A0A077ZL57_TRITR Loading...

Small heat shock protein

AlphaFold DB , UniProt , Accession A0A077ZL57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M41.6Very low40.5Very low232 Ų232154.3 Ų154.3100%1.14381%0.805SS**  095.60-69.6179.3-177.800106.2
2Q39.5Very low40.6Very low168 Ų168149.4 Ų149.479%0.78579%0.794SS**  70.7105.695.3-80.8-170.4-30.900111.6
3I39Very low40.4Very low131 Ų131149.7 Ų149.767%0.67279%0.794SS**  108103.391.5-78.2166.2000105.9
4L35.8Very low40.1Very low167 Ų167155.5 Ų155.587%0.87480%0.8SS**  64.2138.880.3-76.3178.2000115.9
5A46.4Very low39.8Very low85 Ų85151.9 Ų151.970%0.70279%0.794SS**  trans116.5110153.400000113
6N38.2Very low39.5Very low164 Ų164156.3 Ų156.388%0.87780%0.797SS**  58.9142.674.4-76.8-6.7000111.3
7C40.6Very low39Very low104 Ų104158.2 Ų158.270%0.70380%0.798SS**  cis-162.1159.2-0.3-155.30000102
8D42.5Very low38.8Very low127 Ų127163.1 Ų163.168%0.67981%0.806SS**  154.3178.772.3-142.5-49.7000107
9D41.5Very low38.8Very low133 Ų133165.3 Ų165.371%0.71180%0.804SS**  trans100.781.5162.7-77-39.9000120
10R40.3Very low38.6Very low214 Ų214168.2 Ų168.281%0.80881%0.806SS**  55.2148.9106.1-74.1-168.3171.8-122.50.6121.2
11L40.7Very low38.5Very low172 Ų172165 Ų16590%0.90180%0.802SS**  trans92.3119.9171.7-48.6174.9000111.7
12S41.2Very low38.2Very low96 Ų96160.2 Ų160.267%0.67178%0.78SS**  cis-170.5154.720.264.70000110.8
13L37.6Very low38.5Very low153 Ų153159.2 Ų159.280%0.80178%0.781SS**  trans73.4124.4145.3-68.9159.9000121.3
14R36Very low38.8Very low231 Ų231160.3 Ų160.387%0.87279%0.787SS**  trans8861.9155.6-62.4178.8-174.9-116.91.9118
15S36.7Very low39Very low102 Ų102163.9 Ų163.971%0.71379%0.789SS**  14.4117.2115.7-151.50000117.7
16R34Very low38.9Very low221 Ų221164.6 Ų164.683%0.83479%0.786SS**  8985.2124.8-160.7174.8-78.1-169.9-5.1118.1
17K32.3Very low39.5Very low190 Ų190165.3 Ų165.383%0.82679%0.788SS**  5782.6116.1-148.8158.6-169.8172.40115.3R19K17-R19 PolarHBondContact O-N 3.17Å; K17-R19 VanDerWaalsContact O-N 3.08Å
18R34.6Very low39.7Very low246 Ų246163.9 Ų163.993%0.92878%0.784SS**  trans-71.196.3159.6-64.7-144.1-154.3-166.310.7108.6W20R18-W20 PolarHBondContact O-N 3.34Å
19R38.8Very low39.7Very low205 Ų205169.9 Ų169.977%0.77480%0.797SS**  trans-78.2112.1172.1-165.6165.170.6-155.33.9106.9K17K17-R19 PolarHBondContact O-N 3.17Å; K17-R19 VanDerWaalsContact O-N 3.08Å
20W34.1Very low39.4Very low223 Ų223174.9 Ų174.985%0.84581%0.806SS**  trans-55.5150.9161.9-70.7-9.5000109.7R18R18-W20 PolarHBondContact O-N 3.34Å
21S36.3Very low39.5Very low102 Ų102172.8 Ų172.871%0.71381%0.809SS**  trans90.3136.2-168.7-55.80000113.3
22D35.3Very low39.4Very low130 Ų130173.2 Ų173.270%0.69581%0.806SS**  trans8670175.1-41.4-33.2000114.4
23D47Very low39.2Very low148 Ų148175.3 Ų175.379%0.79181%0.81SS**  trans-159.787.2139.2-90.3-36.5000111.7
24L44.7Very low39.6Very low153 Ų153176.2 Ų176.280%0.80181%0.814SS**  5575.9125.3-54.8173.2000117.9
25W40Very low39.7Very low243 Ų243172.5 Ų172.592%0.9281%0.811SS**  trans-71136.2131.7-82.562.2000107
26P44.5Very low40.2Very low100 Ų100178.9 Ų178.965%0.64982%0.819SS**  cis-135.2135.121.734-13.5000114.8A28P26-A28 PolarHBondContact O-N 3.41Å
27I50Low40.6Very low179 Ų179172.7 Ų172.792%0.91882%0.816SS**  trans-67.990.5150.5-64.3174.3000105.9
28A46.4Very low41.4Very low73 Ų73168.5 Ų168.560%0.60381%0.81SS**  trans-60.5136.1171.300000109.3P26 R30P26-A28 PolarHBondContact O-N 3.41Å; A28-R30 PolarHBondContact O-N 2.94Å
29R42Very low42.2Very low254 Ų254166 Ų16696%0.95881%0.806SS**  trans-36.8123.6163.5-65.2170.9175.2158.7-2.8110.4
30R35.9Very low42.6Very low238 Ų238161.3 Ų161.390%0.89881%0.805SS**  trans-12778.7167-173.8178.3-172.6146.32.7109.6A28A28-R30 PolarHBondContact O-N 2.94Å
31I41.3Very low43.1Very low169 Ų169156.6 Ų156.687%0.86780%0.803SS**  trans-151.180.5153.7-49.5177.9000107.6
32E38.9Very low43.9Very low182 Ų182157.5 Ų157.585%0.8581%0.807SS**  trans-136.9126.5157.3-71.6-172.8-178.900108.2
33N36.7Very low44.5Very low139 Ų139157.7 Ų157.774%0.74381%0.813SS**  trans77.285.2163.4-56.6-12.5000119.3
34I45.7Very low44.5Very low173 Ų173156.4 Ų156.489%0.88782%0.815SS**  trans-90.684.5149.3-60.5173.9000107
35D38.6Very low45Very low152 Ų152153.6 Ų153.681%0.81381%0.814SS**  trans-119.482.8162.6-91.9-37.1000108
36R47.6Very low45.6Very low236 Ų236150.8 Ų150.889%0.89181%0.812SS**  trans-15779.9154.4-155.2172.1175.4106.9-2.4109.5S38R36-S38 PolarHBondContact O-N 3.01Å
37A41.5Very low45.6Very low92 Ų92152.5 Ų152.576%0.7682%0.822SS**  trans-52.3128.6159.100000108.9
38S49.2Very low45.2Very low101 Ų101147 Ų14771%0.70681%0.811SS**  trans175.4126.8138.5-70.40000111R36R36-S38 PolarHBondContact O-N 3.01Å
39F51.3Low45.3Very low193 Ų193147.6 Ų147.685%0.84682%0.815SS**SBendtrans90.2107.2157.7-59.6-69.9000121.2
40S47.2Very low45.3Very low108 Ų108141.6 Ų141.676%0.75581%0.807SS**  trans85.1120.9144.514.60000119.9
41P46.2Very low45.9Very low123 Ų123139.4 Ų139.480%0.79981%0.807SS**PPolyproline II helixtrans-91.9146.5178.236.6-30.6000111.6
42P52.5Low45.8Very low122 Ų122136 Ų13679%0.79280%0.798SS**PPolyproline II helixtrans-101.2137.815527.3-14.1000111.3
43T47.7Very low46.2Very low134 Ų134131.6 Ų131.682%0.82279%0.792SS**PPolyproline II helixtrans-46.3139.9173.636.90000117
44S47.5Very low46.8Very low120 Ų120127.6 Ų127.684%0.83978%0.775SS**  trans32.6101.7145-54.50000119.8
45A55.2Low47.2Very low95 Ų95122.8 Ų122.879%0.78575%0.754SS**  175.4124.1128.800000111.3
46E51Low48.3Very low184 Ų184117.6 Ų117.686%0.8674%0.737SS**  trans57.6123.5155.8-58.3-156.997.900121.7G48E46-G48 VanDerWaalsContact C-N 3.32Å; E46-G48 PolarHBondContact O-N 2.83Å
47P44.8Very low49.6Very low135 Ų135111.1 Ų111.188%0.87772%0.723SS**  trans-79.682.6163.933.4-28.8000109.4A49P47-A49 PolarHBondContact O-N 3.39Å
48G41.7Very low51.9Low65 Ų65108.4 Ų108.467%0.6770%0.699SS**  trans-67.1110.1160.200000108.5E46 T50E46-G48 VanDerWaalsContact C-N 3.32Å; E46-G48 PolarHBondContact O-N 2.83Å; G48-T50 PolarHBondContact O-N 3.03Å
49A49.7Very low54Low84 Ų84106.4 Ų106.469%0.69469%0.685SS**  trans-50.5114.7175.900000109.8P47 H51P47-A49 PolarHBondContact O-N 3.39Å; A49-H51 PolarHBondContact O-N 3.28Å
50T41.8Very low56.2Low129 Ų129100.8 Ų100.879%0.79167%0.666SS**  trans-63.6107.7172.242.10000107.7G48 S52G48-T50 PolarHBondContact O-N 3.03Å; T50-S52 PolarHBondContact O-N 2.92Å
51H47.2Very low58.5Low192 Ų19298.4 Ų98.489%0.88964%0.644SS**  trans-6775.5161.4-75.4-90.5000107.7A49 A53A49-H51 PolarHBondContact O-N 3.28Å; H51-A53 PolarHBondContact O-N 3.34Å
52S40.9Very low60.8Low97 Ų9796.6 Ų96.668%0.67863%0.628SS**  trans-72.389.4-178-171.90000108.9T50 S54T50-S52 PolarHBondContact O-N 2.92Å; S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 PolarHBondContact O-N 3.24Å
53A47.2Very low62.7Low89 Ų8995 Ų9574%0.73661%0.612SS**  trans30.949.7143.500000117.5H51 T55H51-A53 PolarHBondContact O-N 3.34Å; A53-T55 PolarHBondContact O-N 2.61Å
54S49.3Very low64.7Low56 Ų5695.9 Ų95.939%0.39261%0.612SS.*  trans-77.3-0.8178.768.90000113.2S52 G56 V57S52-S54 VanDerWaalsContact C-N 3.29Å; S52-S54 PolarHBondContact O-N 3.24Å; S54-G56 VanDerWaalsContact C-N 3.31Å; S54-G56 PolarHBondContact O-N 3.31Å; S54-V57 PolarHBondContact O-N 2.99Å
