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Ornithine decarboxylase antizyme 2

Ornithine decarboxylase (ODC) antizyme protein that negatively regulates ODC activity and intracellular polyamine biosynthesis and uptake in response to increased intracellular polyamine levels. Binds to ODC monomers, inhibiting the assembly of the functional ODC homodimers. Does not target the ODC monomers for degradation, which allows a protein synthesis-independent restoration of ODC activity1. Involved in the translocation of AZIN2 from ER-Golgi intermediate compartment (ERGIC) to the cytosol (By similarity).

AlphaFold DB , UniProt , Accession O95190, Species HUMAN (Homo sapiens, Human), Gene OAZ2, Length 189 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low40.7Very low252 Ų252145.4 Ų145.4100%1.24180%0.804SS**  0124.30-83.1159.8165.400107.1
2I37Very low40.3Very low150 Ų150148.6 Ų148.677%0.76982%0.818SS**  trans-72.1140.7-170-90.2146.4000111
3N42.3Very low40.1Very low142 Ų142145.2 Ų145.276%0.75981%0.811SS**  trans-159.8104.2133.6-97-20.4000110.4
4T40.2Very low39.7Very low135 Ų135146.1 Ų146.183%0.82881%0.813SS**  trans-118.6105.3171-41.50000105.7
5Q49.7Very low39.5Very low156 Ų156145.1 Ų145.173%0.72982%0.818SS**  trans-151.7136.2173.8-68.5-174-81.100104.9
6D42Very low39.3Very low128 Ų128143.2 Ų143.268%0.68481%0.814SS**  cis-161.8126.511.6-132.2-80.9000104
7S37.5Very low39.1Very low116 Ų116144 Ų14481%0.81181%0.809SS**  trans-117.592.5172.4-64.60000107.7I9S7-I9 PolarHBondContact O-N 2.93Å; S7-I9 VanDerWaalsContact O-N 3.13Å
8S41.2Very low39.1Very low104 Ų104146.1 Ų146.173%0.72782%0.817SS**  trans-75.494.3177.636.70000110.2
9I37.9Very low39Very low159 Ų159146.5 Ų146.582%0.81581%0.812SS**  trans-80.8109.5166-61.1178.6000107.5S7S7-I9 PolarHBondContact O-N 2.93Å; S7-I9 VanDerWaalsContact O-N 3.13Å
10L40.3Very low38.7Very low147 Ų147145 Ų14577%0.7781%0.81SS**  trans-85.8137.1168.3-66.6-179.9000110.6
11P34.4Very low38.9Very low110 Ų110142.5 Ų142.571%0.71480%0.802SS**  trans-85.6117.3-179.632.9-29.9000110.6S13P11-S13 PolarHBondContact O-N 2.69Å
12L36.4Very low38.7Very low184 Ų184141.5 Ų141.596%0.96378%0.784SS**  trans-80.794.4164.2-88109.1000109.8
13S37.6Very low39.1Very low104 Ų104142.2 Ų142.273%0.72778%0.784SS**  trans-100.9129.2162.4-91.70000110.2P11P11-S13 PolarHBondContact O-N 2.69Å
14N34.6Very low39.3Very low158 Ų158143.2 Ų143.285%0.84579%0.787SS**  trans51.3105.8153.7-79.9-11.2000119.5
15C36.1Very low39.8Very low132 Ų132142.6 Ų142.689%0.89278%0.783SS**  trans-125.1128.4145.3-81.30000109.8
16P36.1Very low39.9Very low114 Ų114141 Ų14174%0.7479%0.786SS**  trans-86.7143.4-174.634.2-32.8000112.7
17Q36.9Very low40.5Very low157 Ų157138.3 Ų138.373%0.73479%0.789SS**  trans46.795.5141.4-57.9-76.45.500117.9
18L38.3Very low41.1Very low182 Ų182139.2 Ų139.295%0.95379%0.792SS**  trans-10790.4152.4-73-177.3000109.8C20L18-C20 PolarHBondContact O-N 2.81Å
19Q37.8Very low41.6Very low154 Ų154141.3 Ų141.372%0.7279%0.794SS**  trans-84.793.5174.4-172.2165.7-26.700108.9C21Q19-C21 PolarHBondContact O-N 2.82Å
20C33.3Very low42.3Very low115 Ų115144.7 Ų144.778%0.77780%0.797SS**  trans-92.271.1175.9-161.20000110.7L18L18-C20 PolarHBondContact O-N 2.81Å
21C41.8Very low42.8Very low94 Ų94143 Ų14364%0.63580%0.796SS**  trans-93.696.4167.5-66.90000109Q19 H23Q19-C21 PolarHBondContact O-N 2.82Å; C21-H23 VanDerWaalsContact C-N 3.29Å; C21-H23 PolarHBondContact O-N 3.18Å
22R40.4Very low43.4Very low231 Ų231143 Ų14387%0.87280%0.799SS**  trans-7583165.1-74.7-176.6166.9-177.2-2.4109.2
23H45.8Very low44Very low165 Ų165141.8 Ų141.876%0.76479%0.793SS**  trans-86.7105.8161.3-103.6-102000108.8C21C21-H23 VanDerWaalsContact C-N 3.29Å; C21-H23 PolarHBondContact O-N 3.18Å
24I46.4Very low44.8Very low163 Ų163141.3 Ų141.384%0.83680%0.796SS**  trans-72.6118.5163-81.1152000107
25V50.4Low45.5Very low121 Ų121138.7 Ų138.773%0.73379%0.787SS**  trans-118134.4172.5-156.40000107.8
26P52Low46.5Very low122 Ų122141.3 Ų141.379%0.79279%0.786SS**  trans-97.3143.8-172.334.4-27.6000113
27G55.3Low47.3Very low72 Ų72141 Ų14174%0.74278%0.784SS**  trans148.7163.1156.300000115.3
28P50.1Low47.7Very low135 Ų135141.2 Ų141.288%0.87779%0.79SS**  cis-133.4176.6-31.234.4-15000114
29L52.6Low48.4Very low149 Ų149138 Ų13878%0.7878%0.782SS**  trans-65.3162.1-176.9-79112.9000116.9
30W52.1Low48.8Very low230 Ų230140.7 Ų140.787%0.87179%0.791SS**  trans89.6108.1162.8-70.5-40.5000117.7
31C49.6Very low50Low111 Ų111142.4 Ų142.475%0.7579%0.792SS**  80.2100.268.2-72.70000114.3
32S47.5Very low50.3Low111 Ų111144.1 Ų144.178%0.77680%0.802SS**  136.1129.9114.3-70.60000116.2
33D49.2Very low50.8Low157 Ų157136.3 Ų136.384%0.8479%0.793SS**  trans52.3112.1149.2-86.3-43.8000122.3
34A53.8Low50.7Low95 Ų95132.3 Ų132.379%0.78580%0.796SS**  -170132115.700000110.8
35P51Low51.2Low102 Ų102136 Ų13666%0.66280%0.799SS**  trans-101.4131.3-18034.7-26.1000111.3
36H56.2Low51.1Low188 Ų188133.8 Ų133.887%0.8780%0.801SS**  trans-153.1144.8152.6-78.5-55.5000112.8
37P52.6Low51Low108 Ų108131.4 Ų131.470%0.70180%0.799SS**  trans-109.2171.6-161.841.9-32.4000115.2
38L45.1Very low50.6Low161 Ų161131.3 Ų131.384%0.84380%0.798SS**  trans75.1104.6163.3-55-177.8000118.4
39S53.3Low50.9Low115 Ų115136 Ų13680%0.80480%0.798SS**  -179103.7124.8-81.10000112.5
40K45.7Very low51Low209 Ų209135.7 Ų135.791%0.90980%0.797SS**  trans41.584.8132.3-144.5178-165.2-175.70118
41I58.5Low51.3Low152 Ų152129.3 Ų129.378%0.77979%0.785SS**  trans-136.3122.7149-54.8179.9000108.5G43I41-G43 VanDerWaalsContact C-N 3.28Å; I41-G43 PolarHBondContact O-N 2.83Å
42P48.8Very low51.9Low130 Ų130127.7 Ų127.784%0.84478%0.775SS**  trans-74.683.1174.431.5-31.4000108.9G44P42-G44 VanDerWaalsContact C-N 3.31Å; P42-G44 PolarHBondContact O-N 3.34Å
43G50.6Low53.3Low67 Ų67127.6 Ų127.669%0.69177%0.765SS**  trans-92.347.8-178.900000113I41 R45I41-G43 VanDerWaalsContact C-N 3.28Å; I41-G43 PolarHBondContact O-N 2.83Å; G43-R45 PolarHBondContact O-N 3.1Å
44G43.6Very low55Low80 Ų80122.6 Ų122.683%0.82574%0.743SS**  trans-73.870.4172.400000110.6P42 G46P42-G44 VanDerWaalsContact C-N 3.31Å; P42-G44 PolarHBondContact O-N 3.34Å; G44-G46 PolarHBondContact O-N 3.43Å
45R56.8Low56.8Low240 Ų240120 Ų12091%0.90672%0.721SS**  trans-81.674.5173.8-157.4176.4176.8-150.2-0.9108.4G43 G47G43-R45 PolarHBondContact O-N 3.1Å; R45-G47 PolarHBondContact O-N 3.04Å
46G49.4Very low58.9Low75 Ų75120.4 Ų120.477%0.77372%0.717SS**  trans-63.588.1163.700000108.5G44 G48G44-G46 PolarHBondContact O-N 3.43Å; G46-G48 PolarHBondContact O-N 2.88Å
47G48.2Very low60.7Low72 Ų72115 Ų11574%0.74269%0.694SS**  trans-73.161.4163.800000109.3R45 R49R45-G47 PolarHBondContact O-N 3.04Å; G47-R49 VanDerWaalsContact C-N 3.29Å; G47-R49 PolarHBondContact O-N 3.06Å
48G48.5Very low62.8Low70 Ų70113 Ų11372%0.72267%0.673SS**  trans-66.395.3166.800000106.7G46 D50G46-G48 PolarHBondContact O-N 2.88Å; G48-D50 VanDerWaalsContact C-N 3.34Å; G48-D50 PolarHBondContact O-N 3.08Å
49R55.7Low65.2Low234 Ų234112.2 Ų112.288%0.88366%0.663SS**  trans-56.2107.5161.2-77.3176.2171.4175.7-3.6105.2G47 P51G47-R49 VanDerWaalsContact C-N 3.29Å; G47-R49 PolarHBondContact O-N 3.06Å; R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.47Å; R49-P51 VanDerWaalsContact O-N 3.09Å
50D55.5Low67.2Low143 Ų143109.8 Ų109.877%0.76564%0.641SS**  trans-56.1116.9167.7-132.1-18.6000105.6G48 S52G48-D50 VanDerWaalsContact C-N 3.34Å; G48-D50 PolarHBondContact O-N 3.08Å; D50-S52 PolarHBondContact O-N 2.68Å
51P57.5Low69.5Low96 Ų96108.5 Ų108.562%0.62364%0.638SS**  trans-58.1127.1170.6-14.127.9000105.6R49 L53R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.47Å; R49-P51 VanDerWaalsContact O-N 3.09Å; P51-L53 PolarHBondContact O-N 3.42Å
52S61.5Low71.2Confident76 Ų76106.1 Ų106.153%0.53162%0.622SS.*  trans-49.2112.9170.347.80000107.6D50 S54D50-S52 PolarHBondContact O-N 2.68Å; S52-S54 PolarHBondContact O-N 2.77Å; S52-S54 VanDerWaalsContact O-N 3.13Å
53L77.3Confident73.5Confident110 Ų110100.1 Ų100.158%0.57658%0.582SS**  trans-70.8111.8-177.9-67.3177.7000106.9P51 L69P51-L53 PolarHBondContact O-N 3.42Å; L53-L69 HydrophobicContact CB-CD1 3.7Å; L53-L69 HydrophobicContact CB-CG 4.35Å; L53-L69 HydrophobicContact CD1-CD1 4.44Å; L53-L69 VanDerWaalsContact O-CB 3.32Å; L53-L69 WeakPolarHBondContact O-CB 3.33Å; L53-L69 VanDerWaalsContact O-CG 3.25Å; L53-L69 WeakPolarHBondContact O-CG 3.34Å; L53-L69 PolarHBondContact O-N 3.4Å
54S85.6Confident75.7Confident52 Ų5298.3 Ų98.336%0.36456%0.558SS.*EExtended strand (participates in β ladder)trans-100.6130.5171.6-470000108.6S52 Q67 D68S52-S54 PolarHBondContact O-N 2.77Å; S52-S54 VanDerWaalsContact O-N 3.13Å; S54-Q67 CarbonylContact C-O 3.44Å; S54-Q67 VanDerWaalsContact CA-O 3.24Å; S54-Q67 WeakPolarHBondContact CA-O 3.44Å; S54-D68 PolarHBondContact OG-OD1 2.87Å; S54-D68 VanDerWaalsContact OG-OD1 3.04Å
55A91.6Very high78.3Confident39 Ų3994.5 Ų94.532%0.32252%0.519SS..EExtended strand (participates in β ladder)trans-85.1138.517500000110.6I57 T66 Q67 L69A55-I57 PolarHBondContact O-N 2.97Å; A55-T66 CarbonylContact O-C 3.55Å; A55-T66 WeakPolarHBondContact O-CA 3.32Å; A55-T66 WeakPolarHBondContact O-CB 3.37Å; A55-Q67 PolarHBondContact N-O 3.48Å; A55-Q67 PolarHBondContact O-N 3.34Å; A55-L69 HydrophobicContact CB-CD2 3.9Å
56L94.8Very high80.2Confident111 Ų11184.3 Ų84.358%0.58148%0.483SS*.EExtended strand (participates in β ladder)trans-74.3118.9171.7-177.169000109.7Y58 K59 T64 T66L56-Y58 WeakPolarHBondContact CD1-O 3.33Å; L56-K59 HydrophobicContact CD1-CB 4.36Å; L56-K59 HydrophobicContact CD2-CB 4.48Å; L56-T64 HydrophobicContact CD1-CG2 3.71Å; L56-T66 HydrophobicContact CD1-CG2 3.95Å
57I93.4Very high82.3Confident75 Ų7583.5 Ų83.539%0.38546%0.459SS..EExtended strand (participates in β ladder)trans-94.2-41.1177.6-57.9164.7000110.6A55 V65 Q67 V79 F125A55-I57 PolarHBondContact O-N 2.97Å; I57-V65 HydrophobicContact CB-CG1 4.44Å; I57-V65 HydrophobicContact CD1-CG1 4.2Å; I57-V65 PolarHBondContact N-O 2.95Å; I57-Q67 HydrophobicContact CD1-CB 3.18Å; I57-Q67 HydrophobicContact CD1-CG 4.24Å; I57-Q67 HydrophobicContact CG1-CB 3.88Å; I57-V79 HydrophobicContact CD1-CG1 4.25Å; I57-F125 HydrophobicContact CG2-CZ 4.42Å
58Y96.5Very high84.2Confident66 Ų6680.7 Ų80.726%0.25943%0.428SS..EExtended strand (participates in β ladder)trans-154148.1-174.5179.2-104.4000111.4L56 D60 L63 V65 F125L56-Y58 WeakPolarHBondContact CD1-O 3.33Å; Y58-D60 HydrophobicContact CE1-CB 3.91Å; Y58-D60 VanDerWaalsContact CE1-OD2 3.32Å; Y58-D60 WeakPolarHBondContact CE1-OD2 3.04Å; Y58-D60 WeakPolarHBondContact OH-CB 3.42Å; Y58-D60 PolarHBondContact OH-OD2 3.38Å; Y58-L63 HydrophobicContact CD1-CD2 4.33Å; Y58-L63 HydrophobicContact CE1-CD2 4.22Å; Y58-V65 HydrophobicContact CD1-CG2 4.14Å; Y58-V65 PolarHBondContact N-O 3.19Å; Y58-V65 VanDerWaalsContact N-O 3.15Å; Y58-V65 PolarHBondContact O-N 3.23Å; Y58-F125 AromaticContact CD1-CD2 3.57Å; Y58-F125 HydrophobicContact CD1-CD2 3.57Å; Y58-F125 AromaticContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD2-CD2 4.47Å; Y58-F125 AromaticContact CD2-CE2 4Å; Y58-F125 HydrophobicContact CD2-CE2 4Å; Y58-F125 AromaticContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CE2 4.28Å; Y58-F125 AromaticContact CG-CD2 3.87Å; Y58-F125 HydrophobicContact CG-CD2 3.87Å; Y58-F125 AromaticContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CZ 4.35Å
