A0A061IIU6_CRIGR Loading...

Phosphatidylinositol-4,5-bisphosphate 4-phosphatase

Catalyzes the hydrolysis of phosphatidylinositol-4,5-bisphosphate (PtdIns-4,5-P2) to phosphatidylinositol-4-phosphate (PtdIns-4-P).

AlphaFold DB , UniProt , Accession A0A061IIU6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pip4p2, Length 257 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
1M40Very low39.9Very low240 Ų240140.4 Ų140.4100%1.18282%0.822SS**  081.60-58.4173-177.100105.6
2A37.1Very low39.3Very low102 Ų102142.4 Ų142.484%0.84383%0.825SS**  cis81.8139.340.100000113.3
3A41.2Very low38.8Very low97 Ų97143.7 Ų143.780%0.80283%0.826SS**  trans89.894-157.500000111.8
4D37.5Very low38.1Very low160 Ų160141.6 Ų141.686%0.85682%0.824SS**  cis75.8138.731.1-141.5-27.7000114.3
5G37.3Very low37.7Very low76 Ų76138.4 Ų138.478%0.78482%0.821SS**  trans163.663.2-165.600000114.1
6V48.9Very low37.2Very low113 Ų113136.5 Ų136.569%0.68582%0.816SS**  trans-100.8135167165.80000109.9
7D40.3Very low36.7Very low155 Ų155139.2 Ų139.283%0.82982%0.818SS**  trans-168.6121.9157.3-82.9-50000104.9
8E35.1Very low36.3Very low165 Ų165137.1 Ų137.177%0.77181%0.812SS**  cis68.788.631.3-159.7173.9119.400116
9R36.3Very low35.9Very low221 Ų221134.2 Ų134.283%0.83481%0.814SS**  trans-177110.1139.4-107.4173.1166.399.3-3.5114.6
10S43.7Very low35.7Very low114 Ų114134.8 Ų134.880%0.79781%0.812SS**  -80.4153.7124.5-59.20000106.2
11P41.4Very low35.6Very low101 Ų101134.6 Ų134.666%0.65681%0.811SS**  -163.4-171.774.738-12.4000118.2
12L33.3Very low35.5Very low165 Ų165129 Ų12986%0.86479%0.79SS**  trans91.4122.4151.2-60.8-177.5000123
13L32.3Very low35.9Very low159 Ų159129 Ų12983%0.83278%0.782SS**  trans-69.5151.4152.2-65.9149000111.3
14S29.4Very low35.4Very low114 Ų114130.9 Ų130.980%0.79778%0.784SS**  152.4148.9115.2-680000114.8
15A32.2Very low35.2Very low94 Ų94127.1 Ų127.178%0.77778%0.775SS**  trans68.1156156.900000118.9
16S29.1Very low35.6Very low108 Ų108129.1 Ų129.176%0.75577%0.774SS**  cis-173.6126.2-26.5-93.80000109.4
17H29Very low35.5Very low182 Ų182128.7 Ų128.784%0.84377%0.774SS**  trans-172.1109.8146.8-131.8-89.2000108
18S30Very low35Very low102 Ų102131.5 Ų131.571%0.71377%0.774SS**  69.410861.9-1640000113.3
19G28.9Very low34.8Very low82 Ų82131.6 Ų131.685%0.84578%0.779SS**  trans-167.478.718000000108.6
20N31.5Very low34.8Very low145 Ų145130 Ų13078%0.77578%0.781SS**  trans-99.7130.8-166-164.342.2000111.3
21V33.6Very low34Very low132 Ų132132.4 Ų132.480%0.878%0.78SS**  trans-142.6123.8162.5-175.20000110
22T37.8Very low33.5Very low121 Ų121132 Ų13274%0.74278%0.779SS**  trans-146131.8166.6-60.60000109.4
23P44.8Very low33.4Very low104 Ų104129.6 Ų129.668%0.67578%0.777SS**  trans-133.8161.8138.220.9-0.7000111.4
24T30.1Very low34Very low135 Ų135127.5 Ų127.583%0.82877%0.772SS**  cis-163.7150.3-14.8-950000108
25A34.8Very low34.2Very low82 Ų82133 Ų13368%0.67878%0.775SS**  trans-92.2-173.817600000111.3
26P44.1Very low34.6Very low118 Ų118133 Ų13377%0.76678%0.775SS**  cis-132.5-129.8-2.129.7-2.3000112.3
27P47.6Very low34.7Very low103 Ų103136.2 Ų136.267%0.66978%0.779SS**  -118.6-175.1-90.834.9-16.9000115.7
28Y29.7Very low35.6Very low215 Ų215134.4 Ų134.484%0.84378%0.775SS**  trans69.2111.7169.5-81.5-93.3000119
29L31Very low36.4Very low167 Ų167135 Ų13587%0.87478%0.776SS**  -164.8142.4100.5-104.4174.2000111
30Q36.7Very low37Very low186 Ų186136.8 Ų136.887%0.86977%0.773SS**  trans-117.5112.1176.2175.7175.8-11.700107
31E26.4Very low37.5Very low166 Ų166134.8 Ų134.878%0.77677%0.768SS**  trans-146.5154.8176.4-167.752.493.100110.9
32S30.5Very low37.8Very low92 Ų92139.3 Ų139.364%0.64377%0.772SS**  trans-67163.4-153.647.70000120.7
33S32Very low38.2Very low115 Ų115138.5 Ų138.580%0.80477%0.767SS**  trans108.7143.6138-133.10000118.3
34P44.4Very low38.2Very low115 Ų115137.7 Ų137.775%0.74777%0.769SS**  trans-99.3139.3-157.536.9-32.8000114.2
35R33.8Very low38.7Very low228 Ų228138.2 Ų138.286%0.8677%0.765SS**  trans-138.7109.3155.9-80.3-164.5165.5152.2-0.5112E37R35-E37 PolarHBondContact O-N 3.48Å
36A40.3Very low39.3Very low94 Ų94138.9 Ų138.978%0.77777%0.77SS**  trans-77.6108.5155.100000107.9L38A36-L38 HydrophobicContact CB-CD1 4.47Å
37E32.4Very low39Very low176 Ų176138 Ų13882%0.82277%0.767SS**  trans-94.797.2166-83.4-175.7116.400109.6R35R35-E37 PolarHBondContact O-N 3.48Å
38L46.3Very low39.4Very low145 Ų145139.3 Ų139.376%0.75978%0.776SS**PPolyproline II helixtrans-68.5151.7155.2-7977.8000108.6A36A36-L38 HydrophobicContact CB-CD1 4.47Å
39P48.2Very low39.9Very low115 Ų115132.4 Ų132.475%0.74777%0.77SS**PPolyproline II helixtrans-58.6146.8172.825.8-34.6000111.1
40P41.8Very low40.3Very low118 Ų118130.9 Ų130.977%0.76677%0.768SS**PPolyproline II helixtrans-63.3139.4-16823.6-34.2000112.5
41P41.2Very low40.9Very low104 Ų104127.3 Ų127.368%0.67576%0.764SS**PPolyproline II helixtrans-65139.7174.728-34000110.2T43P41-T43 VanDerWaalsContact C-N 3.26Å; P41-T43 HydrophobicContact CG-CG2 4.49Å; P41-T43 PolarHBondContact O-N 2.83Å
42Y39.6Very low42.2Very low227 Ų227123.3 Ų123.389%0.8977%0.767SS**  trans-70.383.1173.6-171.6-92.2000109.7A44Y42-A44 PolarHBondContact O-N 3.22Å
43T45.8Very low43.6Very low104 Ų104121 Ų12164%0.63875%0.749SS**  trans-72109.2174.743.80000109.6P41 I45P41-T43 VanDerWaalsContact C-N 3.26Å; P41-T43 HydrophobicContact CG-CG2 4.49Å; P41-T43 PolarHBondContact O-N 2.83Å; T43-I45 PolarHBondContact O-N 3.05Å
44A44.7Very low45.5Very low87 Ų87118.1 Ų118.172%0.71973%0.727SS**  trans-62.5108.6162.800000108.2Y42 A46Y42-A44 PolarHBondContact O-N 3.22Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.9Å
45I41.5Very low47Very low146 Ų146116.5 Ų116.575%0.74972%0.715SS**  trans-72.592178.9-56.3178.5000108.8T43 S47T43-I45 PolarHBondContact O-N 3.05Å; I45-S47 WeakPolarHBondContact CG2-OG 3.43Å