55T52.5Low66.8Low72 Ų7298.6 Ų98.644%0.44261%0.609SS.*THydrogen-bonded Turntrans-64.782.8179.7-23.90000111.1A53 H75 F76A53-T55 PolarHBondContact O-N 2.61Å; T55-H75 HydrophobicContact CG2-CB 4.45Å; T55-H75 PolarHBondContact OG1-CD2 2.83Å; T55-F76 HydrophobicContact CG2-CE2 4.34Å
56G61.5Low68.6Low43 Ų4397.4 Ų97.444%0.44359%0.586SS.*THydrogen-bonded Turntrans158.9-9.1179.400000115.5S54 S58 R112S54-G56 VanDerWaalsContact C-N 3.31Å; S54-G56 PolarHBondContact O-N 3.31Å; G56-S58 PolarHBondContact O-N 2.84Å; G56-R112 PolarHBondContact O-NH1 2.62Å
57V76.2Confident70.8Confident99 Ų9988.8 Ų88.860%0.655%0.546SS*.  trans-64.6121.6178.4-175.50000109.7S54 D72S54-V57 PolarHBondContact O-N 2.99Å; V57-D72 PolarHBondContact O-N 2.88Å
58S89Confident73.3Confident36 Ų3683.7 Ų83.725%0.25251%0.51SS..EExtended strand (participates in β ladder)trans-128.2143.8167.271.80000110.5G56 T70 L71 R112 Y114G56-S58 PolarHBondContact O-N 2.84Å; S58-T70 CarbonylContact C-O 3.56Å; S58-T70 WeakPolarHBondContact CA-O 3.1Å; S58-T70 WeakPolarHBondContact CB-O 3.06Å; S58-L71 VanDerWaalsContact CB-CD2 3.43Å; S58-R112 VanDerWaalsContact CB-CZ 3.46Å; S58-R112 PolarHBondContact OG-NH2 2.66Å; S58-Y114 WeakPolarHBondContact CB-OH 3.26Å; S58-Y114 PolarHBondContact OG-OH 2.95Å
59S94.5Very high76Confident59 Ų5980.6 Ų80.641%0.41348%0.478SS..EExtended strand (participates in β ladder)trans-114148.1166.467.90000110.4V69 T70S59-V69 WeakPolarHBondContact O-CA 3.41Å; S59-T70 PolarHBondContact N-O 3.04Å; S59-T70 PolarHBondContact O-N 3.44Å; S59-T70 VanDerWaalsContact OG-CB 3.3Å; S59-T70 WeakPolarHBondContact OG-CB 3.29Å; S59-T70 PolarHBondContact OG-OG1 3.12Å
60V96.4Very high78.2Confident74 Ų7477.6 Ų77.645%0.44845%0.451SS..EExtended strand (participates in β ladder)trans-129.9128.8176.2-176.20000108.1F67 Q68 V69 Y114V60-F67 HydrophobicContact CG1-CD2 4.46Å; V60-F67 HydrophobicContact CG1-CE2 3.74Å; V60-F67 HydrophobicContact CG1-CZ 4.34Å; V60-Q68 CarbonylContact C-O 3.56Å; V60-Q68 WeakPolarHBondContact CA-O 3.3Å; V60-V69 HydrophobicContact CG2-CG2 4.35Å; V60-Y114 HydrophobicContact CG2-CD1 3.87Å; V60-Y114 HydrophobicContact CG2-CE1 3.5Å
61I96.1Very high80.7Confident58 Ų5871.7 Ų71.730%0.29742%0.415SS..EExtended strand (participates in β ladder)trans-114.8130.5173.2-60.1170.8000107.1D63 F67 Q68I61-D63 VanDerWaalsContact CG2-OD2 3.26Å; I61-D63 WeakPolarHBondContact CG2-OD2 3.3Å; I61-F67 CarbonylContact O-C 3.54Å; I61-F67 WeakPolarHBondContact O-CA 3.45Å; I61-Q68 HydrophobicContact CB-CB 4.24Å; I61-Q68 PolarHBondContact N-O 2.66Å; I61-Q68 PolarHBondContact O-N 2.71Å
62N94.7Very high82.9Confident86 Ų8664.1 Ų64.146%0.4638%0.381SS..EExtended strand (participates in β ladder)trans-141.472.8-175.6-177.830.5000110.3F67 P117 K141N62-F67 HydrophobicContact CB-CD2 4.33Å; N62-P117 WeakPolarHBondContact OD1-CG 3.37Å; N62-K141 WeakPolarHBondContact OD1-CE 3.36Å; N62-K141 PolarHBondContact OD1-NZ 3.35Å
63D91.4Very high85.3Confident88 Ų8859.7 Ų59.747%0.47135%0.35SS..  trans-96172.7-178-55-31.5000110.4I61 K65 K66 K141I61-D63 VanDerWaalsContact CG2-OD2 3.26Å; I61-D63 WeakPolarHBondContact CG2-OD2 3.3Å; D63-K65 PolarHBondContact O-N 3.37Å; D63-K66 PolarHBondContact N-O 2.84Å; D63-K66 PolarHBondContact O-N 2.7Å; D63-K66 VanDerWaalsContact O-O 3.11Å; D63-K141 VanDerWaalsContact O-CD 3.28Å; D63-K141 WeakPolarHBondContact O-CD 3.4Å; D63-K141 WeakPolarHBondContact O-CE 2.91Å; D63-K141 PolarHBondContact O-NZ 2.86Å
64D89.8Confident87.3Confident152 Ų15259.2 Ų59.281%0.81334%0.337SS*.SBendtrans-58.5-22.5-179.9-63.1-29.6000114.2
65K91.5Very high89Confident178 Ų17860.2 Ų60.277%0.77434%0.336SS*.SBendtrans-98.5-32.3-175.3-60.6-179.2-177.2177.80113.7D63 K141D63-K65 PolarHBondContact O-N 3.37Å; K65-K141 PolarHBondContact O-N 3.01Å
66K94.1Very high90.5Very high69 Ų6958 Ų5830%0.332%0.32SS..EExtended strand (participates in β ladder)trans-150.3155.7-169.967.6171.1-177.7167.60113.2D63 A139D63-K66 PolarHBondContact N-O 2.84Å; D63-K66 PolarHBondContact O-N 2.7Å; D63-K66 VanDerWaalsContact O-O 3.11Å; K66-A139 CarbonylContact C-O 3.44Å; K66-A139 VanDerWaalsContact CA-O 3.3Å; K66-A139 WeakPolarHBondContact CA-O 3.02Å
67F96.6Very high91.2Very high4 Ų461 Ų612%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-115132164.7175.3-104.1000108.1V60 I61 N62 V69 L90 L116 P117 I120 E138 A139V60-F67 HydrophobicContact CG1-CD2 4.46Å; V60-F67 HydrophobicContact CG1-CE2 3.74Å; V60-F67 HydrophobicContact CG1-CZ 4.34Å; I61-F67 CarbonylContact O-C 3.54Å; I61-F67 WeakPolarHBondContact O-CA 3.45Å; N62-F67 HydrophobicContact CB-CD2 4.33Å; F67-V69 HydrophobicContact CE1-CG2 3.69Å; F67-V69 HydrophobicContact CE2-CG2 4.42Å; F67-V69 HydrophobicContact CZ-CG2 3.55Å; F67-L90 HydrophobicContact CE1-CD2 4.08Å; F67-L116 HydrophobicContact CD1-CD2 3.98Å; F67-L116 HydrophobicContact CE1-CD2 3.64Å; F67-L116 HydrophobicContact CZ-CD2 4.27Å; F67-P117 HydrophobicContact CB-CG 4.37Å; F67-P117 HydrophobicContact CD2-CG 3.54Å; F67-P117 HydrophobicContact CE2-CG 4.08Å; F67-P117 HydrophobicContact CG-CG 4.14Å; F67-I120 HydrophobicContact CB-CD1 3.64Å; F67-I120 HydrophobicContact CB-CG1 4.33Å; F67-I120 HydrophobicContact CD1-CD1 3.98Å; F67-I120 HydrophobicContact CG-CD1 3.81Å; F67-E138 CarbonylContact O-C 3.53Å; F67-E138 VanDerWaalsContact O-CA 3.22Å; F67-E138 WeakPolarHBondContact O-CA 2.94Å; F67-A139 PolarHBondContact N-O 2.76Å; F67-A139 PolarHBondContact O-N 3.49Å
68Q97.7Very high90.9Very high28 Ų2864 Ų6413%0.13132%0.321CS..EExtended strand (participates in β ladder)trans-142.5135.8179.8174.5-175-27.900110.4V60 I61 T136 I137 E138V60-Q68 CarbonylContact C-O 3.56Å; V60-Q68 WeakPolarHBondContact CA-O 3.3Å; I61-Q68 HydrophobicContact CB-CB 4.24Å; I61-Q68 PolarHBondContact N-O 2.66Å; I61-Q68 PolarHBondContact O-N 2.71Å; Q68-T136 HydrophobicContact CG-CG2 3.8Å; Q68-I137 CarbonylContact C-O 3.58Å; Q68-I137 VanDerWaalsContact CA-O 3.28Å; Q68-I137 WeakPolarHBondContact CA-O 3.35Å; Q68-E138 HydrophobicContact CB-CB 3.9Å; Q68-E138 HydrophobicContact CG-CB 4.02Å
69V97.3Very high89.8Confident0 Ų071.3 Ų71.30%035%0.352CS..EExtended strand (participates in β ladder)trans-118.3134.6172.6176.30000108.1S59 V60 F67 L71 L90 I92 Y114 T136 I137S59-V69 WeakPolarHBondContact O-CA 3.41Å; V60-V69 HydrophobicContact CG2-CG2 4.35Å; F67-V69 HydrophobicContact CE1-CG2 3.69Å; F67-V69 HydrophobicContact CE2-CG2 4.42Å; F67-V69 HydrophobicContact CZ-CG2 3.55Å; V69-L71 HydrophobicContact CG1-CD2 4.31Å; V69-L71 HydrophobicContact CG1-CG 4.12Å; V69-L90 HydrophobicContact CG2-CD2 4.13Å; V69-I92 HydrophobicContact CG1-CD1 4.41Å; V69-Y114 HydrophobicContact CG1-CD2 4.06Å; V69-Y114 HydrophobicContact CG1-CE1 4.11Å; V69-Y114 HydrophobicContact CG1-CE2 3.51Å; V69-Y114 HydrophobicContact CG2-CD1 4.14Å; V69-Y114 HydrophobicContact CG2-CD2 4.15Å; V69-Y114 HydrophobicContact CG2-CE1 4.38Å; V69-Y114 HydrophobicContact CG2-CE2 4.39Å; V69-Y114 HydrophobicContact CG2-CG 4.01Å; V69-T136 CarbonylContact O-C 3.51Å; V69-T136 WeakPolarHBondContact O-CA 3.05Å; V69-I137 PolarHBondContact N-O 2.8Å; V69-I137 PolarHBondContact O-N 2.82Å