59K96.3Very high85.8Confident145 Ų14581.2 Ų81.263%0.6341%0.413SS*.EExtended strand (participates in β ladder)trans-151.6128171.6-173.5170.7-176.4178.90109.9L56 L63L56-K59 HydrophobicContact CD1-CB 4.36Å; L56-K59 HydrophobicContact CD2-CB 4.48Å; K59-L63 WeakPolarHBondContact CA-O 3.34Å
60D94.6Very high86.6Confident64 Ų6474 Ų7434%0.34240%0.397SS..  trans-120.5-158.5167.569.131.7000111.1Y58 K62 L63Y58-D60 HydrophobicContact CE1-CB 3.91Å; Y58-D60 VanDerWaalsContact CE1-OD2 3.32Å; Y58-D60 WeakPolarHBondContact CE1-OD2 3.04Å; Y58-D60 WeakPolarHBondContact OH-CB 3.42Å; Y58-D60 PolarHBondContact OH-OD2 3.38Å; D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 PolarHBondContact OD1-N 2.95Å; D60-L63 PolarHBondContact N-O 3.26Å; D60-L63 PolarHBondContact OD1-N 2.91Å
61E94.2Very high87.1Confident182 Ų18272.8 Ų72.885%0.8539%0.394SS*.SBendtrans-60.9-31.8178.9-62.5-174167.400113.8
62K95.4Very high87.6Confident101 Ų10174 Ų7444%0.43940%0.395SS..SBendtrans-131.4-29.8-174.9-67.7-167.9171.6-171.20114.6D60 Y83 E84D60-K62 VanDerWaalsContact C-N 3.29Å; D60-K62 PolarHBondContact O-N 2.92Å; D60-K62 PolarHBondContact OD1-N 2.95Å; K62-Y83 HydrophobicContact CB-CD2 4.13Å; K62-Y83 HydrophobicContact CB-CE2 3.75Å; K62-Y83 HydrophobicContact CD-CE2 4.04Å; K62-Y83 WeakPolarHBondContact CD-OH 3.36Å; K62-Y83 CarbonylContact O-C 3.53Å; K62-Y83 WeakPolarHBondContact O-CA 3.08Å; K62-E84 HydrophobicContact CB-CB 4.42Å; K62-E84 PolarHBondContact O-N 2.97Å
63L96.9Very high87.8Confident4 Ų478.2 Ų78.22%0.02141%0.412CS..EExtended strand (participates in β ladder)trans-99.9125.3-177.2-173.567.1000110.5Y58 K59 D60 V65 F81 Q82 A121 F125Y58-L63 HydrophobicContact CD1-CD2 4.33Å; Y58-L63 HydrophobicContact CE1-CD2 4.22Å; K59-L63 WeakPolarHBondContact CA-O 3.34Å; D60-L63 PolarHBondContact N-O 3.26Å; D60-L63 PolarHBondContact OD1-N 2.91Å; L63-V65 HydrophobicContact CD1-CG2 4.42Å; L63-V65 HydrophobicContact CD2-CG2 4Å; L63-V65 HydrophobicContact CG-CG2 3.91Å; L63-F81 HydrophobicContact CD1-CD1 4.36Å; L63-Q82 CarbonylContact C-O 3.56Å; L63-Q82 WeakPolarHBondContact CA-O 3.41Å; L63-A121 HydrophobicContact CD2-CB 4.42Å; L63-F125 HydrophobicContact CD2-CB 3.74Å; L63-F125 HydrophobicContact CD2-CD2 4.28Å; L63-F125 HydrophobicContact CD2-CG 4.11Å
64T97.3Very high87.4Confident29 Ų2976.6 Ų76.618%0.17842%0.422CS..EExtended strand (participates in β ladder)trans-116.8128.5168.2-60.90000108.8L56 T66 Q82L56-T64 HydrophobicContact CD1-CG2 3.71Å; T64-T66 HydrophobicContact CG2-CG2 4.39Å; T64-Q82 PolarHBondContact N-O 2.93Å; T64-Q82 PolarHBondContact O-N 3.37Å
65V97.3Very high86.7Confident0 Ų078.9 Ų78.90%043%0.426CS..EExtended strand (participates in β ladder)trans-121.3121.8179.7-171.30000109.6I57 Y58 L63 V79 H80 F81 F125I57-V65 HydrophobicContact CB-CG1 4.44Å; I57-V65 HydrophobicContact CD1-CG1 4.2Å; I57-V65 PolarHBondContact N-O 2.95Å; Y58-V65 HydrophobicContact CD1-CG2 4.14Å; Y58-V65 PolarHBondContact N-O 3.19Å; Y58-V65 VanDerWaalsContact N-O 3.15Å; Y58-V65 PolarHBondContact O-N 3.23Å; L63-V65 HydrophobicContact CD1-CG2 4.42Å; L63-V65 HydrophobicContact CD2-CG2 4Å; L63-V65 HydrophobicContact CG-CG2 3.91Å; V65-V79 HydrophobicContact CG1-CG1 3.43Å; V65-V79 VanDerWaalsContact CG1-CG1 3.43Å; V65-H80 VanDerWaalsContact CA-O 3.31Å; V65-H80 WeakPolarHBondContact CA-O 3.44Å; V65-F81 HydrophobicContact CG1-CD1 4.21Å; V65-F81 HydrophobicContact CG1-CE1 4Å; V65-F81 HydrophobicContact CG1-CZ 4.31Å; V65-F81 HydrophobicContact CG2-CD1 3.75Å; V65-F81 HydrophobicContact CG2-CE1 3.94Å; V65-F125 HydrophobicContact CB-CE1 4.38Å; V65-F125 HydrophobicContact CB-CZ 4.15Å; V65-F125 HydrophobicContact CG1-CE1 3.94Å; V65-F125 HydrophobicContact CG1-CZ 4.04Å; V65-F125 HydrophobicContact CG2-CD1 4.27Å; V65-F125 HydrophobicContact CG2-CD2 4.26Å; V65-F125 HydrophobicContact CG2-CE1 4.01Å; V65-F125 HydrophobicContact CG2-CE2 4.11Å; V65-F125 HydrophobicContact CG2-CG 4.34Å; V65-F125 HydrophobicContact CG2-CZ 3.95Å
66T96.2Very high85.9Confident27 Ų2780.4 Ų80.417%0.16643%0.432CS..EExtended strand (participates in β ladder)trans-122.9155.9175.660.60000110.7A55 L56 T64 V79 H80A55-T66 CarbonylContact O-C 3.55Å; A55-T66 WeakPolarHBondContact O-CA 3.32Å; A55-T66 WeakPolarHBondContact O-CB 3.37Å; L56-T66 HydrophobicContact CD1-CG2 3.95Å; T64-T66 HydrophobicContact CG2-CG2 4.39Å; T66-V79 CarbonylContact O-C 3.54Å; T66-V79 WeakPolarHBondContact O-CA 3.07Å; T66-H80 PolarHBondContact N-O 2.86Å; T66-H80 PolarHBondContact O-N 3.15Å; T66-H80 WeakPolarHBondContact OG1-CB 3.36Å
67Q93.3Very high85.4Confident57 Ų5779.1 Ų79.127%0.26642%0.423SS..EExtended strand (participates in β ladder)trans-131.3136.3176.2166.6177.356.100111.3S54 A55 I57 L69 I78 V79S54-Q67 CarbonylContact C-O 3.44Å; S54-Q67 VanDerWaalsContact CA-O 3.24Å; S54-Q67 WeakPolarHBondContact CA-O 3.44Å; A55-Q67 PolarHBondContact N-O 3.48Å; A55-Q67 PolarHBondContact O-N 3.34Å; I57-Q67 HydrophobicContact CD1-CB 3.18Å; I57-Q67 HydrophobicContact CD1-CG 4.24Å; I57-Q67 HydrophobicContact CG1-CB 3.88Å; Q67-L69 PolarHBondContact O-N 3.34Å; Q67-I78 WeakPolarHBondContact CA-O 3.44Å; Q67-V79 HydrophobicContact CB-CG2 4.47Å
68D90.1Very high85.3Confident14 Ų1477.3 Ų77.38%0.07541%0.414CS..EExtended strand (participates in β ladder)trans-58.7127.2172.9-88.80.9000110.7S54 K75 I78 H80S54-D68 PolarHBondContact OG-OD1 2.87Å; S54-D68 VanDerWaalsContact OG-OD1 3.04Å; D68-K75 IonicContact OD2-NZ 3.56Å; D68-K75 PolarHBondContact OD2-NZ 3.21Å; D68-I78 HydrophobicContact CB-CB 4.49Å; D68-I78 PolarHBondContact N-O 3.2Å; D68-H80 IonicContact OD1-CD2 2.84Å; D68-H80 IonicContact OD1-NE2 2.82Å; D68-H80 PolarHBondContact OD1-NE2 3.05Å; D68-H80 IonicContact OD2-NE2 3.69Å
69L81.8Confident85.2Confident81 Ų8174.1 Ų74.142%0.42440%0.401SS..  trans-65.2140.8169.9-66.9-179000109.5L53 A55 Q67 V71L53-L69 HydrophobicContact CB-CD1 3.7Å; L53-L69 HydrophobicContact CB-CG 4.35Å; L53-L69 HydrophobicContact CD1-CD1 4.44Å; L53-L69 VanDerWaalsContact O-CB 3.32Å; L53-L69 WeakPolarHBondContact O-CB 3.33Å; L53-L69 VanDerWaalsContact O-CG 3.25Å; L53-L69 WeakPolarHBondContact O-CG 3.34Å; L53-L69 PolarHBondContact O-N 3.4Å; A55-L69 HydrophobicContact CB-CD2 3.9Å; Q67-L69 PolarHBondContact O-N 3.34Å; L69-V71 WeakPolarHBondContact O-CG2 3.37Å; L69-V71 PolarHBondContact O-N 2.99Å
70P71.1Confident85.2Confident83 Ų8368.9 Ų68.954%0.53938%0.379SS..  trans-62.3103.6175.123.2-30000109.7N72P70-N72 VanDerWaalsContact C-N 3.34Å
71V66.2Low85.2Confident117 Ų11765.9 Ų65.971%0.70936%0.363SS*.SBendtrans-81.4-20.2175.7-175.20000111L69L69-V71 WeakPolarHBondContact O-CG2 3.37Å; L69-V71 PolarHBondContact O-N 2.99Å
72N68.3Low85.3Confident120 Ų12061.1 Ų61.164%0.64234%0.341SS*.SBendtrans-158.4149.5175.8-16216.7000110.7P70 G74 K75P70-N72 VanDerWaalsContact C-N 3.34Å; N72-G74 PolarHBondContact O-N 2.98Å; N72-K75 PolarHBondContact O-N 3.46Å
73D65.3Low85.3Confident165 Ų16557.7 Ų57.788%0.88233%0.325SS*.THydrogen-bonded Turntrans-63.497174.8-68.5-41.4000109.4
74G69.1Low85.3Confident77 Ų7761.3 Ų61.379%0.79434%0.342SS*.THydrogen-bonded Turntrans134.6-10.4174.200000116.5N72N72-G74 PolarHBondContact O-N 2.98Å
75K70.9Confident85.1Confident100 Ų10061.9 Ų61.944%0.43535%0.345SS..SBendtrans-74131.6168.1-167.7-172.5176.6-158.50108.3D68 N72 H77D68-K75 IonicContact OD2-NZ 3.56Å; D68-K75 PolarHBondContact OD2-NZ 3.21Å; N72-K75 PolarHBondContact O-N 3.46Å; K75-H77 PolarHBondContact O-N 3Å
76P74.5Confident84.9Confident70 Ų7065.1 Ų65.146%0.45537%0.365SS..  trans-58.4138.7172.824.8-33.6000109.9I78 V96P76-I78 PolarHBondContact O-N 3.45Å; P76-V96 HydrophobicContact CB-CG1 3.84Å; P76-V96 HydrophobicContact CB-CG2 4.11Å
77H83.9Confident84.6Confident84 Ų8472.6 Ų72.639%0.38940%0.398SS..  trans-70.4102173.8-64.7-81.6000108.9K75K75-H77 PolarHBondContact O-N 3Å
78I91.8Very high84.6Confident37 Ų3776.4 Ų76.419%0.1943%0.425CS..EExtended strand (participates in β ladder)trans-79.5129.3177.5-54.9176.9000108.1Q67 D68 P76 H80 D94 A95Q67-I78 WeakPolarHBondContact CA-O 3.44Å; D68-I78 HydrophobicContact CB-CB 4.49Å; D68-I78 PolarHBondContact N-O 3.2Å; P76-I78 PolarHBondContact O-N 3.45Å; I78-H80 WeakPolarHBondContact CG2-CE1 3.46Å; I78-D94 HydrophobicContact CG2-CB 4.16Å; I78-A95 CarbonylContact C-O 3.54Å; I78-A95 WeakPolarHBondContact CA-O 3.44Å
79V94.8Very high84.7Confident0 Ų079.1 Ų79.10%044%0.436CS..EExtended strand (participates in β ladder)trans-105.4124.8171.3-174.20000107.4I57 V65 T66 Q67 F81 A95 M130I57-V79 HydrophobicContact CD1-CG1 4.25Å; V65-V79 HydrophobicContact CG1-CG1 3.43Å; V65-V79 VanDerWaalsContact CG1-CG1 3.43Å; T66-V79 CarbonylContact O-C 3.54Å; T66-V79 WeakPolarHBondContact O-CA 3.07Å; Q67-V79 HydrophobicContact CB-CG2 4.47Å; V79-F81 HydrophobicContact CB-CE2 3.97Å; V79-F81 HydrophobicContact CG1-CD2 4.19Å; V79-F81 HydrophobicContact CG1-CE2 3.51Å; V79-F81 HydrophobicContact CG1-CZ 3.73Å; V79-A95 PolarHBondContact N-O 2.8Å; V79-A95 PolarHBondContact O-N 3.27Å; V79-M130 HydrophobicContact CB-CE 4.42Å; V79-M130 HydrophobicContact CG1-CE 3.83Å; V79-M130 HydrophobicContact CG2-CE 4Å
80H95.5Very high85.2Confident34 Ų3478.9 Ų78.916%0.15744%0.438CS..EExtended strand (participates in β ladder)trans-103.6125180-55.5-77.5000109.1V65 T66 D68 I78 D94V65-H80 VanDerWaalsContact CA-O 3.31Å; V65-H80 WeakPolarHBondContact CA-O 3.44Å; T66-H80 PolarHBondContact N-O 2.86Å; T66-H80 PolarHBondContact O-N 3.15Å; T66-H80 WeakPolarHBondContact OG1-CB 3.36Å; D68-H80 IonicContact OD1-CD2 2.84Å; D68-H80 IonicContact OD1-NE2 2.82Å; D68-H80 PolarHBondContact OD1-NE2 3.05Å; D68-H80 IonicContact OD2-NE2 3.69Å; I78-H80 WeakPolarHBondContact CG2-CE1 3.46Å; H80-D94 IonicContact CE1-OD1 3.6Å; H80-D94 IonicContact CG-OD1 3.74Å; H80-D94 IonicContact ND1-OD1 2.65Å; H80-D94 PolarHBondContact ND1-OD1 2.85Å
81F96.2Very high86.2Confident1 Ų175.1 Ų75.10%0.00441%0.413CS..EExtended strand (participates in β ladder)trans-107.6126.9175.4-64.2-95.9000109L63 V65 V79 S92 W93 A95 L102 L122 F125 M130L63-F81 HydrophobicContact CD1-CD1 4.36Å; V65-F81 HydrophobicContact CG1-CD1 4.21Å; V65-F81 HydrophobicContact CG1-CE1 4Å; V65-F81 HydrophobicContact CG1-CZ 4.31Å; V65-F81 HydrophobicContact CG2-CD1 3.75Å; V65-F81 HydrophobicContact CG2-CE1 3.94Å; V79-F81 HydrophobicContact CB-CE2 3.97Å; V79-F81 HydrophobicContact CG1-CD2 4.19Å; V79-F81 HydrophobicContact CG1-CE2 3.51Å; V79-F81 HydrophobicContact CG1-CZ 3.73Å; F81-S92 CarbonylContact O-C 3.44Å; F81-S92 VanDerWaalsContact O-CA 3.25Å; F81-S92 WeakPolarHBondContact O-CA 3.48Å; F81-W93 HydrophobicContact CB-CB 4.22Å; F81-W93 PolarHBondContact N-O 2.9Å; F81-W93 PolarHBondContact O-N 2.79Å; F81-A95 HydrophobicContact CD2-CB 4.35Å; F81-A95 HydrophobicContact CE2-CB 3.83Å; F81-L102 HydrophobicContact CE2-CD2 4.18Å; F81-L102 HydrophobicContact CZ-CD2 3.88Å; F81-L122 HydrophobicContact CB-CD1 4.09Å; F81-L122 HydrophobicContact CD1-CB 4.24Å; F81-L122 HydrophobicContact CD1-CD1 3.95Å; F81-L122 HydrophobicContact CD1-CG 3.8Å; F81-L122 HydrophobicContact CD2-CD1 3.67Å; F81-L122 HydrophobicContact CD2-CG 4.27Å; F81-L122 HydrophobicContact CE1-CD1 4.29Å; F81-L122 HydrophobicContact CE1-CG 3.84Å; F81-L122 HydrophobicContact CE2-CD1 4.05Å; F81-L122 HydrophobicContact CE2-CG 4.32Å; F81-L122 HydrophobicContact CG-CD1 3.62Å; F81-L122 HydrophobicContact CG-CG 4.02Å; F81-L122 HydrophobicContact CZ-CD1 4.35Å; F81-L122 HydrophobicContact CZ-CG 4.11Å; F81-F125 AromaticContact CE1-CD1 3.49Å; F81-F125 HydrophobicContact CE1-CD1 3.49Å; F81-F125 VanDerWaalsContact CE1-CD1 3.49Å; F81-F125 AromaticContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CG 4.32Å; F81-F125 HydrophobicContact CZ-CD1 4.14Å; F81-F125 HydrophobicContact CZ-CE1 4.26Å; F81-M130 HydrophobicContact CZ-CE 4.34Å; F81-M130 HydrophobicContact CZ-SD 4.25Å