46A48.2Very low49.4Very low95 Ų95107.6 Ų107.679%0.78568%0.684SS**  trans-94.190.9157.600000108.2A44A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.9Å
47S37.8Very low51.4Low100 Ų100107.5 Ų107.570%0.69967%0.67SS**  trans-88126.7168.1-66.80000109.4I45I45-S47 WeakPolarHBondContact CG2-OG 3.43Å
48P54.3Low53.7Low131 Ų13199.2 Ų99.285%0.85163%0.632SS**  trans-83.9151.4-178.334.4-34.6000111.1
49G41.6Very low55.3Low70 Ų70102.1 Ų102.172%0.72263%0.633SS**SBendtrans135.218.1162.300000119.2
50T39.8Very low56.8Low135 Ų13599.2 Ų99.283%0.82861%0.613SS**SBendtrans-173.3133.8149.410.60000108.7G52T50-G52 PolarHBondContact O-N 2.71Å; T50-G52 VanDerWaalsContact O-N 3.17Å
51S47.7Very low58.7Low111 Ų11196 Ų9678%0.77659%0.593SS**  trans20.581.4167.8-54.30000114.9V53S51-V53 VanDerWaalsContact C-N 3.25Å; S51-V53 PolarHBondContact O-N 3.17Å
52G53.3Low60.7Low82 Ų8298.6 Ų98.685%0.84560%0.596SS**  trans-67.271.1-168.200000115T50 P54T50-G52 PolarHBondContact O-N 2.71Å; T50-G52 VanDerWaalsContact O-N 3.17Å; G52-P54 WeakPolarHBondContact O-CD 3.38Å
53V60.6Low62.7Low44 Ų4489.1 Ų89.127%0.26756%0.563SS.*  trans-71.9118.2170.4-177.40000107.8S51 V55 N66 D68S51-V53 VanDerWaalsContact C-N 3.25Å; S51-V53 PolarHBondContact O-N 3.17Å; V53-V55 PolarHBondContact O-N 2.82Å; V53-N66 HydrophobicContact CG1-CB 4.2Å; V53-D68 HydrophobicContact CG1-CB 4.42Å; V53-D68 WeakPolarHBondContact CG1-OD2 3.12Å; V53-D68 WeakPolarHBondContact CG2-OD1 3.37Å
54P71.5Confident64.3Low54 Ų5489.5 Ų89.535%0.35156%0.56SS.*  trans-67.5134.5175.223.3-26.2000109.5G52 L67 L71G52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-L67 HydrophobicContact CB-CD1 4.26Å; P54-L67 HydrophobicContact CG-CB 4.17Å; P54-L67 HydrophobicContact CG-CD1 4.29Å; P54-L67 WeakPolarHBondContact O-CB 3.44Å; P54-L67 WeakPolarHBondContact O-CG 3.18Å; P54-L67 PolarHBondContact O-N 3.24Å; P54-L67 VanDerWaalsContact O-N 3.1Å; P54-L71 HydrophobicContact CG-CD1 3.74Å; P54-L71 HydrophobicContact CG-CD2 3.63Å; P54-L71 HydrophobicContact CG-CG 3.95Å
55V76.8Confident66.1Low80 Ų8085.9 Ų85.949%0.48553%0.529SS..EExtended strand (participates in β ladder)trans-110.7144179.6-63.90000110.2V53 L64 I65 N66V53-V55 PolarHBondContact O-N 2.82Å; V55-L64 HydrophobicContact CB-CD2 4.35Å; V55-L64 HydrophobicContact CG2-CD2 4.18Å; V55-I65 WeakPolarHBondContact CA-O 3.13Å; V55-N66 WeakPolarHBondContact CG1-OD1 3.36Å
56I83.4Confident68Low42 Ų4283.7 Ų83.722%0.21552%0.519CS..EExtended strand (participates in β ladder)trans-132.2135.1176.2-169.7171.8000110.8I65 L67 T85I56-I65 HydrophobicContact CG2-CB 4.03Å; I56-I65 PolarHBondContact N-O 3.38Å; I56-I65 WeakPolarHBondContact O-CB 3.15Å; I56-I65 PolarHBondContact O-N 3.44Å; I56-L67 HydrophobicContact CB-CD1 4.41Å; I56-L67 HydrophobicContact CG2-CD1 4.14Å; I56-L67 HydrophobicContact CG2-CD2 3.77Å; I56-L67 HydrophobicContact CG2-CG 4.13Å; I56-T85 HydrophobicContact CD1-CG2 4.23Å
57N82.4Confident69.4Low91 Ų9179.5 Ų79.549%0.48748%0.483SS..EExtended strand (participates in β ladder)trans-76.1135.9174.9-63.281000110.9R59 Q62N57-R59 PolarHBondContact O-N 2.9Å; N57-Q62 PolarHBondContact ND2-O 3.1Å
58C81.3Confident70.9Confident2 Ų279.4 Ų79.41%0.01448%0.475CS..  trans-65.6128.3173.4-1750000111.2V60 Q62 S63 I65 C78C58-V60 PolarHBondContact O-N 2.9Å; C58-V60 PolarHBondContact SG-N 2.84Å; C58-V60 VanDerWaalsContact SG-N 3.44Å; C58-Q62 WeakPolarHBondContact O-CA 3.33Å; C58-Q62 PolarHBondContact O-N 3.41Å; C58-S63 PolarHBondContact N-O 3.26Å; C58-I65 HydrophobicContact CB-CD1 3.98Å; C58-C78 HydrophobicContact CB-CB 4.1Å
59R80.2Confident71.4Confident206 Ų20677.1 Ų77.178%0.77747%0.474SS*.THydrogen-bonded Turntrans-65.8-7.1177.1-165.9168.6179.1174.22.4114.7N57N57-R59 PolarHBondContact O-N 2.9Å
60V80.3Confident72.6Confident55 Ų5579.2 Ų79.233%0.33346%0.464SS..THydrogen-bonded Turntrans-102-53.9-179.9-175.60000112.1C58 E83 N102C58-V60 PolarHBondContact O-N 2.9Å; C58-V60 PolarHBondContact SG-N 2.84Å; C58-V60 VanDerWaalsContact SG-N 3.44Å; V60-E83 HydrophobicContact CG2-CB 3.91Å; V60-E83 HydrophobicContact CG2-CG 4.22Å; V60-N102 HydrophobicContact CG2-CB 4.4Å
61C80.7Confident73.8Confident51 Ų5176.5 Ų76.535%0.34544%0.444SS..THydrogen-bonded Turntrans-114.36-174.456.90000113.8S63 C81C61-S63 PolarHBondContact O-N 2.84Å; C61-S63 PolarHBondContact SG-OG 3.01Å; C61-C81 HydrophobicContact CB-CB 4.26Å; C61-C81 PolarHBondContact SG-SG 3.03Å
62Q83.2Confident74.4Confident157 Ų15779.3 Ų79.373%0.73444%0.444SS*.  trans58.9-5.3179.8-59.3179.36.200116.6N57 C58N57-Q62 PolarHBondContact ND2-O 3.1Å; C58-Q62 WeakPolarHBondContact O-CA 3.33Å; C58-Q62 PolarHBondContact O-N 3.41Å
63S81.4Confident75.4Confident28 Ų2880.7 Ų80.720%0.19643%0.429CS..  trans-55139.7175.966.50000112.2C58 C61 C78C58-S63 PolarHBondContact N-O 3.26Å; C61-S63 PolarHBondContact O-N 2.84Å; C61-S63 PolarHBondContact SG-OG 3.01Å; S63-C78 PolarHBondContact OG-SG 3.2Å; S63-C78 VanDerWaalsContact OG-SG 3.33Å
64L80.4Confident76.2Confident112 Ų11282.2 Ų82.259%0.58643%0.433SS*.EExtended strand (participates in β ladder)trans-65135.9174.6-67.9144.9000110.7V55V55-L64 HydrophobicContact CB-CD2 4.35Å; V55-L64 HydrophobicContact CG2-CD2 4.18Å
65I82.4Confident76.6Confident11 Ų1181 Ų816%0.05643%0.425CS..EExtended strand (participates in β ladder)trans-121115.4175.2-54.1168.9000107.7V55 I56 C58 L67 V76 C78V55-I65 WeakPolarHBondContact CA-O 3.13Å; I56-I65 HydrophobicContact CG2-CB 4.03Å; I56-I65 PolarHBondContact N-O 3.38Å; I56-I65 WeakPolarHBondContact O-CB 3.15Å; I56-I65 PolarHBondContact O-N 3.44Å; C58-I65 HydrophobicContact CB-CD1 3.98Å; I65-L67 HydrophobicContact CG2-CD2 4.45Å; I65-V76 HydrophobicContact CG2-CG2 4.27Å; I65-C78 HydrophobicContact CD1-CB 3.81Å; I65-C78 HydrophobicContact CG1-CB 4.48Å
