A0AA82N8M4_SCHMA Loading...

Plexin AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1Q49.6Very low65.2Low247 Ų247138.7 Ų138.7100%1.15468%0.676SS**  0111.50-106.7171.1-10.400107.4L3Q1-L3 PolarHBondContact O-N 3.35Å
2I48.5Very low67.1Low170 Ų170137.4 Ų137.487%0.87267%0.668SS**PPolyproline II helixtrans-74.7117.8175.9-63.4169.9000106.6K4I2-K4 PolarHBondContact O-N 2.92Å
3L56Low68.7Low138 Ų138130.7 Ų130.772%0.72364%0.643SS**PPolyproline II helixtrans-63.6118.1175.1-140.882.1000107.1Q1 E5 F6Q1-L3 PolarHBondContact O-N 3.35Å; L3-E5 PolarHBondContact O-N 3.17Å; L3-F6 HydrophobicContact CD2-CE2 3.89Å; L3-F6 HydrophobicContact CG-CE2 4.05Å
4K62.2Low70.1Confident180 Ų180129.6 Ų129.678%0.78363%0.629SS**PPolyproline II helixtrans-56.5128.3169.6-83.7-179.5173.7179.90107.7I2 F6I2-K4 PolarHBondContact O-N 2.92Å; K4-F6 WeakPolarHBondContact O-CD2 3.24Å; K4-F6 PolarHBondContact O-N 2.91Å; K4-F6 VanDerWaalsContact O-N 3.08Å
5E61Low71.1Confident197 Ų197126.5 Ų126.592%0.92162%0.615SS**  trans-57.8113.1172.8-164.7168.4-167.200107.8L3L3-E5 PolarHBondContact O-N 3.17Å
6F67.2Low72Confident132 Ų132127.1 Ų127.158%0.57961%0.61SS**  trans-78.1130179.2-64.3-84.6000108L3 K4 E8 L11L3-F6 HydrophobicContact CD2-CE2 3.89Å; L3-F6 HydrophobicContact CG-CE2 4.05Å; K4-F6 WeakPolarHBondContact O-CD2 3.24Å; K4-F6 PolarHBondContact O-N 2.91Å; K4-F6 VanDerWaalsContact O-N 3.08Å; F6-E8 PolarHBondContact O-N 3.36Å; F6-L11 HydrophobicContact CB-CD1 4.36Å
7D69.9Low72.5Confident81 Ų81128.6 Ų128.643%0.43361%0.61SS.*  trans-68.8100.1171.6178.66.4000109.5N9 N10D7-N9 PolarHBondContact O-N 2.84Å; D7-N9 VanDerWaalsContact O-N 3.09Å; D7-N9 WeakPolarHBondContact OD1-CB 3.28Å; D7-N9 PolarHBondContact OD1-N 3.07Å; D7-N9 VanDerWaalsContact OD1-N 3.13Å; D7-N9 PolarHBondContact OD1-ND2 3.31Å; D7-N10 PolarHBondContact O-N 3.11Å; D7-N10 PolarHBondContact OD2-ND2 3.3Å
8E68.6Low73Confident79 Ų79129.8 Ų129.837%0.36961%0.607SS.*G310 helixtrans-56.4-26.3-177.4-63.1-170153.200112.5F6 N10 L11 K44 S45F6-E8 PolarHBondContact O-N 3.36Å; E8-N10 PolarHBondContact O-N 3.3Å; E8-L11 PolarHBondContact O-N 2.97Å; E8-K44 WeakPolarHBondContact OE1-CA 3.36Å; E8-S45 PolarHBondContact OE1-N 3.31Å
9N70.6Confident73.5Confident118 Ų118125.8 Ų125.863%0.63159%0.586SS**G310 helixtrans-69.5-24.1179.8-63.5-51.9000113.4D7 K40D7-N9 PolarHBondContact O-N 2.84Å; D7-N9 VanDerWaalsContact O-N 3.09Å; D7-N9 WeakPolarHBondContact OD1-CB 3.28Å; D7-N9 PolarHBondContact OD1-N 3.07Å; D7-N9 VanDerWaalsContact OD1-N 3.13Å; D7-N9 PolarHBondContact OD1-ND2 3.31Å; N9-K40 PolarHBondContact O-NZ 3.31Å
10N80.4Confident73.9Confident122 Ų122127.9 Ų127.965%0.65259%0.593SS**G310 helixtrans-97.2-3.8-178.9-77.9-38.4000113.1D7 E8D7-N10 PolarHBondContact O-N 3.11Å; D7-N10 PolarHBondContact OD2-ND2 3.3Å; E8-N10 PolarHBondContact O-N 3.3Å
11L83.6Confident74.3Confident62 Ų62123.2 Ų123.233%0.32558%0.575SS.*  trans-77.2136.9176-61.3178.6000110.9F6 E8 I43F6-L11 HydrophobicContact CB-CD1 4.36Å; E8-L11 PolarHBondContact O-N 2.97Å; L11-I43 HydrophobicContact CB-CG2 3.7Å; L11-I43 HydrophobicContact CD1-CG2 3.91Å; L11-I43 HydrophobicContact CG-CG2 4.48Å
12Q87.5Confident76.1Confident123 Ų123117.3 Ų117.358%0.57555%0.55SS**  trans-127.5137.9169.3-62.5-175.817.500107.7W14Q12-W14 HydrophobicContact CB-CE3 4.27Å; Q12-W14 HydrophobicContact CB-CZ3 3.86Å
13S87.6Confident77.9Confident50 Ų50112 Ų11235%0.3552%0.524SS..  trans-138.2145.1176-169.10000108.8I38S13-I38 WeakPolarHBondContact O-CB 3.49Å; S13-I38 PolarHBondContact O-N 2.93Å; S13-I38 WeakPolarHBondContact OG-CD1 3.47Å
14W88.5Confident79.4Confident115 Ų115116 Ų11644%0.43654%0.535SS..EExtended strand (participates in β ladder)trans-151.9149.917857.382.9000110.4Q12 Y16 I36Q12-W14 HydrophobicContact CB-CE3 4.27Å; Q12-W14 HydrophobicContact CB-CZ3 3.86Å; W14-Y16 AromaticContact CD1-CD1 3.75Å; W14-Y16 AromaticContact NE1-CD1 3.68Å; W14-I36 CarbonylContact C-O 3.48Å; W14-I36 WeakPolarHBondContact CA-O 3.38Å; W14-I36 WeakPolarHBondContact CB-O 3.3Å
15I85.9Confident80.7Confident84 Ų84115 Ų11543%0.43153%0.534SS..EExtended strand (participates in β ladder)trans-94.2131164.9-59.3175.7000106.5R35 I36 F51I15-R35 WeakPolarHBondContact O-CA 3.35Å; I15-I36 HydrophobicContact CB-CB 4.37Å; I15-I36 PolarHBondContact N-O 2.88Å; I15-I36 PolarHBondContact O-N 3.25Å; I15-F51 HydrophobicContact CD1-CD2 3.31Å; I15-F51 HydrophobicContact CD1-CE2 3.47Å; I15-F51 VanDerWaalsContact CD1-CE2 3.47Å; I15-F51 HydrophobicContact CD1-CG 4.21Å; I15-F51 HydrophobicContact CD1-CZ 4.46Å; I15-F51 HydrophobicContact CG1-CE2 4.27Å
16Y85.5Confident81.9Confident136 Ų136111.9 Ų111.953%0.53352%0.523SS..EExtended strand (participates in β ladder)trans-131.7141.4173.575.8-83.4000110W14 R18W14-Y16 AromaticContact CD1-CD1 3.75Å; W14-Y16 AromaticContact NE1-CD1 3.68Å; Y16-R18 HydrophobicContact CE2-CB 4.5Å
17Y80.7Confident83Confident153 Ų153109.2 Ų109.260%0.652%0.518SS*.EExtended strand (participates in β ladder)trans-112.2135.2171.6-179-108.4000109.4Y19 Y33Y17-Y19 HydrophobicContact CE1-CG 4.49Å; Y17-Y33 PolarHBondContact O-N 3.49Å; Y17-Y33 VanDerWaalsContact O-N 3.12Å
18R80.9Confident83.9Confident150 Ų150108.4 Ų108.457%0.56652%0.519SS*.EExtended strand (participates in β ladder)trans-122.4123.1177.4179.6-170.9-78.1-167.18.6107.3Y16 P30Y16-R18 HydrophobicContact CE2-CB 4.5Å; R18-P30 HydrophobicContact CG-CB 3.64Å
19Y81.6Confident84.7Confident54 Ų54107.4 Ų107.421%0.21252%0.517CS..EExtended strand (participates in β ladder)trans-109.8160.3173.563.9-67.2000109.1Y17 C21 P30 E31 Y33 K95Y17-Y19 HydrophobicContact CE1-CG 4.49Å; Y19-C21 VanDerWaalsContact CD2-SG 3.59Å; Y19-C21 WeakPolarHBondContact CE2-SG 3.36Å; Y19-P30 WeakPolarHBondContact O-CA 3.32Å; Y19-E31 HydrophobicContact CD1-CB 4.33Å; Y19-E31 VanDerWaalsContact CD1-O 3.3Å; Y19-E31 WeakPolarHBondContact CD1-O 3.48Å; Y19-E31 HydrophobicContact CE1-CB 3.73Å; Y19-E31 HydrophobicContact CE2-CB 4.41Å; Y19-E31 PolarHBondContact N-O 3.48Å; Y19-E31 PolarHBondContact O-N 3.47Å; Y19-E31 PolarHBondContact OH-OE2 2.87Å; Y19-Y33 HydrophobicContact CD1-CD2 4.44Å; Y19-Y33 AromaticContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CG 4.38Å; Y19-K95 PolarHBondContact OH-NZ 2.84Å
20K83.2Confident85.2Confident166 Ų166104.8 Ų104.872%0.72251%0.507SS*.EExtended strand (participates in β ladder)trans-101.9122.2177.5-66.4-178.5-180-177.80108.2V29K20-V29 WeakPolarHBondContact CA-O 3.31Å
21C82.5Confident84.9Confident31 Ų31102.2 Ų102.221%0.20949%0.491CS..EExtended strand (participates in β ladder)trans-100.5155.3167.3-67.30000109.2Y19 S28 V29 E31Y19-C21 VanDerWaalsContact CD2-SG 3.59Å; Y19-C21 WeakPolarHBondContact CE2-SG 3.36Å; C21-S28 CarbonylContact O-C 3.24Å; C21-S28 VanDerWaalsContact O-CA 3.31Å; C21-S28 WeakPolarHBondContact O-CA 3.35Å; C21-V29 PolarHBondContact N-O 3.35Å; C21-V29 PolarHBondContact O-N 3.03Å; C21-E31 HydrophobicContact CB-CG 4.41Å
22L86.6Confident84.2Confident122 Ų122104.2 Ų104.264%0.63951%0.508SS*.EExtended strand (participates in β ladder)trans-87.6129.7163.9-63.7174.7000108.3V27L22-V27 WeakPolarHBondContact CA-O 3.4Å
23D86.1Confident83.3Confident60 Ų60102.9 Ų102.932%0.32150%0.498SS..  trans-77.8-175.7170.377.3-3.3000111.5Q25 N26 V27 V29D23-Q25 PolarHBondContact O-N 3.23Å; D23-Q25 VanDerWaalsContact O-N 3.12Å; D23-Q25 VanDerWaalsContact OD1-CA 3.32Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.28Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; D23-Q25 PolarHBondContact OD1-N 3.47Å; D23-N26 PolarHBondContact O-N 3.32Å; D23-N26 VanDerWaalsContact O-N 3.1Å; D23-N26 PolarHBondContact OD1-N 3.35Å; D23-N26 VanDerWaalsContact OD1-N 3.16Å; D23-V27 PolarHBondContact N-O 3.42Å; D23-V27 WeakPolarHBondContact OD1-CB 3.3Å; D23-V27 PolarHBondContact OD1-N 2.86Å; D23-V29 HydrophobicContact CB-CG2 3.94Å