70T96.4Very high89.2Confident21 Ų2172 Ų7213%0.12935%0.347CS..EExtended strand (participates in β ladder)trans-121.8132.9171.2-42.80000109.1S58 S59 L134 L135S58-T70 CarbonylContact C-O 3.56Å; S58-T70 WeakPolarHBondContact CA-O 3.1Å; S58-T70 WeakPolarHBondContact CB-O 3.06Å; S59-T70 PolarHBondContact N-O 3.04Å; S59-T70 PolarHBondContact O-N 3.44Å; S59-T70 VanDerWaalsContact OG-CB 3.3Å; S59-T70 WeakPolarHBondContact OG-CB 3.29Å; S59-T70 PolarHBondContact OG-OG1 3.12Å; T70-L134 HydrophobicContact CG2-CB 4.12Å; T70-L135 CarbonylContact C-O 3.51Å; T70-L135 WeakPolarHBondContact CA-O 3.28Å
71L94.3Very high88.9Confident5 Ų570.7 Ų70.73%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-126.8131.5-178.8-65.5178.4000110.8S58 V69 V73 I92 F110 Y114 L134 L135S58-L71 VanDerWaalsContact CB-CD2 3.43Å; V69-L71 HydrophobicContact CG1-CD2 4.31Å; V69-L71 HydrophobicContact CG1-CG 4.12Å; L71-V73 HydrophobicContact CB-CG1 4.14Å; L71-V73 PolarHBondContact O-N 3.24Å; L71-I92 HydrophobicContact CD1-CB 4.33Å; L71-I92 HydrophobicContact CD1-CD1 3.49Å; L71-I92 VanDerWaalsContact CD1-CD1 3.49Å; L71-I92 HydrophobicContact CD1-CG1 4.5Å; L71-I92 HydrophobicContact CD1-CG2 3.98Å; L71-I92 HydrophobicContact CG-CD1 4.49Å; L71-F110 HydrophobicContact CD1-CE2 4.44Å; L71-Y114 HydrophobicContact CD2-CE2 4.43Å; L71-Y114 VanDerWaalsContact CD2-OH 3.25Å; L71-Y114 WeakPolarHBondContact CD2-OH 3.04Å; L71-L134 CarbonylContact O-C 3.53Å; L71-L134 WeakPolarHBondContact O-CA 3.37Å; L71-L135 HydrophobicContact CB-CB 4.36Å; L71-L135 PolarHBondContact N-O 2.88Å; L71-L135 PolarHBondContact O-N 2.87Å
72D92.6Very high88.8Confident32 Ų3273.1 Ų73.117%0.17135%0.346CS..EExtended strand (participates in β ladder)trans-75.1116164.2-176.2-0.2000110V57 T74 L134V57-D72 PolarHBondContact O-N 2.88Å; D72-T74 VanDerWaalsContact OD1-CB 3.26Å; D72-T74 WeakPolarHBondContact OD1-CB 3.4Å; D72-T74 PolarHBondContact OD1-N 3.4Å; D72-T74 PolarHBondContact OD1-OG1 3.03Å; D72-L134 HydrophobicContact CB-CD2 4.03Å
73V91.5Very high88.8Confident5 Ų572 Ų723%0.0334%0.339CS..  trans-123.424.5178.2-61.20000111.7L71 H75 F76 F81 F110 L129 G133 L135L71-V73 HydrophobicContact CB-CG1 4.14Å; L71-V73 PolarHBondContact O-N 3.24Å; V73-H75 PolarHBondContact O-N 2.66Å; V73-H75 VanDerWaalsContact O-N 3.1Å; V73-F76 HydrophobicContact CB-CB 4.4Å; V73-F76 HydrophobicContact CB-CD2 4.15Å; V73-F76 WeakPolarHBondContact O-CB 3.41Å; V73-F76 PolarHBondContact O-N 2.91Å; V73-F81 HydrophobicContact CB-CE1 3.84Å; V73-F81 HydrophobicContact CB-CZ 3.67Å; V73-F81 HydrophobicContact CG1-CE1 3.87Å; V73-F81 HydrophobicContact CG1-CZ 4.16Å; V73-F81 HydrophobicContact CG2-CE1 4.19Å; V73-F81 HydrophobicContact CG2-CE2 4.23Å; V73-F81 HydrophobicContact CG2-CZ 3.62Å; V73-F110 HydrophobicContact CG1-CE1 4.27Å; V73-F110 HydrophobicContact CG1-CZ 4Å; V73-L129 HydrophobicContact CG2-CD1 3.61Å; V73-G133 CarbonylContact C-O 3.5Å; V73-G133 WeakPolarHBondContact CG2-O 3.35Å; V73-G133 PolarHBondContact N-O 3.04Å; V73-L135 HydrophobicContact CG1-CB 4.24Å; V73-L135 HydrophobicContact CG2-CB 3.89Å
74T89.3Confident89Confident78 Ų7870 Ų7048%0.47933%0.33SS..THydrogen-bonded Turntrans-55.2-32.1-176.3-57.10000113.5D72 F76 N132 G133D72-T74 VanDerWaalsContact OD1-CB 3.26Å; D72-T74 WeakPolarHBondContact OD1-CB 3.4Å; D72-T74 PolarHBondContact OD1-N 3.4Å; D72-T74 PolarHBondContact OD1-OG1 3.03Å; T74-F76 VanDerWaalsContact C-N 3.28Å; T74-F76 PolarHBondContact O-N 2.72Å; T74-N132 PolarHBondContact OG1-O 3.43Å; T74-G133 PolarHBondContact N-O 2.85Å
75H85.1Confident89.3Confident78 Ų7866.1 Ų66.136%0.36131%0.312SS..THydrogen-bonded Turntrans-85.66179.1-59.5-60.7000114.4T55 V73T55-H75 HydrophobicContact CG2-CB 4.45Å; T55-H75 PolarHBondContact OG1-CD2 2.83Å; V73-H75 PolarHBondContact O-N 2.66Å; V73-H75 VanDerWaalsContact O-N 3.1Å
76F84.9Confident89.4Confident26 Ų2664.2 Ų64.211%0.11430%0.304CS..SBendtrans-113.4146.1178.3-63-90.1000110.3T55 V73 T74 F81 H96 R108 F110T55-F76 HydrophobicContact CG2-CE2 4.34Å; V73-F76 HydrophobicContact CB-CB 4.4Å; V73-F76 HydrophobicContact CB-CD2 4.15Å; V73-F76 WeakPolarHBondContact O-CB 3.41Å; V73-F76 PolarHBondContact O-N 2.91Å; T74-F76 VanDerWaalsContact C-N 3.28Å; T74-F76 PolarHBondContact O-N 2.72Å; F76-F81 HydrophobicContact CB-CE1 3.74Å; F76-F81 HydrophobicContact CB-CZ 3.62Å; F76-F81 HydrophobicContact CG-CE1 4.2Å; F76-H96 HydrophobicContact CD1-CB 3.95Å; F76-H96 HydrophobicContact CE1-CB 4.32Å; F76-R108 HydrophobicContact CE1-CB 3.73Å; F76-R108 HydrophobicContact CZ-CB 4.1Å; F76-F110 HydrophobicContact CD1-CD1 4.11Å; F76-F110 HydrophobicContact CD1-CE1 4.08Å; F76-F110 HydrophobicContact CD2-CD1 4.33Å; F76-F110 HydrophobicContact CD2-CE1 4.04Å; F76-F110 AromaticContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CE1 4Å; F76-F110 AromaticContact CE2-CD1 3.79Å; F76-F110 HydrophobicContact CE2-CD1 3.79Å; F76-F110 AromaticContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CG-CD1 4.48Å; F76-F110 HydrophobicContact CG-CE1 4.13Å; F76-F110 AromaticContact CZ-CD1 3.39Å; F76-F110 HydrophobicContact CZ-CD1 3.39Å; F76-F110 AromaticContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CG 4.39Å
77K76.2Confident89.3Confident104 Ų10466 Ų6645%0.45232%0.317SS..  trans-72.9140.7174.1-72.6-178.3175.8175.10108.7E79 K80 N99K77-E79 PolarHBondContact O-N 2.79Å; K77-K80 PolarHBondContact O-N 3.34Å; K77-N99 VanDerWaalsContact NZ-CG 3.35Å; K77-N99 PolarHBondContact NZ-ND2 3.15Å; K77-N99 PolarHBondContact NZ-OD1 2.94Å
78R70.5Confident89.1Confident162 Ų16271.8 Ų71.861%0.61135%0.348SS*.THydrogen-bonded Turntrans-58.4-23.6-169.3-63-169.6178.1160.1-0.2115.1F81 L129 P131R78-F81 WeakPolarHBondContact O-CD2 3.34Å; R78-F81 WeakPolarHBondContact O-CE2 3.24Å; R78-L129 HydrophobicContact CB-CD2 3.62Å; R78-L129 HydrophobicContact CG-CD2 3.69Å; R78-P131 PolarHBondContact NH2-O 2.83Å
79E65.3Low89Confident191 Ų19175.7 Ų75.789%0.89336%0.361SS*.THydrogen-bonded Turntrans-99.614.1-169.6-64.1177.8173.100114.6K77K77-E79 PolarHBondContact O-N 2.79Å
80K81.8Confident89Confident72 Ų7275.7 Ų75.731%0.31336%0.361SS..  trans-126.847.6-171.3-58.1-168.5175.8-170.70114.1K77 G94 K95 E97K77-K80 PolarHBondContact O-N 3.34Å; K80-G94 WeakPolarHBondContact O-CA 3.44Å; K80-K95 WeakPolarHBondContact CB-O 3.23Å; K80-K95 WeakPolarHBondContact CD-O 3.32Å; K80-K95 PolarHBondContact O-N 3.5Å; K80-E97 VanDerWaalsContact NZ-CG 3.25Å
81F89.9Confident89Confident48 Ų4877.6 Ų77.621%0.21137%0.369CS..EExtended strand (participates in β ladder)trans-121.6139.8174.9-49.7-74.9000111.5V73 F76 R78 E93 F110 L129V73-F81 HydrophobicContact CB-CE1 3.84Å; V73-F81 HydrophobicContact CB-CZ 3.67Å; V73-F81 HydrophobicContact CG1-CE1 3.87Å; V73-F81 HydrophobicContact CG1-CZ 4.16Å; V73-F81 HydrophobicContact CG2-CE1 4.19Å; V73-F81 HydrophobicContact CG2-CE2 4.23Å; V73-F81 HydrophobicContact CG2-CZ 3.62Å; F76-F81 HydrophobicContact CB-CE1 3.74Å; F76-F81 HydrophobicContact CB-CZ 3.62Å; F76-F81 HydrophobicContact CG-CE1 4.2Å; R78-F81 WeakPolarHBondContact O-CD2 3.34Å; R78-F81 WeakPolarHBondContact O-CE2 3.24Å; F81-E93 CarbonylContact C-O 3.53Å; F81-E93 VanDerWaalsContact CA-O 3.24Å; F81-E93 WeakPolarHBondContact CA-O 3.37Å; F81-F110 HydrophobicContact CD1-CE1 4.1Å; F81-F110 AromaticContact CD1-CZ 3.93Å; F81-F110 HydrophobicContact CD1-CZ 3.93Å; F81-F110 AromaticContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CZ 4Å; F81-L129 HydrophobicContact CE2-CD2 4.01Å