82Q95.2Very high87.4Confident83 Ų8372.7 Ų72.739%0.38840%0.402SS..EExtended strand (participates in β ladder)trans-124.5113.6177.7-69.8-177.3-1.700108.7L63 T64 V90L63-Q82 CarbonylContact C-O 3.56Å; L63-Q82 WeakPolarHBondContact CA-O 3.41Å; T64-Q82 PolarHBondContact N-O 2.93Å; T64-Q82 PolarHBondContact O-N 3.37Å; Q82-V90 HydrophobicContact CB-CG1 3.75Å; Q82-V90 HydrophobicContact CG-CG1 4.23Å
83Y95.9Very high88.6Confident28 Ų2867.3 Ų67.311%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-105.9121.1178.1-178-98.3000110.7K62 V85 V90 S91 E117 A121K62-Y83 HydrophobicContact CB-CD2 4.13Å; K62-Y83 HydrophobicContact CB-CE2 3.75Å; K62-Y83 HydrophobicContact CD-CE2 4.04Å; K62-Y83 WeakPolarHBondContact CD-OH 3.36Å; K62-Y83 CarbonylContact O-C 3.53Å; K62-Y83 WeakPolarHBondContact O-CA 3.08Å; Y83-V85 HydrophobicContact CD1-CG2 4.06Å; Y83-V85 PolarHBondContact O-N 2.9Å; Y83-V90 CarbonylContact O-C 3.51Å; Y83-V90 VanDerWaalsContact O-CA 3.28Å; Y83-V90 WeakPolarHBondContact O-CA 3.5Å; Y83-S91 PolarHBondContact N-O 2.99Å; Y83-S91 PolarHBondContact O-N 3.18Å; Y83-E117 HydrophobicContact CE1-CB 3.7Å; Y83-A121 HydrophobicContact CD2-CB 3.8Å; Y83-A121 HydrophobicContact CE2-CB 3.88Å
84E96.1Very high90Very high81 Ų8163 Ų6338%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-72.9105.4175.2-167.8177.4149.900110.5K62 T86 E87K62-E84 HydrophobicContact CB-CB 4.42Å; K62-E84 PolarHBondContact O-N 2.97Å; E84-T86 VanDerWaalsContact CG-O 3.26Å; E84-T86 WeakPolarHBondContact CG-O 3.49Å; E84-E87 WeakPolarHBondContact OE1-CA 3.35Å
85V93.5Very high91.3Very high40 Ų4059.4 Ų59.424%0.24231%0.312CS..EExtended strand (participates in β ladder)trans-79.7-42.1177-172.90000109.7Y83 K89 D113Y83-V85 HydrophobicContact CD1-CG2 4.06Å; Y83-V85 PolarHBondContact O-N 2.9Å; V85-K89 HydrophobicContact CB-CB 4.32Å; V85-K89 HydrophobicContact CB-CD 4.43Å; V85-K89 HydrophobicContact CB-CG 4.19Å; V85-K89 WeakPolarHBondContact CB-O 3.48Å; V85-K89 HydrophobicContact CG1-CD 4.44Å; V85-K89 HydrophobicContact CG2-CG 4.46Å; V85-K89 PolarHBondContact N-O 2.93Å; V85-D113 WeakPolarHBondContact CG2-O 3.42Å
86T92.7Very high92.4Very high68 Ų6856.9 Ų56.942%0.41731%0.305SS..EExtended strand (participates in β ladder)trans-147.2169.7172.567.80000108.1E84 V88 K89E84-T86 VanDerWaalsContact CG-O 3.26Å; E84-T86 WeakPolarHBondContact CG-O 3.49Å; T86-V88 PolarHBondContact O-N 3.31Å; T86-V88 PolarHBondContact OG1-N 3.09Å; T86-K89 PolarHBondContact N-O 3.47Å; T86-K89 VanDerWaalsContact N-O 3.14Å; T86-K89 PolarHBondContact O-N 3.21Å; T86-K89 WeakPolarHBondContact OG1-CB 3.48Å; T86-K89 PolarHBondContact OG1-N 2.86Å; T86-K89 VanDerWaalsContact OG1-N 3.16Å
87E91.3Very high93.2Very high184 Ų18456.8 Ų56.886%0.8630%0.3SS*.THydrogen-bonded Turntrans-51.2-22.6178.3-61178.9-175.800114.8E84E84-E87 WeakPolarHBondContact OE1-CA 3.35Å
88V91.3Very high93.5Very high138 Ų13855.6 Ų55.684%0.83630%0.302SS*.THydrogen-bonded Turntrans-118.2-4.9-178.8-60.60000114T86T86-V88 PolarHBondContact O-N 3.31Å; T86-V88 PolarHBondContact OG1-N 3.09Å
89K92.9Very high93.3Very high71 Ų7159.5 Ų59.531%0.30933%0.332SS..EExtended strand (participates in β ladder)trans-125.4125.5-173.4-174.2174.8-179.6153.10110.8V85 T86 D113V85-K89 HydrophobicContact CB-CB 4.32Å; V85-K89 HydrophobicContact CB-CD 4.43Å; V85-K89 HydrophobicContact CB-CG 4.19Å; V85-K89 WeakPolarHBondContact CB-O 3.48Å; V85-K89 HydrophobicContact CG1-CD 4.44Å; V85-K89 HydrophobicContact CG2-CG 4.46Å; V85-K89 PolarHBondContact N-O 2.93Å; T86-K89 PolarHBondContact N-O 3.47Å; T86-K89 VanDerWaalsContact N-O 3.14Å; T86-K89 PolarHBondContact O-N 3.21Å; T86-K89 WeakPolarHBondContact OG1-CB 3.48Å; T86-K89 PolarHBondContact OG1-N 2.86Å; T86-K89 VanDerWaalsContact OG1-N 3.16Å; K89-D113 VanDerWaalsContact NZ-CB 3.33Å; K89-D113 VanDerWaalsContact NZ-CG 3.3Å; K89-D113 IonicContact NZ-OD2 3.27Å; K89-D113 PolarHBondContact NZ-OD2 3.21Å
90V92.3Very high93.1Very high75 Ų7564.7 Ų64.746%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-120.3137.7178.21790000109.7Q82 Y83Q82-V90 HydrophobicContact CB-CG1 3.75Å; Q82-V90 HydrophobicContact CG-CG1 4.23Å; Y83-V90 CarbonylContact O-C 3.51Å; Y83-V90 VanDerWaalsContact O-CA 3.28Å; Y83-V90 WeakPolarHBondContact O-CA 3.5Å
91S92.2Very high93Very high4 Ų463.3 Ų63.33%0.02835%0.351CS..EExtended strand (participates in β ladder)trans-96.5125.6165.9-177.60000108.8Y83 W93Y83-S91 PolarHBondContact N-O 2.99Å; Y83-S91 PolarHBondContact O-N 3.18Å; S91-W93 PolarHBondContact OG-NE1 3.26Å
92S92Very high93Very high66 Ų6663.3 Ų63.346%0.46235%0.351SS..EExtended strand (participates in β ladder)trans-114.5139-176.6-55.50000111.8F81F81-S92 CarbonylContact O-C 3.44Å; F81-S92 VanDerWaalsContact O-CA 3.25Å; F81-S92 WeakPolarHBondContact O-CA 3.48Å
93W93.3Very high93.1Very high8 Ų860.5 Ų60.53%0.0334%0.337CS..EExtended strand (participates in β ladder)trans-135.7134.8176.5-52.990.9000110.4F81 S91 V104 I106 L111 S115 L122F81-W93 HydrophobicContact CB-CB 4.22Å; F81-W93 PolarHBondContact N-O 2.9Å; F81-W93 PolarHBondContact O-N 2.79Å; S91-W93 PolarHBondContact OG-NE1 3.26Å; W93-V104 HydrophobicContact CB-CG1 4.16Å; W93-V104 HydrophobicContact CE3-CG1 4.13Å; W93-I106 HydrophobicContact CE3-CD1 4.35Å; W93-I106 HydrophobicContact CZ3-CD1 3.67Å; W93-L111 HydrophobicContact CH2-CD2 3.92Å; W93-L111 HydrophobicContact CZ3-CD2 4.34Å; W93-S115 WeakPolarHBondContact CZ2-O 3.47Å; W93-L122 HydrophobicContact CB-CD1 4.12Å; W93-L122 HydrophobicContact CG-CD1 4.44Å
94D94.1Very high93.1Very high73 Ų7359.2 Ų59.239%0.3933%0.332SS..EExtended strand (participates in β ladder)trans-103.1138174.2-68.6-18.9000109.4I78 H80 E105I78-D94 HydrophobicContact CG2-CB 4.16Å; H80-D94 IonicContact CE1-OD1 3.6Å; H80-D94 IonicContact CG-OD1 3.74Å; H80-D94 IonicContact ND1-OD1 2.65Å; H80-D94 PolarHBondContact ND1-OD1 2.85Å; D94-E105 PolarHBondContact O-N 2.86Å
95A96.1Very high93.1Very high2 Ų261 Ų612%0.01734%0.341CS..EExtended strand (participates in β ladder)trans-139158.8177.700000112.5I78 V79 F81 L102 F103 V104I78-A95 CarbonylContact C-O 3.54Å; I78-A95 WeakPolarHBondContact CA-O 3.44Å; V79-A95 PolarHBondContact N-O 2.8Å; V79-A95 PolarHBondContact O-N 3.27Å; F81-A95 HydrophobicContact CD2-CB 4.35Å; F81-A95 HydrophobicContact CE2-CB 3.83Å; A95-L102 HydrophobicContact CB-CD1 3.69Å; A95-L102 HydrophobicContact CB-CD2 4.43Å; A95-L102 HydrophobicContact CB-CG 3.92Å; A95-F103 CarbonylContact C-O 3.58Å; A95-F103 WeakPolarHBondContact CA-O 3.35Å; A95-F103 WeakPolarHBondContact CB-O 3.3Å; A95-V104 HydrophobicContact CB-CB 4.44Å; A95-V104 HydrophobicContact CB-CG2 3.99Å
96V94.3Very high93.1Very high48 Ų4859.2 Ų59.229%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-116.9126.9171.2178.10000108.8P76 F103P76-V96 HydrophobicContact CB-CG1 3.84Å; P76-V96 HydrophobicContact CB-CG2 4.11Å; V96-F103 PolarHBondContact N-O 3.16Å; V96-F103 PolarHBondContact O-N 2.78Å
97L92.3Very high92.9Very high67 Ų6759.1 Ų59.135%0.35133%0.33SS..EExtended strand (participates in β ladder)trans-84.8126.7171.2-178.764.6000109.5L102 V132L97-L102 HydrophobicContact CB-CD1 4.33Å; L97-L102 HydrophobicContact CD1-CD1 4.46Å; L97-V132 HydrophobicContact CD1-CG1 3.58Å
98S89.4Confident92.8Very high60 Ų6055 Ų5542%0.4231%0.314SS..EExtended strand (participates in β ladder)trans-138.7117.2174.4-172.80000110.1Q100 S101S98-Q100 PolarHBondContact O-N 3.08Å; S98-Q100 VanDerWaalsContact O-N 3.16Å; S98-S101 PolarHBondContact N-O 3.31Å; S98-S101 WeakPolarHBondContact O-CA 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 2.81Å; S98-S101 VanDerWaalsContact O-O 3.07Å
99S87.3Confident92.5Very high119 Ų11950.4 Ų50.483%0.83229%0.294SS*.THydrogen-bonded Turntrans52.5-117.7-174.8-56.60000111.3
100Q91.2Very high92.2Very high108 Ų10854.6 Ų54.651%0.50532%0.319SS..THydrogen-bonded Turntrans-104.732.5176.3-64176.1-4200111.4S98 N133 Y134S98-Q100 PolarHBondContact O-N 3.08Å; S98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-N133 HydrophobicContact CB-CB 4.09Å; Q100-N133 PolarHBondContact O-N 2.61Å; Q100-N133 PolarHBondContact OE1-ND2 3.37Å; Q100-Y134 PolarHBondContact O-N 2.87Å
101S94.2Very high92Very high6 Ų653.1 Ų53.14%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-136.9132.2-176.1-60.10000111.4S98 Y134S98-S101 PolarHBondContact N-O 3.31Å; S98-S101 WeakPolarHBondContact O-CA 3.29Å; S98-S101 WeakPolarHBondContact O-CB 3.29Å; S98-S101 PolarHBondContact O-N 2.81Å; S98-S101 VanDerWaalsContact O-O 3.07Å; S101-Y134 VanDerWaalsContact CA-O 3.29Å; S101-Y134 WeakPolarHBondContact CA-O 3.5Å
102L96.2Very high91.6Very high0 Ų055.3 Ų55.30%033%0.327CS..EExtended strand (participates in β ladder)trans-104125.1175.1-17268.4000109.2F81 A95 L97 V104 L122 A126 M130 V132 Y134 V135 F136F81-L102 HydrophobicContact CE2-CD2 4.18Å; F81-L102 HydrophobicContact CZ-CD2 3.88Å; A95-L102 HydrophobicContact CB-CD1 3.69Å; A95-L102 HydrophobicContact CB-CD2 4.43Å; A95-L102 HydrophobicContact CB-CG 3.92Å; L97-L102 HydrophobicContact CB-CD1 4.33Å; L97-L102 HydrophobicContact CD1-CD1 4.46Å; L102-V104 HydrophobicContact CD2-CG2 4.31Å; L102-V104 HydrophobicContact CG-CG2 4.32Å; L102-L122 HydrophobicContact CD2-CD2 3.92Å; L102-A126 HydrophobicContact CD2-CB 4.04Å; L102-M130 HydrophobicContact CD1-SD 4.22Å; L102-M130 HydrophobicContact CD2-SD 4.25Å; L102-V132 HydrophobicContact CB-CG2 4.24Å; L102-Y134 PolarHBondContact N-O 2.96Å; L102-V135 HydrophobicContact CB-CG2 4.42Å; L102-V135 CarbonylContact O-C 3.57Å; L102-V135 WeakPolarHBondContact O-CA 3.28Å; L102-F136 PolarHBondContact O-N 2.81Å
103F96.5Very high91.2Very high25 Ų2557.6 Ų57.611%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-107.5104.3-179.8-67.1-95.1000110A95 V96 F136 C167 V168 F176A95-F103 CarbonylContact C-O 3.58Å; A95-F103 WeakPolarHBondContact CA-O 3.35Å; A95-F103 WeakPolarHBondContact CB-O 3.3Å; V96-F103 PolarHBondContact N-O 3.16Å; V96-F103 PolarHBondContact O-N 2.78Å; F103-F136 CarbonylContact C-O 3.58Å; F103-F136 WeakPolarHBondContact CA-O 3.45Å; F103-F136 HydrophobicContact CD1-CB 3.54Å; F103-F136 HydrophobicContact CD1-CD2 4.12Å; F103-F136 AromaticContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CE1-CB 3.76Å; F103-F136 HydrophobicContact CE1-CD1 4.33Å; F103-F136 AromaticContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CE2 4.27Å; F103-F136 AromaticContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE2-CD2 4.23Å; F103-F136 HydrophobicContact CG-CB 4.23Å; F103-F136 AromaticContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CE2 4.03Å; F103-F136 HydrophobicContact CZ-CG 4.17Å; F103-C167 VanDerWaalsContact CZ-O 3.25Å; F103-C167 WeakPolarHBondContact CZ-O 3.25Å; F103-V168 HydrophobicContact CE1-CG2 4.32Å; F103-F176 HydrophobicContact CD1-CE1 4.33Å
