZ 3.23Å; Y178-R182 PolarHBondContact OH-NE 3.26Å; Y178-R182 PolarHBondContact OH-NH2 2.89Å
179L90.8Very high83.9Confident87 Ų87101.7 Ų101.746%0.45553%0.53SS..Hα-helixtrans-63.5-47.3177.1-70.4170.7000112.1V175 L176 S181 R182 L183V175-L179 HydrophobicContact CG1-CD1 3.93Å; V175-L179 HydrophobicContact CG1-CG 4.46Å; V175-L179 VanDerWaalsContact O-CG 3.3Å; V175-L179 WeakPolarHBondContact O-CG 3.24Å; V175-L179 PolarHBondContact O-N 3.22Å; L176-L179 PolarHBondContact O-N 3.05Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.93Å; L179-R182 PolarHBondContact O-N 3.11Å; L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 2.9Å
180C88.6Confident82.2Confident79 Ų79103.8 Ų103.853%0.53454%0.537SS..Hα-helixtrans-60.2-41.1176.1-71.10000112.1L176 I177 R182 L183 S184L176-C180 WeakPolarHBondContact O-CB 3.32Å; L176-C180 PolarHBondContact O-N 2.83Å; L176-C180 PolarHBondContact O-SG 2.82Å; L176-C180 VanDerWaalsContact O-SG 3.38Å; I177-C180 PolarHBondContact O-N 2.87Å; C180-R182 VanDerWaalsContact C-N 3.33Å; C180-R182 PolarHBondContact O-N 2.84Å; C180-L183 PolarHBondContact O-N 3.06Å; C180-S184 WeakPolarHBondContact O-CB 3.27Å; C180-S184 PolarHBondContact O-N 2.88Å
181S87.3Confident80.3Confident52 Ų52104.8 Ų104.836%0.36455%0.548SS..Hα-helixtrans-65.1-34.5176.978.60000112.8I177 Y178 L179 K185I177-S181 WeakPolarHBondContact O-CB 3.31Å; I177-S181 PolarHBondContact O-N 3.31Å; I177-S181 PolarHBondContact O-OG 3.1Å; Y178-S181 PolarHBondContact O-N 3.24Å; Y178-S181 PolarHBondContact O-OG 3.48Å; L179-S181 VanDerWaalsContact C-N 3.33Å; L179-S181 PolarHBondContact O-N 2.93Å; S181-K185 WeakPolarHBondContact O-CG 3.36Å; S181-K185 PolarHBondContact O-N 2.97Å
182R85.7Confident78.2Confident150 Ų150110.2 Ų110.257%0.56657%0.566SS**Hα-helixtrans-69.7-39.7173-82-172.7164.6-141.9-3.6112.3Y178 L179 C180 R186Y178-R182 VanDerWaalsContact CZ-NE 3.31Å; Y178-R182 PolarHBondContact O-N 2.94Å; Y178-R182 VanDerWaalsContact O-N 3.08Å; Y178-R182 VanDerWaalsContact OH-CZ 3.23Å; Y178-R182 PolarHBondContact OH-NE 3.26Å; Y178-R182 PolarHBondContact OH-NH2 2.89Å; L179-R182 PolarHBondContact O-N 3.11Å; C180-R182 VanDerWaalsContact C-N 3.33Å; C180-R182 PolarHBondContact O-N 2.84Å; R182-R186 PolarHBondContact O-N 2.95Å
183L81.1Confident75.7Confident115 Ų115121.1 Ų121.160%0.60260%0.599SS**Hα-helixtrans-67.5-47.1177.8-70.9168.7000111.6L179 C180 K185 R186 S187L179-L183 WeakPolarHBondContact O-CG 3.37Å; L179-L183 PolarHBondContact O-N 2.9Å; C180-L183 PolarHBondContact O-N 3.06Å; L183-K185 PolarHBondContact O-N 3.28Å; L183-R186 PolarHBondContact O-N 3.11Å; L183-S187 PolarHBondContact O-N 2.7Å
184S77.3Confident74.9Confident78 Ų78125 Ų12555%0.54561%0.611SS.*Hα-helixtrans-57.2-47.7176.8170.80000111.8C180 R186 S187 T188C180-S184 WeakPolarHBondContact O-CB 3.27Å; C180-S184 PolarHBondContact O-N 2.88Å; S184-R186 VanDerWaalsContact C-N 3.29Å; S184-R186 PolarHBondContact O-N 3.1Å; S184-S187 PolarHBondContact O-N 2.77Å; S184-S187 VanDerWaalsContact O-N 3.16Å; S184-T188 PolarHBondContact O-N 2.79Å; S184-T188 PolarHBondContact O-OG1 2.73Å