82E93.8Very high89Confident109 Ų10977.3 Ų77.351%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-120.2128.6171.8-177.1173.4176.500108.6T84 I92 E93E82-T84 HydrophobicContact CG-CG2 4.15Å; E82-I92 WeakPolarHBondContact O-CA 3.33Å; E82-E93 HydrophobicContact CB-CB 4.35Å; E82-E93 PolarHBondContact N-O 2.88Å; E82-E93 PolarHBondContact O-N 2.84Å
83I95.2Very high89.1Confident61 Ų6177.8 Ų77.831%0.31337%0.369SS..EExtended strand (participates in β ladder)trans-122.1121.9-177.6-58.1164.4000107.4L90 M91 I92 I137I83-L90 HydrophobicContact CG2-CD1 3.59Å; I83-M91 WeakPolarHBondContact CA-O 3.22Å; I83-I92 HydrophobicContact CG1-CG2 4.34Å; I83-I92 HydrophobicContact CG2-CG1 4.49Å; I83-I137 HydrophobicContact CD1-CD1 3.69Å; I83-I137 HydrophobicContact CD1-CG1 3.9Å; I83-I137 HydrophobicContact CG1-CD1 4.03Å; I83-I137 HydrophobicContact CG2-CD1 4.05Å
84T95.8Very high89.2Confident47 Ų4777.6 Ų77.629%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-133150.2-178.156.10000111E82 M91E82-T84 HydrophobicContact CG-CG2 4.15Å; T84-M91 PolarHBondContact N-O 2.8Å; T84-M91 PolarHBondContact O-N 3Å; T84-M91 WeakPolarHBondContact OG1-CE 3.28Å
85T95.2Very high89.2Confident70 Ų7078 Ų7843%0.42936%0.363SS..EExtended strand (participates in β ladder)trans-119.8124172.955.10000109.7R89 L90 L116 F125T85-R89 CarbonylContact C-O 3.52Å; T85-R89 WeakPolarHBondContact CA-O 3.46Å; T85-L90 HydrophobicContact CG2-CD1 3.91Å; T85-L116 HydrophobicContact CG2-CD1 4.28Å; T85-F125 HydrophobicContact CG2-CD2 4.19Å; T85-F125 HydrophobicContact CG2-CE1 4.39Å; T85-F125 HydrophobicContact CG2-CE2 3.85Å; T85-F125 HydrophobicContact CG2-CZ 3.97Å
86K93Very high89.3Confident138 Ų13875.1 Ų75.160%0.635%0.35SS*.EExtended strand (participates in β ladder)trans-154.6142.2-179.2-168.7-176174.1-179.70110.6D88 R89K86-D88 PolarHBondContact O-N 2.89Å; K86-R89 PolarHBondContact N-O 2.82Å; K86-R89 WeakPolarHBondContact O-CA 3.3Å; K86-R89 WeakPolarHBondContact O-CB 3.42Å; K86-R89 PolarHBondContact O-N 3.41Å
87D92.4Very high89.4Confident108 Ų10878.4 Ų78.458%0.57837%0.366SS*.THydrogen-bonded Turntrans49.849.7172.5-53.8-34.9000113.6R89D87-R89 PolarHBondContact O-N 3.01Å
88D93Very high90Very high125 Ų12579.4 Ų79.467%0.66837%0.372SS*.THydrogen-bonded Turntrans58.830-175.8-58.9-38000114.5K86 L116K86-D88 PolarHBondContact O-N 2.89Å; D88-L116 WeakPolarHBondContact O-CB 3.22Å; D88-L116 PolarHBondContact O-N 3.19Å
89R96.1Very high90.7Very high109 Ų10973.7 Ų73.741%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-130.2145.4178-57.3173.8-153.6-170.74.3111.8T85 K86 D87 T113 Y114 W115T85-R89 CarbonylContact C-O 3.52Å; T85-R89 WeakPolarHBondContact CA-O 3.46Å; K86-R89 PolarHBondContact N-O 2.82Å; K86-R89 WeakPolarHBondContact O-CA 3.3Å; K86-R89 WeakPolarHBondContact O-CB 3.42Å; K86-R89 PolarHBondContact O-N 3.41Å; D87-R89 PolarHBondContact O-N 3.01Å; R89-T113 HydrophobicContact CB-CG2 3.76Å; R89-T113 HydrophobicContact CG-CG2 4.09Å; R89-Y114 CarbonylContact C-O 3.54Å; R89-Y114 VanDerWaalsContact CA-O 3.22Å; R89-Y114 WeakPolarHBondContact CA-O 3.33Å; R89-W115 HydrophobicContact CG-CD2 4.27Å; R89-W115 HydrophobicContact CG-CE3 3.64Å; R89-W115 HydrophobicContact CG-CH2 4.4Å; R89-W115 HydrophobicContact CG-CZ3 3.71Å; R89-W115 VanDerWaalsContact CZ-CH2 3.44Å; R89-W115 VanDerWaalsContact NE-CZ3 3.28Å; R89-W115 VanDerWaalsContact NH2-CH2 3.31Å
90L96.7Very high91.9Very high0 Ų072.4 Ų72.40%035%0.345CS..EExtended strand (participates in β ladder)trans-98.7119.7162.8172.167.8000107.8F67 V69 I83 T85 I92 T113 Y114 L116 F125 I137F67-L90 HydrophobicContact CE1-CD2 4.08Å; V69-L90 HydrophobicContact CG2-CD2 4.13Å; I83-L90 HydrophobicContact CG2-CD1 3.59Å; T85-L90 HydrophobicContact CG2-CD1 3.91Å; L90-I92 HydrophobicContact CD2-CD1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.39Å; L90-I92 HydrophobicContact CG-CG1 4.26Å; L90-T113 CarbonylContact O-C 3.59Å; L90-T113 VanDerWaalsContact O-CA 3.32Å; L90-T113 WeakPolarHBondContact O-CA 3.34Å; L90-Y114 PolarHBondContact N-O 2.82Å; L90-Y114 PolarHBondContact O-N 3.43Å; L90-L116 HydrophobicContact CB-CD2 3.79Å; L90-L116 HydrophobicContact CB-CG 4.26Å; L90-F125 HydrophobicContact CD1-CE1 4.38Å; L90-I137 HydrophobicContact CD1-CG2 4.25Å; L90-I137 HydrophobicContact CD2-CB 4.38Å; L90-I137 HydrophobicContact CD2-CD1 4.45Å; L90-I137 HydrophobicContact CD2-CG2 3.85Å
91M96.7Very high92Very high61 Ų6172 Ų7230%0.335%0.346SS..EExtended strand (participates in β ladder)trans-113132.5177.6-173.9172.27600109.7I83 T84 E93 T111I83-M91 WeakPolarHBondContact CA-O 3.22Å; T84-M91 PolarHBondContact N-O 2.8Å; T84-M91 PolarHBondContact O-N 3Å; T84-M91 WeakPolarHBondContact OG1-CE 3.28Å; M91-E93 HydrophobicContact CE-CG 4.43Å; M91-E93 VanDerWaalsContact CE-OE1 3.24Å; M91-E93 WeakPolarHBondContact CE-OE1 3.27Å; M91-E93 HydrophobicContact CG-CG 4.43Å; M91-T111 HydrophobicContact CG-CG2 3.92Å; M91-T111 HydrophobicContact SD-CG2 4.1Å
92I95.2Very high92Very high0 Ų077.3 Ų77.30%038%0.377CS..EExtended strand (participates in β ladder)trans-126.1115.9-177.7-54.7160.6000106.8V69 L71 E82 I83 L90 F110 T111 R112 Y114 L135 I137V69-I92 HydrophobicContact CG1-CD1 4.41Å; L71-I92 HydrophobicContact CD1-CB 4.33Å; L71-I92 HydrophobicContact CD1-CD1 3.49Å; L71-I92 VanDerWaalsContact CD1-CD1 3.49Å; L71-I92 HydrophobicContact CD1-CG1 4.5Å; L71-I92 HydrophobicContact CD1-CG2 3.98Å; L71-I92 HydrophobicContact CG-CD1 4.49Å; E82-I92 WeakPolarHBondContact O-CA 3.33Å; I83-I92 HydrophobicContact CG1-CG2 4.34Å; I83-I92 HydrophobicContact CG2-CG1 4.49Å; L90-I92 HydrophobicContact CD2-CD1 4.29Å; L90-I92 HydrophobicContact CG-CD1 4.39Å; L90-I92 HydrophobicContact CG-CG1 4.26Å; I92-F110 HydrophobicContact CB-CE2 4.5Å; I92-F110 HydrophobicContact CG2-CE2 3.88Å; I92-F110 HydrophobicContact CG2-CZ 4.26Å; I92-T111 CarbonylContact O-C 3.52Å; I92-T111 WeakPolarHBondContact O-CA 3.48Å; I92-R112 PolarHBondContact N-O 2.79Å; I92-R112 PolarHBondContact O-N 3.1Å; I92-Y114 HydrophobicContact CD1-CD2 4.19Å; I92-Y114 HydrophobicContact CD1-CE2 4.02Å; I92-L135 HydrophobicContact CG2-CD2 4.08Å; I92-I137 HydrophobicContact CD1-CD1 3.3Å; I92-I137 HydrophobicContact CG1-CD1 3.6Å
93E93.8Very high91.9Very high42 Ų4280.7 Ų80.720%0.19639%0.393CS..EExtended strand (participates in β ladder)trans-107.8137175.2-62.6-172.4-176.900109.2F81 E82 M91 K95 F110 T111F81-E93 CarbonylContact C-O 3.53Å; F81-E93 VanDerWaalsContact CA-O 3.24Å; F81-E93 WeakPolarHBondContact CA-O 3.37Å; E82-E93 HydrophobicContact CB-CB 4.35Å; E82-E93 PolarHBondContact N-O 2.88Å; E82-E93 PolarHBondContact O-N 2.84Å; M91-E93 HydrophobicContact CE-CG 4.43Å; M91-E93 VanDerWaalsContact CE-OE1 3.24Å; M91-E93 WeakPolarHBondContact CE-OE1 3.27Å; M91-E93 HydrophobicContact CG-CG 4.43Å; E93-K95 IonicContact OE2-NZ 2.61Å; E93-F110 CarbonylContact C-O 3.57Å; E93-F110 WeakPolarHBondContact CA-O 3.42Å; E93-T111 HydrophobicContact CG-CG2 4.02Å
94G92.4Very high91.8Very high1 Ų179.1 Ų79.11%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-135129.3172.800000110.9K80 E109 F110K80-G94 WeakPolarHBondContact O-CA 3.44Å; G94-E109 CarbonylContact O-C 3.54Å; G94-E109 VanDerWaalsContact O-CA 3.31Å; G94-E109 WeakPolarHBondContact O-CA 3.38Å; G94-F110 VanDerWaalsContact CA-CE1 3.45Å; G94-F110 PolarHBondContact N-O 2.81Å; G94-F110 PolarHBondContact O-N 3.24Å