104V97Very high91Very high0 Ų057.8 Ų57.80%034%0.339CS..EExtended strand (participates in β ladder)trans-93.6123.1-179-173.60000109.8W93 A95 L102 L122 V135 F136 I137 C138W93-V104 HydrophobicContact CB-CG1 4.16Å; W93-V104 HydrophobicContact CE3-CG1 4.13Å; A95-V104 HydrophobicContact CB-CB 4.44Å; A95-V104 HydrophobicContact CB-CG2 3.99Å; L102-V104 HydrophobicContact CD2-CG2 4.31Å; L102-V104 HydrophobicContact CG-CG2 4.32Å; V104-L122 HydrophobicContact CG1-CD1 4.24Å; V104-L122 HydrophobicContact CG2-CD1 4.01Å; V104-L122 HydrophobicContact CG2-CD2 3.92Å; V104-V135 HydrophobicContact CG2-CG1 3.99Å; V104-F136 PolarHBondContact N-O 3.5Å; V104-I137 HydrophobicContact CB-CG2 4.33Å; V104-I137 CarbonylContact O-C 3.6Å; V104-I137 VanDerWaalsContact O-CA 3.32Å; V104-I137 WeakPolarHBondContact O-CA 3.36Å; V104-C138 PolarHBondContact O-N 3.14Å
105E94.5Very high90.8Very high120 Ų12055.3 Ų55.356%0.56133%0.327SS*.EExtended strand (participates in β ladder)trans-83.3128.7175.2-175.3168.9-165.200110.4D94 P107D94-E105 PolarHBondContact O-N 2.86Å; E105-P107 WeakPolarHBondContact O-CD 3.19Å
106I94.2Very high90.6Very high2 Ų260.5 Ų60.51%0.0135%0.349CS..PPolyproline II helixtrans-85.5118.5174.7-50.4-55.9000108.8W93 L111 I137 C138 F139 R143 L149 F153W93-I106 HydrophobicContact CE3-CD1 4.35Å; W93-I106 HydrophobicContact CZ3-CD1 3.67Å; I106-L111 HydrophobicContact CG2-CD2 3.67Å; I106-I137 HydrophobicContact CD1-CB 3.96Å; I106-I137 HydrophobicContact CD1-CG2 3.91Å; I106-I137 HydrophobicContact CG1-CB 4.15Å; I106-C138 PolarHBondContact N-O 2.77Å; I106-F139 HydrophobicContact CB-CB 4.1Å; I106-F139 HydrophobicContact CG1-CB 4.5Å; I106-F139 HydrophobicContact CG1-CD1 4.25Å; I106-R143 PolarHBondContact O-NH1 3.31Å; I106-L149 HydrophobicContact CG2-CD2 4.29Å; I106-F153 HydrophobicContact CD1-CE1 4.18Å; I106-F153 HydrophobicContact CD1-CE2 4.14Å; I106-F153 HydrophobicContact CD1-CZ 3.52Å; I106-F153 HydrophobicContact CG1-CE2 4.09Å; I106-F153 HydrophobicContact CG1-CZ 3.99Å; I106-F153 HydrophobicContact CG2-CE2 4.49Å; I106-F153 HydrophobicContact CG2-CZ 4.44Å
107P89.1Confident90.6Very high65 Ų6562.2 Ų62.242%0.42235%0.354SS..PPolyproline II helixtrans-62.7150.2-177.326-34.4000111.9E105 R143E105-P107 WeakPolarHBondContact O-CD 3.19Å; P107-R143 VanDerWaalsContact C-NH1 3.25Å; P107-R143 PolarHBondContact O-NH1 2.98Å; P107-R143 PolarHBondContact O-NH2 3.02Å; P107-R143 VanDerWaalsContact O-NH2 3.09Å
108D87.7Confident90.7Very high98 Ų9859.1 Ų59.152%0.52434%0.338SS..SBendtrans-64139.4175.8-69.8-44.1000112.3R140 R143D108-R140 VanDerWaalsContact CG-NH2 3.26Å; D108-R140 IonicContact OD1-CZ 2.86Å; D108-R140 IonicContact OD1-NE 2.78Å; D108-R140 IonicContact OD1-NH2 3.61Å; D108-R140 PolarHBondContact OD1-NH2 2.97Å; D108-R140 IonicContact OD2-CZ 3.89Å; D108-R140 IonicContact OD2-NE 3.72Å; D108-R140 IonicContact OD2-NH2 3.35Å; D108-R140 PolarHBondContact OD2-NH2 3.4Å; D108-R143 IonicContact OD1-CZ 2.61Å; D108-R143 IonicContact OD1-NH1 3.72Å; D108-R143 PolarHBondContact OD1-NH1 3.36Å
109G86.8Confident91Very high41 Ų4156.5 Ų56.542%0.42332%0.319SS..SBendtrans94.6-170.3-175.900000113.3R143G109-R143 PolarHBondContact O-NH2 2.96Å
110L86Confident91.3Very high159 Ų15954.9 Ų54.983%0.83230%0.301SS*.SBendtrans-67142.2-179-61.3176.3000110.6A112L110-A112 PolarHBondContact O-N 2.84Å
111L87.3Confident91.6Very high45 Ų4550.5 Ų50.524%0.23628%0.283CS..PPolyproline II helixtrans-58132.4170.7-60.7-178.3000109.5W93 I106 L149 F153W93-L111 HydrophobicContact CH2-CD2 3.92Å; W93-L111 HydrophobicContact CZ3-CD2 4.34Å; I106-L111 HydrophobicContact CG2-CD2 3.67Å; L111-L149 HydrophobicContact CD1-CD2 4.26Å; L111-L149 HydrophobicContact CD2-CD2 4.23Å; L111-L149 HydrophobicContact CG-CD2 4.16Å; L111-F153 HydrophobicContact CD1-CZ 4.27Å
112A83.9Confident91.7Very high50 Ų5050.2 Ų50.241%0.41328%0.281SS..PPolyproline II helixtrans-66.3153.4-179.600000111.5L110 G114 S115L110-A112 PolarHBondContact O-N 2.84Å; A112-G114 PolarHBondContact O-N 2.78Å; A112-S115 WeakPolarHBondContact O-CB 3.45Å; A112-S115 PolarHBondContact O-N 2.82Å; A112-S115 PolarHBondContact O-OG 3.15Å
113D84.6Confident91.7Very high114 Ų11450.8 Ų50.861%0.6128%0.284SS*.THydrogen-bonded Turntrans-56.5140.8171.4-48.4-43000110.4V85 K89 S115V85-D113 WeakPolarHBondContact CG2-O 3.42Å; K89-D113 VanDerWaalsContact NZ-CB 3.33Å; K89-D113 VanDerWaalsContact NZ-CG 3.3Å; K89-D113 IonicContact NZ-OD2 3.27Å; K89-D113 PolarHBondContact NZ-OD2 3.21Å; D113-S115 VanDerWaalsContact C-N 3.26Å
114G87.9Confident91.7Very high12 Ų1255 Ų5512%0.12430%0.304CS..THydrogen-bonded Turntrans80.32.8-173.500000114.2A112 K116 E117 G118A112-G114 PolarHBondContact O-N 2.78Å; G114-K116 PolarHBondContact O-N 2.98Å; G114-E117 WeakPolarHBondContact CA-OE2 3.26Å; G114-E117 PolarHBondContact O-N 3.3Å; G114-G118 PolarHBondContact O-N 2.84Å
115S89.6Confident91.6Very high21 Ų2155.4 Ų55.415%0.14731%0.306CS..Hα-helixtrans-58-34.9177620000112.7W93 A112 D113 L119W93-S115 WeakPolarHBondContact CZ2-O 3.47Å; A112-S115 WeakPolarHBondContact O-CB 3.45Å; A112-S115 PolarHBondContact O-N 2.82Å; A112-S115 PolarHBondContact O-OG 3.15Å; D113-S115 VanDerWaalsContact C-N 3.26Å; S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 PolarHBondContact O-N 3.27Å
116K92Very high91.7Very high111 Ų11149.7 Ų49.748%0.48328%0.279SS..Hα-helixtrans-68.2-53.1-179.9-179.8-169.5171.1-165.70110.4G114 G118 L119 L120G114-K116 PolarHBondContact O-N 2.98Å; K116-G118 VanDerWaalsContact C-N 3.32Å; K116-G118 PolarHBondContact O-N 2.82Å; K116-L119 PolarHBondContact O-N 2.92Å; K116-L120 HydrophobicContact CG-CD1 4.42Å; K116-L120 WeakPolarHBondContact O-CG 3.07Å; K116-L120 PolarHBondContact O-N 3.42Å
117E94.3Very high91.7Very high84 Ų8453.4 Ų53.439%0.39330%0.296SS..Hα-helixtrans-64-40.4-179.5-65.167.2-147.700110.7Y83 G114 L120 A121Y83-E117 HydrophobicContact CE1-CB 3.7Å; G114-E117 WeakPolarHBondContact CA-OE2 3.26Å; G114-E117 PolarHBondContact O-N 3.3Å; E117-L120 PolarHBondContact O-N 2.84Å; E117-A121 PolarHBondContact O-N 2.83Å
118G94.7Very high91.9Very high1 Ų154.7 Ų54.71%0.0130%0.297CS..Hα-helixtrans-64.4-37.9174.200000113.4G114 K116 L122G114-G118 PolarHBondContact O-N 2.84Å; K116-G118 VanDerWaalsContact C-N 3.32Å; K116-G118 PolarHBondContact O-N 2.82Å; G118-L122 WeakPolarHBondContact O-CB 3.49Å; G118-L122 PolarHBondContact O-N 3.41Å
119L95.1Very high92.2Very high5 Ų555 Ų553%0.02629%0.293CS..Hα-helixtrans-68.6-39.8174.6-178.565.2000112S115 K116 L122 L123 F153 L156 F158S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 PolarHBondContact O-N 3.27Å; K116-L119 PolarHBondContact O-N 2.92Å; L119-L122 WeakPolarHBondContact O-CB 3.28Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-L123 WeakPolarHBondContact O-CG 3.41Å; L119-L123 PolarHBondContact O-N 2.85Å; L119-F153 HydrophobicContact CD2-CD1 4.17Å; L119-F153 HydrophobicContact CD2-CE1 3.73Å; L119-L156 HydrophobicContact CD2-CD1 3.82Å; L119-F158 HydrophobicContact CD2-CE2 4.28Å
120L95.5Very high92.5Very high86 Ų8655.1 Ų55.145%0.4528%0.283SS..Hα-helixtrans-62.8-44.9175.6-69.3174.3000111.4K116 E117 L122 L123 E124K116-L120 HydrophobicContact CG-CD1 4.42Å; K116-L120 WeakPolarHBondContact O-CG 3.07Å; K116-L120 PolarHBondContact O-N 3.42Å; E117-L120 PolarHBondContact O-N 2.84Å; L120-L122 VanDerWaalsContact C-N 3.28Å; L120-L122 PolarHBondContact O-N 2.94Å; L120-L123 PolarHBondContact O-N 2.87Å; L120-E124 PolarHBondContact O-N 3.08Å
121A96.1Very high92.9Very high15 Ų1553.7 Ų53.712%0.12427%0.27CS..Hα-helixtrans-61.5-37.1174.600000112.2L63 Y83 E117 F125L63-A121 HydrophobicContact CD2-CB 4.42Å; Y83-A121 HydrophobicContact CD2-CB 3.8Å; Y83-A121 HydrophobicContact CE2-CB 3.88Å; E117-A121 PolarHBondContact O-N 2.83Å; A121-F125 WeakPolarHBondContact O-CB 3.17Å; A121-F125 PolarHBondContact O-N 2.93Å
122L96.7Very high93.2Very high0 Ų051.7 Ų51.70%026%0.26CS..Hα-helixtrans-63.3-46173.3-178.2159.6000111.6F81 W93 L102 V104 G118 L119 L120 F125 A126 V135F81-L122 HydrophobicContact CB-CD1 4.09Å; F81-L122 HydrophobicContact CD1-CB 4.24Å; F81-L122 HydrophobicContact CD1-CD1 3.95Å; F81-L122 HydrophobicContact CD1-CG 3.8Å; F81-L122 HydrophobicContact CD2-CD1 3.67Å; F81-L122 HydrophobicContact CD2-CG 4.27Å; F81-L122 HydrophobicContact CE1-CD1 4.29Å; F81-L122 HydrophobicContact CE1-CG 3.84Å; F81-L122 HydrophobicContact CE2-CD1 4.05Å; F81-L122 HydrophobicContact CE2-CG 4.32Å; F81-L122 HydrophobicContact CG-CD1 3.62Å; F81-L122 HydrophobicContact CG-CG 4.02Å; F81-L122 HydrophobicContact CZ-CD1 4.35Å; F81-L122 HydrophobicContact CZ-CG 4.11Å; W93-L122 HydrophobicContact CB-CD1 4.12Å; W93-L122 HydrophobicContact CG-CD1 4.44Å; L102-L122 HydrophobicContact CD2-CD2 3.92Å; V104-L122 HydrophobicContact CG1-CD1 4.24Å; V104-L122 HydrophobicContact CG2-CD1 4.01Å; V104-L122 HydrophobicContact CG2-CD2 3.92Å; G118-L122 WeakPolarHBondContact O-CB 3.49Å; G118-L122 PolarHBondContact O-N 3.41Å; L119-L122 WeakPolarHBondContact O-CB 3.28Å; L119-L122 PolarHBondContact O-N 3.15Å; L120-L122 VanDerWaalsContact C-N 3.28Å; L120-L122 PolarHBondContact O-N 2.94Å; L122-F125 PolarHBondContact O-N 2.93Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.16Å; L122-V135 HydrophobicContact CD2-CG1 4.36Å
123L96.8Very high93.7Very high13 Ų1350.9 Ų50.97%0.06825%0.249CC..Hα-helixtrans-61.7-46.6179-71.6174.9000111.3L119 L120 F125 A126 E127 V135 F158 Y179L119-L123 WeakPolarHBondContact O-CG 3.41Å; L119-L123 PolarHBondContact O-N 2.85Å; L120-L123 PolarHBondContact O-N 2.87Å; L123-F125 PolarHBondContact O-N 2.86Å; L123-A126 WeakPolarHBondContact O-CB 3.39Å; L123-A126 PolarHBondContact O-N 3.31Å; L123-E127 PolarHBondContact O-N 3.37Å; L123-V135 HydrophobicContact CD2-CB 3.81Å; L123-V135 HydrophobicContact CD2-CG1 3.86Å; L123-V135 HydrophobicContact CD2-CG2 3.81Å; L123-F158 HydrophobicContact CD1-CE2 4.38Å; L123-F158 HydrophobicContact CD2-CZ 4.19Å; L123-Y179 HydrophobicContact CD2-CD1 4.15Å; L123-Y179 HydrophobicContact CD2-CG 4.39Å
124E95.4Very high94.2Very high112 Ų11249.7 Ų49.752%0.52324%0.237SC..Hα-helixtrans-57.9-46.8175.2-178.7177.9-172.200111.2L120 A126 E127 E128L120-E124 PolarHBondContact O-N 3.08Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 3.14Å; E124-E127 PolarHBondContact O-N 2.81Å; E124-E128 HydrophobicContact CG-CG 4.34Å; E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 WeakPolarHBondContact O-CG 3.11Å; E124-E128 PolarHBondContact O-N 3.31Å