66N80.9Confident77Confident101 Ų10177.5 Ų77.554%0.5440%0.403SS..EExtended strand (participates in β ladder)trans-72.6131.3172.5-60.1-25.2000109.8V53 V55V53-N66 HydrophobicContact CG1-CB 4.2Å; V55-N66 WeakPolarHBondContact CG1-OD1 3.36Å
67L76.7Confident77.1Confident6 Ų683 Ų833%0.03143%0.425CS..  trans-95.418.1-175.8-59.8179000114.4P54 I56 I65 G69 K70 V76 I87P54-L67 HydrophobicContact CB-CD1 4.26Å; P54-L67 HydrophobicContact CG-CB 4.17Å; P54-L67 HydrophobicContact CG-CD1 4.29Å; P54-L67 WeakPolarHBondContact O-CB 3.44Å; P54-L67 WeakPolarHBondContact O-CG 3.18Å; P54-L67 PolarHBondContact O-N 3.24Å; P54-L67 VanDerWaalsContact O-N 3.1Å; I56-L67 HydrophobicContact CB-CD1 4.41Å; I56-L67 HydrophobicContact CG2-CD1 4.14Å; I56-L67 HydrophobicContact CG2-CD2 3.77Å; I56-L67 HydrophobicContact CG2-CG 4.13Å; I65-L67 HydrophobicContact CG2-CD2 4.45Å; L67-G69 PolarHBondContact O-N 3.33Å; L67-K70 PolarHBondContact O-N 3.36Å; L67-V76 HydrophobicContact CD2-CG1 4.29Å; L67-V76 HydrophobicContact CD2-CG2 4Å; L67-I87 HydrophobicContact CD1-CD1 4.34Å; L67-I87 HydrophobicContact CD1-CG1 4.39Å; L67-I87 HydrophobicContact CD1-CG2 3.93Å; L67-I87 HydrophobicContact CD2-CD1 3.52Å; L67-I87 HydrophobicContact CD2-CG1 4.04Å
68D70.1Confident77.2Confident99 Ų9978.7 Ų78.753%0.52940%0.403SS..THydrogen-bonded Turntrans-41.5119.6176.2-81-67.3000112.8V53 K70V53-D68 HydrophobicContact CG1-CB 4.42Å; V53-D68 WeakPolarHBondContact CG1-OD2 3.12Å; V53-D68 WeakPolarHBondContact CG2-OD1 3.37Å; D68-K70 PolarHBondContact O-N 3.24Å
69G64.8Low77.4Confident82 Ų8284 Ų8485%0.84544%0.435SS*.THydrogen-bonded Turntrans63.4-5.8-179.600000116.4L67L67-G69 PolarHBondContact O-N 3.33Å
70K66.1Low77.6Confident114 Ų11479 Ų7950%0.49643%0.427SS..THydrogen-bonded Turntrans-102.53.1-172-70.5170.7-172.6163.20114L67 D68 H72 Q73 V76L67-K70 PolarHBondContact O-N 3.36Å; D68-K70 PolarHBondContact O-N 3.24Å; K70-H72 PolarHBondContact O-N 3.47Å; K70-H72 VanDerWaalsContact O-N 3.11Å; K70-Q73 WeakPolarHBondContact O-CB 3.46Å; K70-Q73 PolarHBondContact O-N 3.21Å; K70-V76 HydrophobicContact CB-CG1 3.97Å; K70-V76 HydrophobicContact CD-CG1 4.09Å
71L64.9Low77.6Confident79 Ų7978.1 Ų78.141%0.41442%0.423SS..THydrogen-bonded Turntrans-57.7-20.8177.2-83.8164.4000115.4P54 K88P54-L71 HydrophobicContact CG-CD1 3.74Å; P54-L71 HydrophobicContact CG-CD2 3.63Å; P54-L71 HydrophobicContact CG-CG 3.95Å; L71-K88 WeakPolarHBondContact O-CE 3.23Å; L71-K88 PolarHBondContact O-NZ 2.96Å
72H61.9Low77.7Confident170 Ų17081.5 Ų81.579%0.78744%0.438SS*.THydrogen-bonded Turntrans-78.8-20.3172.2-75.6-90.1000113.2K70K70-H72 PolarHBondContact O-N 3.47Å; K70-H72 VanDerWaalsContact O-N 3.11Å
73Q73.9Confident77.8Confident110 Ų11075.2 Ų75.251%0.51441%0.409SS..  trans-81.2139.9-179.7-153.3172.124.600110.9K70 V75K70-Q73 WeakPolarHBondContact O-CB 3.46Å; K70-Q73 PolarHBondContact O-N 3.21Å; Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 VanDerWaalsContact CG-O 3.29Å; Q73-V75 WeakPolarHBondContact CG-O 3.43Å; Q73-V75 PolarHBondContact OE1-O 2.92Å
74H76.4Confident78Confident76 Ų7674.9 Ų74.935%0.35241%0.407SS..SBendtrans-79.7-19.1-179.7-65.657.5000112.8I87 K88 Y96H74-I87 PolarHBondContact O-N 3.25Å; H74-K88 HydrophobicContact CB-CB 4.38Å; H74-K88 PolarHBondContact O-N 2.91Å; H74-Y96 WeakPolarHBondContact CB-OH 3.48Å
75V80.1Confident78Confident30 Ų3069.8 Ų69.818%0.18238%0.381CS..EExtended strand (participates in β ladder)trans-143133.3-174.8-179.30000108.8Q73 A84 Y96 L104Q73-V75 VanDerWaalsContact C-N 3.34Å; Q73-V75 VanDerWaalsContact CG-O 3.29Å; Q73-V75 WeakPolarHBondContact CG-O 3.43Å; Q73-V75 PolarHBondContact OE1-O 2.92Å; V75-A84 HydrophobicContact CG1-CB 3.76Å; V75-Y96 HydrophobicContact CG2-CE1 3.55Å; V75-Y96 WeakPolarHBondContact CG2-OH 3.45Å; V75-L104 HydrophobicContact CG1-CD2 3.81Å; V75-L104 HydrophobicContact CG2-CD2 4.26Å
76V85.8Confident78Confident6 Ų671.3 Ų71.34%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-115158.3167.8-74.70000111.3I65 L67 K70 A84 T85 I87I65-V76 HydrophobicContact CG2-CG2 4.27Å; L67-V76 HydrophobicContact CD2-CG1 4.29Å; L67-V76 HydrophobicContact CD2-CG2 4Å; K70-V76 HydrophobicContact CB-CG1 3.97Å; K70-V76 HydrophobicContact CD-CG1 4.09Å; V76-A84 CarbonylContact O-C 3.5Å; V76-A84 WeakPolarHBondContact O-CA 3.36Å; V76-T85 PolarHBondContact N-O 2.92Å; V76-T85 PolarHBondContact O-N 2.88Å; V76-I87 HydrophobicContact CB-CD1 3.98Å; V76-I87 HydrophobicContact CG1-CD1 3.41Å; V76-I87 VanDerWaalsContact CG1-CD1 3.41Å; V76-I87 HydrophobicContact CG2-CD1 3.6Å; V76-I87 HydrophobicContact CG2-CG1 3.86Å
77K85.7Confident78Confident156 Ų15668.5 Ų68.568%0.67838%0.376SS*.EExtended strand (participates in β ladder)trans-93.7136.5168.5-60.3179.7-175.3176.60109
78C84.1Confident78Confident1 Ų172.3 Ų72.31%0.00739%0.392CS..  trans-65.6136.6168.8178.60000110.2C58 S63 I65 V80 C81 N82 E83C58-C78 HydrophobicContact CB-CB 4.1Å; S63-C78 PolarHBondContact OG-SG 3.2Å; S63-C78 VanDerWaalsContact OG-SG 3.33Å; I65-C78 HydrophobicContact CD1-CB 3.81Å; I65-C78 HydrophobicContact CG1-CB 4.48Å; C78-V80 VanDerWaalsContact C-N 3.35Å; C78-V80 PolarHBondContact SG-N 3.22Å; C78-V80 VanDerWaalsContact SG-N 3.36Å; C78-C81 VanDerWaalsContact SG-SG 3.68Å; C78-N82 WeakPolarHBondContact O-CA 3.11Å; C78-N82 PolarHBondContact O-N 3.13Å; C78-E83 PolarHBondContact N-O 2.73Å
79T85.1Confident78.3Confident114 Ų11473.2 Ų73.270%0.69940%0.402SS*.THydrogen-bonded Turntrans-72.1-27.4175.846.50000113.2
80V84.3Confident78.9Confident100 Ų10071.5 Ų71.561%0.60638%0.375SS*.THydrogen-bonded Turntrans-82-53.4-177.3-1770000111.8C78C78-V80 VanDerWaalsContact C-N 3.35Å; C78-V80 PolarHBondContact SG-N 3.22Å; C78-V80 VanDerWaalsContact SG-N 3.36Å
81C81.4Confident79.6Confident38 Ų3868.3 Ų68.326%0.25737%0.366SS..THydrogen-bonded Turntrans-104.71.9-17671.10000114.7C61 C78 E83C61-C81 HydrophobicContact CB-CB 4.26Å; C61-C81 PolarHBondContact SG-SG 3.03Å; C78-C81 VanDerWaalsContact SG-SG 3.68Å; C81-E83 PolarHBondContact O-N 2.83Å