95K90.1Very high91.5Very high85 Ų8584.5 Ų84.537%0.3741%0.407SS..EExtended strand (participates in β ladder)trans-120129.5-176.9-72.3173.9179.3156.90110.5K80 E93 E109K80-K95 WeakPolarHBondContact CB-O 3.23Å; K80-K95 WeakPolarHBondContact CD-O 3.32Å; K80-K95 PolarHBondContact O-N 3.5Å; E93-K95 IonicContact OE2-NZ 2.61Å; K95-E109 WeakPolarHBondContact CE-OE1 3.13Å; K95-E109 HydrophobicContact CG-CG 3.98Å; K95-E109 IonicContact NZ-OE1 3.89Å
96H86.9Confident91.2Very high18 Ų1882.5 Ų82.58%0.08340%0.395CS..EExtended strand (participates in β ladder)trans-119.8100.7171.9-178.399.1000107.7F76 N99 V106 K107 R108F76-H96 HydrophobicContact CD1-CB 3.95Å; F76-H96 HydrophobicContact CE1-CB 4.32Å; H96-N99 PolarHBondContact CE1-ND2 2.92Å; H96-N99 PolarHBondContact NE2-ND2 2.81Å; H96-V106 PolarHBondContact CD2-O 3.21Å; H96-V106 VanDerWaalsContact CD2-O 3.27Å; H96-V106 PolarHBondContact NE2-O 3.4Å; H96-K107 WeakPolarHBondContact O-CA 3.47Å; H96-K107 VanDerWaalsContact O-CG 3.29Å; H96-K107 WeakPolarHBondContact O-CG 3.15Å; H96-R108 CarbonylContact C-O 3.55Å; H96-R108 WeakPolarHBondContact CA-O 3.25Å; H96-R108 HydrophobicContact CB-CB 4.03Å; H96-R108 WeakPolarHBondContact CB-O 3.21Å; H96-R108 PolarHBondContact N-O 2.82Å; H96-R108 PolarHBondContact O-N 3.29Å; H96-R108 VanDerWaalsContact O-O 3.13Å
97E87.2Confident91.1Very high95 Ų9582.2 Ų82.244%0.44439%0.394SS..EExtended strand (participates in β ladder)trans-54.6154.2170.1-64.3-53.7146.800111.4K80 N99K80-E97 VanDerWaalsContact NZ-CG 3.25Å; E97-N99 PolarHBondContact O-N 2.8Å; E97-N99 VanDerWaalsContact O-N 3.12Å; E97-N99 PolarHBondContact O-ND2 2.88Å
98E89.3Confident90.9Very high125 Ų12581.6 Ų81.658%0.58438%0.384SS*.EExtended strand (participates in β ladder)trans-55.3118.5178.9-170.5167.3-102.300110.8Y105 V106 K107E98-Y105 HydrophobicContact CG-CD1 4.18Å; E98-Y105 HydrophobicContact CG-CG 4.33Å; E98-V106 VanDerWaalsContact CA-O 3.32Å; E98-V106 WeakPolarHBondContact CA-O 3.1Å; E98-K107 HydrophobicContact CB-CB 4.1Å
99N85.9Confident90.8Very high42 Ų4281.4 Ų81.423%0.22538%0.378CS..EExtended strand (participates in β ladder)trans-125.8148.8174.7-62.8-76.7000109.4K77 H96 E97 Y105 V106K77-N99 VanDerWaalsContact NZ-CG 3.35Å; K77-N99 PolarHBondContact NZ-ND2 3.15Å; K77-N99 PolarHBondContact NZ-OD1 2.94Å; H96-N99 PolarHBondContact CE1-ND2 2.92Å; H96-N99 PolarHBondContact NE2-ND2 2.81Å; E97-N99 PolarHBondContact O-N 2.8Å; E97-N99 VanDerWaalsContact O-N 3.12Å; E97-N99 PolarHBondContact O-ND2 2.88Å; N99-Y105 CarbonylContact O-C 3.55Å; N99-Y105 WeakPolarHBondContact O-CA 3.44Å; N99-V106 PolarHBondContact N-O 2.95Å; N99-V106 PolarHBondContact O-N 3.2Å
100K89.2Confident90.6Very high164 Ų16478.1 Ų78.171%0.71337%0.367SS*.EExtended strand (participates in β ladder)trans-70.6132.4171.3-167.3178.5179.2-176.90110.2G104 Y105K100-G104 CarbonylContact C-O 3.5Å; K100-G104 VanDerWaalsContact CA-O 3.25Å; K100-G104 WeakPolarHBondContact CA-O 3.47Å; K100-G104 WeakPolarHBondContact CG-O 3.27Å; K100-Y105 HydrophobicContact CB-CD1 4.17Å; K100-Y105 HydrophobicContact CB-CE1 4.05Å; K100-Y105 HydrophobicContact CG-CE1 4.38Å
101D84.9Confident90.5Very high64 Ų6481.9 Ų81.934%0.34239%0.39SS..EExtended strand (participates in β ladder)trans-117.2-172.2167.173.13.2000110.5H103 G104 V106D101-H103 PolarHBondContact O-N 2.84Å; D101-H103 VanDerWaalsContact O-N 3.17Å; D101-H103 PolarHBondContact OD1-N 2.8Å; D101-G104 PolarHBondContact N-O 3.31Å; D101-G104 PolarHBondContact OD1-N 2.92Å; D101-V106 WeakPolarHBondContact OD2-CG2 3.46Å
102D89.3Confident90.3Very high159 Ų15983 Ų8385%0.8539%0.391SS*.THydrogen-bonded Turntrans-63.6-19.3-177.1-63.1-31.6000113.4
103H90.7Very high90.4Very high181 Ų18186 Ų8684%0.83841%0.409SS*.THydrogen-bonded Turntrans-120.5-3.2-171.8-60.3-57.9000114.1D101D101-H103 PolarHBondContact O-N 2.84Å; D101-H103 VanDerWaalsContact O-N 3.17Å; D101-H103 PolarHBondContact OD1-N 2.8Å
104G92.8Very high90.5Very high28 Ų2885.1 Ų85.129%0.28941%0.405SS..EExtended strand (participates in β ladder)trans156.7-134179.300000112.1K100 D101K100-G104 CarbonylContact C-O 3.5Å; K100-G104 VanDerWaalsContact CA-O 3.25Å; K100-G104 WeakPolarHBondContact CA-O 3.47Å; K100-G104 WeakPolarHBondContact CG-O 3.27Å; D101-G104 PolarHBondContact N-O 3.31Å; D101-G104 PolarHBondContact OD1-N 2.92Å
105Y91.3Very high90.7Very high159 Ų15993.4 Ų93.462%0.62444%0.436SS*.EExtended strand (participates in β ladder)trans-120.7139.6178.6-65.2-89.4000109.4E98 N99 K100E98-Y105 HydrophobicContact CG-CD1 4.18Å; E98-Y105 HydrophobicContact CG-CG 4.33Å; N99-Y105 CarbonylContact O-C 3.55Å; N99-Y105 WeakPolarHBondContact O-CA 3.44Å; K100-Y105 HydrophobicContact CB-CD1 4.17Å; K100-Y105 HydrophobicContact CB-CE1 4.05Å; K100-Y105 HydrophobicContact CG-CE1 4.38Å
106V88.8Confident90.9Very high28 Ų2890.8 Ų90.817%0.1743%0.426CS..EExtended strand (participates in β ladder)trans-131128.3178.2-176.80000111.5H96 E98 N99 D101 R108H96-V106 PolarHBondContact CD2-O 3.21Å; H96-V106 VanDerWaalsContact CD2-O 3.27Å; H96-V106 PolarHBondContact NE2-O 3.4Å; E98-V106 VanDerWaalsContact CA-O 3.32Å; E98-V106 WeakPolarHBondContact CA-O 3.1Å; N99-V106 PolarHBondContact N-O 2.95Å; N99-V106 PolarHBondContact O-N 3.2Å; D101-V106 WeakPolarHBondContact OD2-CG2 3.46Å; V106-R108 HydrophobicContact CG1-CG 3.83Å; V106-R108 VanDerWaalsContact CG1-NH1 3.27Å
107K90.4Very high91.2Very high133 Ų13391.2 Ų91.258%0.57843%0.43SS*.EExtended strand (participates in β ladder)trans-119.2135.7169.3-170.8177.7-178.11710108.9H96 E98H96-K107 WeakPolarHBondContact O-CA 3.47Å; H96-K107 VanDerWaalsContact O-CG 3.29Å; H96-K107 WeakPolarHBondContact O-CG 3.15Å; E98-K107 HydrophobicContact CB-CB 4.1Å
108R88.6Confident91.3Very high95 Ų9595.6 Ų95.636%0.35845%0.448SS..EExtended strand (participates in β ladder)trans-139147.6178-58.6-179.8179.299.5-1110.3F76 H96 V106F76-R108 HydrophobicContact CE1-CB 3.73Å; F76-R108 HydrophobicContact CZ-CB 4.1Å; H96-R108 CarbonylContact C-O 3.55Å; H96-R108 WeakPolarHBondContact CA-O 3.25Å; H96-R108 HydrophobicContact CB-CB 4.03Å; H96-R108 WeakPolarHBondContact CB-O 3.21Å; H96-R108 PolarHBondContact N-O 2.82Å; H96-R108 PolarHBondContact O-N 3.29Å; H96-R108 VanDerWaalsContact O-O 3.13Å; V106-R108 HydrophobicContact CG1-CG 3.83Å; V106-R108 VanDerWaalsContact CG1-NH1 3.27Å
109E91.1Very high91.4Very high120 Ų12090.9 Ų90.956%0.56143%0.433SS*.EExtended strand (participates in β ladder)trans-145.2144.6172.5178.6170.3-165.300108.6G94 K95G94-E109 CarbonylContact O-C 3.54Å; G94-E109 VanDerWaalsContact O-CA 3.31Å; G94-E109 WeakPolarHBondContact O-CA 3.38Å; K95-E109 WeakPolarHBondContact CE-OE1 3.13Å; K95-E109 HydrophobicContact CG-CG 3.98Å; K95-E109 IonicContact NZ-OE1 3.89Å