24K86.8Confident82.6Confident220 Ų220105.6 Ų105.696%0.95751%0.509SS*.THydrogen-bonded Turntrans-63.4-15.2178.7-64.4-175.9179.8-179.20114
25Q90.9Very high82.3Confident160 Ų160109.2 Ų109.275%0.74852%0.522SS*.THydrogen-bonded Turntrans-103.212.5179.3-60.4178.414.700111.8D23 V27D23-Q25 PolarHBondContact O-N 3.23Å; D23-Q25 VanDerWaalsContact O-N 3.12Å; D23-Q25 VanDerWaalsContact OD1-CA 3.32Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.28Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.47Å; D23-Q25 PolarHBondContact OD1-N 3.47Å; Q25-V27 HydrophobicContact CB-CG2 4.14Å; Q25-V27 PolarHBondContact O-N 2.87Å
26N85.4Confident82.3Confident132 Ų132109.4 Ų109.471%0.70652%0.523SS*.SBendtrans59.426.4-173.6-72.8-18.8000114.1D23D23-N26 PolarHBondContact O-N 3.32Å; D23-N26 VanDerWaalsContact O-N 3.1Å; D23-N26 PolarHBondContact OD1-N 3.35Å; D23-N26 VanDerWaalsContact OD1-N 3.16Å
27V89.7Confident82.5Confident75 Ų75109 Ų10946%0.45553%0.526SS..  trans-91.5133.6174.7-178.30000109.1L22 D23 Q25 V29L22-V27 WeakPolarHBondContact CA-O 3.4Å; D23-V27 PolarHBondContact N-O 3.42Å; D23-V27 WeakPolarHBondContact OD1-CB 3.3Å; D23-V27 PolarHBondContact OD1-N 2.86Å; Q25-V27 HydrophobicContact CB-CG2 4.14Å; Q25-V27 PolarHBondContact O-N 2.87Å; V27-V29 PolarHBondContact O-N 3.45Å
28S88.5Confident82.9Confident65 Ų65102.4 Ų102.446%0.45550%0.501SS..EExtended strand (participates in β ladder)trans-73.4108177.574.20000110.5C21C21-S28 CarbonylContact O-C 3.24Å; C21-S28 VanDerWaalsContact O-CA 3.31Å; C21-S28 WeakPolarHBondContact O-CA 3.35Å
29V86.7Confident83.3Confident57 Ų5798 Ų9835%0.34549%0.492SS..EExtended strand (participates in β ladder)trans-103.1129.4177.8-177.60000109.4K20 C21 D23 V27 E31K20-V29 WeakPolarHBondContact CA-O 3.31Å; C21-V29 PolarHBondContact N-O 3.35Å; C21-V29 PolarHBondContact O-N 3.03Å; D23-V29 HydrophobicContact CB-CG2 3.94Å; V27-V29 PolarHBondContact O-N 3.45Å; V29-E31 PolarHBondContact O-N 3.33Å
30P81.4Confident83.5Confident63 Ų63100.5 Ų100.541%0.40950%0.504SS..EExtended strand (participates in β ladder)trans-72.7117.1173.526.3-30.2000111.3R18 Y19R18-P30 HydrophobicContact CG-CB 3.64Å; Y19-P30 WeakPolarHBondContact O-CA 3.32Å
31E72.6Confident83.8Confident68 Ų6899.7 Ų99.732%0.31850%0.501SS..EExtended strand (participates in β ladder)trans-100.9131.3171.5-72.5-169.4-177.600110.6Y19 C21 V29 Y33 K95Y19-E31 HydrophobicContact CD1-CB 4.33Å; Y19-E31 VanDerWaalsContact CD1-O 3.3Å; Y19-E31 WeakPolarHBondContact CD1-O 3.48Å; Y19-E31 HydrophobicContact CE1-CB 3.73Å; Y19-E31 HydrophobicContact CE2-CB 4.41Å; Y19-E31 PolarHBondContact N-O 3.48Å; Y19-E31 PolarHBondContact O-N 3.47Å; Y19-E31 PolarHBondContact OH-OE2 2.87Å; C21-E31 HydrophobicContact CB-CG 4.41Å; V29-E31 PolarHBondContact O-N 3.33Å; E31-Y33 PolarHBondContact O-N 3.34Å; E31-K95 IonicContact OE2-NZ 2.73Å; E31-K95 PolarHBondContact OE2-NZ 3.3Å
32P70.5Confident84.1Confident105 Ų105102.8 Ų102.868%0.68251%0.511SS*.EExtended strand (participates in β ladder)trans-70124.8168.228.9-30.5000108.8
33Y67.4Low84.1Confident95 Ų9598.2 Ų98.237%0.37349%0.486SS..EExtended strand (participates in β ladder)trans-75.6-59.6177.7-177-105.7000110.8Y17 Y19 E31 T92Y17-Y33 PolarHBondContact O-N 3.49Å; Y17-Y33 VanDerWaalsContact O-N 3.12Å; Y19-Y33 HydrophobicContact CD1-CD2 4.44Å; Y19-Y33 AromaticContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CD2 3.95Å; Y19-Y33 HydrophobicContact CE1-CG 4.38Å; E31-Y33 PolarHBondContact O-N 3.34Å; Y33-T92 WeakPolarHBondContact OH-CA 3.43Å; Y33-T92 WeakPolarHBondContact OH-CG2 3.07Å
34N74.2Confident84.1Confident107 Ų107101 Ų10157%0.57250%0.496SS*.EExtended strand (participates in β ladder)trans-169.3160170.6-90.1-37.1000108.4
35R81.4Confident84Confident191 Ų19194.9 Ų94.972%0.72148%0.48SS*.EExtended strand (participates in β ladder)trans-107.4128.6173.8-62.7-174.5-68.2-152.7-2.1109.1I15I15-R35 WeakPolarHBondContact O-CA 3.35Å
36I86.2Confident83.8Confident87 Ų8799.1 Ų99.145%0.44649%0.49SS..EExtended strand (participates in β ladder)trans-92.8104.7169-56.3175.1000106.5W14 I15 F51W14-I36 CarbonylContact C-O 3.48Å; W14-I36 WeakPolarHBondContact CA-O 3.38Å; W14-I36 WeakPolarHBondContact CB-O 3.3Å; I15-I36 HydrophobicContact CB-CB 4.37Å; I15-I36 PolarHBondContact N-O 2.88Å; I15-I36 PolarHBondContact O-N 3.25Å; I36-F51 HydrophobicContact CG2-CD1 3.93Å; I36-F51 HydrophobicContact CG2-CE1 3.38Å; I36-F51 HydrophobicContact CG2-CZ 3.79Å
37Q88.8Confident83.9Confident127 Ų12797.7 Ų97.759%0.59348%0.481SS*.EExtended strand (participates in β ladder)trans-78.1128.2178-174.1173.5-4.200109.8P39Q37-P39 VanDerWaalsContact O-CD 3.32Å; Q37-P39 WeakPolarHBondContact O-CD 3.46Å
38I89.7Confident83.9Confident15 Ų15100.6 Ų100.68%0.07749%0.493CS..PPolyproline II helixtrans-76.3121.9173.5-66.3154000107.7S13 K40 F42 I43 V49 F51S13-I38 WeakPolarHBondContact O-CB 3.49Å; S13-I38 PolarHBondContact O-N 2.93Å; S13-I38 WeakPolarHBondContact OG-CD1 3.47Å; I38-K40 PolarHBondContact O-N 2.9Å; I38-F42 HydrophobicContact CG2-CB 4.16Å; I38-I43 HydrophobicContact CB-CG1 4.49Å; I38-I43 HydrophobicContact CG2-CD1 4.42Å; I38-I43 HydrophobicContact CG2-CG1 3.8Å; I38-V49 HydrophobicContact CG2-CG1 4.39Å; I38-V49 HydrophobicContact CG2-CG2 4.36Å; I38-F51 HydrophobicContact CD1-CE2 4.4Å; I38-F51 HydrophobicContact CG1-CE2 3.83Å; I38-F51 HydrophobicContact CG1-CZ 3.67Å
39P88.6Confident83.9Confident58 Ų5899.8 Ų99.838%0.37749%0.486SS..PPolyproline II helixtrans-55.6132175.7-26.533.6000111.2Q37 K41 F42Q37-P39 VanDerWaalsContact O-CD 3.32Å; Q37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-K41 HydrophobicContact CB-CG 4.04Å; P39-K41 PolarHBondContact O-N 3.46Å; P39-F42 HydrophobicContact CB-CD2 3.71Å; P39-F42 HydrophobicContact CB-CE2 4.05Å; P39-F42 HydrophobicContact CG-CD2 3.79Å; P39-F42 HydrophobicContact CG-CE2 3.89Å; P39-F42 PolarHBondContact O-N 2.9Å
40K87.4Confident84.1Confident107 Ų107104.4 Ų104.447%0.46550%0.503SS..G310 helixtrans-49.3-36.5-176.8-69.2-169.9174-164.10113.6N9 I38 F42 I43N9-K40 PolarHBondContact O-NZ 3.31Å; I38-K40 PolarHBondContact O-N 2.9Å; K40-F42 PolarHBondContact O-N 3.48Å; K40-I43 PolarHBondContact O-N 3.16Å
41K88.1Confident84.4Confident149 Ų149105.6 Ų105.665%0.64850%0.502SS*.G310 helixtrans-56.9-22.417866.3177.8-178175.70114.9P39 K44P39-K41 HydrophobicContact CB-CG 4.04Å; P39-K41 PolarHBondContact O-N 3.46Å; K41-K44 WeakPolarHBondContact O-CE 3.49Å
42F88.8Confident85.1Confident96 Ų96110.7 Ų110.742%0.42153%0.526SS..G310 helixtrans-96.8-9.1178.8-60.5-54.6000113.3I38 P39 K40 K44 V49I38-F42 HydrophobicContact CG2-CB 4.16Å; P39-F42 HydrophobicContact CB-CD2 3.71Å; P39-F42 HydrophobicContact CB-CE2 4.05Å; P39-F42 HydrophobicContact CG-CD2 3.79Å; P39-F42 HydrophobicContact CG-CE2 3.89Å; P39-F42 PolarHBondContact O-N 2.9Å; K40-F42 PolarHBondContact O-N 3.48Å; F42-K44 PolarHBondContact O-N 3.48Å; F42-V49 HydrophobicContact CB-CG2 3.92Å
43I86.8Confident85.8Confident25 Ų25111 Ų11113%0.12853%0.528CS..  trans-85.694.9179.6-53.3177.5000108L11 I38 K40L11-I43 HydrophobicContact CB-CG2 3.7Å; L11-I43 HydrophobicContact CD1-CG2 3.91Å; L11-I43 HydrophobicContact CG-CG2 4.48Å; I38-I43 HydrophobicContact CB-CG1 4.49Å; I38-I43 HydrophobicContact CG2-CD1 4.42Å; I38-I43 HydrophobicContact CG2-CG1 3.8Å; K40-I43 PolarHBondContact O-N 3.16Å