82N82.7Confident80.3Confident121 Ų12171.7 Ų71.765%0.64739%0.39SS*.  trans57.73.3-176.9-72.1-59.5000116.5C78C78-N82 WeakPolarHBondContact O-CA 3.11Å; C78-N82 PolarHBondContact O-N 3.13Å
83E85.5Confident81.1Confident26 Ų2665 Ų6512%0.12137%0.368CS..  trans-83.1146.7179.9-72.3-65.7179.200113.4V60 C78 C81 N102 R118V60-E83 HydrophobicContact CG2-CB 3.91Å; V60-E83 HydrophobicContact CG2-CG 4.22Å; C78-E83 PolarHBondContact N-O 2.73Å; C81-E83 PolarHBondContact O-N 2.83Å; E83-N102 HydrophobicContact CG-CB 4.39Å; E83-R118 IonicContact OE1-CZ 3.39Å; E83-R118 IonicContact OE1-NH1 3.17Å; E83-R118 PolarHBondContact OE1-NH1 2.87Å; E83-R118 IonicContact OE1-NH2 2.7Å; E83-R118 PolarHBondContact OE1-NH2 3.2Å; E83-R118 IonicContact OE2-NH2 3.88Å
84A84.3Confident81.7Confident20 Ų2065.1 Ų65.117%0.16537%0.366CS..EExtended strand (participates in β ladder)trans-77.3134.3-17900000112.2V75 V76 R98 L104V75-A84 HydrophobicContact CG1-CB 3.76Å; V76-A84 CarbonylContact O-C 3.5Å; V76-A84 WeakPolarHBondContact O-CA 3.36Å; A84-R98 PolarHBondContact O-NH2 3.33Å; A84-L104 HydrophobicContact CB-CB 3.83Å; A84-L104 HydrophobicContact CB-CD2 3.96Å
85T81.9Confident82.1Confident6 Ų664.1 Ų64.14%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-125.6126.8177.6-53.70000108.5I56 V76I56-T85 HydrophobicContact CD1-CG2 4.23Å; V76-T85 PolarHBondContact N-O 2.92Å; V76-T85 PolarHBondContact O-N 2.88Å
86P81.3Confident82.4Confident42 Ų4264.9 Ų64.927%0.27336%0.361SS..EExtended strand (participates in β ladder)trans-72.7139.9176.131.5-33.1000110.2Y96 L104P86-Y96 HydrophobicContact CB-CD2 3.91Å; P86-Y96 HydrophobicContact CB-CE2 3.88Å; P86-Y96 HydrophobicContact CB-CG 4.32Å; P86-L104 HydrophobicContact CB-CD2 4.43Å; P86-L104 HydrophobicContact CG-CD2 4.5Å
87I80.5Confident82.5Confident42 Ų4265.9 Ų65.922%0.21537%0.367CS..  trans-106-38.6174.4-58.3159000110.4L67 H74 V76L67-I87 HydrophobicContact CD1-CD1 4.34Å; L67-I87 HydrophobicContact CD1-CG1 4.39Å; L67-I87 HydrophobicContact CD1-CG2 3.93Å; L67-I87 HydrophobicContact CD2-CD1 3.52Å; L67-I87 HydrophobicContact CD2-CG1 4.04Å; H74-I87 PolarHBondContact O-N 3.25Å; V76-I87 HydrophobicContact CB-CD1 3.98Å; V76-I87 HydrophobicContact CG1-CD1 3.41Å; V76-I87 VanDerWaalsContact CG1-CD1 3.41Å; V76-I87 HydrophobicContact CG2-CD1 3.6Å; V76-I87 HydrophobicContact CG2-CG1 3.86Å
88K78.1Confident82.5Confident87 Ų8761.4 Ų61.438%0.37835%0.346SS..SBendtrans-108.1162.8179.8-64.6-171.1177.4178.20110.6L71 H74 Y96L71-K88 WeakPolarHBondContact O-CE 3.23Å; L71-K88 PolarHBondContact O-NZ 2.96Å; H74-K88 HydrophobicContact CB-CB 4.38Å; H74-K88 PolarHBondContact O-N 2.91Å; K88-Y96 WeakPolarHBondContact O-CE2 3.43Å
89T75Confident82.6Confident118 Ų11861.5 Ų61.572%0.72435%0.347SS*.PPolyproline II helixtrans-53.6149.4162.345.70000110.1
90P78.3Confident82.6Confident45 Ų4560.4 Ų60.429%0.29234%0.341SS..PPolyproline II helixtrans-63.4147.1176.728.4-34.6000109.8K94 Y96P90-K94 VanDerWaalsContact CB-O 3.29Å; P90-K94 WeakPolarHBondContact CB-O 3.35Å; P90-K94 VanDerWaalsContact CG-O 3.23Å; P90-K94 WeakPolarHBondContact CG-O 3.43Å; P90-Y96 VanDerWaalsContact CA-CE2 3.46Å; P90-Y96 HydrophobicContact CB-CD2 3.8Å; P90-Y96 HydrophobicContact CB-CE2 3.62Å; P90-Y96 HydrophobicContact CB-CG 4.48Å; P90-Y96 HydrophobicContact CG-CD2 4.16Å; P90-Y96 HydrophobicContact CG-CE2 4.29Å
91P81.4Confident82.5Confident47 Ų4757.2 Ų57.231%0.30532%0.323SS..PPolyproline II helixtrans-63.1152.7174.828.9-35.7000110.6G93 K94P91-G93 PolarHBondContact O-N 3.02Å; P91-K94 HydrophobicContact CG-CB 4.48Å; P91-K94 HydrophobicContact CG-CD 4.12Å; P91-K94 WeakPolarHBondContact O-CB 2.96Å; P91-K94 PolarHBondContact O-N 3.15Å
92T78.8Confident82.7Confident150 Ų15058.8 Ų58.892%0.9233%0.329SS*.THydrogen-bonded Turntrans-47.2133-170.9-37.80000113.1K94T92-K94 VanDerWaalsContact C-N 3.3Å; T92-K94 PolarHBondContact O-N 2.92Å
93G79.5Confident82.9Confident30 Ų3054 Ų5431%0.30930%0.304SS..THydrogen-bonded Turntrans76.18.8-177.200000115.3P91 D109P91-G93 PolarHBondContact O-N 3.02Å; G93-D109 WeakPolarHBondContact CA-OD2 3.29Å; G93-D109 PolarHBondContact O-N 2.99Å
94K85.1Confident83Confident113 Ų11354 Ų5449%0.49131%0.305SS..EExtended strand (participates in β ladder)trans-124.1159.1175.5-55-171.9-166.2170.80111.5P90 P91 T92 I106 C107P90-K94 VanDerWaalsContact CB-O 3.29Å; P90-K94 WeakPolarHBondContact CB-O 3.35Å; P90-K94 VanDerWaalsContact CG-O 3.23Å; P90-K94 WeakPolarHBondContact CG-O 3.43Å; P91-K94 HydrophobicContact CG-CB 4.48Å; P91-K94 HydrophobicContact CG-CD 4.12Å; P91-K94 WeakPolarHBondContact O-CB 2.96Å; P91-K94 PolarHBondContact O-N 3.15Å; T92-K94 VanDerWaalsContact C-N 3.3Å; T92-K94 PolarHBondContact O-N 2.92Å; K94-I106 HydrophobicContact CB-CG2 3.99Å; K94-I106 HydrophobicContact CD-CG2 3.88Å; K94-I106 HydrophobicContact CG-CG2 4.49Å; K94-C107 CarbonylContact C-O 3.42Å; K94-C107 WeakPolarHBondContact CA-O 3.29Å; K94-C107 WeakPolarHBondContact CB-O 3.43Å
95K85.6Confident83.1Confident54 Ų5453.9 Ų53.924%0.23530%0.302CS..EExtended strand (participates in β ladder)trans-136.2145.7175.457.9-174.5171.3-175.30111V97 C107 K108 D109 S111 L127K95-V97 HydrophobicContact CG-CG2 4.4Å; K95-C107 HydrophobicContact CG-CB 4.48Å; K95-C107 PolarHBondContact N-O 3.02Å; K95-C107 PolarHBondContact O-N 2.87Å; K95-K108 VanDerWaalsContact CE-O 3.22Å; K95-K108 WeakPolarHBondContact CE-O 3.36Å; K95-D109 WeakPolarHBondContact CE-O 3.47Å; K95-D109 PolarHBondContact NZ-O 3.03Å; K95-S111 PolarHBondContact NZ-O 3.46Å; K95-L127 HydrophobicContact CD-CD2 4.23Å