185K73.2Confident73.8Confident136 Ų136125.9 Ų125.959%0.59161%0.614SS**Hα-helixtrans-58.6-37.6177.3-76.8179.6178.6-176.30113S181 L183 T188 Y189S181-K185 WeakPolarHBondContact O-CG 3.36Å; S181-K185 PolarHBondContact O-N 2.97Å; L183-K185 PolarHBondContact O-N 3.28Å; K185-T188 PolarHBondContact O-N 3.06Å; K185-Y189 WeakPolarHBondContact O-CD2 3.19Å; K185-Y189 WeakPolarHBondContact O-CE2 3.41Å
186R66.6Low72.7Confident191 Ų191128.3 Ų128.372%0.72162%0.62SS**Hα-helixtrans-62.3-42.4177-80-176.7170.2-176.1-4.2112.2R182 L183 S184 T188 Y189R182-R186 PolarHBondContact O-N 2.95Å; L183-R186 PolarHBondContact O-N 3.11Å; S184-R186 VanDerWaalsContact C-N 3.29Å; S184-R186 PolarHBondContact O-N 3.1Å; R186-T188 VanDerWaalsContact C-N 3.33Å; R186-T188 PolarHBondContact O-N 2.83Å; R186-Y189 PolarHBondContact O-N 3.45Å
187S64.1Low71.5Confident76 Ų76130.1 Ų130.153%0.53163%0.627SS.*Hα-helixtrans-64.1-34.4178.8176.70000113.1L183 S184 Y189 E190L183-S187 PolarHBondContact O-N 2.7Å; S184-S187 PolarHBondContact O-N 2.77Å; S184-S187 VanDerWaalsContact O-N 3.16Å; S187-Y189 VanDerWaalsContact C-N 3.32Å; S187-Y189 PolarHBondContact O-N 3.15Å; S187-E190 PolarHBondContact O-N 3.07Å
188T58.3Low70.2Confident85 Ų85130.8 Ų130.852%0.52163%0.628SS.*Hα-helixtrans-68-29.6179.4-35.30000113.1S184 K185 R186 E190 T191S184-T188 PolarHBondContact O-N 2.79Å; S184-T188 PolarHBondContact O-OG1 2.73Å; K185-T188 PolarHBondContact O-N 3.06Å; R186-T188 VanDerWaalsContact C-N 3.33Å; R186-T188 PolarHBondContact O-N 2.83Å; T188-E190 VanDerWaalsContact C-N 3.3Å; T188-E190 PolarHBondContact O-N 3.5Å; T188-T191 PolarHBondContact O-OG1 2.92Å; T188-T191 VanDerWaalsContact O-OG1 3.11Å
189Y56.9Low68.6Low182 Ų182131.2 Ų131.271%0.71464%0.637SS**Hα-helixtrans-76.6-14178-68.2-68.5000113.8K185 R186 S187 T191K185-Y189 WeakPolarHBondContact O-CD2 3.19Å; K185-Y189 WeakPolarHBondContact O-CE2 3.41Å; R186-Y189 PolarHBondContact O-N 3.45Å; S187-Y189 VanDerWaalsContact C-N 3.32Å; S187-Y189 PolarHBondContact O-N 3.15Å; Y189-T191 VanDerWaalsContact C-N 3.33Å
190E56.4Low67Low162 Ų162134.4 Ų134.476%0.75765%0.65SS**THydrogen-bonded Turntrans-81.6-9.2176.6-68.4-17715000113.6S187 T188S187-E190 PolarHBondContact O-N 3.07Å; T188-E190 VanDerWaalsContact C-N 3.3Å; T188-E190 PolarHBondContact O-N 3.5Å
191T52.1Low65.4Low118 Ų118138.6 Ų138.672%0.72466%0.659SS**THydrogen-bonded Turntrans-1012.6-177.630.30000115T188 Y189T188-T191 PolarHBondContact O-OG1 2.92Å; T188-T191 VanDerWaalsContact O-OG1 3.11Å; Y189-T191 VanDerWaalsContact C-N 3.33Å
192I49.1Very low63.6Low151 Ų151145.8 Ų145.877%0.77468%0.684SS**  trans-102.992.9168.1-53.6178.7000107.8
193R41.9Very low61.5Low306 Ų306145.5 Ų145.5100%1.15569%0.694SS**  trans-1280178.1-172.4-178.5-172-179.34.4110

Retrieved 193 of 193 residues in 63.9 ms (Link to these results)

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