125F95.8Very high94.7Very high9 Ų949.1 Ų49.14%0.03923%0.231CC..Hα-helixtrans-62.6-40.7176.2177.2-92000112.8I57 Y58 L63 V65 F81 A121 L122 L123 E127 K129 M130I57-F125 HydrophobicContact CG2-CZ 4.42Å; Y58-F125 AromaticContact CD1-CD2 3.57Å; Y58-F125 HydrophobicContact CD1-CD2 3.57Å; Y58-F125 AromaticContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD1-CE2 3.55Å; Y58-F125 HydrophobicContact CD2-CD2 4.47Å; Y58-F125 AromaticContact CD2-CE2 4Å; Y58-F125 HydrophobicContact CD2-CE2 4Å; Y58-F125 AromaticContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CD2 3.91Å; Y58-F125 HydrophobicContact CE1-CE2 4.28Å; Y58-F125 AromaticContact CG-CD2 3.87Å; Y58-F125 HydrophobicContact CG-CD2 3.87Å; Y58-F125 AromaticContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CE2 3.36Å; Y58-F125 HydrophobicContact CG-CZ 4.35Å; L63-F125 HydrophobicContact CD2-CB 3.74Å; L63-F125 HydrophobicContact CD2-CD2 4.28Å; L63-F125 HydrophobicContact CD2-CG 4.11Å; V65-F125 HydrophobicContact CB-CE1 4.38Å; V65-F125 HydrophobicContact CB-CZ 4.15Å; V65-F125 HydrophobicContact CG1-CE1 3.94Å; V65-F125 HydrophobicContact CG1-CZ 4.04Å; V65-F125 HydrophobicContact CG2-CD1 4.27Å; V65-F125 HydrophobicContact CG2-CD2 4.26Å; V65-F125 HydrophobicContact CG2-CE1 4.01Å; V65-F125 HydrophobicContact CG2-CE2 4.11Å; V65-F125 HydrophobicContact CG2-CG 4.34Å; V65-F125 HydrophobicContact CG2-CZ 3.95Å; F81-F125 AromaticContact CE1-CD1 3.49Å; F81-F125 HydrophobicContact CE1-CD1 3.49Å; F81-F125 VanDerWaalsContact CE1-CD1 3.49Å; F81-F125 AromaticContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CE1 3.85Å; F81-F125 HydrophobicContact CE1-CG 4.32Å; F81-F125 HydrophobicContact CZ-CD1 4.14Å; F81-F125 HydrophobicContact CZ-CE1 4.26Å; A121-F125 WeakPolarHBondContact O-CB 3.17Å; A121-F125 PolarHBondContact O-N 2.93Å; L122-F125 PolarHBondContact O-N 2.93Å; L123-F125 PolarHBondContact O-N 2.86Å; F125-E127 VanDerWaalsContact C-N 3.32Å; F125-E127 PolarHBondContact O-N 2.86Å; F125-K129 HydrophobicContact CD2-CB 3.7Å; F125-K129 HydrophobicContact CD2-CG 3.45Å; F125-K129 VanDerWaalsContact CD2-CG 3.45Å; F125-K129 HydrophobicContact CE2-CB 3.51Å; F125-K129 HydrophobicContact CE2-CG 3.63Å; F125-K129 HydrophobicContact CG-CB 4.31Å; F125-K129 HydrophobicContact CG-CG 4.27Å; F125-K129 HydrophobicContact CZ-CB 4.06Å; F125-K129 WeakPolarHBondContact O-CA 3.46Å; F125-K129 WeakPolarHBondContact O-CB 3.31Å; F125-K129 PolarHBondContact O-N 3.02Å; F125-M130 HydrophobicContact CD1-CG 3.92Å; F125-M130 HydrophobicContact CD1-SD 4.03Å; F125-M130 HydrophobicContact CE1-CE 3.76Å; F125-M130 HydrophobicContact CE1-CG 3.43Å; F125-M130 VanDerWaalsContact CE1-CG 3.43Å; F125-M130 HydrophobicContact CE1-SD 3.63Å; F125-M130 HydrophobicContact CZ-CG 4.12Å; F125-M130 PolarHBondContact O-N 2.76Å; F125-M130 VanDerWaalsContact O-N 3.09Å
126A95.9Very high95Very high0 Ų048.1 Ų48.10%022%0.224CC..Hα-helixtrans-62.8-40.1179.100000111.5L102 L122 L123 E124 M130 K131 V132 V135 L181L102-A126 HydrophobicContact CD2-CB 4.04Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.16Å; L123-A126 WeakPolarHBondContact O-CB 3.39Å; L123-A126 PolarHBondContact O-N 3.31Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-A126 PolarHBondContact O-N 3.14Å; A126-M130 CarbonylContact O-C 3.55Å; A126-M130 WeakPolarHBondContact O-CB 3.34Å; A126-K131 PolarHBondContact O-N 3.47Å; A126-V132 HydrophobicContact CB-CG2 3.81Å; A126-V132 PolarHBondContact O-N 2.94Å; A126-V135 HydrophobicContact CB-CG2 3.9Å; A126-L181 HydrophobicContact CB-CD1 4.12Å
127E94.8Very high95.3Very high81 Ų8142.9 Ų42.938%0.37920%0.201SC..Hα-helixtrans-74.2-51.5177.5-170.9179.3165.400112.4L123 E124 F125 K131 L181L123-E127 PolarHBondContact O-N 3.37Å; E124-E127 PolarHBondContact O-N 2.81Å; F125-E127 VanDerWaalsContact C-N 3.32Å; F125-E127 PolarHBondContact O-N 2.86Å; E127-K131 WeakPolarHBondContact O-CD 3.42Å; E127-K131 PolarHBondContact O-NZ 2.88Å; E127-K131 VanDerWaalsContact O-NZ 3.1Å; E127-L181 HydrophobicContact CB-CD1 4.01Å; E127-L181 HydrophobicContact CB-CD2 4.14Å; E127-L181 HydrophobicContact CG-CB 4.49Å
128E94Very high95.3Very high92 Ų9239.9 Ų39.943%0.4319%0.189SC..Hα-helixtrans-79-41.4-170.8-69.9-158.5162.100113.1E124 K131E124-E128 HydrophobicContact CG-CG 4.34Å; E124-E128 WeakPolarHBondContact O-CB 3.44Å; E124-E128 WeakPolarHBondContact O-CG 3.11Å; E124-E128 PolarHBondContact O-N 3.31Å; E128-K131 WeakPolarHBondContact O-CE 3.09Å; E128-K131 PolarHBondContact O-NZ 3.16Å
129K93.7Very high95.3Very high104 Ų10440 Ų4045%0.45219%0.189SC..THydrogen-bonded Turntrans-105.1-43.3-169.3-47.3-52-177.9-1430112F125F125-K129 HydrophobicContact CD2-CB 3.7Å; F125-K129 HydrophobicContact CD2-CG 3.45Å; F125-K129 VanDerWaalsContact CD2-CG 3.45Å; F125-K129 HydrophobicContact CE2-CB 3.51Å; F125-K129 HydrophobicContact CE2-CG 3.63Å; F125-K129 HydrophobicContact CG-CB 4.31Å; F125-K129 HydrophobicContact CG-CG 4.27Å; F125-K129 HydrophobicContact CZ-CB 4.06Å; F125-K129 WeakPolarHBondContact O-CA 3.46Å; F125-K129 WeakPolarHBondContact O-CB 3.31Å; F125-K129 PolarHBondContact O-N 3.02Å
130M93.1Very high95.3Very high43 Ų4346.4 Ų46.421%0.21221%0.213CC..SBendtrans-85.1-19.6179.6-62.8-175.6137.600113.7V79 F81 L102 F125 A126 V132V79-M130 HydrophobicContact CB-CE 4.42Å; V79-M130 HydrophobicContact CG1-CE 3.83Å; V79-M130 HydrophobicContact CG2-CE 4Å; F81-M130 HydrophobicContact CZ-CE 4.34Å; F81-M130 HydrophobicContact CZ-SD 4.25Å; L102-M130 HydrophobicContact CD1-SD 4.22Å; L102-M130 HydrophobicContact CD2-SD 4.25Å; F125-M130 HydrophobicContact CD1-CG 3.92Å; F125-M130 HydrophobicContact CD1-SD 4.03Å; F125-M130 HydrophobicContact CE1-CE 3.76Å; F125-M130 HydrophobicContact CE1-CG 3.43Å; F125-M130 VanDerWaalsContact CE1-CG 3.43Å; F125-M130 HydrophobicContact CE1-SD 3.63Å; F125-M130 HydrophobicContact CZ-CG 4.12Å; F125-M130 PolarHBondContact O-N 2.76Å; F125-M130 VanDerWaalsContact O-N 3.09Å; A126-M130 CarbonylContact O-C 3.55Å; A126-M130 WeakPolarHBondContact O-CB 3.34Å; M130-V132 VanDerWaalsContact C-N 3.25Å; M130-V132 HydrophobicContact CB-CG1 3.88Å; M130-V132 PolarHBondContact O-N 3.25Å
131K93.2Very high95.1Very high129 Ų12946.4 Ų46.456%0.56121%0.209SC*.  trans52.743.7-178.9-58.8-71.3168.2-147.40112.1A126 E127 E128 Q183A126-K131 PolarHBondContact O-N 3.47Å; E127-K131 WeakPolarHBondContact O-CD 3.42Å; E127-K131 PolarHBondContact O-NZ 2.88Å; E127-K131 VanDerWaalsContact O-NZ 3.1Å; E128-K131 WeakPolarHBondContact O-CE 3.09Å; E128-K131 PolarHBondContact O-NZ 3.16Å; K131-Q183 PolarHBondContact O-NE2 3.31Å
132V94.5Very high94.9Very high3 Ų349.5 Ų49.52%0.01824%0.242CC..  trans-85.1151.5173.9-550000110.5L97 L102 A126 M130 V135 L181 Q183L97-V132 HydrophobicContact CD1-CG1 3.58Å; L102-V132 HydrophobicContact CB-CG2 4.24Å; A126-V132 HydrophobicContact CB-CG2 3.81Å; A126-V132 PolarHBondContact O-N 2.94Å; M130-V132 VanDerWaalsContact C-N 3.25Å; M130-V132 HydrophobicContact CB-CG1 3.88Å; M130-V132 PolarHBondContact O-N 3.25Å; V132-V135 HydrophobicContact CG2-CG2 4.15Å; V132-L181 HydrophobicContact CG2-CD1 3.6Å; V132-L181 WeakPolarHBondContact O-CD1 3.44Å; V132-Q183 PolarHBondContact O-NE2 3.39Å
133N94Very high94.7Very high34 Ų3450.6 Ų50.618%0.18225%0.247CC..SBendtrans-86.1-31.5-179.9-88.4-41.7000111.7Q100 L181 Q183Q100-N133 HydrophobicContact CB-CB 4.09Å; Q100-N133 PolarHBondContact O-N 2.61Å; Q100-N133 PolarHBondContact OE1-ND2 3.37Å; N133-L181 PolarHBondContact O-N 2.96Å; N133-Q183 VanDerWaalsContact CG-CD 3.47Å; N133-Q183 VanDerWaalsContact N-NE2 3.16Å; N133-Q183 WeakPolarHBondContact OD1-CG 3.23Å; N133-Q183 PolarHBondContact OD1-NE2 2.88Å; N133-Q183 VanDerWaalsContact OD1-NE2 3.08Å; N133-Q183 PolarHBondContact OD1-OE1 2.98Å; N133-Q183 VanDerWaalsContact OD1-OE1 3.06Å
134Y95.5Very high94.6Very high89 Ų8959.7 Ų59.735%0.34929%0.289SS..EExtended strand (participates in β ladder)trans-137.2138.2-172.9-56.6-77.6000110.5Q100 S101 L102 F136 V178 P180Q100-Y134 PolarHBondContact O-N 2.87Å; S101-Y134 VanDerWaalsContact CA-O 3.29Å; S101-Y134 WeakPolarHBondContact CA-O 3.5Å; L102-Y134 PolarHBondContact N-O 2.96Å; Y134-F136 VanDerWaalsContact CB-CE2 3.5Å; Y134-F136 HydrophobicContact CG-CE2 4.23Å; Y134-F136 HydrophobicContact CG-CZ 4.45Å; Y134-V178 HydrophobicContact CD1-CG2 3.93Å; Y134-V178 HydrophobicContact CG-CG2 4.45Å; Y134-P180 HydrophobicContact CD1-CB 4.34Å; Y134-P180 HydrophobicContact CE1-CB 4.33Å
135V97.5Very high94.5Very high0 Ų055.7 Ų55.70%027%0.271CS..EExtended strand (participates in β ladder)trans-110118.4164.3-178.40000108L102 V104 L122 L123 A126 V132 F158 V178 Y179 L181L102-V135 HydrophobicContact CB-CG2 4.42Å; L102-V135 CarbonylContact O-C 3.57Å; L102-V135 WeakPolarHBondContact O-CA 3.28Å; V104-V135 HydrophobicContact CG2-CG1 3.99Å; L122-V135 HydrophobicContact CD2-CG1 4.36Å; L123-V135 HydrophobicContact CD2-CB 3.81Å; L123-V135 HydrophobicContact CD2-CG1 3.86Å; L123-V135 HydrophobicContact CD2-CG2 3.81Å; A126-V135 HydrophobicContact CB-CG2 3.9Å; V132-V135 HydrophobicContact CG2-CG2 4.15Å; V135-F158 HydrophobicContact CG1-CE1 4.46Å; V135-V178 CarbonylContact O-C 3.41Å; V135-V178 WeakPolarHBondContact O-CA 3.2Å; V135-Y179 PolarHBondContact N-O 3.2Å; V135-Y179 PolarHBondContact O-N 2.94Å; V135-L181 HydrophobicContact CG2-CD1 3.81Å; V135-L181 HydrophobicContact CG2-CG 4.25Å
136F97.4Very high94.4Very high0 Ų060.8 Ų60.80%029%0.29CS..EExtended strand (participates in β ladder)trans-98.7137.1172.4-66.9-88.5000109.1L102 F103 V104 Y134 V161 H165 C167 V168 M177 V178L102-F136 PolarHBondContact O-N 2.81Å; F103-F136 CarbonylContact C-O 3.58Å; F103-F136 WeakPolarHBondContact CA-O 3.45Å; F103-F136 HydrophobicContact CD1-CB 3.54Å; F103-F136 HydrophobicContact CD1-CD2 4.12Å; F103-F136 AromaticContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CD1-CG 3.97Å; F103-F136 HydrophobicContact CE1-CB 3.76Å; F103-F136 HydrophobicContact CE1-CD1 4.33Å; F103-F136 AromaticContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CD2 3.59Å; F103-F136 HydrophobicContact CE1-CE2 4.27Å; F103-F136 AromaticContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE1-CG 3.62Å; F103-F136 HydrophobicContact CE2-CD2 4.23Å; F103-F136 HydrophobicContact CG-CB 4.23Å; F103-F136 AromaticContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CD2 3.64Å; F103-F136 HydrophobicContact CZ-CE2 4.03Å; F103-F136 HydrophobicContact CZ-CG 4.17Å; V104-F136 PolarHBondContact N-O 3.5Å; Y134-F136 VanDerWaalsContact CB-CE2 3.5Å; Y134-F136 HydrophobicContact CG-CE2 4.23Å; Y134-F136 HydrophobicContact CG-CZ 4.45Å; F136-V161 HydrophobicContact CD1-CG2 3.85Å; F136-V161 HydrophobicContact CE1-CG2 3.77Å; F136-H165 AromaticContact CZ-CE1 3.83Å; F136-C167 HydrophobicContact CE2-CB 4.06Å; F136-C167 HydrophobicContact CZ-CB 3.95Å; F136-V168 HydrophobicContact CD1-CG2 3.71Å; F136-V168 HydrophobicContact CE1-CG2 3.38Å; F136-V168 HydrophobicContact CG-CG2 4.49Å; F136-V168 HydrophobicContact CZ-CG2 3.94Å; F136-M177 CarbonylContact C-O 3.52Å; F136-M177 VanDerWaalsContact CA-O 3.28Å; F136-M177 WeakPolarHBondContact CA-O 3.15Å; F136-V178 HydrophobicContact CD1-CB 3.75Å; F136-V178 HydrophobicContact CD1-CG2 3.91Å; F136-V178 HydrophobicContact CE1-CB 3.57Å; F136-V178 HydrophobicContact CE1-CG2 3.5Å; F136-V178 HydrophobicContact CE2-CG2 4.31Å; F136-V178 HydrophobicContact CG-CG2 4.47Å; F136-V178 HydrophobicContact CZ-CB 4.3Å; F136-V178 HydrophobicContact CZ-CG2 3.72Å