44K85.5Confident86.6Confident120 Ų120112.5 Ų112.552%0.52254%0.542SS..  trans-139.2154.5179.7-65.8-178.4-178.8-176.70111E8 K41 F42 R46 I47E8-K44 WeakPolarHBondContact OE1-CA 3.36Å; K41-K44 WeakPolarHBondContact O-CE 3.49Å; F42-K44 PolarHBondContact O-N 3.48Å; K44-R46 PolarHBondContact O-N 3.27Å; K44-I47 HydrophobicContact CB-CB 4.4Å; K44-I47 HydrophobicContact CB-CG1 3.69Å; K44-I47 PolarHBondContact O-N 2.93Å
45S84.8Confident87.3Confident90 Ų90113.7 Ų113.763%0.62955%0.554SS**THydrogen-bonded Turntrans-55.5132.6175.1-169.70000111.8E8 I47E8-S45 PolarHBondContact OE1-N 3.31Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 3.13Å
46R86.5Confident87.6Confident249 Ų249109 Ų10994%0.9454%0.54SS*.THydrogen-bonded Turntrans61.326.3178.3-53.1178-179.8-134.50.4115.5K44K44-R46 PolarHBondContact O-N 3.27Å
47I88.1Confident87.9Confident103 Ų103105.5 Ų105.553%0.52852%0.523SS..  trans-102.9136.9172.4-61.8-55.1000110.7K44 S45 V49K44-I47 HydrophobicContact CB-CB 4.4Å; K44-I47 HydrophobicContact CB-CG1 3.69Å; K44-I47 PolarHBondContact O-N 2.93Å; S45-I47 VanDerWaalsContact C-N 3.29Å; S45-I47 PolarHBondContact O-N 3.13Å; I47-V49 HydrophobicContact CG2-CG2 4.24Å
48L89.7Confident88.2Confident136 Ų13699.4 Ų99.471%0.71250%0.495SS*.  trans-99.7129.7167.8179.863.4000108.7E50L48-E50 HydrophobicContact CD2-CG 4.07Å; L48-E50 VanDerWaalsContact CD2-OE1 3.29Å; L48-E50 WeakPolarHBondContact CD2-OE1 3.35Å; L48-E50 HydrophobicContact CG-CG 4.01Å
49V89Confident88.4Confident48 Ų48101.9 Ų101.929%0.29151%0.505SS..  trans-111.2112.7174.8-178.20000107.7I38 F42 I47 F51I38-V49 HydrophobicContact CG2-CG1 4.39Å; I38-V49 HydrophobicContact CG2-CG2 4.36Å; F42-V49 HydrophobicContact CB-CG2 3.92Å; I47-V49 HydrophobicContact CG2-CG2 4.24Å; V49-F51 HydrophobicContact CG1-CD2 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.83Å; V49-F51 HydrophobicContact CG1-CZ 4.17Å
50E90.2Very high88.7Confident154 Ų154103.1 Ų103.172%0.7251%0.507SS*.  trans-101.7142.8176.1-66.5-177.1171.400110.2L48L48-E50 HydrophobicContact CD2-CG 4.07Å; L48-E50 VanDerWaalsContact CD2-OE1 3.29Å; L48-E50 WeakPolarHBondContact CD2-OE1 3.35Å; L48-E50 HydrophobicContact CG-CG 4.01Å
51F87.5Confident89.2Confident87 Ų87100.6 Ų100.638%0.38250%0.496SS..  trans-113.9121.9175.5-70.5-94.1000108.4I15 I36 I38 V49I15-F51 HydrophobicContact CD1-CD2 3.31Å; I15-F51 HydrophobicContact CD1-CE2 3.47Å; I15-F51 VanDerWaalsContact CD1-CE2 3.47Å; I15-F51 HydrophobicContact CD1-CG 4.21Å; I15-F51 HydrophobicContact CD1-CZ 4.46Å; I15-F51 HydrophobicContact CG1-CE2 4.27Å; I36-F51 HydrophobicContact CG2-CD1 3.93Å; I36-F51 HydrophobicContact CG2-CE1 3.38Å; I36-F51 HydrophobicContact CG2-CZ 3.79Å; I38-F51 HydrophobicContact CD1-CE2 4.4Å; I38-F51 HydrophobicContact CG1-CE2 3.83Å; I38-F51 HydrophobicContact CG1-CZ 3.67Å; V49-F51 HydrophobicContact CG1-CD2 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.83Å; V49-F51 HydrophobicContact CG1-CZ 4.17Å
52E89.2Confident89.5Confident175 Ų17599.7 Ų99.782%0.81850%0.503SS*.PPolyproline II helixtrans-88.3132.2170.5-66.6-179.1172.600109
53P84.8Confident89.9Confident113 Ų11396.7 Ų96.773%0.73449%0.494SS*.PPolyproline II helixtrans-65.3139173.928.4-32.9000109.3T55P53-T55 PolarHBondContact O-N 3.48Å
54N83.5Confident90.4Very high125 Ų12598.1 Ų98.167%0.66850%0.502SS*.PPolyproline II helixtrans-58.3125.4171.2-70.2-7.7000109.1E56N54-E56 PolarHBondContact O-N 2.76Å
55T88.2Confident90.9Very high132 Ų13298.1 Ų98.181%0.8150%0.503SS*.SBendtrans-76.3-14.7177.452.70000112.5P53P53-T55 PolarHBondContact O-N 3.48Å
56E89.2Confident91.5Very high93 Ų9396.8 Ų96.844%0.43549%0.491SS..  trans-133.7133.8178.1-61.3-173.7154.500110.8N54 K72N54-E56 PolarHBondContact O-N 2.76Å; E56-K72 IonicContact OE2-NZ 2.71Å; E56-K72 PolarHBondContact OE2-NZ 3.27Å
57S91.6Very high92Very high13 Ų1384.9 Ų84.99%0.09145%0.447CS..  trans-154.5161.2171.5-166.70000110.1F59 M60S57-F59 PolarHBondContact O-N 3.32Å; S57-F59 WeakPolarHBondContact OG-CD1 3.32Å; S57-M60 WeakPolarHBondContact O-CB 3.24Å; S57-M60 PolarHBondContact O-N 3Å
58C95.6Very high92.4Very high0 Ų084 Ų840%044%0.442CS..G310 helixtrans-57.6-48.7-179.3-54.60000111.6M60 K61 C77 C86 N88C58-M60 PolarHBondContact O-N 3.19Å; C58-K61 WeakPolarHBondContact O-CB 3.32Å; C58-K61 PolarHBondContact O-N 3.46Å; C58-C77 VanDerWaalsContact CA-SG 3.52Å; C58-C77 HydrophobicContact CB-CB 3.73Å; C58-C77 WeakPolarHBondContact CB-SG 3.34Å; C58-C77 WeakPolarHBondContact SG-CA 3.48Å; C58-C77 WeakPolarHBondContact SG-CB 3.03Å; C58-C77 CovalentContact SG-SG 2.02Å; C58-C77 PolarHBondContact SG-SG 3.25Å; C58-C86 WeakPolarHBondContact O-CB 3.36Å; C58-C86 PolarHBondContact O-SG 2.74Å; C58-N88 HydrophobicContact CB-CB 4.35Å
59F94.1Very high92.7Very high66 Ų6684 Ų8429%0.28944%0.443SS..G310 helixtrans-59.6-18.3-177.981.8-90.8000114.9S57 K61 C86 D91 T92 H93S57-F59 PolarHBondContact O-N 3.32Å; S57-F59 WeakPolarHBondContact OG-CD1 3.32Å; F59-K61 VanDerWaalsContact C-N 3.31Å; F59-C86 WeakPolarHBondContact CA-O 3.42Å; F59-D91 HydrophobicContact CB-CB 4.17Å; F59-D91 HydrophobicContact CD1-CB 3.89Å; F59-D91 HydrophobicContact CG-CB 4.41Å; F59-T92 WeakPolarHBondContact CB-OG1 3.04Å; F59-T92 HydrophobicContact CD2-CG2 4.4Å; F59-T92 WeakPolarHBondContact CD2-OG1 3.39Å; F59-T92 HydrophobicContact CE2-CG2 4.27Å; F59-T92 WeakPolarHBondContact CG-OG1 3.48Å; F59-T92 HydrophobicContact CZ-CG2 4.33Å; F59-H93 HydrophobicContact CB-CB 4.47Å; F59-H93 PolarHBondContact O-CE1 3.36Å
60M94.9Very high93Very high85 Ų8582.3 Ų82.342%0.41943%0.434SS..G310 helixtrans-80.3-12.9177.4-56.8-180-177.100112.8S57 C58S57-M60 WeakPolarHBondContact O-CB 3.24Å; S57-M60 PolarHBondContact O-N 3Å; C58-M60 PolarHBondContact O-N 3.19Å
61K96.5Very high93.2Very high54 Ų5477.3 Ų77.324%0.23542%0.416CS..  trans-86.2134.4-177.5-52-60.7174.6174.10110.4C58 F59 T66 C67 A70 C86C58-K61 WeakPolarHBondContact O-CB 3.32Å; C58-K61 PolarHBondContact O-N 3.46Å; F59-K61 VanDerWaalsContact C-N 3.31Å; K61-T66 WeakPolarHBondContact CG-O 3.26Å; K61-C67 HydrophobicContact CB-CB 4.16Å; K61-A70 HydrophobicContact CD-CB 4.11Å; K61-A70 HydrophobicContact CG-CB 3.86Å; K61-C86 HydrophobicContact CB-CB 4.1Å
62V95.7Very high93.4Very high130 Ų13077.5 Ų77.579%0.78842%0.417SS*.  trans-109.5-6.5-168.7-61.50000113.9W79V62-W79 WeakPolarHBondContact O-CH2 3.39Å
63S96.9Very high93.3Very high33 Ų3376.3 Ų76.323%0.23142%0.424CS..SBendtrans-127.9160.9175.190.80000110.9E65 T66 C67 W79S63-E65 VanDerWaalsContact CB-OE2 3.3Å; S63-E65 WeakPolarHBondContact CB-OE2 2.98Å; S63-E65 PolarHBondContact OG-N 3.03Å; S63-E65 PolarHBondContact OG-OE2 3.39Å; S63-T66 PolarHBondContact N-OG1 3.37Å; S63-T66 PolarHBondContact O-OG1 2.88Å; S63-T66 WeakPolarHBondContact OG-CG2 3Å; S63-T66 PolarHBondContact OG-N 2.88Å; S63-T66 VanDerWaalsContact OG-N 3.13Å; S63-T66 PolarHBondContact OG-OG1 2.81Å; S63-C67 WeakPolarHBondContact O-CB 3.43Å; S63-C67 PolarHBondContact O-N 3.3Å; S63-W79 VanDerWaalsContact C-CZ3 3.42Å; S63-W79 WeakPolarHBondContact O-CZ3 2.97Å
64N97Very high93.3Very high55 Ų5577.3 Ų77.329%0.29442%0.423SS..Hα-helixtrans-59.8-47.9176.5-177.120.3000111.2C67 L68 W79N64-C67 WeakPolarHBondContact O-CB 3.42Å; N64-C67 PolarHBondContact O-N 3.28Å; N64-L68 WeakPolarHBondContact O-CG 3.23Å; N64-L68 PolarHBondContact O-N 3.43Å; N64-L68 WeakPolarHBondContact OD1-CD1 3.43Å; N64-W79 HydrophobicContact CB-CB 4.45Å; N64-W79 HydrophobicContact CB-CD2 3.93Å; N64-W79 HydrophobicContact CB-CG 3.79Å; N64-W79 WeakPolarHBondContact OD1-CB 3.33Å