96Y86.6Confident83.4Confident47 Ų4758 Ų5818%0.18432%0.323CS..EExtended strand (participates in β ladder)trans-83.4129170.4-69.1-62.1000110.2H74 V75 P86 K88 P90 L104 L105 I106H74-Y96 WeakPolarHBondContact CB-OH 3.48Å; V75-Y96 HydrophobicContact CG2-CE1 3.55Å; V75-Y96 WeakPolarHBondContact CG2-OH 3.45Å; P86-Y96 HydrophobicContact CB-CD2 3.91Å; P86-Y96 HydrophobicContact CB-CE2 3.88Å; P86-Y96 HydrophobicContact CB-CG 4.32Å; K88-Y96 WeakPolarHBondContact O-CE2 3.43Å; P90-Y96 VanDerWaalsContact CA-CE2 3.46Å; P90-Y96 HydrophobicContact CB-CD2 3.8Å; P90-Y96 HydrophobicContact CB-CE2 3.62Å; P90-Y96 HydrophobicContact CB-CG 4.48Å; P90-Y96 HydrophobicContact CG-CD2 4.16Å; P90-Y96 HydrophobicContact CG-CE2 4.29Å; Y96-L104 HydrophobicContact CD1-CD1 4.36Å; Y96-L104 HydrophobicContact CD1-CD2 4.22Å; Y96-L104 HydrophobicContact CD1-CG 4.28Å; Y96-L105 WeakPolarHBondContact CA-O 3.33Å; Y96-I106 HydrophobicContact CD1-CG1 3.96Å; Y96-I106 HydrophobicContact CE1-CD1 3.77Å; Y96-I106 HydrophobicContact CE1-CG1 3.68Å
97V86.8Confident83.7Confident27 Ų2756.3 Ų56.316%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-128.9130.9172.9174.20000109.2K95 L105 I125 L127K95-V97 HydrophobicContact CG-CG2 4.4Å; V97-L105 PolarHBondContact N-O 2.83Å; V97-L105 WeakPolarHBondContact O-CA 3.29Å; V97-L105 WeakPolarHBondContact O-CB 3.19Å; V97-L105 PolarHBondContact O-N 3.2Å; V97-I125 HydrophobicContact CG1-CD1 4.27Å; V97-L127 HydrophobicContact CG2-CD2 3.58Å; V97-L127 HydrophobicContact CG2-CG 4.33Å
98R86.5Confident83.9Confident62 Ų6260.2 Ų60.223%0.23433%0.327CS..EExtended strand (participates in β ladder)trans-98.4123.6178.7-165.5164.4-119.2-96.4-5.4109.2A84 N102A84-R98 PolarHBondContact O-NH2 3.33Å; R98-N102 VanDerWaalsContact NH1-CB 3.32Å; R98-N102 PolarHBondContact NH1-O 2.92Å; R98-N102 VanDerWaalsContact NH1-O 3.15Å; R98-N102 PolarHBondContact NH1-OD1 3.23Å; R98-N102 PolarHBondContact NH2-O 3.29Å
99C86.3Confident84Confident3 Ų359.9 Ų59.92%0.0233%0.329CS..  trans-70.5150.4173.3-169.30000110C101 N102 C103 C116 I125C99-C101 PolarHBondContact O-N 3.11Å; C99-C101 PolarHBondContact SG-SG 3.2Å; C99-N102 WeakPolarHBondContact O-CA 3.49Å; C99-N102 PolarHBondContact O-N 2.88Å; C99-C103 HydrophobicContact CB-CB 4.23Å; C99-C103 WeakPolarHBondContact CB-O 3.35Å; C99-C103 PolarHBondContact N-O 3.03Å; C99-C116 HydrophobicContact CB-CB 4.45Å; C99-I125 HydrophobicContact CB-CD1 3.93Å
100P84.9Confident84.1Confident91 Ų9158.8 Ų58.859%0.59132%0.323SS*.THydrogen-bonded Turntrans-55.1-19.7171.5-29.936.8000115N102P100-N102 PolarHBondContact O-N 2.75Å
101C83.4Confident84.1Confident32 Ų3258.2 Ų58.222%0.21632%0.32CS..THydrogen-bonded Turntrans-83.818.9171.472.30000114C99 C103 C116 R118 C121C99-C101 PolarHBondContact O-N 3.11Å; C99-C101 PolarHBondContact SG-SG 3.2Å; C101-C103 PolarHBondContact O-N 2.7Å; C101-C103 VanDerWaalsContact O-N 3.08Å; C101-C116 PolarHBondContact SG-SG 3.21Å; C101-R118 PolarHBondContact O-NH1 2.89Å; C101-C121 HydrophobicContact CB-CB 4.05Å
102N84.6Confident84.1Confident71 Ų7165.2 Ų65.238%0.3834%0.34SS..SBendtrans65.6-6.7-176.4-72.8-43.8000117.7V60 E83 R98 C99 P100 L104V60-N102 HydrophobicContact CG2-CB 4.4Å; E83-N102 HydrophobicContact CG-CB 4.39Å; R98-N102 VanDerWaalsContact NH1-CB 3.32Å; R98-N102 PolarHBondContact NH1-O 2.92Å; R98-N102 VanDerWaalsContact NH1-O 3.15Å; R98-N102 PolarHBondContact NH1-OD1 3.23Å; R98-N102 PolarHBondContact NH2-O 3.29Å; C99-N102 WeakPolarHBondContact O-CA 3.49Å; C99-N102 PolarHBondContact O-N 2.88Å; P100-N102 PolarHBondContact O-N 2.75Å; N102-L104 PolarHBondContact O-N 3.34Å
103C86.6Confident84.4Confident20 Ų2066 Ų6614%0.13533%0.326CS..  trans-61.5122.3174.6-175.60000111.9C99 C101C99-C103 HydrophobicContact CB-CB 4.23Å; C99-C103 WeakPolarHBondContact CB-O 3.35Å; C99-C103 PolarHBondContact N-O 3.03Å; C101-C103 PolarHBondContact O-N 2.7Å; C101-C103 VanDerWaalsContact O-N 3.08Å
104L87.4Confident84.8Confident27 Ų2766.8 Ų66.814%0.14132%0.323CS..EExtended strand (participates in β ladder)trans-81.7125.8173.5-172.270.9000110.4V75 A84 P86 Y96 N102V75-L104 HydrophobicContact CG1-CD2 3.81Å; V75-L104 HydrophobicContact CG2-CD2 4.26Å; A84-L104 HydrophobicContact CB-CB 3.83Å; A84-L104 HydrophobicContact CB-CD2 3.96Å; P86-L104 HydrophobicContact CB-CD2 4.43Å; P86-L104 HydrophobicContact CG-CD2 4.5Å; Y96-L104 HydrophobicContact CD1-CD1 4.36Å; Y96-L104 HydrophobicContact CD1-CD2 4.22Å; Y96-L104 HydrophobicContact CD1-CG 4.28Å; N102-L104 PolarHBondContact O-N 3.34Å
105L87.9Confident85Confident17 Ų1763.2 Ų63.29%0.08932%0.319CS..EExtended strand (participates in β ladder)trans-115.8146.5179.6-54.7177.1000110.3Y96 V97 I114 P117 I125Y96-L105 WeakPolarHBondContact CA-O 3.33Å; V97-L105 PolarHBondContact N-O 2.83Å; V97-L105 WeakPolarHBondContact O-CA 3.29Å; V97-L105 WeakPolarHBondContact O-CB 3.19Å; V97-L105 PolarHBondContact O-N 3.2Å; L105-I114 HydrophobicContact CD1-CG1 4.14Å; L105-I114 HydrophobicContact CD1-CG2 4.34Å; L105-P117 VanDerWaalsContact CD2-CD 3.49Å; L105-P117 HydrophobicContact CD2-CG 4.1Å; L105-I125 HydrophobicContact CD1-CD1 4.25Å
106I88.1Confident85.2Confident93 Ų9360.9 Ų60.948%0.47731%0.309SS..EExtended strand (participates in β ladder)trans-108.1120.4170.6-46.5-173.6000106.8K94 Y96K94-I106 HydrophobicContact CB-CG2 3.99Å; K94-I106 HydrophobicContact CD-CG2 3.88Å; K94-I106 HydrophobicContact CG-CG2 4.49Å; Y96-I106 HydrophobicContact CD1-CG1 3.96Å; Y96-I106 HydrophobicContact CE1-CD1 3.77Å; Y96-I106 HydrophobicContact CE1-CG1 3.68Å
107C86.7Confident85.2Confident6 Ų663.3 Ų63.34%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-122.5158.8-179.5-55.40000110K94 K95K94-C107 CarbonylContact C-O 3.42Å; K94-C107 WeakPolarHBondContact CA-O 3.29Å; K94-C107 WeakPolarHBondContact CB-O 3.43Å; K95-C107 HydrophobicContact CG-CB 4.48Å; K95-C107 PolarHBondContact N-O 3.02Å; K95-C107 PolarHBondContact O-N 2.87Å