137I96.7Very high94.4Very high0 Ų064 Ų640%032%0.317CS..EExtended strand (participates in β ladder)trans-103.314516258.4170.8000109.4V104 I106 F153 F158 F176 M177V104-I137 HydrophobicContact CB-CG2 4.33Å; V104-I137 CarbonylContact O-C 3.6Å; V104-I137 VanDerWaalsContact O-CA 3.32Å; V104-I137 WeakPolarHBondContact O-CA 3.36Å; I106-I137 HydrophobicContact CD1-CB 3.96Å; I106-I137 HydrophobicContact CD1-CG2 3.91Å; I106-I137 HydrophobicContact CG1-CB 4.15Å; I137-F153 HydrophobicContact CD1-CB 3.56Å; I137-F153 HydrophobicContact CD1-CD1 3.38Å; I137-F153 HydrophobicContact CD1-CD2 3.29Å; I137-F153 HydrophobicContact CD1-CE1 3.8Å; I137-F153 HydrophobicContact CD1-CE2 3.73Å; I137-F153 HydrophobicContact CD1-CG 3.11Å; I137-F153 HydrophobicContact CD1-CZ 3.98Å; I137-F158 HydrophobicContact CB-CE1 4.34Å; I137-F158 HydrophobicContact CD1-CD1 4.02Å; I137-F158 HydrophobicContact CD1-CE1 4.38Å; I137-F158 HydrophobicContact CD1-CG 4.25Å; I137-F158 HydrophobicContact CG1-CD1 3.83Å; I137-F158 HydrophobicContact CG1-CE1 4.06Å; I137-F158 HydrophobicContact CG2-CD1 4.24Å; I137-F158 HydrophobicContact CG2-CE1 3.58Å; I137-F158 HydrophobicContact CG2-CZ 3.93Å; I137-F176 WeakPolarHBondContact O-CA 3.32Å; I137-M177 HydrophobicContact CD1-CB 3.91Å; I137-M177 HydrophobicContact CD1-CG 4.21Å; I137-M177 HydrophobicContact CD1-SD 3.91Å; I137-M177 HydrophobicContact CG1-CB 3.65Å; I137-M177 HydrophobicContact CG1-CG 4.26Å; I137-M177 PolarHBondContact N-O 3.42Å; I137-M177 PolarHBondContact O-N 2.78Å
138C95Very high94.4Very high21 Ų2163.7 Ų63.714%0.14232%0.322CS..EExtended strand (participates in β ladder)trans-136.7141.3178.664.10000112.7V104 I106 V174 M175 F176V104-C138 PolarHBondContact O-N 3.14Å; I106-C138 PolarHBondContact N-O 2.77Å; C138-V174 HydrophobicContact CB-CG1 3.75Å; C138-M175 VanDerWaalsContact CA-O 3.31Å; C138-M175 WeakPolarHBondContact CA-O 3.29Å; C138-F176 HydrophobicContact CB-CD1 3.59Å; C138-F176 HydrophobicContact CB-CE1 3.53Å; C138-F176 HydrophobicContact CB-CG 4.46Å; C138-F176 HydrophobicContact CB-CZ 4.37Å
139F94.9Very high94.4Very high5 Ų559.6 Ų59.62%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-154.4158.3175.859.1-92.5000111.7I106 R146 L149 L150 M175 M177I106-F139 HydrophobicContact CB-CB 4.1Å; I106-F139 HydrophobicContact CG1-CB 4.5Å; I106-F139 HydrophobicContact CG1-CD1 4.25Å; F139-R146 HydrophobicContact CE2-CG 4.11Å; F139-L149 HydrophobicContact CD2-CD1 4.27Å; F139-L149 HydrophobicContact CE2-CD1 4.43Å; F139-L149 HydrophobicContact CG-CD1 4.41Å; F139-L149 HydrophobicContact CZ-CB 4.34Å; F139-L150 HydrophobicContact CZ-CD2 4.07Å; F139-L150 HydrophobicContact CZ-CG 4.26Å; F139-M175 HydrophobicContact CD2-CB 4.21Å; F139-M175 HydrophobicContact CE1-CB 4.42Å; F139-M175 HydrophobicContact CE1-CG 4.36Å; F139-M175 HydrophobicContact CE2-CB 3.82Å; F139-M175 HydrophobicContact CE2-CG 4.09Å; F139-M175 HydrophobicContact CE2-SD 3.86Å; F139-M175 HydrophobicContact CZ-CB 3.94Å; F139-M175 HydrophobicContact CZ-CG 3.79Å; F139-M175 HydrophobicContact CZ-SD 3.7Å; F139-M175 PolarHBondContact N-O 2.91Å; F139-M175 VanDerWaalsContact N-O 3.12Å; F139-M175 PolarHBondContact O-N 3.43Å; F139-M177 HydrophobicContact CE1-SD 4.42Å
140R94.2Very high94.5Very high139 Ų13956.1 Ų56.153%0.52529%0.289SS..EExtended strand (participates in β ladder)trans-65.3134.9-179-65.2-171.6-75.2145.3-10.3111.5D108 G142 R143D108-R140 VanDerWaalsContact CG-NH2 3.26Å; D108-R140 IonicContact OD1-CZ 2.86Å; D108-R140 IonicContact OD1-NE 2.78Å; D108-R140 IonicContact OD1-NH2 3.61Å; D108-R140 PolarHBondContact OD1-NH2 2.97Å; D108-R140 IonicContact OD2-CZ 3.89Å; D108-R140 IonicContact OD2-NE 3.72Å; D108-R140 IonicContact OD2-NH2 3.35Å; D108-R140 PolarHBondContact OD2-NH2 3.4Å; R140-G142 PolarHBondContact O-N 2.82Å; R140-R143 HydrophobicContact CB-CG 4.31Å; R140-R143 VanDerWaalsContact O-CG 3.32Å; R140-R143 WeakPolarHBondContact O-CG 3.25Å; R140-R143 PolarHBondContact O-N 2.84Å
141K92.5Very high94.6Very high86 Ų8660.6 Ų60.637%0.37431%0.307SS..THydrogen-bonded Turntrans-62.4-25.2179.8-75-175.6-173.7169.60114.2R143 P172 D173 V174 M175K141-R143 VanDerWaalsContact C-N 3.29Å; K141-R143 PolarHBondContact O-N 3.5Å; K141-P172 VanDerWaalsContact CD-O 3.26Å; K141-P172 WeakPolarHBondContact CD-O 3.48Å; K141-P172 WeakPolarHBondContact CE-O 3.47Å; K141-P172 PolarHBondContact NZ-O 2.75Å; K141-D173 PolarHBondContact N-O 2.86Å; K141-V174 WeakPolarHBondContact CE-O 3.32Å; K141-M175 HydrophobicContact CG-CB 4.02Å; K141-M175 HydrophobicContact CG-CE 4.45Å
142G92.1Very high94.7Very high79 Ų7957.4 Ų57.481%0.81430%0.298SS*.THydrogen-bonded Turntrans-84.29.6-17500000115.4R140R140-G142 PolarHBondContact O-N 2.82Å
143R92.8Very high94.8Very high23 Ų2357.3 Ų57.39%0.08730%0.298CS..  trans-73.7140.6179.8-65.317364.7129.5-4.3112.2I106 P107 D108 G109 R140 K141 D145 R146I106-R143 PolarHBondContact O-NH1 3.31Å; P107-R143 VanDerWaalsContact C-NH1 3.25Å; P107-R143 PolarHBondContact O-NH1 2.98Å; P107-R143 PolarHBondContact O-NH2 3.02Å; P107-R143 VanDerWaalsContact O-NH2 3.09Å; D108-R143 IonicContact OD1-CZ 2.61Å; D108-R143 IonicContact OD1-NH1 3.72Å; D108-R143 PolarHBondContact OD1-NH1 3.36Å; G109-R143 PolarHBondContact O-NH2 2.96Å; R140-R143 HydrophobicContact CB-CG 4.31Å; R140-R143 VanDerWaalsContact O-CG 3.32Å; R140-R143 WeakPolarHBondContact O-CG 3.25Å; R140-R143 PolarHBondContact O-N 2.84Å; K141-R143 VanDerWaalsContact C-N 3.29Å; K141-R143 PolarHBondContact O-N 3.5Å; R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 WeakPolarHBondContact CB-OD1 3.5Å; R143-D145 IonicContact CZ-OD1 3.22Å; R143-D145 IonicContact CZ-OD2 2.7Å; R143-D145 IonicContact NE-OD1 3.99Å; R143-D145 PolarHBondContact NE-OD1 2.86Å; R143-D145 IonicContact NE-OD2 3.54Å; R143-D145 IonicContact NH2-OD1 3.92Å; R143-D145 PolarHBondContact NH2-OD1 2.79Å; R143-D145 IonicContact NH2-OD2 3.72Å; R143-D145 PolarHBondContact NH2-OD2 3.04Å; R143-D145 PolarHBondContact O-N 2.77Å; R143-R146 WeakPolarHBondContact O-CB 3.4Å; R143-R146 PolarHBondContact O-N 2.85Å
144E93.6Very high94.9Very high204 Ų20458.5 Ų58.595%0.95331%0.309SS*.THydrogen-bonded Turntrans-66.3-31.5177.6-60.8-177166.500112R146E144-R146 VanDerWaalsContact C-N 3.32Å; E144-R146 PolarHBondContact O-N 2.93Å
145D93.6Very high94.9Very high29 Ų2962 Ų6216%0.15533%0.326CS..THydrogen-bonded Turntrans-88.814.8178.367.3-22.5000113.7R143 A147 P148 L149R143-D145 VanDerWaalsContact C-N 3.28Å; R143-D145 WeakPolarHBondContact CB-OD1 3.5Å; R143-D145 IonicContact CZ-OD1 3.22Å; R143-D145 IonicContact CZ-OD2 2.7Å; R143-D145 IonicContact NE-OD1 3.99Å; R143-D145 PolarHBondContact NE-OD1 2.86Å; R143-D145 IonicContact NE-OD2 3.54Å; R143-D145 IonicContact NH2-OD1 3.92Å; R143-D145 PolarHBondContact NH2-OD1 2.79Å; R143-D145 IonicContact NH2-OD2 3.72Å; R143-D145 PolarHBondContact NH2-OD2 3.04Å; R143-D145 PolarHBondContact O-N 2.77Å; D145-A147 PolarHBondContact O-N 3.3Å; D145-P148 HydrophobicContact CB-CG 4.13Å; D145-P148 WeakPolarHBondContact O-CD 3.5Å; D145-P148 WeakPolarHBondContact O-CG 3.19Å; D145-L149 VanDerWaalsContact O-CG 3.29Å; D145-L149 WeakPolarHBondContact O-CG 3.32Å; D145-L149 PolarHBondContact O-N 3.04Å
146R94.3Very high94.7Very high115 Ų11564.3 Ų64.343%0.43434%0.338SS..Hα-helixtrans-53.3-48.6180175.4-177.475.3176.34.3113.4F139 R143 E144 L149 L150 M175F139-R146 HydrophobicContact CE2-CG 4.11Å; R143-R146 WeakPolarHBondContact O-CB 3.4Å; R143-R146 PolarHBondContact O-N 2.85Å; E144-R146 VanDerWaalsContact C-N 3.32Å; E144-R146 PolarHBondContact O-N 2.93Å; R146-L149 PolarHBondContact O-N 3.22Å; R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 HydrophobicContact CG-CG 4.44Å; R146-L150 WeakPolarHBondContact O-CG 3.13Å; R146-L150 PolarHBondContact O-N 3.04Å; R146-M175 HydrophobicContact CG-SD 4.23Å
147A94.9Very high94.7Very high69 Ų6966.2 Ų66.257%0.5736%0.358SS*.Hα-helixtrans-63-48.9-176.300000112.8D145 L149 K151D145-A147 PolarHBondContact O-N 3.3Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 3.38Å; A147-K151 WeakPolarHBondContact O-CB 3.15Å; A147-K151 PolarHBondContact O-N 3.13Å; A147-K151 VanDerWaalsContact O-N 3.08Å
148P94.1Very high94.7Very high73 Ų7366.3 Ų66.347%0.47436%0.358SS..Hα-helixtrans-64.4-35.2173.719.9-28.9000113.1D145 K151 T152D145-P148 HydrophobicContact CB-CG 4.13Å; D145-P148 WeakPolarHBondContact O-CD 3.5Å; D145-P148 WeakPolarHBondContact O-CG 3.19Å; P148-K151 PolarHBondContact O-N 2.82Å; P148-T152 WeakPolarHBondContact O-CB 3.29Å; P148-T152 PolarHBondContact O-N 3.42Å; P148-T152 PolarHBondContact O-OG1 2.75Å
149L94.7Very high94.8Very high6 Ų671.8 Ų71.83%0.03138%0.382CS..Hα-helixtrans-60.8-52.4174.9-72170.7000111.8I106 L111 F139 D145 R146 A147 K151 T152 F153I106-L149 HydrophobicContact CG2-CD2 4.29Å; L111-L149 HydrophobicContact CD1-CD2 4.26Å; L111-L149 HydrophobicContact CD2-CD2 4.23Å; L111-L149 HydrophobicContact CG-CD2 4.16Å; F139-L149 HydrophobicContact CD2-CD1 4.27Å; F139-L149 HydrophobicContact CE2-CD1 4.43Å; F139-L149 HydrophobicContact CG-CD1 4.41Å; F139-L149 HydrophobicContact CZ-CB 4.34Å; D145-L149 VanDerWaalsContact O-CG 3.29Å; D145-L149 WeakPolarHBondContact O-CG 3.32Å; D145-L149 PolarHBondContact O-N 3.04Å; R146-L149 PolarHBondContact O-N 3.22Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 3.38Å; L149-K151 VanDerWaalsContact C-N 3.27Å; L149-K151 PolarHBondContact O-N 2.84Å; L149-T152 PolarHBondContact O-N 2.81Å; L149-T152 VanDerWaalsContact O-N 3.16Å; L149-F153 HydrophobicContact CB-CD2 4.35Å; L149-F153 HydrophobicContact CB-CE2 4.31Å; L149-F153 HydrophobicContact CD2-CE2 3.85Å; L149-F153 WeakPolarHBondContact O-CD2 3.46Å; L149-F153 PolarHBondContact O-N 3.27Å
150L95.6Very high94.9Very high32 Ų3276.1 Ų76.117%0.16840%0.404CS..Hα-helixtrans-53.7-47.1176.4-76.9176.5000111.4F139 R146 S154 I160 M175 M177F139-L150 HydrophobicContact CZ-CD2 4.07Å; F139-L150 HydrophobicContact CZ-CG 4.26Å; R146-L150 HydrophobicContact CG-CD1 4.11Å; R146-L150 HydrophobicContact CG-CG 4.44Å; R146-L150 WeakPolarHBondContact O-CG 3.13Å; R146-L150 PolarHBondContact O-N 3.04Å; L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.06Å; L150-S154 PolarHBondContact O-N 2.7Å; L150-S154 PolarHBondContact O-OG 2.95Å; L150-S154 VanDerWaalsContact O-OG 3.14Å; L150-I160 HydrophobicContact CD2-CD1 3.96Å; L150-I160 HydrophobicContact CD2-CG1 3.98Å; L150-M175 HydrophobicContact CD1-SD 3.88Å; L150-M175 HydrophobicContact CD2-CG 4.36Å; L150-M175 HydrophobicContact CD2-SD 3.6Å; L150-M175 HydrophobicContact CG-SD 3.99Å; L150-M177 HydrophobicContact CD2-CE 4.23Å; L150-M177 HydrophobicContact CD2-CG 4.18Å; L150-M177 HydrophobicContact CD2-SD 3.54Å; L150-M177 VanDerWaalsContact CD2-SD 3.54Å
151K95.7Very high94.9Very high137 Ų13770.5 Ų70.560%0.59639%0.385SS*.Hα-helixtrans-59.1-51.3178.1-175.4174.3-179.4179.60110.9A147 P148 L149 S154 F155A147-K151 WeakPolarHBondContact O-CB 3.15Å; A147-K151 PolarHBondContact O-N 3.13Å; A147-K151 VanDerWaalsContact O-N 3.08Å; P148-K151 PolarHBondContact O-N 2.82Å; L149-K151 VanDerWaalsContact C-N 3.27Å; L149-K151 PolarHBondContact O-N 2.84Å; K151-S154 PolarHBondContact O-N 3.22Å; K151-F155 HydrophobicContact CD-CE2 4.14Å; K151-F155 HydrophobicContact CG-CD2 3.8Å; K151-F155 HydrophobicContact CG-CE2 3.49Å; K151-F155 VanDerWaalsContact CG-CE2 3.49Å; K151-F155 WeakPolarHBondContact O-CD2 3.31Å; K151-F155 PolarHBondContact O-N 3.36Å