65E97.1Very high93.5Very high120 Ų12072.6 Ų72.656%0.56140%0.398SS*.Hα-helixtrans-60.6-52.8-178.1-52.673-154.700110.1S63 C67 L68 D69S63-E65 VanDerWaalsContact CB-OE2 3.3Å; S63-E65 WeakPolarHBondContact CB-OE2 2.98Å; S63-E65 PolarHBondContact OG-N 3.03Å; S63-E65 PolarHBondContact OG-OE2 3.39Å; E65-C67 PolarHBondContact O-N 3.37Å; E65-L68 PolarHBondContact O-N 2.97Å; E65-D69 WeakPolarHBondContact O-CB 3.34Å; E65-D69 PolarHBondContact O-N 2.85Å
66T97Very high93.8Very high61 Ų6171.5 Ų71.537%0.37438%0.383SS..Hα-helixtrans-65.5-25.6179.858.30000113.4K61 S63 A70K61-T66 WeakPolarHBondContact CG-O 3.26Å; S63-T66 PolarHBondContact N-OG1 3.37Å; S63-T66 PolarHBondContact O-OG1 2.88Å; S63-T66 WeakPolarHBondContact OG-CG2 3Å; S63-T66 PolarHBondContact OG-N 2.88Å; S63-T66 VanDerWaalsContact OG-N 3.13Å; S63-T66 PolarHBondContact OG-OG1 2.81Å; T66-A70 WeakPolarHBondContact O-CB 3.46Å; T66-A70 PolarHBondContact O-N 2.97Å
67C97.2Very high94.1Very high0 Ų067.1 Ų67.10%036%0.363CS..Hα-helixtrans-70.8-51.5174.31770000111.5K61 S63 N64 E65 A70 C77 H78 W79 C86K61-C67 HydrophobicContact CB-CB 4.16Å; S63-C67 WeakPolarHBondContact O-CB 3.43Å; S63-C67 PolarHBondContact O-N 3.3Å; N64-C67 WeakPolarHBondContact O-CB 3.42Å; N64-C67 PolarHBondContact O-N 3.28Å; E65-C67 PolarHBondContact O-N 3.37Å; C67-A70 WeakPolarHBondContact O-CB 3.27Å; C67-A70 PolarHBondContact O-N 3.19Å; C67-C77 WeakPolarHBondContact O-CB 3.47Å; C67-H78 PolarHBondContact SG-O 2.99Å; C67-H78 VanDerWaalsContact SG-O 3.37Å; C67-W79 HydrophobicContact CB-CB 4.44Å; C67-W79 HydrophobicContact CB-CD2 4.5Å; C67-W79 HydrophobicContact CB-CE3 3.62Å; C67-W79 HydrophobicContact CB-CZ3 4.3Å; C67-C86 WeakPolarHBondContact CA-SG 3.45Å; C67-C86 HydrophobicContact CB-CB 3.54Å; C67-C86 WeakPolarHBondContact CB-SG 3.34Å; C67-C86 VanDerWaalsContact SG-CA 3.58Å; C67-C86 WeakPolarHBondContact SG-CB 3.21Å; C67-C86 CovalentContact SG-SG 2.01Å; C67-C86 PolarHBondContact SG-SG 3.28Å
68L95.9Very high94.3Very high84 Ų8468.8 Ų68.844%0.4437%0.369SS..Hα-helixtrans-67.1-41.5-177.5-63.4178.5000111N64 E65 A70 S71N64-L68 WeakPolarHBondContact O-CG 3.23Å; N64-L68 PolarHBondContact O-N 3.43Å; N64-L68 WeakPolarHBondContact OD1-CD1 3.43Å; E65-L68 PolarHBondContact O-N 2.97Å; L68-A70 PolarHBondContact O-N 2.98Å; L68-S71 VanDerWaalsContact O-CB 3.29Å; L68-S71 WeakPolarHBondContact O-CB 3.32Å; L68-S71 PolarHBondContact O-N 3.4Å; L68-S71 VanDerWaalsContact O-N 3.1Å; L68-S71 PolarHBondContact O-OG 2.88Å
69D96Very high94.4Very high136 Ų13670.7 Ų70.773%0.72738%0.376SS*.THydrogen-bonded Turntrans-63.2-22.4176.4-70.4-11.4000113.1E65 S71E65-D69 WeakPolarHBondContact O-CB 3.34Å; E65-D69 PolarHBondContact O-N 2.85Å; D69-S71 PolarHBondContact O-N 3.5Å
70A95.1Very high94.5Very high12 Ų1267.6 Ų67.610%0.09936%0.363CS..THydrogen-bonded Turntrans-78.8-6.8177.900000113.8K61 T66 C67 L68K61-A70 HydrophobicContact CD-CB 4.11Å; K61-A70 HydrophobicContact CG-CB 3.86Å; T66-A70 WeakPolarHBondContact O-CB 3.46Å; T66-A70 PolarHBondContact O-N 2.97Å; C67-A70 WeakPolarHBondContact O-CB 3.27Å; C67-A70 PolarHBondContact O-N 3.19Å; L68-A70 PolarHBondContact O-N 2.98Å
71S94.3Very high94.5Very high49 Ų4969.8 Ų69.834%0.34338%0.376SS..  trans-66132.8179.8-61.10000111.5L68 D69 M75 C77L68-S71 VanDerWaalsContact O-CB 3.29Å; L68-S71 WeakPolarHBondContact O-CB 3.32Å; L68-S71 PolarHBondContact O-N 3.4Å; L68-S71 VanDerWaalsContact O-N 3.1Å; L68-S71 PolarHBondContact O-OG 2.88Å; D69-S71 PolarHBondContact O-N 3.5Å; S71-M75 CarbonylContact C-O 3.52Å; S71-M75 WeakPolarHBondContact CA-O 3.36Å; S71-C77 WeakPolarHBondContact OG-CB 3.29Å; S71-C77 PolarHBondContact OG-N 2.84Å; S71-C77 PolarHBondContact OG-O 3.31Å
72K91.5Very high94.4Very high92 Ų9272.3 Ų72.340%0.440%0.396SS..BIsolated β-bridgetrans-128162.1178.3-63.9176.9-170.8176.50109.5E56 D74 M75E56-K72 IonicContact OE2-NZ 2.71Å; E56-K72 PolarHBondContact OE2-NZ 3.27Å; K72-D74 WeakPolarHBondContact CB-OD1 3.47Å; K72-D74 PolarHBondContact O-N 3.02Å; K72-M75 PolarHBondContact N-O 3.32Å; K72-M75 CarbonylContact O-C 3.59Å; K72-M75 VanDerWaalsContact O-C 3.24Å; K72-M75 PolarHBondContact O-N 3.5Å; K72-M75 VanDerWaalsContact O-O 3.13Å
73P88.1Confident94.3Very high149 Ų14967.3 Ų67.397%0.96837%0.368SS*.THydrogen-bonded Turntrans-54-26.4-178.6-28.736.2000115.4
74D84.3Confident94.3Very high135 Ų13571.5 Ų71.572%0.72239%0.388SS*.THydrogen-bonded Turntrans-103.1-8.3179.563.5-37000114.1K72K72-D74 WeakPolarHBondContact CB-OD1 3.47Å; K72-D74 PolarHBondContact O-N 3.02Å
75M88.3Confident94.3Very high26 Ų2669.9 Ų69.913%0.12838%0.379CS..BIsolated β-bridgetrans-145.193.6-177.9-177.1-17875.800109.9S71 K72 N88S71-M75 CarbonylContact C-O 3.52Å; S71-M75 WeakPolarHBondContact CA-O 3.36Å; K72-M75 PolarHBondContact N-O 3.32Å; K72-M75 CarbonylContact O-C 3.59Å; K72-M75 VanDerWaalsContact O-C 3.24Å; K72-M75 PolarHBondContact O-N 3.5Å; K72-M75 VanDerWaalsContact O-O 3.13Å; M75-N88 HydrophobicContact CG-CB 4.38Å
76E93.1Very high94.3Very high108 Ų10864.2 Ų64.251%0.50535%0.353SS..  trans-82.8124.3174.5-162.7175172.700109.8H78 N88E76-H78 IonicContact OE1-CE1 3.34Å; E76-H78 PolarHBondContact OE1-CE1 3.4Å; E76-H78 IonicContact OE1-NE2 3.84Å; E76-N88 WeakPolarHBondContact O-CA 3.29Å; E76-N88 WeakPolarHBondContact O-CB 3.17Å
77C95.2Very high94.2Very high2 Ų261.3 Ų61.31%0.01434%0.335CS..  trans-103.2137.9178.8-60.90000110.3C58 C67 S71C58-C77 VanDerWaalsContact CA-SG 3.52Å; C58-C77 HydrophobicContact CB-CB 3.73Å; C58-C77 WeakPolarHBondContact CB-SG 3.34Å; C58-C77 WeakPolarHBondContact SG-CA 3.48Å; C58-C77 WeakPolarHBondContact SG-CB 3.03Å; C58-C77 CovalentContact SG-SG 2.02Å; C58-C77 PolarHBondContact SG-SG 3.25Å; C67-C77 WeakPolarHBondContact O-CB 3.47Å; S71-C77 WeakPolarHBondContact OG-CB 3.29Å; S71-C77 PolarHBondContact OG-N 2.84Å; S71-C77 PolarHBondContact OG-O 3.31Å
78H96.3Very high93.9Very high48 Ų4862.7 Ų62.722%0.22234%0.342CS..EExtended strand (participates in β ladder)trans-124.3140.9176.7-56-85.2000110.2C67 E76 C86 S87 W97 I105C67-H78 PolarHBondContact SG-O 2.99Å; C67-H78 VanDerWaalsContact SG-O 3.37Å; E76-H78 IonicContact OE1-CE1 3.34Å; E76-H78 PolarHBondContact OE1-CE1 3.4Å; E76-H78 IonicContact OE1-NE2 3.84Å; H78-C86 WeakPolarHBondContact O-CA 3.35Å; H78-S87 PolarHBondContact N-O 3.17Å; H78-S87 PolarHBondContact O-N 2.96Å; H78-W97 HydrophobicContact CB-CH2 3.58Å; H78-W97 HydrophobicContact CB-CZ2 4.12Å; H78-W97 HydrophobicContact CB-CZ3 4.4Å; H78-W97 WeakPolarHBondContact O-CH2 3.35Å; H78-W97 VanDerWaalsContact O-CZ3 3.26Å; H78-W97 WeakPolarHBondContact O-CZ3 3.44Å; H78-I105 HydrophobicContact CB-CD1 3.99Å; H78-I105 HydrophobicContact CB-CG1 4.09Å; H78-I105 VanDerWaalsContact CD2-CG2 3.43Å; H78-I105 WeakPolarHBondContact CD2-CG2 3.18Å; H78-I105 WeakPolarHBondContact NE2-CG2 3.4Å
79W97Very high93.6Very high39 Ų3959.5 Ų59.515%0.14833%0.33CS..EExtended strand (participates in β ladder)trans-95.3131.4174-174.2-105.2000110.6V62 S63 N64 C67 N84 C86V62-W79 WeakPolarHBondContact O-CH2 3.39Å; S63-W79 VanDerWaalsContact C-CZ3 3.42Å; S63-W79 WeakPolarHBondContact O-CZ3 2.97Å; N64-W79 HydrophobicContact CB-CB 4.45Å; N64-W79 HydrophobicContact CB-CD2 3.93Å; N64-W79 HydrophobicContact CB-CG 3.79Å; N64-W79 WeakPolarHBondContact OD1-CB 3.33Å; C67-W79 HydrophobicContact CB-CB 4.44Å; C67-W79 HydrophobicContact CB-CD2 4.5Å; C67-W79 HydrophobicContact CB-CE3 3.62Å; C67-W79 HydrophobicContact CB-CZ3 4.3Å; W79-N84 HydrophobicContact CZ2-CB 4.36Å; W79-C86 HydrophobicContact CE3-CB 3.79Å; W79-C86 HydrophobicContact CZ3-CB 3.95Å