110F91.7Very high91.7Very high41 Ų4190 Ų9018%0.1843%0.428CS..EExtended strand (participates in β ladder)trans-139.9150.8169.975.8-90000111.5L71 V73 F76 F81 I92 E93 G94 R112L71-F110 HydrophobicContact CD1-CE2 4.44Å; V73-F110 HydrophobicContact CG1-CE1 4.27Å; V73-F110 HydrophobicContact CG1-CZ 4Å; F76-F110 HydrophobicContact CD1-CD1 4.11Å; F76-F110 HydrophobicContact CD1-CE1 4.08Å; F76-F110 HydrophobicContact CD2-CD1 4.33Å; F76-F110 HydrophobicContact CD2-CE1 4.04Å; F76-F110 AromaticContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CD1 3.55Å; F76-F110 HydrophobicContact CE1-CE1 4Å; F76-F110 AromaticContact CE2-CD1 3.79Å; F76-F110 HydrophobicContact CE2-CD1 3.79Å; F76-F110 AromaticContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CE2-CE1 3.94Å; F76-F110 HydrophobicContact CG-CD1 4.48Å; F76-F110 HydrophobicContact CG-CE1 4.13Å; F76-F110 AromaticContact CZ-CD1 3.39Å; F76-F110 HydrophobicContact CZ-CD1 3.39Å; F76-F110 AromaticContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CE1 3.94Å; F76-F110 HydrophobicContact CZ-CG 4.39Å; F81-F110 HydrophobicContact CD1-CE1 4.1Å; F81-F110 AromaticContact CD1-CZ 3.93Å; F81-F110 HydrophobicContact CD1-CZ 3.93Å; F81-F110 AromaticContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CE1 3.86Å; F81-F110 HydrophobicContact CE1-CZ 4Å; I92-F110 HydrophobicContact CB-CE2 4.5Å; I92-F110 HydrophobicContact CG2-CE2 3.88Å; I92-F110 HydrophobicContact CG2-CZ 4.26Å; E93-F110 CarbonylContact C-O 3.57Å; E93-F110 WeakPolarHBondContact CA-O 3.42Å; G94-F110 VanDerWaalsContact CA-CE1 3.45Å; G94-F110 PolarHBondContact N-O 2.81Å; G94-F110 PolarHBondContact O-N 3.24Å; F110-R112 HydrophobicContact CD2-CB 4.34Å
111T93.4Very high91.8Very high79 Ų7984.9 Ų84.949%0.48541%0.408SS..EExtended strand (participates in β ladder)trans-129.2126.2164.9-55.70000107.4M91 I92 E93M91-T111 HydrophobicContact CG-CG2 3.92Å; M91-T111 HydrophobicContact SD-CG2 4.1Å; I92-T111 CarbonylContact O-C 3.52Å; I92-T111 WeakPolarHBondContact O-CA 3.48Å; E93-T111 HydrophobicContact CG-CG2 4.02Å
112R93.6Very high92Very high83 Ų8386.2 Ų86.231%0.31342%0.42SS..EExtended strand (participates in β ladder)trans-128.1127.7177.5-159.1161.7-173.2164.83.3110.6G56 S58 I92 F110 Y114G56-R112 PolarHBondContact O-NH1 2.62Å; S58-R112 VanDerWaalsContact CB-CZ 3.46Å; S58-R112 PolarHBondContact OG-NH2 2.66Å; I92-R112 PolarHBondContact N-O 2.79Å; I92-R112 PolarHBondContact O-N 3.1Å; F110-R112 HydrophobicContact CD2-CB 4.34Å; R112-Y114 HydrophobicContact CB-CE2 4.3Å; R112-Y114 VanDerWaalsContact CD-OH 3.27Å; R112-Y114 WeakPolarHBondContact CD-OH 3.49Å; R112-Y114 HydrophobicContact CG-CE2 3.67Å; R112-Y114 PolarHBondContact NE-OH 2.91Å
113T96.1Very high92.1Very high63 Ų6387.2 Ų87.239%0.38742%0.42SS..EExtended strand (participates in β ladder)trans-119.8132.7-175-52.20000110.3R89 L90R89-T113 HydrophobicContact CB-CG2 3.76Å; R89-T113 HydrophobicContact CG-CG2 4.09Å; L90-T113 CarbonylContact O-C 3.59Å; L90-T113 VanDerWaalsContact O-CA 3.32Å; L90-T113 WeakPolarHBondContact O-CA 3.34Å
114Y96.6Very high92.3Very high25 Ų2579.8 Ų79.810%0.09839%0.388CS..EExtended strand (participates in β ladder)trans-120.5136.8177.7-66-87.7000109.9S58 V60 V69 L71 R89 L90 I92 R112S58-Y114 WeakPolarHBondContact CB-OH 3.26Å; S58-Y114 PolarHBondContact OG-OH 2.95Å; V60-Y114 HydrophobicContact CG2-CD1 3.87Å; V60-Y114 HydrophobicContact CG2-CE1 3.5Å; V69-Y114 HydrophobicContact CG1-CD2 4.06Å; V69-Y114 HydrophobicContact CG1-CE1 4.11Å; V69-Y114 HydrophobicContact CG1-CE2 3.51Å; V69-Y114 HydrophobicContact CG2-CD1 4.14Å; V69-Y114 HydrophobicContact CG2-CD2 4.15Å; V69-Y114 HydrophobicContact CG2-CE1 4.38Å; V69-Y114 HydrophobicContact CG2-CE2 4.39Å; V69-Y114 HydrophobicContact CG2-CG 4.01Å; L71-Y114 HydrophobicContact CD2-CE2 4.43Å; L71-Y114 VanDerWaalsContact CD2-OH 3.25Å; L71-Y114 WeakPolarHBondContact CD2-OH 3.04Å; R89-Y114 CarbonylContact C-O 3.54Å; R89-Y114 VanDerWaalsContact CA-O 3.22Å; R89-Y114 WeakPolarHBondContact CA-O 3.33Å; L90-Y114 PolarHBondContact N-O 2.82Å; L90-Y114 PolarHBondContact O-N 3.43Å; I92-Y114 HydrophobicContact CD1-CD2 4.19Å; I92-Y114 HydrophobicContact CD1-CE2 4.02Å; R112-Y114 HydrophobicContact CB-CE2 4.3Å; R112-Y114 VanDerWaalsContact CD-OH 3.27Å; R112-Y114 WeakPolarHBondContact CD-OH 3.49Å; R112-Y114 HydrophobicContact CG-CE2 3.67Å; R112-Y114 PolarHBondContact NE-OH 2.91Å
115W95.8Very high92.5Very high174 Ų17481 Ų8166%0.65939%0.385SS*.EExtended strand (participates in β ladder)trans-70.4131.8168.9-68.8107.6000110.1R89 P117R89-W115 HydrophobicContact CG-CD2 4.27Å; R89-W115 HydrophobicContact CG-CE3 3.64Å; R89-W115 HydrophobicContact CG-CH2 4.4Å; R89-W115 HydrophobicContact CG-CZ3 3.71Å; R89-W115 VanDerWaalsContact CZ-CH2 3.44Å; R89-W115 VanDerWaalsContact NE-CZ3 3.28Å; R89-W115 VanDerWaalsContact NH2-CH2 3.31Å; W115-P117 WeakPolarHBondContact O-CD 3.26Å
116L95.2Very high92.8Very high31 Ų3179.3 Ų79.316%0.16238%0.381CS..PPolyproline II helixtrans-83.4127.5176.3-70179.4000109.8F67 T85 D88 L90 I120 F125F67-L116 HydrophobicContact CD1-CD2 3.98Å; F67-L116 HydrophobicContact CE1-CD2 3.64Å; F67-L116 HydrophobicContact CZ-CD2 4.27Å; T85-L116 HydrophobicContact CG2-CD1 4.28Å; D88-L116 WeakPolarHBondContact O-CB 3.22Å; D88-L116 PolarHBondContact O-N 3.19Å; L90-L116 HydrophobicContact CB-CD2 3.79Å; L90-L116 HydrophobicContact CB-CG 4.26Å; L116-I120 HydrophobicContact CB-CD1 4.08Å; L116-I120 HydrophobicContact CD2-CD1 3.81Å; L116-I120 HydrophobicContact CG-CD1 4.5Å; L116-F125 HydrophobicContact CD1-CE2 4.43Å; L116-F125 HydrophobicContact CD1-CZ 3.98Å; L116-F125 HydrophobicContact CD2-CE1 4.24Å; L116-F125 HydrophobicContact CD2-CZ 3.69Å
117P93.1Very high93.1Very high26 Ų2681.6 Ų81.617%0.16940%0.399CS..PPolyproline II helixtrans-51.5147.9164.6-25.727.2000112.2N62 F67 W115 I120N62-P117 WeakPolarHBondContact OD1-CG 3.37Å; F67-P117 HydrophobicContact CB-CG 4.37Å; F67-P117 HydrophobicContact CD2-CG 3.54Å; F67-P117 HydrophobicContact CE2-CG 4.08Å; F67-P117 HydrophobicContact CG-CG 4.14Å; W115-P117 WeakPolarHBondContact O-CD 3.26Å; P117-I120 HydrophobicContact CB-CD1 4.01Å; P117-I120 HydrophobicContact CB-CG1 4.32Å; P117-I120 VanDerWaalsContact CD-CD1 3.47Å; P117-I120 HydrophobicContact CG-CD1 3.92Å; P117-I120 WeakPolarHBondContact O-CG1 3.45Å
118K90.3Very high93.3Very high188 Ų18880.3 Ų80.382%0.81740%0.398SS*.THydrogen-bonded Turntrans-62.6145.2170.1-62.2-174.3177.5-176.60110.2L145K118-L145 HydrophobicContact CB-CD1 3.47Å; K118-L145 VanDerWaalsContact CB-CD1 3.47Å
119G90.7Very high93.5Very high26 Ų2678.2 Ų78.227%0.26839%0.394SS..THydrogen-bonded Turntrans78.622.5175.800000113.9K141 V142G119-K141 CarbonylContact O-C 3.57Å; G119-K141 VanDerWaalsContact O-CA 3.29Å; G119-K141 WeakPolarHBondContact O-CA 3.32Å; G119-V142 PolarHBondContact O-N 3.27Å
120I92.6Very high93.6Very high23 Ų2373.4 Ų73.412%0.11837%0.374CS..BIsolated β-bridgetrans-75.1136.8167.6-72.8174.9000109.5F67 L116 P117 P122 F125 A139 K141F67-I120 HydrophobicContact CB-CD1 3.64Å; F67-I120 HydrophobicContact CB-CG1 4.33Å; F67-I120 HydrophobicContact CD1-CD1 3.98Å; F67-I120 HydrophobicContact CG-CD1 3.81Å; L116-I120 HydrophobicContact CB-CD1 4.08Å; L116-I120 HydrophobicContact CD2-CD1 3.81Å; L116-I120 HydrophobicContact CG-CD1 4.5Å; P117-I120 HydrophobicContact CB-CD1 4.01Å; P117-I120 HydrophobicContact CB-CG1 4.32Å; P117-I120 VanDerWaalsContact CD-CD1 3.47Å; P117-I120 HydrophobicContact CG-CD1 3.92Å; P117-I120 WeakPolarHBondContact O-CG1 3.45Å; I120-P122 WeakPolarHBondContact O-CD 2.94Å; I120-F125 HydrophobicContact CG2-CE2 3.62Å; I120-F125 HydrophobicContact CG2-CZ 3.73Å; I120-A139 HydrophobicContact CG2-CB 3.74Å; I120-K141 HydrophobicContact CG1-CG 4.25Å