108K84Confident85.2Confident125 Ų12566.6 Ų66.654%0.54334%0.34SS..EExtended strand (participates in β ladder)trans-65.4145166.5-174.7169.1-179.3176.50108.6K95 T110 S111K95-K108 VanDerWaalsContact CE-O 3.22Å; K95-K108 WeakPolarHBondContact CE-O 3.36Å; K108-T110 WeakPolarHBondContact CD-OG1 3.14Å; K108-T110 WeakPolarHBondContact CE-OG1 3.4Å; K108-T110 PolarHBondContact O-N 3.17Å; K108-S111 WeakPolarHBondContact CB-OG 3.46Å; K108-S111 PolarHBondContact N-OG 2.7Å; K108-S111 WeakPolarHBondContact O-CB 3.5Å; K108-S111 PolarHBondContact O-N 3.08Å; K108-S111 PolarHBondContact O-OG 2.88Å
109D81.3Confident85Confident79 Ų7967.8 Ų67.842%0.42236%0.356SS..THydrogen-bonded Turntrans-48.7-43.217353.12.9000113.1G93 K95 S111G93-D109 WeakPolarHBondContact CA-OD2 3.29Å; G93-D109 PolarHBondContact O-N 2.99Å; K95-D109 WeakPolarHBondContact CE-O 3.47Å; K95-D109 PolarHBondContact NZ-O 3.03Å; D109-S111 VanDerWaalsContact C-N 3.32Å; D109-S111 PolarHBondContact O-N 3.49Å
110T77.3Confident84.9Confident95 Ų9575.2 Ų75.258%0.58340%0.395SS*.THydrogen-bonded Turntrans-78.7-3.8176.965.30000115K108 R112K108-T110 WeakPolarHBondContact CD-OG1 3.14Å; K108-T110 WeakPolarHBondContact CE-OG1 3.4Å; K108-T110 PolarHBondContact O-N 3.17Å; T110-R112 PolarHBondContact O-N 2.8Å; T110-R112 VanDerWaalsContact O-N 3.1Å
111S77.4Confident84.9Confident34 Ų3472.6 Ų72.624%0.23838%0.379CS..  trans-64.2113.7176.6-66.20000110.7K95 K108 D109 L127K95-S111 PolarHBondContact NZ-O 3.46Å; K108-S111 WeakPolarHBondContact CB-OG 3.46Å; K108-S111 PolarHBondContact N-OG 2.7Å; K108-S111 WeakPolarHBondContact O-CB 3.5Å; K108-S111 PolarHBondContact O-N 3.08Å; K108-S111 PolarHBondContact O-OG 2.88Å; D109-S111 VanDerWaalsContact C-N 3.32Å; D109-S111 PolarHBondContact O-N 3.49Å; S111-L127 WeakPolarHBondContact O-CB 3.39Å
112R81.1Confident85Confident193 Ų19380.1 Ų80.173%0.72840%0.402SS*.  trans-85.2-22.1176.1-61-176.9-179.1-172.4-1.6113.6T110 N126 L127T110-R112 PolarHBondContact O-N 2.8Å; T110-R112 VanDerWaalsContact O-N 3.1Å; R112-N126 CarbonylContact O-C 3.59Å; R112-N126 WeakPolarHBondContact O-CA 3.22Å; R112-L127 PolarHBondContact O-N 3.47Å
113R84.8Confident85.1Confident166 Ų16684 Ų8463%0.62641%0.412SS*.EExtended strand (participates in β ladder)trans-146.2129.6-174.6-164.8177.1-165-128.60.4109.6I124 I125R113-I124 HydrophobicContact CG-CG2 3.4Å; R113-I125 WeakPolarHBondContact CA-O 3.18Å
114I89.1Confident85.2Confident47 Ų4787.1 Ų87.124%0.24143%0.426CS..EExtended strand (participates in β ladder)trans-136.1139.4175-172.567.3000110.2L105 I124 I125 L127L105-I114 HydrophobicContact CD1-CG1 4.14Å; L105-I114 HydrophobicContact CD1-CG2 4.34Å; I114-I124 CarbonylContact O-C 3.6Å; I114-I124 WeakPolarHBondContact O-CA 3.21Å; I114-I125 HydrophobicContact CG2-CB 3.94Å; I114-I125 HydrophobicContact CG2-CD1 4.28Å; I114-I125 HydrophobicContact CG2-CG1 4.44Å; I114-I125 PolarHBondContact N-O 2.93Å; I114-I125 PolarHBondContact O-N 3.31Å; I114-L127 HydrophobicContact CB-CD1 4.49Å; I114-L127 HydrophobicContact CG2-CD1 3.56Å
115G88.5Confident85Confident39 Ų3987.4 Ų87.440%0.40243%0.427SS..EExtended strand (participates in β ladder)trans-93139.8169.900000111.3
116C89.4Confident84.8Confident5 Ų592.4 Ų92.43%0.03445%0.454CS..  trans-71.1128.6168.5-175.20000110.4C99 C101 R118 C121 R122 R123C99-C116 HydrophobicContact CB-CB 4.45Å; C101-C116 PolarHBondContact SG-SG 3.21Å; C116-R118 VanDerWaalsContact C-N 3.29Å; C116-R118 PolarHBondContact O-N 3.28Å; C116-C121 HydrophobicContact CB-CB 4.41Å; C116-R122 WeakPolarHBondContact O-CA 3.41Å; C116-R123 PolarHBondContact N-O 3.46Å
117P86.6Confident84.4Confident97 Ų9789 Ų8963%0.6344%0.437SS*.  trans-76.3-12.7-178.831.8-35.3000113.6L105L105-P117 VanDerWaalsContact CD2-CD 3.49Å; L105-P117 HydrophobicContact CD2-CG 4.1Å
118R86.6Confident83.5Confident97 Ų9791.2 Ų91.237%0.36646%0.461SS..  trans-62.7124.7-179.9-179.9172.4-79.9176.70.8109.4E83 C101 C116 N120 C121 R122E83-R118 IonicContact OE1-CZ 3.39Å; E83-R118 IonicContact OE1-NH1 3.17Å; E83-R118 PolarHBondContact OE1-NH1 2.87Å; E83-R118 IonicContact OE1-NH2 2.7Å; E83-R118 PolarHBondContact OE1-NH2 3.2Å; E83-R118 IonicContact OE2-NH2 3.88Å; C101-R118 PolarHBondContact O-NH1 2.89Å; C116-R118 VanDerWaalsContact C-N 3.29Å; C116-R118 PolarHBondContact O-N 3.28Å; R118-N120 VanDerWaalsContact C-N 3.27Å; R118-N120 PolarHBondContact O-N 2.92Å; R118-C121 HydrophobicContact CB-CB 4.09Å; R118-C121 HydrophobicContact CG-CB 4.36Å; R118-C121 PolarHBondContact O-N 3.16Å; R118-R122 PolarHBondContact O-N 3.46Å
119P84Confident82.1Confident87 Ų8789.7 Ų89.757%0.56546%0.464SS*.THydrogen-bonded Turntrans-58.8-37.4-171.320.9-33.1000112.8C121P119-C121 VanDerWaalsContact C-N 3.29Å; P119-C121 PolarHBondContact O-N 2.85Å
120N82.5Confident80.6Confident159 Ų15991.8 Ų91.885%0.8548%0.479SS*.THydrogen-bonded Turntrans-82.4-1.3-179.8-57.7-7.6000113.8R118R118-N120 VanDerWaalsContact C-N 3.27Å; R118-N120 PolarHBondContact O-N 2.92Å
121C86.1Confident79Confident36 Ų3694.3 Ų94.324%0.24349%0.486CS..THydrogen-bonded Turntrans-113.4-58.3179.4-173.30000111.8C101 C116 R118 P119 R123C101-C121 HydrophobicContact CB-CB 4.05Å; C116-C121 HydrophobicContact CB-CB 4.41Å; R118-C121 HydrophobicContact CB-CB 4.09Å; R118-C121 HydrophobicContact CG-CB 4.36Å; R118-C121 PolarHBondContact O-N 3.16Å; P119-C121 VanDerWaalsContact C-N 3.29Å; P119-C121 PolarHBondContact O-N 2.85Å; C121-R123 PolarHBondContact O-N 3.02Å; C121-R123 VanDerWaalsContact SG-CB 3.58Å
122R84.9Confident77.1Confident190 Ų190100.6 Ų100.672%0.71752%0.516SS*.  trans4416.6-177.2-69.5178.9175.1167.60.7115.8C116 R118C116-R122 WeakPolarHBondContact O-CA 3.41Å; R118-R122 PolarHBondContact O-N 3.46Å
123R87.1Confident75.2Confident153 Ų15398.6 Ų98.658%0.57752%0.518SS*.PPolyproline II helixtrans-71.8136.1-170.2-166.6175.2-162.4158.15.7109.7C116 C121C116-R123 PolarHBondContact N-O 3.46Å; C121-R123 PolarHBondContact O-N 3.02Å; C121-R123 VanDerWaalsContact SG-CB 3.58Å