80C96.8Very high93.1Very high2 Ų258.6 Ų58.61%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-103.1108170.7-179.60000110.9T82 A83 N84 L85 W97 C102C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.34Å; C80-A83 HydrophobicContact CB-CB 4.12Å; C80-A83 PolarHBondContact O-N 3.06Å; C80-N84 WeakPolarHBondContact O-CA 3.17Å; C80-N84 PolarHBondContact O-N 3.24Å; C80-L85 HydrophobicContact CB-CD1 4.44Å; C80-L85 PolarHBondContact N-O 2.01Å; C80-L85 PolarHBondContact O-N 3.5Å; C80-W97 HydrophobicContact CB-CD2 4.37Å; C80-W97 HydrophobicContact CB-CE3 3.82Å; C80-W97 HydrophobicContact CB-CH2 3.63Å; C80-W97 HydrophobicContact CB-CZ2 4.19Å; C80-W97 HydrophobicContact CB-CZ3 3.44Å; C80-W97 VanDerWaalsContact CB-CZ3 3.44Å; C80-C102 HydrophobicContact CB-CB 3.7Å; C80-C102 WeakPolarHBondContact CB-SG 3.3Å; C80-C102 WeakPolarHBondContact SG-CB 2.97Å; C80-C102 CovalentContact SG-SG 2.01Å; C80-C102 PolarHBondContact SG-SG 2.91Å
81L95Very high92.8Very high130 Ų13058.5 Ų58.568%0.68131%0.314SS*.THydrogen-bonded Turntrans-58.2-42.6177.3-69.6167.2000112.5A83 N84L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 3.45Å; L81-N84 PolarHBondContact O-N 2.99Å; L81-N84 PolarHBondContact O-OD1 3.18Å
82T93.9Very high92.4Very high108 Ų10859.2 Ų59.266%0.66332%0.317SS*.THydrogen-bonded Turntrans-64.4-31-178.7-47.70000113C80C80-T82 VanDerWaalsContact C-N 3.34Å; C80-T82 PolarHBondContact O-N 3.34Å
83A94.9Very high92.5Very high24 Ų2457.3 Ų57.320%0.19831%0.309CS..THydrogen-bonded Turntrans-104.7-10.8-175.400000113.5C80 L81 L85 K100C80-A83 HydrophobicContact CB-CB 4.12Å; C80-A83 PolarHBondContact O-N 3.06Å; L81-A83 VanDerWaalsContact C-N 3.26Å; L81-A83 PolarHBondContact O-N 3.45Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 HydrophobicContact CB-CD1 4.43Å; A83-L85 HydrophobicContact CB-CD2 3.79Å; A83-L85 HydrophobicContact CB-CG 3.67Å; A83-L85 PolarHBondContact O-N 2.8Å; A83-K100 HydrophobicContact CB-CB 3.7Å; A83-K100 HydrophobicContact CB-CG 3.85Å
84N96.2Very high92.5Very high121 Ų12152 Ų5265%0.64728%0.275SS*.THydrogen-bonded Turntrans48.748.4-172-70-43.8000112.9W79 C80 L81W79-N84 HydrophobicContact CZ2-CB 4.36Å; C80-N84 WeakPolarHBondContact O-CA 3.17Å; C80-N84 PolarHBondContact O-N 3.24Å; L81-N84 PolarHBondContact O-N 2.99Å; L81-N84 PolarHBondContact O-OD1 3.18Å
85L96.4Very high92.6Very high22 Ų2250.5 Ų50.512%0.11526%0.263CS..EExtended strand (participates in β ladder)trans-142.5155.117962.876.2000111.8C80 A83 H93 A96 W97C80-L85 HydrophobicContact CB-CD1 4.44Å; C80-L85 PolarHBondContact N-O 2.01Å; C80-L85 PolarHBondContact O-N 3.5Å; A83-L85 VanDerWaalsContact C-N 3.29Å; A83-L85 HydrophobicContact CB-CD1 4.43Å; A83-L85 HydrophobicContact CB-CD2 3.79Å; A83-L85 HydrophobicContact CB-CG 3.67Å; A83-L85 PolarHBondContact O-N 2.8Å; L85-H93 HydrophobicContact CD1-CB 3.94Å; L85-H93 HydrophobicContact CD2-CB 4.43Å; L85-A96 HydrophobicContact CD2-CB 3.81Å; L85-W97 HydrophobicContact CD1-CE3 3.51Å; L85-W97 HydrophobicContact CD1-CZ3 4Å
86C97Very high92.8Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-99.8142.4174.5-172.20000110.5C58 F59 K61 C67 H78 W79 H93C58-C86 WeakPolarHBondContact O-CB 3.36Å; C58-C86 PolarHBondContact O-SG 2.74Å; F59-C86 WeakPolarHBondContact CA-O 3.42Å; K61-C86 HydrophobicContact CB-CB 4.1Å; C67-C86 WeakPolarHBondContact CA-SG 3.45Å; C67-C86 HydrophobicContact CB-CB 3.54Å; C67-C86 WeakPolarHBondContact CB-SG 3.34Å; C67-C86 VanDerWaalsContact SG-CA 3.58Å; C67-C86 WeakPolarHBondContact SG-CB 3.21Å; C67-C86 CovalentContact SG-SG 2.01Å; C67-C86 PolarHBondContact SG-SG 3.28Å; H78-C86 WeakPolarHBondContact O-CA 3.35Å; W79-C86 HydrophobicContact CE3-CB 3.79Å; W79-C86 HydrophobicContact CZ3-CB 3.95Å; C86-H93 PolarHBondContact O-ND1 2.85Å
87S95.3Very high92.8Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-155.2153.4174.3-172.50000112.6H78 G89 D91 W97H78-S87 PolarHBondContact N-O 3.17Å; H78-S87 PolarHBondContact O-N 2.96Å; S87-G89 PolarHBondContact OG-N 3.1Å; S87-D91 WeakPolarHBondContact CA-OD2 3.14Å; S87-D91 VanDerWaalsContact OG-CG 3.25Å; S87-D91 PolarHBondContact OG-OD1 3.12Å; S87-D91 PolarHBondContact OG-OD2 2.95Å; S87-W97 VanDerWaalsContact CB-CE3 3.42Å
88N92.2Very high92.6Very high29 Ų2953.4 Ų53.416%0.15528%0.283CS..  trans-96.910.4164.26512.5000113.6C58 M75 E76 R90 D91C58-N88 HydrophobicContact CB-CB 4.35Å; M75-N88 HydrophobicContact CG-CB 4.38Å; E76-N88 WeakPolarHBondContact O-CA 3.29Å; E76-N88 WeakPolarHBondContact O-CB 3.17Å; N88-R90 PolarHBondContact O-N 3.33Å; N88-R90 WeakPolarHBondContact OD1-CA 3.44Å; N88-R90 PolarHBondContact OD1-N 3.48Å; N88-D91 PolarHBondContact N-OD2 2.73Å; N88-D91 WeakPolarHBondContact OD1-CB 3.16Å; N88-D91 PolarHBondContact OD1-N 3.16Å; N88-D91 PolarHBondContact OD1-OD2 2.75Å
89G88.5Confident92.4Very high18 Ų1857.3 Ų57.319%0.18630%0.304CS..SBendtrans77.2-7-178.400000115.1S87 S94S87-G89 PolarHBondContact OG-N 3.1Å; G89-S94 WeakPolarHBondContact O-CB 3.44Å
90R85.3Confident92.2Very high116 Ų11660.9 Ų60.944%0.43832%0.321SS..SBendtrans-125.5-1.2-179.1-71-178.6-85.3-171.5-12.1114N88 K108N88-R90 PolarHBondContact O-N 3.33Å; N88-R90 WeakPolarHBondContact OD1-CA 3.44Å; N88-R90 PolarHBondContact OD1-N 3.48Å; R90-K108 PolarHBondContact NH2-O 2.82Å
91D88.4Confident92Very high11 Ų1167.7 Ų67.76%0.05936%0.357CS..SBendtrans-89.4-172.3178.560.134.7000112.9F59 S87 N88 H93 S94F59-D91 HydrophobicContact CB-CB 4.17Å; F59-D91 HydrophobicContact CD1-CB 3.89Å; F59-D91 HydrophobicContact CG-CB 4.41Å; S87-D91 WeakPolarHBondContact CA-OD2 3.14Å; S87-D91 VanDerWaalsContact OG-CG 3.25Å; S87-D91 PolarHBondContact OG-OD1 3.12Å; S87-D91 PolarHBondContact OG-OD2 2.95Å; N88-D91 PolarHBondContact N-OD2 2.73Å; N88-D91 WeakPolarHBondContact OD1-CB 3.16Å; N88-D91 PolarHBondContact OD1-N 3.16Å; N88-D91 PolarHBondContact OD1-OD2 2.75Å; D91-H93 PolarHBondContact O-N 2.9Å; D91-H93 VanDerWaalsContact O-N 3.16Å; D91-H93 WeakPolarHBondContact OD1-CB 3.39Å; D91-H93 PolarHBondContact OD1-N 2.87Å; D91-S94 VanDerWaalsContact O-CB 3.27Å; D91-S94 WeakPolarHBondContact O-CB 3.41Å; D91-S94 PolarHBondContact O-N 2.98Å; D91-S94 VanDerWaalsContact O-N 3.09Å; D91-S94 PolarHBondContact O-OG 2.97Å
92T87.5Confident92Very high63 Ų6362.2 Ų62.239%0.38733%0.329SS..THydrogen-bonded Turntrans-56.9-26.1179.652.70000113Y33 F59Y33-T92 WeakPolarHBondContact OH-CA 3.43Å; Y33-T92 WeakPolarHBondContact OH-CG2 3.07Å; F59-T92 WeakPolarHBondContact CB-OG1 3.04Å; F59-T92 HydrophobicContact CD2-CG2 4.4Å; F59-T92 WeakPolarHBondContact CD2-OG1 3.39Å; F59-T92 HydrophobicContact CE2-CG2 4.27Å; F59-T92 WeakPolarHBondContact CG-OG1 3.48Å; F59-T92 HydrophobicContact CZ-CG2 4.33Å
93H92Very high91.8Very high52 Ų5261.6 Ų61.624%0.24133%0.327CS..THydrogen-bonded Turntrans-86.4-5.6-179.3-70173.1000113.5F59 L85 C86 D91 K95 A96 W97F59-H93 HydrophobicContact CB-CB 4.47Å; F59-H93 PolarHBondContact O-CE1 3.36Å; L85-H93 HydrophobicContact CD1-CB 3.94Å; L85-H93 HydrophobicContact CD2-CB 4.43Å; C86-H93 PolarHBondContact O-ND1 2.85Å; D91-H93 PolarHBondContact O-N 2.9Å; D91-H93 VanDerWaalsContact O-N 3.16Å; D91-H93 WeakPolarHBondContact OD1-CB 3.39Å; D91-H93 PolarHBondContact OD1-N 2.87Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.36Å; H93-A96 PolarHBondContact O-N 3.47Å; H93-W97 WeakPolarHBondContact O-CB 3.46Å; H93-W97 PolarHBondContact O-N 3.41Å
