A0A096NMC1_PAPAN Loading...

Ornithine decarboxylase antizyme 2

AlphaFold DB (O95190), UniProt , Accession A0A096NMC1, Species PAPAN (Papio anubis, Olive baboon), 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 95.2 ms (Link to these results)