124I87.6Confident73Confident84 Ų8496.2 Ų96.243%0.43153%0.527SS..EExtended strand (participates in β ladder)trans-95.4119.6179.5-52.1175.8000108.5R113 I114R113-I124 HydrophobicContact CG-CG2 3.4Å; I114-I124 CarbonylContact O-C 3.6Å; I114-I124 WeakPolarHBondContact O-CA 3.21Å
125I85.1Confident70.8Confident33 Ų33103.1 Ų103.117%0.16956%0.559CS.*EExtended strand (participates in β ladder)trans-99.4121.5-179.9-47.9171.8000106.9V97 C99 L105 R113 I114 L127V97-I125 HydrophobicContact CG1-CD1 4.27Å; C99-I125 HydrophobicContact CB-CD1 3.93Å; L105-I125 HydrophobicContact CD1-CD1 4.25Å; R113-I125 WeakPolarHBondContact CA-O 3.18Å; I114-I125 HydrophobicContact CG2-CB 3.94Å; I114-I125 HydrophobicContact CG2-CD1 4.28Å; I114-I125 HydrophobicContact CG2-CG1 4.44Å; I114-I125 PolarHBondContact N-O 2.93Å; I114-I125 PolarHBondContact O-N 3.31Å; I125-L127 HydrophobicContact CB-CD1 4.09Å; I125-L127 HydrophobicContact CG2-CD1 3.84Å; I125-L127 WeakPolarHBondContact O-CD1 3.39Å
126N83.1Confident68.5Low122 Ų122109.8 Ų109.865%0.65258%0.579SS**EExtended strand (participates in β ladder)trans-88.6116.2169.6-61.7-37.9000107.5R112R112-N126 CarbonylContact O-C 3.59Å; R112-N126 WeakPolarHBondContact O-CA 3.22Å
127L78.3Confident65.9Low21 Ų21118.3 Ų118.311%0.1162%0.618CS.*  trans-92.4106.3174.8-71.269.9000105.4K95 V97 S111 R112 I114 I125K95-L127 HydrophobicContact CD-CD2 4.23Å; V97-L127 HydrophobicContact CG2-CD2 3.58Å; V97-L127 HydrophobicContact CG2-CG 4.33Å; S111-L127 WeakPolarHBondContact O-CB 3.39Å; R112-L127 PolarHBondContact O-N 3.47Å; I114-L127 HydrophobicContact CB-CD1 4.49Å; I114-L127 HydrophobicContact CG2-CD1 3.56Å; I125-L127 HydrophobicContact CB-CD1 4.09Å; I125-L127 HydrophobicContact CG2-CD1 3.84Å; I125-L127 WeakPolarHBondContact O-CD1 3.39Å
128G68.8Low63.5Low54 Ų54119 Ų11956%0.55762%0.623SS**  trans-52.9144.8177.200000110.7V130G128-V130 PolarHBondContact O-N 2.97Å
129P54.3Low61.3Low92 Ų92119.2 Ų119.260%0.59765%0.645SS**  trans-59126170.727-32.3000108M131P129-M131 PolarHBondContact O-N 2.93Å
130V49.5Very low59.1Low123 Ų123123.9 Ų123.975%0.74566%0.66SS**  trans-68.592.5159.9178.50000104.7G128 L132G128-V130 PolarHBondContact O-N 2.97Å; V130-L132 PolarHBondContact O-N 2.93Å; V130-L132 VanDerWaalsContact O-N 3.16Å
131M43.9Very low57.1Low148 Ų148122.2 Ų122.273%0.72966%0.658SS**  trans-59.2116.5162.5-66.2-71.3-76.500105P129 I133P129-M131 PolarHBondContact O-N 2.93Å; M131-I133 PolarHBondContact O-N 3.03Å
132L38.4Very low55.1Low166 Ų166125.6 Ų125.687%0.86969%0.688SS**  trans-66.593.1167-67.9171000105.8V130 S134V130-L132 PolarHBondContact O-N 2.93Å; V130-L132 VanDerWaalsContact O-N 3.16Å; L132-S134 PolarHBondContact O-N 3.41Å
133I41.3Very low52.9Low151 Ų151123.8 Ų123.877%0.77469%0.692SS**  trans-64.8115166.5-55.4174.9000104.1M131 E135M131-I133 PolarHBondContact O-N 3.03Å; I133-E135 PolarHBondContact O-N 2.94Å
134S37.3Very low50.8Low116 Ų116121.7 Ų121.781%0.81170%0.698SS**  trans-59.8123.1171.9-163.40000107.3L132 E136L132-S134 PolarHBondContact O-N 3.41Å; S134-E136 PolarHBondContact O-N 2.81Å
135E43Very low48.7Very low193 Ų193125.8 Ų125.890%0.90272%0.719SS**SBendtrans-78.683.8-163.8-168.5176132.400111.2I133I133-E135 PolarHBondContact O-N 2.94Å
136E41Very low46.7Very low179 Ų179130.7 Ų130.784%0.83674%0.741SS**  trans-15684.6166.2-132.4176.8106.900112.3S134S134-E136 PolarHBondContact O-N 2.81Å
137Q33.5Very low45Very low183 Ų183128.8 Ų128.886%0.85574%0.735SS**  trans-165.5132147.7-15273.5-76.800110.5
138P37.5Very low43.8Very low113 Ų113136.6 Ų136.673%0.73477%0.771SS**  trans-80.7136.6-176.2-11.928.6000114.5
139A40.5Very low43.3Very low100 Ų100134.6 Ų134.683%0.82675%0.751SS**  trans29.498.6150.800000119.7
140Q38.4Very low43.9Very low185 Ų185133.3 Ų133.386%0.86474%0.741SS**  trans-136.8155.7149.6-75.6-162.2-15.900112.2
141P39.8Very low44.9Very low125 Ų125135 Ų13581%0.81273%0.734SS**PPolyproline II helixtrans-75158.2-164.7-17.333.2000115L143P141-L143 PolarHBondContact O-N 2.91Å
142A44.9Very low46.2Very low106 Ų106128.1 Ų128.188%0.87670%0.7SS**PPolyproline II helixtrans-62.4116.1-172.400000114.5
143L38.4Very low47.9Very low153 Ų153121.9 Ų121.980%0.80167%0.669SS**PPolyproline II helixtrans-98.4147.5152.5-74.2173.7000109.5P141 I145P141-L143 PolarHBondContact O-N 2.91Å; L143-I145 PolarHBondContact O-N 2.86Å
144P41.4Very low49.5Very low109 Ų109114.7 Ų114.771%0.70863%0.633SS**PPolyproline II helixtrans-63.6126178.326.5-33.5000109.6Q146P144-Q146 PolarHBondContact O-N 3Å
145I44.2Very low51Low169 Ų169111.1 Ų111.187%0.86761%0.614SS**  trans-67.582.3176.6-54.8169.1000108.5L143L143-I145 PolarHBondContact O-N 2.86Å
146Q43.3Very low52.5Low137 Ų137105.3 Ų105.364%0.6459%0.586SS**  trans-57.6130155.5-75.4-74.1-32.700106.3P144 E148P144-Q146 PolarHBondContact O-N 3Å; Q146-E148 PolarHBondContact O-N 3.46Å; Q146-E148 VanDerWaalsContact O-N 3.13Å
147P47.6Very low54.2Low81 Ų8199.1 Ų99.153%0.52656%0.562SS.*  trans-59.9122.7165.227.2-31.6000106.9G149 M164P147-G149 PolarHBondContact O-N 2.72Å; P147-M164 HydrophobicContact CB-CE 3.94Å; P147-M164 HydrophobicContact CB-SD 3.92Å; P147-M164 HydrophobicContact CG-CE 3.77Å; P147-M164 HydrophobicContact CG-SD 4.38Å
148E53.1Low56Low186 Ų18692.8 Ų92.887%0.86955%0.546SS*.  trans-66.577.9-178.9-71.317810600110.5Q146Q146-E148 PolarHBondContact O-N 3.46Å; Q146-E148 VanDerWaalsContact O-N 3.13Å
149G59.1Low57.8Low12 Ų1290.9 Ų90.912%0.12453%0.53CS..EExtended strand (participates in β ladder)trans-90.3117.7168.400000108.8P147 R151 L162 W163P147-G149 PolarHBondContact O-N 2.72Å; G149-R151 PolarHBondContact O-N 2.99Å; G149-L162 WeakPolarHBondContact O-CD2 3.41Å; G149-W163 CarbonylContact C-O 3.58Å; G149-W163 WeakPolarHBondContact CA-O 3.44Å