121N90.6Very high93.6Very high57 Ų5776.8 Ų76.831%0.30540%0.4SS..  trans-79.6113.1169.7-179.93.7000109.2E123 S124 A140 V142N121-E123 PolarHBondContact O-N 2.81Å; N121-E123 PolarHBondContact OD1-N 2.78Å; N121-E123 VanDerWaalsContact OD1-N 3.12Å; N121-S124 WeakPolarHBondContact O-CB 3.24Å; N121-S124 PolarHBondContact O-N 2.87Å; N121-S124 PolarHBondContact O-OG 2.95Å; N121-A140 PolarHBondContact N-O 3.14Å; N121-V142 HydrophobicContact CB-CG2 3.7Å
122P90.1Very high93.5Very high92 Ų9277.8 Ų77.860%0.59740%0.402SS*.G310 helixtrans-62.8-26.4-178.226.5-35.3000113.4I120 S124 F125I120-P122 WeakPolarHBondContact O-CD 2.94Å; P122-S124 VanDerWaalsContact C-N 3.26Å; P122-S124 PolarHBondContact O-N 3.36Å; P122-F125 WeakPolarHBondContact O-CD2 3.32Å
123E91.9Very high93.4Very high179 Ų17974.3 Ų74.384%0.83639%0.392SS*.G310 helixtrans-79.9-10.9178-62.1-177.4172.100112.9N121N121-E123 PolarHBondContact O-N 2.81Å; N121-E123 PolarHBondContact OD1-N 2.78Å; N121-E123 VanDerWaalsContact OD1-N 3.12Å
124S94.7Very high93.3Very high26 Ų2674.1 Ų74.118%0.18239%0.388CS..G310 helixtrans-90-2-176.974.40000114.4N121 P122 K126 A140N121-S124 WeakPolarHBondContact O-CB 3.24Å; N121-S124 PolarHBondContact O-N 2.87Å; N121-S124 PolarHBondContact O-OG 2.95Å; P122-S124 VanDerWaalsContact C-N 3.26Å; P122-S124 PolarHBondContact O-N 3.36Å; S124-K126 PolarHBondContact O-N 2.78Å; S124-A140 PolarHBondContact OG-N 2.97Å; S124-A140 PolarHBondContact OG-O 2.71Å
125F96.5Very high93.2Very high52 Ų5273.3 Ų73.323%0.22839%0.385CS..  trans-63.5130.6177.6-83-79.2000110.8T85 L90 L116 I120 P122 I137 E138 A139T85-F125 HydrophobicContact CG2-CD2 4.19Å; T85-F125 HydrophobicContact CG2-CE1 4.39Å; T85-F125 HydrophobicContact CG2-CE2 3.85Å; T85-F125 HydrophobicContact CG2-CZ 3.97Å; L90-F125 HydrophobicContact CD1-CE1 4.38Å; L116-F125 HydrophobicContact CD1-CE2 4.43Å; L116-F125 HydrophobicContact CD1-CZ 3.98Å; L116-F125 HydrophobicContact CD2-CE1 4.24Å; L116-F125 HydrophobicContact CD2-CZ 3.69Å; I120-F125 HydrophobicContact CG2-CE2 3.62Å; I120-F125 HydrophobicContact CG2-CZ 3.73Å; P122-F125 WeakPolarHBondContact O-CD2 3.32Å; F125-I137 HydrophobicContact CD1-CG2 4.02Å; F125-I137 HydrophobicContact CE1-CG2 4.46Å; F125-E138 CarbonylContact C-O 3.58Å; F125-E138 WeakPolarHBondContact CA-O 3.35Å; F125-A139 HydrophobicContact CD1-CB 3.6Å; F125-A139 HydrophobicContact CD2-CB 4.09Å; F125-A139 HydrophobicContact CE1-CB 3.58Å; F125-A139 HydrophobicContact CE2-CB 4.08Å; F125-A139 HydrophobicContact CG-CB 3.85Å; F125-A139 HydrophobicContact CZ-CB 3.82Å
126K96.8Very high93.3Very high124 Ų12466.5 Ų66.554%0.53936%0.363SS..EExtended strand (participates in β ladder)trans-136.3147.7170.349.8170.3155.9154.60109.7S124 I137 E138S124-K126 PolarHBondContact O-N 2.78Å; K126-I137 WeakPolarHBondContact O-CA 3.35Å; K126-E138 HydrophobicContact CD-CG 3.87Å; K126-E138 VanDerWaalsContact CD-OE1 3.3Å; K126-E138 WeakPolarHBondContact CD-OE1 3.29Å; K126-E138 VanDerWaalsContact CE-CD 3.41Å; K126-E138 WeakPolarHBondContact CE-OE1 3.47Å; K126-E138 HydrophobicContact CG-CG 3.52Å; K126-E138 PolarHBondContact N-O 3.36Å; K126-E138 IonicContact NZ-OE1 3.99Å; K126-E138 PolarHBondContact NZ-OE1 2.9Å; K126-E138 PolarHBondContact O-N 3.26Å
127S95.3Very high93.4Very high77 Ų7765.1 Ų65.154%0.53836%0.356SS..EExtended strand (participates in β ladder)trans-122.7148175.7610000110.6T136S127-T136 CarbonylContact C-O 3.53Å; S127-T136 VanDerWaalsContact CA-O 3.27Å; S127-T136 WeakPolarHBondContact CA-O 3.31Å
128N95Very high93.6Very high105 Ų10566.1 Ų66.156%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-143.3133.2175.3-175.2-84.5000109.5T136N128-T136 PolarHBondContact N-O 3.22Å; N128-T136 PolarHBondContact O-N 3.01Å
129L93.5Very high93.9Very high51 Ų5157.3 Ų57.327%0.26732%0.321SS..EExtended strand (participates in β ladder)trans-108.9113.3172.2-179.459.9000109.2V73 R78 F81 L135V73-L129 HydrophobicContact CG2-CD1 3.61Å; R78-L129 HydrophobicContact CB-CD2 3.62Å; R78-L129 HydrophobicContact CG-CD2 3.69Å; F81-L129 HydrophobicContact CE2-CD2 4.01Å; L129-L135 HydrophobicContact CB-CD1 4.46Å; L129-L135 HydrophobicContact CD1-CB 4.09Å
130S93.1Very high94.1Very high20 Ų2058.3 Ų58.314%0.1433%0.326CS..  trans-76.1156.6179.854.40000112.2N132 G133 L134S130-N132 VanDerWaalsContact CB-OD1 3.24Å; S130-N132 WeakPolarHBondContact CB-OD1 3.35Å; S130-N132 PolarHBondContact O-N 3.39Å; S130-N132 PolarHBondContact OG-OD1 3.03Å; S130-G133 PolarHBondContact O-N 2.75Å; S130-L134 PolarHBondContact N-O 3.03Å; S130-L134 WeakPolarHBondContact OG-CA 3.35Å; S130-L134 VanDerWaalsContact OG-CB 3.23Å; S130-L134 WeakPolarHBondContact OG-CB 3.24Å; S130-L134 PolarHBondContact OG-N 2.85Å; S130-L134 PolarHBondContact OG-O 3.03Å
131P91.9Very high94.2Very high111 Ų11159.2 Ų59.272%0.72133%0.33SS*.THydrogen-bonded Turntrans-60.5-28.5-177.5-25.535000114.5R78 G133R78-P131 PolarHBondContact NH2-O 2.83Å; P131-G133 PolarHBondContact O-N 3.3Å
132N90.9Very high93.9Very high101 Ų10160.8 Ų60.854%0.5434%0.341SS..THydrogen-bonded Turntrans-82.78.7177.366.5-18.6000113.4T74 S130T74-N132 PolarHBondContact OG1-O 3.43Å; S130-N132 VanDerWaalsContact CB-OD1 3.24Å; S130-N132 WeakPolarHBondContact CB-OD1 3.35Å; S130-N132 PolarHBondContact O-N 3.39Å; S130-N132 PolarHBondContact OG-OD1 3.03Å
133G91.5Very high93Very high9 Ų959.5 Ų59.59%0.09335%0.345CS..SBendtrans85.916.7173.700000115V73 T74 S130 P131V73-G133 CarbonylContact C-O 3.5Å; V73-G133 WeakPolarHBondContact CG2-O 3.35Å; V73-G133 PolarHBondContact N-O 3.04Å; T74-G133 PolarHBondContact N-O 2.85Å; S130-G133 PolarHBondContact O-N 2.75Å; P131-G133 PolarHBondContact O-N 3.3Å
134L93.4Very high91.5Very high59 Ų5962 Ų6231%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-93114.7173-52.7174.9000110.7T70 L71 D72 S130T70-L134 HydrophobicContact CG2-CB 4.12Å; L71-L134 CarbonylContact O-C 3.53Å; L71-L134 WeakPolarHBondContact O-CA 3.37Å; D72-L134 HydrophobicContact CB-CD2 4.03Å; S130-L134 PolarHBondContact N-O 3.03Å; S130-L134 WeakPolarHBondContact OG-CA 3.35Å; S130-L134 VanDerWaalsContact OG-CB 3.23Å; S130-L134 WeakPolarHBondContact OG-CB 3.24Å; S130-L134 PolarHBondContact OG-N 2.85Å; S130-L134 PolarHBondContact OG-O 3.03Å
135L95Very high89.8Confident8 Ų865.7 Ų65.74%0.04236%0.363CS..EExtended strand (participates in β ladder)trans-84.4117.4171.1176.162.7000109.2T70 L71 V73 I92 L129 I137T70-L135 CarbonylContact C-O 3.51Å; T70-L135 WeakPolarHBondContact CA-O 3.28Å; L71-L135 HydrophobicContact CB-CB 4.36Å; L71-L135 PolarHBondContact N-O 2.88Å; L71-L135 PolarHBondContact O-N 2.87Å; V73-L135 HydrophobicContact CG1-CB 4.24Å; V73-L135 HydrophobicContact CG2-CB 3.89Å; I92-L135 HydrophobicContact CG2-CD2 4.08Å; L129-L135 HydrophobicContact CB-CD1 4.46Å; L129-L135 HydrophobicContact CD1-CB 4.09Å; L135-I137 HydrophobicContact CD2-CD1 4.32Å; L135-I137 HydrophobicContact CG-CD1 4.4Å; L135-I137 HydrophobicContact CG-CG1 4.42Å
136T96.3Very high87.9Confident31 Ų3171.6 Ų71.619%0.1939%0.391CS..EExtended strand (participates in β ladder)trans-109.5130.4175.7-53.90000109.6Q68 V69 S127 N128Q68-T136 HydrophobicContact CG-CG2 3.8Å; V69-T136 CarbonylContact O-C 3.51Å; V69-T136 WeakPolarHBondContact O-CA 3.05Å; S127-T136 CarbonylContact C-O 3.53Å; S127-T136 VanDerWaalsContact CA-O 3.27Å; S127-T136 WeakPolarHBondContact CA-O 3.31Å; N128-T136 PolarHBondContact N-O 3.22Å; N128-T136 PolarHBondContact O-N 3.01Å