94S88.4Confident91.5Very high37 Ų3770.1 Ų70.126%0.25936%0.359SS..Hα-helixtrans-51.5-44.2-18054.80000114G89 D91 W97 M98G89-S94 WeakPolarHBondContact O-CB 3.44Å; D91-S94 VanDerWaalsContact O-CB 3.27Å; D91-S94 WeakPolarHBondContact O-CB 3.41Å; D91-S94 PolarHBondContact O-N 2.98Å; D91-S94 VanDerWaalsContact O-N 3.09Å; D91-S94 PolarHBondContact O-OG 2.97Å; S94-W97 WeakPolarHBondContact O-CB 3.19Å; S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.37Å
95K87.3Confident91.1Very high105 Ų10565.3 Ų65.346%0.45733%0.334SS..Hα-helixtrans-64.7-47.3175.6-72.6-173.8173.4-173.10112.1Y19 E31 H93 W97 M98 I99Y19-K95 PolarHBondContact OH-NZ 2.84Å; E31-K95 IonicContact OE2-NZ 2.73Å; E31-K95 PolarHBondContact OE2-NZ 3.3Å; H93-K95 VanDerWaalsContact C-N 3.32Å; H93-K95 PolarHBondContact O-N 3.36Å; K95-W97 VanDerWaalsContact C-N 3.31Å; K95-W97 PolarHBondContact O-N 3.33Å; K95-M98 PolarHBondContact O-N 2.99Å; K95-I99 VanDerWaalsContact O-CG1 3.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.31Å; K95-I99 PolarHBondContact O-N 3.23Å
96A91.2Very high90.1Very high36 Ų3671 Ų7130%0.29836%0.364SS..Hα-helixtrans-63.5-38.7179.400000111.6L85 H93 M98 I99 K100L85-A96 HydrophobicContact CD2-CB 3.81Å; H93-A96 PolarHBondContact O-N 3.47Å; A96-M98 PolarHBondContact O-N 3.25Å; A96-I99 PolarHBondContact O-N 3.21Å; A96-K100 WeakPolarHBondContact O-CB 3.14Å; A96-K100 WeakPolarHBondContact O-CG 3.42Å; A96-K100 PolarHBondContact O-N 3.1Å
97W93.4Very high88.5Confident14 Ų1475.3 Ų75.35%0.05339%0.387CS..Hα-helixtrans-55.7-48.3174.5-169.6-80.9000111.7H78 C80 L85 S87 H93 S94 K95 N101 C102 P103 I105H78-W97 HydrophobicContact CB-CH2 3.58Å; H78-W97 HydrophobicContact CB-CZ2 4.12Å; H78-W97 HydrophobicContact CB-CZ3 4.4Å; H78-W97 WeakPolarHBondContact O-CH2 3.35Å; H78-W97 VanDerWaalsContact O-CZ3 3.26Å; H78-W97 WeakPolarHBondContact O-CZ3 3.44Å; C80-W97 HydrophobicContact CB-CD2 4.37Å; C80-W97 HydrophobicContact CB-CE3 3.82Å; C80-W97 HydrophobicContact CB-CH2 3.63Å; C80-W97 HydrophobicContact CB-CZ2 4.19Å; C80-W97 HydrophobicContact CB-CZ3 3.44Å; C80-W97 VanDerWaalsContact CB-CZ3 3.44Å; L85-W97 HydrophobicContact CD1-CE3 3.51Å; L85-W97 HydrophobicContact CD1-CZ3 4Å; S87-W97 VanDerWaalsContact CB-CE3 3.42Å; H93-W97 WeakPolarHBondContact O-CB 3.46Å; H93-W97 PolarHBondContact O-N 3.41Å; S94-W97 WeakPolarHBondContact O-CB 3.19Å; K95-W97 VanDerWaalsContact C-N 3.31Å; K95-W97 PolarHBondContact O-N 3.33Å; W97-N101 PolarHBondContact O-N 2.84Å; W97-C102 HydrophobicContact CD2-CB 3.56Å; W97-C102 HydrophobicContact CE3-CB 4.3Å; W97-C102 HydrophobicContact CG-CB 3.69Å; W97-C102 HydrophobicContact CZ2-CB 3.81Å; W97-C102 VanDerWaalsContact NE1-CB 3.29Å; W97-C102 WeakPolarHBondContact O-CB 3.49Å; W97-C102 PolarHBondContact O-N 3.16Å; W97-C102 VanDerWaalsContact O-N 3.13Å; W97-C102 PolarHBondContact O-SG 2.01Å; W97-P103 PolarHBondContact NE1-O 2.02Å; W97-I105 HydrophobicContact CD2-CD1 3.98Å; W97-I105 HydrophobicContact CE3-CD1 4.32Å; W97-I105 HydrophobicContact CH2-CD1 3.93Å; W97-I105 HydrophobicContact CH2-CG1 4.37Å; W97-I105 HydrophobicContact CZ2-CD1 3.54Å; W97-I105 HydrophobicContact CZ2-CG1 3.63Å; W97-I105 HydrophobicContact CZ3-CD1 4.29Å
98M90.6Very high86.9Confident147 Ų14782.5 Ų82.572%0.72442%0.419SS*.Hα-helixtrans-66.2-47.1176.6-68.8179.273.500112.3S94 K95 A96 K100 N101S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.37Å; K95-M98 PolarHBondContact O-N 2.99Å; A96-M98 PolarHBondContact O-N 3.25Å; M98-K100 VanDerWaalsContact C-N 3.25Å; M98-K100 PolarHBondContact O-N 3.03Å; M98-N101 PolarHBondContact O-N 2.83Å; M98-N101 VanDerWaalsContact O-N 3.16Å
99I92.1Very high85.3Confident129 Ų12985.7 Ų85.766%0.66244%0.441SS*.Hα-helixtrans-62-35-178-69.7166.5000111.6K95 A96 N101K95-I99 VanDerWaalsContact O-CG1 3.3Å; K95-I99 WeakPolarHBondContact O-CG1 3.31Å; K95-I99 PolarHBondContact O-N 3.23Å; A96-I99 PolarHBondContact O-N 3.21Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.92Å
100K94.1Very high83.7Confident115 Ų11592.6 Ų92.650%0.547%0.47SS..THydrogen-bonded Turntrans-88.710.8-178.9-64.6-66.5-172.8175.80113.9A83 A96 M98 C102A83-K100 HydrophobicContact CB-CB 3.7Å; A83-K100 HydrophobicContact CB-CG 3.85Å; A96-K100 WeakPolarHBondContact O-CB 3.14Å; A96-K100 WeakPolarHBondContact O-CG 3.42Å; A96-K100 PolarHBondContact O-N 3.1Å; M98-K100 VanDerWaalsContact C-N 3.25Å; M98-K100 PolarHBondContact O-N 3.03Å; K100-C102 PolarHBondContact O-N 3.21Å
101N92.1Very high82.4Confident145 Ų14595.2 Ų95.278%0.77549%0.485SS*.THydrogen-bonded Turntrans53.739.2178-60.5-50.3000113.2W97 M98 I99W97-N101 PolarHBondContact O-N 2.84Å; M98-N101 PolarHBondContact O-N 2.83Å; M98-N101 VanDerWaalsContact O-N 3.16Å; I99-N101 VanDerWaalsContact C-N 3.29Å; I99-N101 PolarHBondContact O-N 2.92Å
102C94.5Very high81.2Confident14 Ų14100.1 Ų100.110%0.09551%0.511CS..PPolyproline II helixtrans-68153.4173.1-59.10000110.6C80 W97 K100C80-C102 HydrophobicContact CB-CB 3.7Å; C80-C102 WeakPolarHBondContact CB-SG 3.3Å; C80-C102 WeakPolarHBondContact SG-CB 2.97Å; C80-C102 CovalentContact SG-SG 2.01Å; C80-C102 PolarHBondContact SG-SG 2.91Å; W97-C102 HydrophobicContact CD2-CB 3.56Å; W97-C102 HydrophobicContact CE3-CB 4.3Å; W97-C102 HydrophobicContact CG-CB 3.69Å; W97-C102 HydrophobicContact CZ2-CB 3.81Å; W97-C102 VanDerWaalsContact NE1-CB 3.29Å; W97-C102 WeakPolarHBondContact O-CB 3.49Å; W97-C102 PolarHBondContact O-N 3.16Å; W97-C102 VanDerWaalsContact O-N 3.13Å; W97-C102 PolarHBondContact O-SG 2.01Å; K100-C102 PolarHBondContact O-N 3.21Å
103P91.6Very high80.3Confident95 Ų95104.3 Ų104.362%0.61752%0.521SS*.PPolyproline II helixtrans-53.7143.2177.7-25.634.6000111.9W97 I105W97-P103 PolarHBondContact NE1-O 2.02Å; P103-I105 PolarHBondContact O-N 3.33Å
104K88.3Confident79.6Confident203 Ų203106.2 Ų106.288%0.88353%0.533SS*.PPolyproline II helixtrans-62.4127.9177.5-69.9-176.7179.6177.80109.3
105I86.9Confident79.1Confident21 Ų21113.7 Ų113.711%0.10856%0.556CS.*PPolyproline II helixtrans-82.5125.1171-65169.1000107.2H78 W97 P103 N107H78-I105 HydrophobicContact CB-CD1 3.99Å; H78-I105 HydrophobicContact CB-CG1 4.09Å; H78-I105 VanDerWaalsContact CD2-CG2 3.43Å; H78-I105 WeakPolarHBondContact CD2-CG2 3.18Å; H78-I105 WeakPolarHBondContact NE2-CG2 3.4Å; W97-I105 HydrophobicContact CD2-CD1 3.98Å; W97-I105 HydrophobicContact CE3-CD1 4.32Å; W97-I105 HydrophobicContact CH2-CD1 3.93Å; W97-I105 HydrophobicContact CH2-CG1 4.37Å; W97-I105 HydrophobicContact CZ2-CD1 3.54Å; W97-I105 HydrophobicContact CZ2-CG1 3.63Å; W97-I105 HydrophobicContact CZ3-CD1 4.29Å; P103-I105 PolarHBondContact O-N 3.33Å; I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 3.03Å
106D75.8Confident78.8Confident140 Ų140112.9 Ų112.975%0.74956%0.56SS**  trans-68.792.9174.3-74.5-27.8000108.8K108D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 3.09Å
107N64.1Low78.6Confident91 Ų91114.3 Ų114.349%0.48756%0.562SS.*  trans-6791.2178.5-72.6-40.6000109.5I105I105-N107 VanDerWaalsContact C-N 3.32Å; I105-N107 PolarHBondContact O-N 3.03Å
108K61.7Low78.4Confident152 Ų152117.6 Ų117.666%0.66158%0.58SS**  trans-63.1130.3164.8-72-171.9-171.8179.30108.4R90 D106 M110R90-K108 PolarHBondContact NH2-O 2.82Å; D106-K108 VanDerWaalsContact C-N 3.32Å; D106-K108 PolarHBondContact O-N 3.09Å; K108-M110 PolarHBondContact O-N 3.16Å
109P57.4Low78.5Confident96 Ų96114 Ų11462%0.62357%0.568SS**  trans-55.2135.617622.7-31.7000109.3F111P109-F111 CarbonylContact O-C 3.57Å; P109-F111 PolarHBondContact O-N 2.97Å
110M55.5Low78.4Confident163 Ų163111 Ų11180%0.80356%0.558SS**SBendtrans-59-27.6179-168.9175.7145.900111.7K108 N112K108-M110 PolarHBondContact O-N 3.16Å; M110-N112 PolarHBondContact O-N 3.19Å