152T94.7Very high94.7Very high61 Ų6176.5 Ų76.537%0.37441%0.406SS..Hα-helixtrans-58-51.2-179.3-63.80000111.9P148 L149 F155 L156P148-T152 WeakPolarHBondContact O-CB 3.29Å; P148-T152 PolarHBondContact O-N 3.42Å; P148-T152 PolarHBondContact O-OG1 2.75Å; L149-T152 PolarHBondContact O-N 2.81Å; L149-T152 VanDerWaalsContact O-N 3.16Å; T152-F155 WeakPolarHBondContact O-CB 3.34Å; T152-F155 PolarHBondContact O-N 2.99Å; T152-L156 HydrophobicContact CG2-CD1 4.49Å; T152-L156 WeakPolarHBondContact O-CG 3.43Å; T152-L156 PolarHBondContact O-N 3.09Å
153F96.1Very high94.4Very high1 Ų179.1 Ų79.10%0.00441%0.408CS..Hα-helixtrans-70.6-34-177.4-69.3-65.9000112.4I106 L111 L119 I137 L149 F155 L156 G157 F158 M177I106-F153 HydrophobicContact CD1-CE1 4.18Å; I106-F153 HydrophobicContact CD1-CE2 4.14Å; I106-F153 HydrophobicContact CD1-CZ 3.52Å; I106-F153 HydrophobicContact CG1-CE2 4.09Å; I106-F153 HydrophobicContact CG1-CZ 3.99Å; I106-F153 HydrophobicContact CG2-CE2 4.49Å; I106-F153 HydrophobicContact CG2-CZ 4.44Å; L111-F153 HydrophobicContact CD1-CZ 4.27Å; L119-F153 HydrophobicContact CD2-CD1 4.17Å; L119-F153 HydrophobicContact CD2-CE1 3.73Å; I137-F153 HydrophobicContact CD1-CB 3.56Å; I137-F153 HydrophobicContact CD1-CD1 3.38Å; I137-F153 HydrophobicContact CD1-CD2 3.29Å; I137-F153 HydrophobicContact CD1-CE1 3.8Å; I137-F153 HydrophobicContact CD1-CE2 3.73Å; I137-F153 HydrophobicContact CD1-CG 3.11Å; I137-F153 HydrophobicContact CD1-CZ 3.98Å; L149-F153 HydrophobicContact CB-CD2 4.35Å; L149-F153 HydrophobicContact CB-CE2 4.31Å; L149-F153 HydrophobicContact CD2-CE2 3.85Å; L149-F153 WeakPolarHBondContact O-CD2 3.46Å; L149-F153 PolarHBondContact O-N 3.27Å; F153-F155 VanDerWaalsContact C-N 3.31Å; F153-F155 PolarHBondContact O-N 3.43Å; F153-L156 HydrophobicContact CD1-CD1 4.24Å; F153-L156 CarbonylContact O-C 3.41Å; F153-L156 WeakPolarHBondContact O-CA 3.42Å; F153-L156 WeakPolarHBondContact O-CB 3.25Å; F153-L156 PolarHBondContact O-N 3.45Å; F153-G157 PolarHBondContact O-N 2.93Å; F153-F158 HydrophobicContact CB-CB 3.99Å; F153-F158 HydrophobicContact CB-CD2 4.28Å; F153-F158 HydrophobicContact CB-CG 4.26Å; F153-F158 HydrophobicContact CD1-CD2 4.23Å; F153-F158 HydrophobicContact CD1-CE2 4.38Å; F153-F158 WeakPolarHBondContact O-CB 3.32Å; F153-F158 PolarHBondContact O-N 3.25Å; F153-M177 HydrophobicContact CB-CE 3.69Å; F153-M177 HydrophobicContact CB-SD 3.65Å; F153-M177 HydrophobicContact CD2-SD 4.4Å; F153-M177 HydrophobicContact CG-SD 4.42Å
154S96.6Very high94Very high59 Ų5982 Ų8241%0.41344%0.444SS..Hα-helixtrans-63.8-35.4170.8-700000113L150 K151 L156 G157 F158 M177L150-S154 VanDerWaalsContact O-CB 3.29Å; L150-S154 WeakPolarHBondContact O-CB 3.06Å; L150-S154 PolarHBondContact O-N 2.7Å; L150-S154 PolarHBondContact O-OG 2.95Å; L150-S154 VanDerWaalsContact O-OG 3.14Å; K151-S154 PolarHBondContact O-N 3.22Å; S154-L156 PolarHBondContact O-N 3.28Å; S154-G157 PolarHBondContact O-N 3.05Å; S154-G157 VanDerWaalsContact O-N 3.15Å; S154-F158 VanDerWaalsContact CA-O 3.29Å; S154-F158 WeakPolarHBondContact CA-O 3.37Å; S154-F158 PolarHBondContact OG-O 3.43Å; S154-M177 VanDerWaalsContact OG-CE 3.31Å; S154-M177 WeakPolarHBondContact OG-CE 3.4Å
155F95.4Very high93.6Very high163 Ų16375 Ų7572%0.71541%0.411SS*.Hα-helixtrans-65.4-26.1171.2-84-66.7000113.5K151 T152 F153 G157K151-F155 HydrophobicContact CD-CE2 4.14Å; K151-F155 HydrophobicContact CG-CD2 3.8Å; K151-F155 HydrophobicContact CG-CE2 3.49Å; K151-F155 VanDerWaalsContact CG-CE2 3.49Å; K151-F155 WeakPolarHBondContact O-CD2 3.31Å; K151-F155 PolarHBondContact O-N 3.36Å; T152-F155 WeakPolarHBondContact O-CB 3.34Å; T152-F155 PolarHBondContact O-N 2.99Å; F153-F155 VanDerWaalsContact C-N 3.31Å; F153-F155 PolarHBondContact O-N 3.43Å; F155-G157 VanDerWaalsContact C-N 3.28Å
156L94.7Very high93.4Very high49 Ų4979.5 Ų79.526%0.25744%0.442SS..THydrogen-bonded Turntrans-850.9175.5-65.3174.1000113.2L119 T152 F153 S154 F158 Y179L119-L156 HydrophobicContact CD2-CD1 3.82Å; T152-L156 HydrophobicContact CG2-CD1 4.49Å; T152-L156 WeakPolarHBondContact O-CG 3.43Å; T152-L156 PolarHBondContact O-N 3.09Å; F153-L156 HydrophobicContact CD1-CD1 4.24Å; F153-L156 CarbonylContact O-C 3.41Å; F153-L156 WeakPolarHBondContact O-CA 3.42Å; F153-L156 WeakPolarHBondContact O-CB 3.25Å; F153-L156 PolarHBondContact O-N 3.45Å; S154-L156 PolarHBondContact O-N 3.28Å; L156-F158 HydrophobicContact CB-CD2 4.17Å; L156-F158 HydrophobicContact CB-CE2 4.49Å; L156-Y179 WeakPolarHBondContact O-CE2 3.24Å
157G96Very high93Very high39 Ų3976.5 Ų76.540%0.40244%0.439SS..THydrogen-bonded Turntrans95.54.8179.700000114.9F153 S154 F155F153-G157 PolarHBondContact O-N 2.93Å; S154-G157 PolarHBondContact O-N 3.05Å; S154-G157 VanDerWaalsContact O-N 3.15Å; F155-G157 VanDerWaalsContact C-N 3.28Å
158F97.5Very high92.7Very high2 Ų274.3 Ų74.31%0.00942%0.418CS..  trans-78.2135.8173.6-71.8-103.1000111.7L119 L123 V135 I137 F153 S154 L156 M177 V178 Y179L119-F158 HydrophobicContact CD2-CE2 4.28Å; L123-F158 HydrophobicContact CD1-CE2 4.38Å; L123-F158 HydrophobicContact CD2-CZ 4.19Å; V135-F158 HydrophobicContact CG1-CE1 4.46Å; I137-F158 HydrophobicContact CB-CE1 4.34Å; I137-F158 HydrophobicContact CD1-CD1 4.02Å; I137-F158 HydrophobicContact CD1-CE1 4.38Å; I137-F158 HydrophobicContact CD1-CG 4.25Å; I137-F158 HydrophobicContact CG1-CD1 3.83Å; I137-F158 HydrophobicContact CG1-CE1 4.06Å; I137-F158 HydrophobicContact CG2-CD1 4.24Å; I137-F158 HydrophobicContact CG2-CE1 3.58Å; I137-F158 HydrophobicContact CG2-CZ 3.93Å; F153-F158 HydrophobicContact CB-CB 3.99Å; F153-F158 HydrophobicContact CB-CD2 4.28Å; F153-F158 HydrophobicContact CB-CG 4.26Å; F153-F158 HydrophobicContact CD1-CD2 4.23Å; F153-F158 HydrophobicContact CD1-CE2 4.38Å; F153-F158 WeakPolarHBondContact O-CB 3.32Å; F153-F158 PolarHBondContact O-N 3.25Å; S154-F158 VanDerWaalsContact CA-O 3.29Å; S154-F158 WeakPolarHBondContact CA-O 3.37Å; S154-F158 PolarHBondContact OG-O 3.43Å; L156-F158 HydrophobicContact CB-CD2 4.17Å; L156-F158 HydrophobicContact CB-CE2 4.49Å; F158-M177 HydrophobicContact CB-CB 3.91Å; F158-M177 HydrophobicContact CB-CE 3.88Å; F158-M177 HydrophobicContact CD1-CB 4.32Å; F158-M177 WeakPolarHBondContact O-CE 3.37Å; F158-V178 CarbonylContact C-O 3.57Å; F158-V178 VanDerWaalsContact CA-O 3.3Å; F158-V178 WeakPolarHBondContact CA-O 3.22Å; F158-Y179 HydrophobicContact CD2-CD2 4.04Å; F158-Y179 VanDerWaalsContact CE1-CB 3.44Å; F158-Y179 HydrophobicContact CE1-CG 4.49Å; F158-Y179 HydrophobicContact CE2-CD2 4.04Å; F158-Y179 HydrophobicContact CE2-CG 4.35Å; F158-Y179 HydrophobicContact CG-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CG 4.3Å
159E97Very high92.3Very high136 Ų13674.3 Ų74.364%0.63642%0.418SS*.EExtended strand (participates in β ladder)trans-107.1144.9177.6-59.6-171.5169.100111.5V161 M177 V178E159-V161 PolarHBondContact O-N 3.18Å; E159-M177 CarbonylContact O-C 3.57Å; E159-M177 WeakPolarHBondContact O-CA 3.32Å; E159-M177 WeakPolarHBondContact O-CB 3.26Å; E159-V178 HydrophobicContact CB-CG1 4.41Å; E159-V178 PolarHBondContact N-O 3.12Å; E159-V178 PolarHBondContact O-N 2.91Å
160I96.3Very high91.9Very high97 Ų9779.9 Ų79.950%0.49746%0.458SS..EExtended strand (participates in β ladder)trans-65.9126.7176.2-62.4174.2000109.4L150 R162 M177L150-I160 HydrophobicContact CD2-CD1 3.96Å; L150-I160 HydrophobicContact CD2-CG1 3.98Å; I160-R162 PolarHBondContact O-N 2.81Å; I160-M177 HydrophobicContact CG1-CE 4.38Å; I160-M177 HydrophobicContact CG1-CG 4.44Å
161V95.6Very high91.6Very high21 Ų2184.3 Ų84.313%0.12747%0.472CS..PPolyproline II helixtrans-71.7130178-179.80000110.3F136 E159 H165 V168 F176 V178F136-V161 HydrophobicContact CD1-CG2 3.85Å; F136-V161 HydrophobicContact CE1-CG2 3.77Å; E159-V161 PolarHBondContact O-N 3.18Å; V161-H165 HydrophobicContact CG1-CB 3.4Å; V161-H165 VanDerWaalsContact CG1-CB 3.4Å; V161-V168 HydrophobicContact CG1-CB 4.42Å; V161-V168 HydrophobicContact CG1-CG2 3.9Å; V161-V168 HydrophobicContact CG2-CG2 4.49Å; V161-F176 HydrophobicContact CB-CB 3.93Å; V161-F176 HydrophobicContact CG2-CB 3.81Å; V161-F176 PolarHBondContact N-O 3.16Å; V161-V178 HydrophobicContact CG2-CB 3.8Å; V161-V178 HydrophobicContact CG2-CG1 3.93Å
162R88.4Confident91.3Very high212 Ų21282.5 Ų82.580%0.847%0.474SS*.PPolyproline II helixtrans-70141.5174.2-63.7-177-173.7175.52.8110.7I160 G164 H165I160-R162 PolarHBondContact O-N 2.81Å; R162-G164 PolarHBondContact O-N 3.2Å; R162-H165 PolarHBondContact O-N 2.76Å
163P84.3Confident91.2Very high134 Ų13483.1 Ų83.187%0.8748%0.475SS*.THydrogen-bonded Turntrans-52.8135.5171.8-24.733.8000111.5
164G84.8Confident91.1Very high82 Ų8283.8 Ų83.885%0.84548%0.48SS*.THydrogen-bonded Turntrans88.49.2-179.600000115.5R162R162-G164 PolarHBondContact O-N 3.2Å
165H86.6Confident91Very high57 Ų5782.6 Ų82.626%0.26447%0.468SS..  trans-58.8129.7172.8-170.7-78.2000111.2F136 V161 R162 C167 V168F136-H165 AromaticContact CZ-CE1 3.83Å; V161-H165 HydrophobicContact CG1-CB 3.4Å; V161-H165 VanDerWaalsContact CG1-CB 3.4Å; R162-H165 PolarHBondContact O-N 2.76Å; H165-C167 VanDerWaalsContact C-N 3.3Å; H165-C167 PolarHBondContact ND1-N 3.21Å; H165-C167 PolarHBondContact O-N 2.81Å; H165-V168 HydrophobicContact CB-CB 4.29Å; H165-V168 HydrophobicContact CB-CG2 4.25Å; H165-V168 PolarHBondContact O-N 3.13Å
166P87.6Confident91.1Very high124 Ų12475.9 Ų75.981%0.80544%0.438SS*.THydrogen-bonded Turntrans-62.7-32.4-169.323.4-34.6000114V168P166-V168 VanDerWaalsContact C-N 3.35Å
167C86.8Confident91.2Very high52 Ų5273.5 Ų73.535%0.35143%0.426SS..THydrogen-bonded Turntrans-78.2-17178.5-52.70000113.7F103 F136 H165F103-C167 VanDerWaalsContact CZ-O 3.25Å; F103-C167 WeakPolarHBondContact CZ-O 3.25Å; F136-C167 HydrophobicContact CE2-CB 4.06Å; F136-C167 HydrophobicContact CZ-CB 3.95Å; H165-C167 VanDerWaalsContact C-N 3.3Å; H165-C167 PolarHBondContact ND1-N 3.21Å; H165-C167 PolarHBondContact O-N 2.81Å
168V87.7Confident91.3Very high24 Ų2472.5 Ų72.515%0.14541%0.412CS..SBendtrans-102.9126.3-168.9177.70000110.4F103 F136 V161 H165 P166 F176F103-V168 HydrophobicContact CE1-CG2 4.32Å; F136-V168 HydrophobicContact CD1-CG2 3.71Å; F136-V168 HydrophobicContact CE1-CG2 3.38Å; F136-V168 HydrophobicContact CG-CG2 4.49Å; F136-V168 HydrophobicContact CZ-CG2 3.94Å; V161-V168 HydrophobicContact CG1-CB 4.42Å; V161-V168 HydrophobicContact CG1-CG2 3.9Å; V161-V168 HydrophobicContact CG2-CG2 4.49Å; H165-V168 HydrophobicContact CB-CB 4.29Å; H165-V168 HydrophobicContact CB-CG2 4.25Å; H165-V168 PolarHBondContact O-N 3.13Å; P166-V168 VanDerWaalsContact C-N 3.35Å; V168-F176 HydrophobicContact CG1-CB 4.18Å; V168-F176 HydrophobicContact CG1-CD1 3.77Å; V168-F176 HydrophobicContact CG1-CD2 3.35Å; V168-F176 HydrophobicContact CG1-CE1 3.9Å; V168-F176 HydrophobicContact CG1-CE2 3.49Å; V168-F176 VanDerWaalsContact CG1-CE2 3.49Å; V168-F176 HydrophobicContact CG1-CG 3.49Å; V168-F176 VanDerWaalsContact CG1-CG 3.49Å; V168-F176 HydrophobicContact CG1-CZ 3.77Å
169P85.6Confident91.3Very high72 Ų7275.9 Ų75.947%0.46843%0.425SS..  trans-63.8147.7179.227.1-34.7000111.1R171 F176P169-R171 VanDerWaalsContact C-N 3.32Å; P169-R171 HydrophobicContact CB-CG 4.33Å; P169-R171 HydrophobicContact CG-CG 4.32Å; P169-R171 PolarHBondContact O-N 2.87Å; P169-F176 HydrophobicContact CG-CZ 4.13Å