137I97.2Very high86.3Confident3 Ų371.6 Ų71.62%0.01541%0.407CS..EExtended strand (participates in β ladder)trans-124.6126173.9-61.9156.5000107.2Q68 V69 I83 L90 I92 F125 K126 L135Q68-I137 CarbonylContact C-O 3.58Å; Q68-I137 VanDerWaalsContact CA-O 3.28Å; Q68-I137 WeakPolarHBondContact CA-O 3.35Å; V69-I137 PolarHBondContact N-O 2.8Å; V69-I137 PolarHBondContact O-N 2.82Å; I83-I137 HydrophobicContact CD1-CD1 3.69Å; I83-I137 HydrophobicContact CD1-CG1 3.9Å; I83-I137 HydrophobicContact CG1-CD1 4.03Å; I83-I137 HydrophobicContact CG2-CD1 4.05Å; L90-I137 HydrophobicContact CD1-CG2 4.25Å; L90-I137 HydrophobicContact CD2-CB 4.38Å; L90-I137 HydrophobicContact CD2-CD1 4.45Å; L90-I137 HydrophobicContact CD2-CG2 3.85Å; I92-I137 HydrophobicContact CD1-CD1 3.3Å; I92-I137 HydrophobicContact CG1-CD1 3.6Å; F125-I137 HydrophobicContact CD1-CG2 4.02Å; F125-I137 HydrophobicContact CE1-CG2 4.46Å; K126-I137 WeakPolarHBondContact O-CA 3.35Å; L135-I137 HydrophobicContact CD2-CD1 4.32Å; L135-I137 HydrophobicContact CG-CD1 4.4Å; L135-I137 HydrophobicContact CG-CG1 4.42Å
138E97.2Very high85.1Confident46 Ų4672.5 Ų72.522%0.21541%0.409CS..EExtended strand (participates in β ladder)trans-137.9151.2-178.862.7178.4169.900112.2F67 Q68 F125 K126F67-E138 CarbonylContact O-C 3.53Å; F67-E138 VanDerWaalsContact O-CA 3.22Å; F67-E138 WeakPolarHBondContact O-CA 2.94Å; Q68-E138 HydrophobicContact CB-CB 3.9Å; Q68-E138 HydrophobicContact CG-CB 4.02Å; F125-E138 CarbonylContact C-O 3.58Å; F125-E138 WeakPolarHBondContact CA-O 3.35Å; K126-E138 HydrophobicContact CD-CG 3.87Å; K126-E138 VanDerWaalsContact CD-OE1 3.3Å; K126-E138 WeakPolarHBondContact CD-OE1 3.29Å; K126-E138 VanDerWaalsContact CE-CD 3.41Å; K126-E138 WeakPolarHBondContact CE-OE1 3.47Å; K126-E138 HydrophobicContact CG-CG 3.52Å; K126-E138 PolarHBondContact N-O 3.36Å; K126-E138 IonicContact NZ-OE1 3.99Å; K126-E138 PolarHBondContact NZ-OE1 2.9Å; K126-E138 PolarHBondContact O-N 3.26Å
139A97.1Very high84.5Confident4 Ų476.3 Ų76.33%0.03342%0.423CS..EExtended strand (participates in β ladder)trans-143.2147.8176.300000110.6K66 F67 I120 F125K66-A139 CarbonylContact C-O 3.44Å; K66-A139 VanDerWaalsContact CA-O 3.3Å; K66-A139 WeakPolarHBondContact CA-O 3.02Å; F67-A139 PolarHBondContact N-O 2.76Å; F67-A139 PolarHBondContact O-N 3.49Å; I120-A139 HydrophobicContact CG2-CB 3.74Å; F125-A139 HydrophobicContact CD1-CB 3.6Å; F125-A139 HydrophobicContact CD2-CB 4.09Å; F125-A139 HydrophobicContact CE1-CB 3.58Å; F125-A139 HydrophobicContact CE2-CB 4.08Å; F125-A139 HydrophobicContact CG-CB 3.85Å; F125-A139 HydrophobicContact CZ-CB 3.82Å
140A95.4Very high83.8Confident46 Ų4681 Ų8138%0.3844%0.444SS..EExtended strand (participates in β ladder)trans-79.5146.5173.400000110.8N121 S124N121-A140 PolarHBondContact N-O 3.14Å; S124-A140 PolarHBondContact OG-N 2.97Å; S124-A140 PolarHBondContact OG-O 2.71Å
141K93.8Very high83.6Confident43 Ų4389.3 Ų89.319%0.18748%0.478CS..BIsolated β-bridgetrans-89.9132.5168.1-66.8-175.2-178.1173.20110N62 D63 K65 G119 I120 G143N62-K141 WeakPolarHBondContact OD1-CE 3.36Å; N62-K141 PolarHBondContact OD1-NZ 3.35Å; D63-K141 VanDerWaalsContact O-CD 3.28Å; D63-K141 WeakPolarHBondContact O-CD 3.4Å; D63-K141 WeakPolarHBondContact O-CE 2.91Å; D63-K141 PolarHBondContact O-NZ 2.86Å; K65-K141 PolarHBondContact O-N 3.01Å; G119-K141 CarbonylContact O-C 3.57Å; G119-K141 VanDerWaalsContact O-CA 3.29Å; G119-K141 WeakPolarHBondContact O-CA 3.32Å; I120-K141 HydrophobicContact CG1-CG 4.25Å; K141-G143 PolarHBondContact O-N 3Å
142V86.1Confident83.5Confident89 Ų8991.3 Ų91.354%0.53948%0.48SS..PPolyproline II helixtrans-62.9121.8166.1-172.30000107G119 N121G119-V142 PolarHBondContact O-N 3.27Å; N121-V142 HydrophobicContact CB-CG2 3.7Å
143G71.2Confident83.4Confident66 Ų6691.3 Ų91.368%0.6849%0.486SS*.SBendtrans-51.4141.5-169.500000114.3K141 L145K141-G143 PolarHBondContact O-N 3Å; G143-L145 PolarHBondContact O-N 3.12Å
144R59.8Low83.3Confident230 Ų23098.2 Ų98.287%0.86852%0.519SS*.  trans20.984.5178.3-65.7-169.3-167-170.34.6114.9H146R144-H146 PolarHBondContact O-CD2 3.17Å; R144-H146 PolarHBondContact O-N 2.94Å
145L58.5Low83.3Confident104 Ų104104.6 Ų104.655%0.54554%0.544SS..  trans-51.6115.8141.8-81.7168.3000106.3K118 G143 S147K118-L145 HydrophobicContact CB-CD1 3.47Å; K118-L145 VanDerWaalsContact CB-CD1 3.47Å; G143-L145 PolarHBondContact O-N 3.12Å; L145-S147 PolarHBondContact O-N 2.86Å
146H57.1Low83Confident176 Ų176114.7 Ų114.782%0.81558%0.582SS**  trans-53.5104.3-171.6-67.4-133.1000108.9R144 V148R144-H146 PolarHBondContact O-CD2 3.17Å; R144-H146 PolarHBondContact O-N 2.94Å; H146-V148 VanDerWaalsContact C-N 3.29Å; H146-V148 PolarHBondContact O-N 3.44Å
147S63.2Low82.4Confident124 Ų124119.3 Ų119.387%0.86761%0.613SS**  trans-72.690.9173.7-59.70000107.2L145 E149L145-S147 PolarHBondContact O-N 2.86Å; S147-E149 PolarHBondContact O-N 2.81Å; S147-E149 VanDerWaalsContact O-N 3.17Å
148V70.7Confident81.7Confident96 Ų96129.1 Ų129.158%0.58266%0.655SS**  trans-68.8110.8169.3-177.90000106.6H146 H150H146-V148 VanDerWaalsContact C-N 3.29Å; H146-V148 PolarHBondContact O-N 3.44Å; V148-H150 PolarHBondContact O-CD2 2.99Å; V148-H150 VanDerWaalsContact O-CD2 3.28Å; V148-H150 PolarHBondContact O-N 3.08Å
149E80.4Confident80.7Confident185 Ų185140.2 Ų140.286%0.86470%0.703SS**  trans-64.1118.8171.7-174.9-179174.800108.5S147S147-E149 PolarHBondContact O-N 2.81Å; S147-E149 VanDerWaalsContact O-N 3.17Å
150H80.4Confident79.9Confident150 Ų150147.1 Ų147.169%0.69474%0.736SS**  trans-107.3110.4174.9-73.6-72000109.6V148 I152V148-H150 PolarHBondContact O-CD2 2.99Å; V148-H150 VanDerWaalsContact O-CD2 3.28Å; V148-H150 PolarHBondContact O-N 3.08Å; H150-I152 PolarHBondContact O-N 2.82Å
151K88.6Confident79Confident195 Ų195152.4 Ų152.485%0.84876%0.755SS**  trans-72.4116.5173.2-172.9174.1-176.8175.40109.8P153K151-P153 WeakPolarHBondContact O-CD 3.25Å
152I89.4Confident78.2Confident152 Ų152158.4 Ų158.478%0.77979%0.786SS**  trans-90.9113.1176.1-56.5173.3000108.6H150H150-I152 PolarHBondContact O-N 2.82Å
153P89.5Confident77.8Confident101 Ų101162.5 Ų162.566%0.65680%0.801SS**PPolyproline II helixtrans-75.8132.9179.129.7-33.2000111.4K151K151-P153 WeakPolarHBondContact O-CD 3.25Å
154I89.8Confident78.2Confident155 Ų155168.6 Ų168.680%0.79581%0.808SS**PPolyproline II helixtrans-83.8116.2171.5-58.1173.1000108.6
155K92Very high79.4Confident192 Ų192164.5 Ų164.584%0.83580%0.804SS**PPolyproline II helixtrans-88.9125.6169.6-66.4-177.3-178.6177.80109.3
156R88.7Confident80.9Confident221 Ų221168.8 Ų168.883%0.83482%0.823SS**PPolyproline II helixtrans-97.9141.9169-64-179.1-176.5170.60.9109.2
157P85Confident82.7Confident128 Ų128168.2 Ų168.283%0.83182%0.824SS**PPolyproline II helixtrans-63.3142174.226.6-32.6000110.3
158K82.1Confident84.3Confident209 Ų209171.9 Ų171.991%0.90982%0.82SS**PPolyproline II helixtrans-72.1133.9172.9-68.9-173.3177.1-178.60108.8
159K75.5Confident85.6Confident279 Ų279178.8 Ų178.8100%1.21384%0.842SS**  trans-73.20174.4-169.4178.5-178.6-178.70110.7

Retrieved 159 of 159 residues in 168.8 ms (Link to these results)