111F58.7Low78.5Confident171 Ų171109.3 Ų109.375%0.7556%0.557SS**SBendtrans-78.4112.5169.3-71.9-76.9000109.2P109 Y113P109-F111 CarbonylContact O-C 3.57Å; P109-F111 PolarHBondContact O-N 2.97Å; F111-Y113 PolarHBondContact O-N 3.27Å
112N61.9Low78.7Confident113 Ų113106.9 Ų106.960%0.60454%0.543SS*.  trans-59.6103.7170.6-164.7-10.6000108M110 L114 Y115M110-N112 PolarHBondContact O-N 3.19Å; N112-L114 PolarHBondContact O-N 2.98Å; N112-L114 WeakPolarHBondContact OD1-CB 3.49Å; N112-L114 PolarHBondContact OD1-N 2.86Å; N112-Y115 WeakPolarHBondContact O-CB 3.47Å; N112-Y115 PolarHBondContact O-N 2.94Å
113Y69.7Low78.7Confident151 Ų151107.7 Ų107.759%0.59255%0.554SS**Hα-helixtrans-53.3-25.6-177.9-173.8-121.5000111.6F111 Y115 V116 L117F111-Y113 PolarHBondContact O-N 3.27Å; Y113-Y115 VanDerWaalsContact C-N 3.26Å; Y113-Y115 PolarHBondContact O-N 2.63Å; Y113-V116 PolarHBondContact O-N 2.91Å; Y113-L117 HydrophobicContact CD1-CD1 3.17Å; Y113-L117 HydrophobicContact CD1-CD2 4.3Å; Y113-L117 HydrophobicContact CD1-CG 3.49Å; Y113-L117 VanDerWaalsContact CD1-CG 3.49Å; Y113-L117 HydrophobicContact CD2-CG 4.48Å; Y113-L117 HydrophobicContact CE1-CD1 3.14Å; Y113-L117 HydrophobicContact CE1-CD2 3.52Å; Y113-L117 HydrophobicContact CE1-CG 3.22Å; Y113-L117 HydrophobicContact CE2-CD2 4.49Å; Y113-L117 HydrophobicContact CE2-CG 4.25Å; Y113-L117 HydrophobicContact CG-CD1 4.14Å; Y113-L117 HydrophobicContact CG-CG 4.12Å; Y113-L117 WeakPolarHBondContact O-CB 3.05Å; Y113-L117 PolarHBondContact O-N 2.9Å; Y113-L117 WeakPolarHBondContact OH-CD2 3.36Å
114L75.9Confident78.9Confident93 Ų93108.3 Ų108.349%0.48755%0.552SS.*Hα-helixtrans-52.4-40.2171.8-16568.1000113.1N112 V116 I118N112-L114 PolarHBondContact O-N 2.98Å; N112-L114 WeakPolarHBondContact OD1-CB 3.49Å; N112-L114 PolarHBondContact OD1-N 2.86Å; L114-V116 VanDerWaalsContact C-N 3.26Å; L114-V116 PolarHBondContact O-N 3.01Å; L114-I118 HydrophobicContact CD1-CD1 3.75Å; L114-I118 HydrophobicContact CD1-CG1 4.01Å; L114-I118 HydrophobicContact CD2-CD1 4.2Å; L114-I118 HydrophobicContact CG-CD1 3.55Å; L114-I118 HydrophobicContact CG-CG1 4.14Å; L114-I118 WeakPolarHBondContact O-CB 3.42Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 2.77Å
115Y78.2Confident79.3Confident193 Ų193102.5 Ų102.576%0.75753%0.533SS*.Hα-helixtrans-70.9-22179.9-161.2-93.4000113N112 Y113 P119N112-Y115 WeakPolarHBondContact O-CB 3.47Å; N112-Y115 PolarHBondContact O-N 2.94Å; Y113-Y115 VanDerWaalsContact C-N 3.26Å; Y113-Y115 PolarHBondContact O-N 2.63Å; Y115-P119 WeakPolarHBondContact O-CD 3.48Å; Y115-P119 VanDerWaalsContact O-CG 3.29Å; Y115-P119 WeakPolarHBondContact O-CG 3.41Å
116V82.3Confident79.7Confident89 Ų89106.9 Ų106.954%0.53956%0.556SS.*Hα-helixtrans-91.5-41.4176.4-179.30000110.7Y113 L114 S120Y113-V116 PolarHBondContact O-N 2.91Å; L114-V116 VanDerWaalsContact C-N 3.26Å; L114-V116 PolarHBondContact O-N 3.01Å; V116-S120 WeakPolarHBondContact O-CB 3.07Å; V116-S120 PolarHBondContact O-N 3.17Å
117L85.6Confident80.7Confident65 Ų65103.9 Ų103.934%0.3454%0.543SS..Hα-helixtrans-65-47.5178.6-83.4177.9000112.9Y113 S120 V121Y113-L117 HydrophobicContact CD1-CD1 3.17Å; Y113-L117 HydrophobicContact CD1-CD2 4.3Å; Y113-L117 HydrophobicContact CD1-CG 3.49Å; Y113-L117 VanDerWaalsContact CD1-CG 3.49Å; Y113-L117 HydrophobicContact CD2-CG 4.48Å; Y113-L117 HydrophobicContact CE1-CD1 3.14Å; Y113-L117 HydrophobicContact CE1-CD2 3.52Å; Y113-L117 HydrophobicContact CE1-CG 3.22Å; Y113-L117 HydrophobicContact CE2-CD2 4.49Å; Y113-L117 HydrophobicContact CE2-CG 4.25Å; Y113-L117 HydrophobicContact CG-CD1 4.14Å; Y113-L117 HydrophobicContact CG-CG 4.12Å; Y113-L117 WeakPolarHBondContact O-CB 3.05Å; Y113-L117 PolarHBondContact O-N 2.9Å; Y113-L117 WeakPolarHBondContact OH-CD2 3.36Å; L117-S120 PolarHBondContact O-N 3.22Å; L117-V121 WeakPolarHBondContact O-CG2 3.46Å; L117-V121 PolarHBondContact O-N 2.8Å
118I89.5Confident82.2Confident83 Ų83103 Ų10343%0.42654%0.542SS..Hα-helixtrans-58.8-53.1-172.8-71.1174.5000111L114 S120 V121 I122L114-I118 HydrophobicContact CD1-CD1 3.75Å; L114-I118 HydrophobicContact CD1-CG1 4.01Å; L114-I118 HydrophobicContact CD2-CD1 4.2Å; L114-I118 HydrophobicContact CG-CD1 3.55Å; L114-I118 HydrophobicContact CG-CG1 4.14Å; L114-I118 WeakPolarHBondContact O-CB 3.42Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.35Å; L114-I118 PolarHBondContact O-N 2.77Å; I118-S120 VanDerWaalsContact C-N 3.3Å; I118-S120 PolarHBondContact O-N 3.43Å; I118-V121 PolarHBondContact O-N 2.93Å; I118-I122 HydrophobicContact CG2-CD1 3.59Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 VanDerWaalsContact O-CG1 3.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 3.36Å
119P92.4Very high83.9Confident72 Ų7299.5 Ų99.547%0.46853%0.534SS..Hα-helixtrans-63.9-34.3177.6-22.735.1000113.2Y115 G123Y115-P119 WeakPolarHBondContact O-CD 3.48Å; Y115-P119 VanDerWaalsContact O-CG 3.29Å; Y115-P119 WeakPolarHBondContact O-CG 3.41Å; P119-G123 PolarHBondContact O-N 2.88Å
120S91Very high85.7Confident65 Ų6596.8 Ų96.846%0.45552%0.523SS..Hα-helixtrans-64.2-46177.6178.90000111.8V116 L117 I118 G123 L124V116-S120 WeakPolarHBondContact O-CB 3.07Å; V116-S120 PolarHBondContact O-N 3.17Å; L117-S120 PolarHBondContact O-N 3.22Å; I118-S120 VanDerWaalsContact C-N 3.3Å; I118-S120 PolarHBondContact O-N 3.43Å; S120-G123 PolarHBondContact O-N 3.12Å; S120-L124 WeakPolarHBondContact O-CG 3.49Å; S120-L124 PolarHBondContact O-N 2.89Å
121V95.5Very high87.6Confident80 Ų8095.3 Ų95.349%0.48551%0.513SS..Hα-helixtrans-66.3-43.8177.3175.20000110.8L117 I118 G123 L124 V125L117-V121 WeakPolarHBondContact O-CG2 3.46Å; L117-V121 PolarHBondContact O-N 2.8Å; I118-V121 PolarHBondContact O-N 2.93Å; V121-G123 VanDerWaalsContact C-N 3.32Å; V121-G123 PolarHBondContact O-N 3.13Å; V121-L124 PolarHBondContact O-N 3.15Å; V121-V125 HydrophobicContact CG1-CG2 4.49Å; V121-V125 WeakPolarHBondContact O-CG2 3.32Å; V121-V125 PolarHBondContact O-N 3.19Å
122I95.5Very high89.3Confident94 Ų9491.7 Ų91.748%0.48250%0.5SS..Hα-helixtrans-59.5-45.3176.2-68.1167.8000110.6I118 L124 V125 I126I118-I122 HydrophobicContact CG2-CD1 3.59Å; I118-I122 HydrophobicContact CG2-CG1 4.43Å; I118-I122 VanDerWaalsContact O-CG1 3.24Å; I118-I122 WeakPolarHBondContact O-CG1 3.33Å; I118-I122 PolarHBondContact O-N 3.36Å; I122-L124 PolarHBondContact O-N 2.96Å; I122-V125 PolarHBondContact O-N 2.91Å; I122-I126 HydrophobicContact CG2-CD1 3.8Å; I122-I126 VanDerWaalsContact O-CG1 3.32Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 2.96Å
123G95Very high90.9Very high32 Ų3290 Ų9033%0.3349%0.493SS..Hα-helixtrans-59.4-46.4176.700000112.6P119 S120 V121 V125 I126 V127P119-G123 PolarHBondContact O-N 2.88Å; S120-G123 PolarHBondContact O-N 3.12Å; V121-G123 VanDerWaalsContact C-N 3.32Å; V121-G123 PolarHBondContact O-N 3.13Å; G123-V125 PolarHBondContact O-N 2.96Å; G123-I126 PolarHBondContact O-N 3.4Å; G123-V127 WeakPolarHBondContact O-CG2 3.06Å; G123-V127 PolarHBondContact O-N 3.23Å
124L96.1Very high91.9Very high107 Ų10791 Ų9156%0.5650%0.496SS*.Hα-helixtrans-61.3-42.6176.9-74168.4000112.2S120 V121 I122 V127 C128S120-L124 WeakPolarHBondContact O-CG 3.49Å; S120-L124 PolarHBondContact O-N 2.89Å; V121-L124 PolarHBondContact O-N 3.15Å; I122-L124 PolarHBondContact O-N 2.96Å; L124-V127 PolarHBondContact O-N 3.43Å; L124-C128 WeakPolarHBondContact O-CB 3.3Å; L124-C128 PolarHBondContact O-N 3.17Å; L124-C128 PolarHBondContact O-SG 2.82Å