170S86.8Confident91.2Very high124 Ų12472.7 Ų72.787%0.86742%0.416SS*.  trans-70.387.6177-165.50000110.7
171R90.4Very high91.1Very high125 Ų12568.5 Ų68.547%0.47240%0.395SS..  trans-122.790.4-179.6-73.5-67.2-60.6-87.4-1.9110P169 D173 V174 F176P169-R171 VanDerWaalsContact C-N 3.32Å; P169-R171 HydrophobicContact CB-CG 4.33Å; P169-R171 HydrophobicContact CG-CG 4.32Å; P169-R171 PolarHBondContact O-N 2.87Å; R171-D173 IonicContact CZ-OD1 3.42Å; R171-D173 IonicContact CZ-OD2 3.59Å; R171-D173 IonicContact NE-OD1 2.94Å; R171-D173 PolarHBondContact NE-OD1 2.9Å; R171-D173 IonicContact NE-OD2 3.65Å; R171-D173 IonicContact NH2-OD1 3.94Å; R171-D173 IonicContact NH2-OD2 3.73Å; R171-D173 PolarHBondContact NH2-OD2 3.42Å; R171-D173 PolarHBondContact O-N 2.65Å; R171-V174 HydrophobicContact CB-CB 3.97Å; R171-V174 HydrophobicContact CB-CG2 4.01Å; R171-V174 PolarHBondContact O-N 3.35Å; R171-V174 VanDerWaalsContact O-N 3.16Å; R171-F176 HydrophobicContact CB-CE2 4.09Å; R171-F176 HydrophobicContact CB-CZ 4.3Å
172P89.6Confident90.4Very high99 Ų9974.3 Ų74.364%0.64343%0.425SS*.THydrogen-bonded Turntrans-68-17.7-174.928.1-35.1000113.2K141K141-P172 VanDerWaalsContact CD-O 3.26Å; K141-P172 WeakPolarHBondContact CD-O 3.48Å; K141-P172 WeakPolarHBondContact CE-O 3.47Å; K141-P172 PolarHBondContact NZ-O 2.75Å
173D92.5Very high89.3Confident73 Ų7367.4 Ų67.439%0.3940%0.402SS..THydrogen-bonded Turntrans-83.4-13.5177.260.9-50.1000113.8K141 R171K141-D173 PolarHBondContact N-O 2.86Å; R171-D173 IonicContact CZ-OD1 3.42Å; R171-D173 IonicContact CZ-OD2 3.59Å; R171-D173 IonicContact NE-OD1 2.94Å; R171-D173 PolarHBondContact NE-OD1 2.9Å; R171-D173 IonicContact NE-OD2 3.65Å; R171-D173 IonicContact NH2-OD1 3.94Å; R171-D173 IonicContact NH2-OD2 3.73Å; R171-D173 PolarHBondContact NH2-OD2 3.42Å; R171-D173 PolarHBondContact O-N 2.65Å
174V93.8Very high87.8Confident16 Ų1668.1 Ų68.110%0.09740%0.399CS..EExtended strand (participates in β ladder)trans-113.3140.2-174.3-177.50000110.5C138 K141 R171 F176C138-V174 HydrophobicContact CB-CG1 3.75Å; K141-V174 WeakPolarHBondContact CE-O 3.32Å; R171-V174 HydrophobicContact CB-CB 3.97Å; R171-V174 HydrophobicContact CB-CG2 4.01Å; R171-V174 PolarHBondContact O-N 3.35Å; R171-V174 VanDerWaalsContact O-N 3.16Å; V174-F176 HydrophobicContact CB-CE2 3.81Å; V174-F176 HydrophobicContact CB-CZ 4.07Å; V174-F176 HydrophobicContact CG1-CD2 4.15Å; V174-F176 HydrophobicContact CG1-CE1 4.1Å; V174-F176 HydrophobicContact CG1-CE2 3.65Å; V174-F176 HydrophobicContact CG1-CZ 3.61Å
175M94.2Very high85.9Confident33 Ų3371.4 Ų71.416%0.16340%0.396CS..EExtended strand (participates in β ladder)trans-98.9135170.7-171.6155.5-89.600108.7C138 F139 K141 R146 L150C138-M175 VanDerWaalsContact CA-O 3.31Å; C138-M175 WeakPolarHBondContact CA-O 3.29Å; F139-M175 HydrophobicContact CD2-CB 4.21Å; F139-M175 HydrophobicContact CE1-CB 4.42Å; F139-M175 HydrophobicContact CE1-CG 4.36Å; F139-M175 HydrophobicContact CE2-CB 3.82Å; F139-M175 HydrophobicContact CE2-CG 4.09Å; F139-M175 HydrophobicContact CE2-SD 3.86Å; F139-M175 HydrophobicContact CZ-CB 3.94Å; F139-M175 HydrophobicContact CZ-CG 3.79Å; F139-M175 HydrophobicContact CZ-SD 3.7Å; F139-M175 PolarHBondContact N-O 2.91Å; F139-M175 VanDerWaalsContact N-O 3.12Å; F139-M175 PolarHBondContact O-N 3.43Å; K141-M175 HydrophobicContact CG-CB 4.02Å; K141-M175 HydrophobicContact CG-CE 4.45Å; R146-M175 HydrophobicContact CG-SD 4.23Å; L150-M175 HydrophobicContact CD1-SD 3.88Å; L150-M175 HydrophobicContact CD2-CG 4.36Å; L150-M175 HydrophobicContact CD2-SD 3.6Å; L150-M175 HydrophobicContact CG-SD 3.99Å
176F96.6Very high84Confident22 Ų2273.2 Ų73.210%0.09642%0.415CS..EExtended strand (participates in β ladder)trans-118.9138.6178-64.6-90.3000110.1F103 I137 C138 V161 V168 P169 R171 V174F103-F176 HydrophobicContact CD1-CE1 4.33Å; I137-F176 WeakPolarHBondContact O-CA 3.32Å; C138-F176 HydrophobicContact CB-CD1 3.59Å; C138-F176 HydrophobicContact CB-CE1 3.53Å; C138-F176 HydrophobicContact CB-CG 4.46Å; C138-F176 HydrophobicContact CB-CZ 4.37Å; V161-F176 HydrophobicContact CB-CB 3.93Å; V161-F176 HydrophobicContact CG2-CB 3.81Å; V161-F176 PolarHBondContact N-O 3.16Å; V168-F176 HydrophobicContact CG1-CB 4.18Å; V168-F176 HydrophobicContact CG1-CD1 3.77Å; V168-F176 HydrophobicContact CG1-CD2 3.35Å; V168-F176 HydrophobicContact CG1-CE1 3.9Å; V168-F176 HydrophobicContact CG1-CE2 3.49Å; V168-F176 VanDerWaalsContact CG1-CE2 3.49Å; V168-F176 HydrophobicContact CG1-CG 3.49Å; V168-F176 VanDerWaalsContact CG1-CG 3.49Å; V168-F176 HydrophobicContact CG1-CZ 3.77Å; P169-F176 HydrophobicContact CG-CZ 4.13Å; R171-F176 HydrophobicContact CB-CE2 4.09Å; R171-F176 HydrophobicContact CB-CZ 4.3Å; V174-F176 HydrophobicContact CB-CE2 3.81Å; V174-F176 HydrophobicContact CB-CZ 4.07Å; V174-F176 HydrophobicContact CG1-CD2 4.15Å; V174-F176 HydrophobicContact CG1-CE1 4.1Å; V174-F176 HydrophobicContact CG1-CE2 3.65Å; V174-F176 HydrophobicContact CG1-CZ 3.61Å
177M97.5Very high81.9Confident0 Ų074.1 Ų74.10%041%0.413CS..EExtended strand (participates in β ladder)trans-126148.5164.7-48.3174.165.300109F136 I137 F139 L150 F153 S154 F158 E159 I160F136-M177 CarbonylContact C-O 3.52Å; F136-M177 VanDerWaalsContact CA-O 3.28Å; F136-M177 WeakPolarHBondContact CA-O 3.15Å; I137-M177 HydrophobicContact CD1-CB 3.91Å; I137-M177 HydrophobicContact CD1-CG 4.21Å; I137-M177 HydrophobicContact CD1-SD 3.91Å; I137-M177 HydrophobicContact CG1-CB 3.65Å; I137-M177 HydrophobicContact CG1-CG 4.26Å; I137-M177 PolarHBondContact N-O 3.42Å; I137-M177 PolarHBondContact O-N 2.78Å; F139-M177 HydrophobicContact CE1-SD 4.42Å; L150-M177 HydrophobicContact CD2-CE 4.23Å; L150-M177 HydrophobicContact CD2-CG 4.18Å; L150-M177 HydrophobicContact CD2-SD 3.54Å; L150-M177 VanDerWaalsContact CD2-SD 3.54Å; F153-M177 HydrophobicContact CB-CE 3.69Å; F153-M177 HydrophobicContact CB-SD 3.65Å; F153-M177 HydrophobicContact CD2-SD 4.4Å; F153-M177 HydrophobicContact CG-SD 4.42Å; S154-M177 VanDerWaalsContact OG-CE 3.31Å; S154-M177 WeakPolarHBondContact OG-CE 3.4Å; F158-M177 HydrophobicContact CB-CB 3.91Å; F158-M177 HydrophobicContact CB-CE 3.88Å; F158-M177 HydrophobicContact CD1-CB 4.32Å; F158-M177 WeakPolarHBondContact O-CE 3.37Å; E159-M177 CarbonylContact O-C 3.57Å; E159-M177 WeakPolarHBondContact O-CA 3.32Å; E159-M177 WeakPolarHBondContact O-CB 3.26Å; I160-M177 HydrophobicContact CG1-CE 4.38Å; I160-M177 HydrophobicContact CG1-CG 4.44Å
178V97.5Very high79.9Confident18 Ų1880.4 Ų80.411%0.10944%0.437CS..EExtended strand (participates in β ladder)trans-120140.4-174.762.60000110.9Y134 V135 F136 F158 E159 V161Y134-V178 HydrophobicContact CD1-CG2 3.93Å; Y134-V178 HydrophobicContact CG-CG2 4.45Å; V135-V178 CarbonylContact O-C 3.41Å; V135-V178 WeakPolarHBondContact O-CA 3.2Å; F136-V178 HydrophobicContact CD1-CB 3.75Å; F136-V178 HydrophobicContact CD1-CG2 3.91Å; F136-V178 HydrophobicContact CE1-CB 3.57Å; F136-V178 HydrophobicContact CE1-CG2 3.5Å; F136-V178 HydrophobicContact CE2-CG2 4.31Å; F136-V178 HydrophobicContact CG-CG2 4.47Å; F136-V178 HydrophobicContact CZ-CB 4.3Å; F136-V178 HydrophobicContact CZ-CG2 3.72Å; F158-V178 CarbonylContact C-O 3.57Å; F158-V178 VanDerWaalsContact CA-O 3.3Å; F158-V178 WeakPolarHBondContact CA-O 3.22Å; E159-V178 HydrophobicContact CB-CG1 4.41Å; E159-V178 PolarHBondContact N-O 3.12Å; E159-V178 PolarHBondContact O-N 2.91Å; V161-V178 HydrophobicContact CG2-CB 3.8Å; V161-V178 HydrophobicContact CG2-CG1 3.93Å
179Y97.3Very high77.5Confident73 Ų7390.6 Ų90.629%0.28649%0.491SS..EExtended strand (participates in β ladder)trans-117.4111167-170.6-84.6000107.8L123 V135 L156 F158 L181L123-Y179 HydrophobicContact CD2-CD1 4.15Å; L123-Y179 HydrophobicContact CD2-CG 4.39Å; V135-Y179 PolarHBondContact N-O 3.2Å; V135-Y179 PolarHBondContact O-N 2.94Å; L156-Y179 WeakPolarHBondContact O-CE2 3.24Å; F158-Y179 HydrophobicContact CD2-CD2 4.04Å; F158-Y179 VanDerWaalsContact CE1-CB 3.44Å; F158-Y179 HydrophobicContact CE1-CG 4.49Å; F158-Y179 HydrophobicContact CE2-CD2 4.04Å; F158-Y179 HydrophobicContact CE2-CG 4.35Å; F158-Y179 HydrophobicContact CG-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CD2 4.45Å; F158-Y179 HydrophobicContact CZ-CG 4.3Å; Y179-L181 HydrophobicContact CD1-CD2 3.74Å; Y179-L181 HydrophobicContact CD1-CG 4.42Å; Y179-L181 HydrophobicContact CE1-CD2 3.73Å
180P94.6Very high77.1Confident68 Ų6891.5 Ų91.544%0.44249%0.492SS..EExtended strand (participates in β ladder)trans-70.3134.117230.3-31.8000109.2Y134Y134-P180 HydrophobicContact CD1-CB 4.34Å; Y134-P180 HydrophobicContact CE1-CB 4.33Å
181L93.9Very high76.6Confident10 Ų1089.8 Ų89.85%0.05247%0.472CS..  trans-96136.6170.5-64.9174.6000108.4A126 E127 V132 N133 V135 Y179 Q183A126-L181 HydrophobicContact CB-CD1 4.12Å; E127-L181 HydrophobicContact CB-CD1 4.01Å; E127-L181 HydrophobicContact CB-CD2 4.14Å; E127-L181 HydrophobicContact CG-CB 4.49Å; V132-L181 HydrophobicContact CG2-CD1 3.6Å; V132-L181 WeakPolarHBondContact O-CD1 3.44Å; N133-L181 PolarHBondContact O-N 2.96Å; V135-L181 HydrophobicContact CG2-CD1 3.81Å; V135-L181 HydrophobicContact CG2-CG 4.25Å; Y179-L181 HydrophobicContact CD1-CD2 3.74Å; Y179-L181 HydrophobicContact CD1-CG 4.42Å; Y179-L181 HydrophobicContact CE1-CD2 3.73Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 2.9Å
182D82.5Confident75.8Confident143 Ų14387.8 Ų87.877%0.76547%0.472SS*.  trans-7385.6175-72.9-34.7000108.8N184D182-N184 PolarHBondContact O-N 2.98Å; D182-N184 VanDerWaalsContact O-N 3.08Å
183Q65.1Low75Confident66 Ų6687.2 Ų87.231%0.30846%0.462SS..  trans-71.3107.5160.6-65.6-159.4800106.2K131 V132 N133 L181 L185K131-Q183 PolarHBondContact O-NE2 3.31Å; V132-Q183 PolarHBondContact O-NE2 3.39Å; N133-Q183 VanDerWaalsContact CG-CD 3.47Å; N133-Q183 VanDerWaalsContact N-NE2 3.16Å; N133-Q183 WeakPolarHBondContact OD1-CG 3.23Å; N133-Q183 PolarHBondContact OD1-NE2 2.88Å; N133-Q183 VanDerWaalsContact OD1-NE2 3.08Å; N133-Q183 PolarHBondContact OD1-OE1 2.98Å; N133-Q183 VanDerWaalsContact OD1-OE1 3.06Å; L181-Q183 VanDerWaalsContact C-N 3.27Å; L181-Q183 PolarHBondContact O-N 2.9Å; Q183-L185 PolarHBondContact O-N 3.04Å
184N52.8Low73.9Confident150 Ų15088.1 Ų88.180%0.80247%0.467SS*.  trans-22.1102.9170.4-132.735.6000108.3D182 S186D182-N184 PolarHBondContact O-N 2.98Å; D182-N184 VanDerWaalsContact O-N 3.08Å; N184-S186 PolarHBondContact O-N 3.31Å
185L45.5Very low72.6Confident150 Ų15092.9 Ų92.979%0.78549%0.492SS*.  trans-62.591.7174.9-70.2171000104.2Q183 D187Q183-L185 PolarHBondContact O-N 3.04Å; L185-D187 PolarHBondContact O-N 2.9Å
186S45.4Very low71Confident96 Ų9697.1 Ų97.167%0.67152%0.515SS*.  trans-69.970.8162.4-54.50000105.4N184 E188N184-S186 PolarHBondContact O-N 3.31Å; S186-E188 PolarHBondContact O-N 2.91Å
187D44.1Very low69Low143 Ų143102.9 Ų102.977%0.76555%0.547SS*.  trans-64.581.5152.7-78-64.2000105.5L185L185-D187 PolarHBondContact O-N 2.9Å
188E45.3Very low66.7Low183 Ų183111.5 Ų111.586%0.85559%0.593SS**  trans-83.6105157.9-76.6-168.799.600106.9S186S186-E188 PolarHBondContact O-N 2.91Å
189D36.2Very low63.9Low238 Ų238120 Ų120100%1.27364%0.637SS**  trans-71.30161.8-143.2-88.4000110.2

Retrieved 189 of 189 residues in 278.3 ms (Link to these results)