125V96.4Very high92.7Very high82 Ų8293.2 Ų93.250%0.49750%0.502SS..Hα-helixtrans-62.8-44.3177.3172.80000111.1V121 I122 G123 V127 C128 V129V121-V125 HydrophobicContact CG1-CG2 4.49Å; V121-V125 WeakPolarHBondContact O-CG2 3.32Å; V121-V125 PolarHBondContact O-N 3.19Å; I122-V125 PolarHBondContact O-N 2.91Å; G123-V125 PolarHBondContact O-N 2.96Å; V125-V127 PolarHBondContact O-N 3.23Å; V125-C128 PolarHBondContact O-N 3.46Å; V125-V129 HydrophobicContact CG1-CG2 4.3Å; V125-V129 WeakPolarHBondContact O-CB 3.32Å; V125-V129 VanDerWaalsContact O-CG2 3.28Å; V125-V129 WeakPolarHBondContact O-CG2 3.15Å; V125-V129 PolarHBondContact O-N 2.89Å
126I96.6Very high93.3Very high112 Ų11292 Ų9257%0.57450%0.496SS*.Hα-helixtrans-61.9-44.4177.6-67166000110.8I122 G123 V129 G130I122-I126 HydrophobicContact CG2-CD1 3.8Å; I122-I126 VanDerWaalsContact O-CG1 3.32Å; I122-I126 WeakPolarHBondContact O-CG1 3.44Å; I122-I126 PolarHBondContact O-N 2.96Å; G123-I126 PolarHBondContact O-N 3.4Å; I126-V129 PolarHBondContact O-N 2.89Å; I126-G130 PolarHBondContact O-N 3.31Å
127V96.5Very high93.6Very high78 Ų7893 Ų9347%0.47350%0.498SS..Hα-helixtrans-61.5-48.1176.6170.70000110.5G123 L124 V125 V129 G130 F131G123-V127 WeakPolarHBondContact O-CG2 3.06Å; G123-V127 PolarHBondContact O-N 3.23Å; L124-V127 PolarHBondContact O-N 3.43Å; V125-V127 PolarHBondContact O-N 3.23Å; V127-V129 PolarHBondContact O-N 3.34Å; V127-G130 PolarHBondContact O-N 3.32Å; V127-F131 HydrophobicContact CG1-CD2 3.61Å; V127-F131 HydrophobicContact CG1-CE2 3.64Å; V127-F131 VanDerWaalsContact O-CD2 3.3Å; V127-F131 WeakPolarHBondContact O-CD2 3.35Å; V127-F131 PolarHBondContact O-N 3.13Å
128C96.1Very high93.7Very high71 Ų7193 Ų9348%0.4850%0.503SS..Hα-helixtrans-60.5-45.5178.1-71.40000112.4L124 V125 G130 F131 I132L124-C128 WeakPolarHBondContact O-CB 3.3Å; L124-C128 PolarHBondContact O-N 3.17Å; L124-C128 PolarHBondContact O-SG 2.82Å; V125-C128 PolarHBondContact O-N 3.46Å; C128-G130 VanDerWaalsContact C-N 3.34Å; C128-G130 PolarHBondContact O-N 3.03Å; C128-F131 PolarHBondContact O-N 3.31Å; C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.19Å; C128-I132 PolarHBondContact O-N 2.84Å
129V96.2Very high93.4Very high80 Ų8097 Ų9749%0.48552%0.518SS..Hα-helixtrans-62.9-42.6176.7172.70000110.5V125 I126 V127 I132 V133V125-V129 HydrophobicContact CG1-CG2 4.3Å; V125-V129 WeakPolarHBondContact O-CB 3.32Å; V125-V129 VanDerWaalsContact O-CG2 3.28Å; V125-V129 WeakPolarHBondContact O-CG2 3.15Å; V125-V129 PolarHBondContact O-N 2.89Å; I126-V129 PolarHBondContact O-N 2.89Å; V127-V129 PolarHBondContact O-N 3.34Å; V129-I132 PolarHBondContact O-N 2.75Å; V129-V133 HydrophobicContact CG1-CG2 4.32Å; V129-V133 VanDerWaalsContact O-CG2 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.06Å
130G95.1Very high92.6Very high39 Ų39103.7 Ų103.740%0.40253%0.534SS..Hα-helixtrans-59.7-45.4175.200000112.9I126 V127 C128 V133 W134I126-G130 PolarHBondContact O-N 3.31Å; V127-G130 PolarHBondContact O-N 3.32Å; C128-G130 VanDerWaalsContact C-N 3.34Å; C128-G130 PolarHBondContact O-N 3.03Å; G130-V133 PolarHBondContact O-N 3Å; G130-W134 VanDerWaalsContact O-CB 3.32Å; G130-W134 WeakPolarHBondContact O-CB 3.45Å; G130-W134 PolarHBondContact O-N 3.09Å
131F95.6Very high91.2Very high132 Ų132111.9 Ų111.958%0.57957%0.565SS**Hα-helixtrans-62.7-42.4175.3-92.6-76.1000112.5V127 C128 F135V127-F131 HydrophobicContact CG1-CD2 3.61Å; V127-F131 HydrophobicContact CG1-CE2 3.64Å; V127-F131 VanDerWaalsContact O-CD2 3.3Å; V127-F131 WeakPolarHBondContact O-CD2 3.35Å; V127-F131 PolarHBondContact O-N 3.13Å; C128-F131 PolarHBondContact O-N 3.31Å; F131-F135 VanDerWaalsContact O-CB 3.28Å; F131-F135 WeakPolarHBondContact O-CB 3.34Å; F131-F135 PolarHBondContact O-N 3.32Å
132I94.8Very high90.9Very high94 Ų94113.5 Ų113.548%0.48257%0.569SS.*Hα-helixtrans-62-53.5176.8-69.4166.1000109.3C128 V129 W134 F135 W136C128-I132 VanDerWaalsContact O-CG1 3.24Å; C128-I132 WeakPolarHBondContact O-CG1 3.19Å; C128-I132 PolarHBondContact O-N 2.84Å; V129-I132 PolarHBondContact O-N 2.75Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 2.71Å; I132-F135 PolarHBondContact O-N 3.46Å; I132-F135 VanDerWaalsContact O-N 3.17Å; I132-W136 VanDerWaalsContact CG2-CD1 3.49Å; I132-W136 PolarHBondContact O-N 2.89Å
133V94.1Very high90.7Very high77 Ų77114.5 Ų114.547%0.46757%0.573SS.*Hα-helixtrans-58.5-43.5-179.7172.90000111.4V129 G130 W136 L137V129-V133 HydrophobicContact CG1-CG2 4.32Å; V129-V133 VanDerWaalsContact O-CG2 3.31Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.06Å; G130-V133 PolarHBondContact O-N 3Å; V133-W136 PolarHBondContact O-N 3.21Å; V133-L137 HydrophobicContact CG1-CD1 4.03Å; V133-L137 HydrophobicContact CG1-CG 4.49Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.21Å
134W92.3Very high90.5Very high174 Ų174119.1 Ų119.166%0.65959%0.587SS**Hα-helixtrans-61.1-48.8175.7-178.69.5000111.5G130 I132 W136 L137 S138G130-W134 VanDerWaalsContact O-CB 3.32Å; G130-W134 WeakPolarHBondContact O-CB 3.45Å; G130-W134 PolarHBondContact O-N 3.09Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 2.71Å; W134-W136 VanDerWaalsContact C-N 3.27Å; W134-W136 PolarHBondContact O-N 2.97Å; W134-L137 PolarHBondContact O-N 2.97Å; W134-S138 PolarHBondContact O-N 3.08Å; W134-S138 PolarHBondContact O-OG 3.18Å
135F92.4Very high90.1Very high139 Ų139119.8 Ų119.861%0.6159%0.588SS**Hα-helixtrans-59.9-37.3178.4-172.9-96.9000112.6F131 I132 S138 K139F131-F135 VanDerWaalsContact O-CB 3.28Å; F131-F135 WeakPolarHBondContact O-CB 3.34Å; F131-F135 PolarHBondContact O-N 3.32Å; I132-F135 PolarHBondContact O-N 3.46Å; I132-F135 VanDerWaalsContact O-N 3.17Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-OG 3.37Å; F135-K139 PolarHBondContact O-N 3.27Å
136W89.6Confident89.7Confident167 Ų167122.1 Ų122.163%0.63359%0.594SS**Hα-helixtrans-67.2-38.7173.8-82.5100.2000112.7I132 V133 W134I132-W136 VanDerWaalsContact CG2-CD1 3.49Å; I132-W136 PolarHBondContact O-N 2.89Å; V133-W136 PolarHBondContact O-N 3.21Å; W134-W136 VanDerWaalsContact C-N 3.27Å; W134-W136 PolarHBondContact O-N 2.97Å
137L90.2Very high89.3Confident111 Ų111122.8 Ų122.858%0.58160%0.595SS**Hα-helixtrans-70.9-40.7176.9-71.9172.1000112.1V133 W134 K139 R140 Q141V133-L137 HydrophobicContact CG1-CD1 4.03Å; V133-L137 HydrophobicContact CG1-CG 4.49Å; V133-L137 WeakPolarHBondContact O-CG 3.29Å; V133-L137 PolarHBondContact O-N 3.21Å; W134-L137 PolarHBondContact O-N 2.97Å; L137-K139 PolarHBondContact O-N 3.33Å; L137-R140 PolarHBondContact O-N 3.41Å; L137-R140 VanDerWaalsContact O-N 3.11Å; L137-Q141 PolarHBondContact O-N 3.24Å
138S87.6Confident88.8Confident64 Ų64126 Ų12645%0.44860%0.604SS.*Hα-helixtrans-67.8-22.2179.5650000113.4W134 F135W134-S138 PolarHBondContact O-N 3.08Å; W134-S138 PolarHBondContact O-OG 3.18Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-OG 3.37Å
139K82.8Confident88.2Confident166 Ų166130.2 Ų130.272%0.72261%0.614SS**THydrogen-bonded Turntrans-86.2-11.4175.7-156.6179.8-179.5-178.40112.9F135 L137F135-K139 PolarHBondContact O-N 3.27Å; L137-K139 PolarHBondContact O-N 3.33Å
140R75.8Confident87.5Confident214 Ų214134.4 Ų134.481%0.80862%0.624SS**THydrogen-bonded Turntrans-95.4-15.9176.7-78.2-167.9-173.5-170.93.9113.6L137L137-R140 PolarHBondContact O-N 3.41Å; L137-R140 VanDerWaalsContact O-N 3.11Å
141Q60.2Low86.9Confident236 Ų236143.1 Ų143.1100%1.10365%0.645SS**  trans-88.70164.8-67.1-144.5-27.100110.1L137L137-Q141 PolarHBondContact O-N 3.24Å

Retrieved 141 of 141 residues in 278.9 ms (Link to these results)