150T66.7Low59.3Low64 Ų6488.7 Ų88.739%0.39351%0.506SS..EExtended strand (participates in β ladder)trans-57.3126.5172.4-600000108.8V152 W163 P252T150-V152 HydrophobicContact CG2-CG2 3.78Å; T150-V152 PolarHBondContact O-N 3.42Å; T150-W163 PolarHBondContact N-O 3.31Å; T150-W163 PolarHBondContact O-N 3.31Å; T150-P252 HydrophobicContact CG2-CB 4.39Å
151R70.5Confident61Low158 Ų15880.9 Ų80.960%0.59647%0.47SS*.EExtended strand (participates in β ladder)trans-76.2120.4173.1-73.3-175.5178.8-136.61.4109.1G149 T160 L162 E253G149-R151 PolarHBondContact O-N 2.99Å; R151-T160 HydrophobicContact CB-CG2 3.91Å; R151-T160 HydrophobicContact CG-CG2 4.45Å; R151-L162 HydrophobicContact CG-CD2 3.74Å; R151-E253 PolarHBondContact O-N 3Å
152V70.5Confident62.5Low4 Ų479.5 Ų79.52%0.02446%0.455CS..EExtended strand (participates in β ladder)trans-128.9130.9-174.4-176.80000110.2T150 T160 F161 W163 V183T150-V152 HydrophobicContact CG2-CG2 3.78Å; T150-V152 PolarHBondContact O-N 3.42Å; V152-T160 WeakPolarHBondContact O-CA 3.07Å; V152-F161 HydrophobicContact CB-CZ 4.35Å; V152-F161 HydrophobicContact CG1-CZ 4.37Å; V152-F161 PolarHBondContact N-O 2.96Å; V152-F161 VanDerWaalsContact O-CD1 3.29Å; V152-F161 WeakPolarHBondContact O-CD1 3.39Å; V152-F161 PolarHBondContact O-N 3.2Å; V152-W163 HydrophobicContact CG2-CB 4.27Å; V152-V183 HydrophobicContact CB-CG1 4.29Å; V152-V183 HydrophobicContact CG1-CG1 4.09Å; V152-V183 HydrophobicContact CG1-CG2 4.1Å; V152-V183 HydrophobicContact CG2-CG1 3.76Å
153V73Confident63.4Low36 Ų3676.6 Ų76.622%0.21842%0.421CS..EExtended strand (participates in β ladder)trans-84.2125178.8-172.80000109G155 G158 S250 Y251 E253V153-G155 PolarHBondContact O-N 3.25Å; V153-G155 VanDerWaalsContact O-N 3.17Å; V153-G158 WeakPolarHBondContact CG1-O 3.02Å; V153-S250 WeakPolarHBondContact O-CB 3.16Å; V153-Y251 PolarHBondContact N-O 3.24Å; V153-E253 HydrophobicContact CG2-CG 3.25Å
154C76.8Confident64.4Low0 Ų072.9 Ų72.90%040%0.401CS..  trans-68.2113.2175.9-175.70000111.2H156 C157 G158 N159 F161 C174C154-H156 PolarHBondContact O-N 3Å; C154-C157 PolarHBondContact O-N 2.98Å; C154-C157 VanDerWaalsContact O-N 3.12Å; C154-G158 PolarHBondContact O-N 3Å; C154-N159 WeakPolarHBondContact CB-O 3.46Å; C154-N159 PolarHBondContact N-O 3.28Å; C154-F161 HydrophobicContact CB-CD1 4.25Å; C154-F161 HydrophobicContact CB-CE1 3.94Å; C154-C174 PolarHBondContact SG-SG 3.39Å
155G68.8Low65.2Low40 Ų4074.4 Ų74.441%0.41240%0.398SS..THydrogen-bonded Turntrans-63.60.2177.700000115.6V153V153-G155 PolarHBondContact O-N 3.25Å; V153-G155 VanDerWaalsContact O-N 3.17Å
156H73.9Confident65.3Low72 Ų7274 Ų7433%0.33340%0.397SS..THydrogen-bonded Turntrans-105-22.7175.9-67.599.5000114.6C154 K179 I180 S181C154-H156 PolarHBondContact O-N 3Å; H156-K179 HydrophobicContact CB-CB 4.43Å; H156-K179 HydrophobicContact CB-CD 4.11Å; H156-I180 PolarHBondContact CE1-O 3.5Å; H156-I180 VanDerWaalsContact CE1-O 3.25Å; H156-S181 PolarHBondContact ND1-OG 2.87Å
157C76.5Confident65.5Low48 Ų4876.9 Ų76.932%0.32440%0.402SS..THydrogen-bonded Turntrans-146.95.8-173.968.60000114.9C154 N159 C177C154-C157 PolarHBondContact O-N 2.98Å; C154-C157 VanDerWaalsContact O-N 3.12Å; C157-N159 PolarHBondContact O-N 3.12Å; C157-N159 PolarHBondContact O-OD1 2.89Å; C157-C177 HydrophobicContact CB-CB 4.07Å
158G70.4Confident65.5Low51 Ų5183.4 Ų83.453%0.52642%0.423SS..  trans71.5-10.9176.500000115.9V153 C154V153-G158 WeakPolarHBondContact CG1-O 3.02Å; C154-G158 PolarHBondContact O-N 3Å
159N76Confident65.4Low73 Ų7380.3 Ų80.339%0.3941%0.412SS..  trans-76.6131.1-179.1-67.94.1000112.1C154 C157 H176C154-N159 WeakPolarHBondContact CB-O 3.46Å; C154-N159 PolarHBondContact N-O 3.28Å; C157-N159 PolarHBondContact O-N 3.12Å; C157-N159 PolarHBondContact O-OD1 2.89Å; N159-H176 VanDerWaalsContact CB-CD2 3.46Å; N159-H176 WeakPolarHBondContact CB-CD2 3.37Å; N159-H176 VanDerWaalsContact ND2-CG 3.27Å; N159-H176 PolarHBondContact ND2-ND1 2.73Å
160T73.1Confident65.3Low54 Ų5483.5 Ų83.533%0.33143%0.429SS..EExtended strand (participates in β ladder)trans-75.9132.8173.8-45.80000111.1R151 V152R151-T160 HydrophobicContact CB-CG2 3.91Å; R151-T160 HydrophobicContact CG-CG2 4.45Å; V152-T160 WeakPolarHBondContact O-CA 3.07Å
161F73.5Confident64.9Low21 Ų2185.6 Ų85.69%0.09244%0.437CS..EExtended strand (participates in β ladder)trans-130.6154.5171.963.2-84.1000111V152 C154 W163 A172 P175 V183V152-F161 HydrophobicContact CB-CZ 4.35Å; V152-F161 HydrophobicContact CG1-CZ 4.37Å; V152-F161 PolarHBondContact N-O 2.96Å; V152-F161 VanDerWaalsContact O-CD1 3.29Å; V152-F161 WeakPolarHBondContact O-CD1 3.39Å; V152-F161 PolarHBondContact O-N 3.2Å; C154-F161 HydrophobicContact CB-CD1 4.25Å; C154-F161 HydrophobicContact CB-CE1 3.94Å; F161-W163 HydrophobicContact CE2-CB 4.26Å; F161-W163 HydrophobicContact CE2-CE3 4.13Å; F161-A172 HydrophobicContact CE2-CB 4.15Å; F161-A172 HydrophobicContact CZ-CB 4.15Å; F161-P175 HydrophobicContact CB-CG 4.3Å; F161-V183 HydrophobicContact CE2-CG2 4.11Å; F161-V183 HydrophobicContact CZ-CG2 3.7Å
162L69.9Low64.6Low95 Ų9578.1 Ų78.150%0.49741%0.409SS..EExtended strand (participates in β ladder)trans-82.3114.7174.6-72.3163.4000109.3G149 R151 M164G149-L162 WeakPolarHBondContact O-CD2 3.41Å; R151-L162 HydrophobicContact CG-CD2 3.74Å; L162-M164 HydrophobicContact CB-CE 4.29Å
163W64.1Low64.5Low45 Ų4585 Ų8517%0.1744%0.439CS..EExtended strand (participates in β ladder)trans-94.9118171.7-178.6-103.8000109.8G149 T150 V152 F161 N169 A172 V183G149-W163 CarbonylContact C-O 3.58Å; G149-W163 WeakPolarHBondContact CA-O 3.44Å; T150-W163 PolarHBondContact N-O 3.31Å; T150-W163 PolarHBondContact O-N 3.31Å; V152-W163 HydrophobicContact CG2-CB 4.27Å; F161-W163 HydrophobicContact CE2-CB 4.26Å; F161-W163 HydrophobicContact CE2-CE3 4.13Å; W163-N169 WeakPolarHBondContact CZ2-O 3.39Å; W163-A172 HydrophobicContact CD2-CB 4.49Å; W163-A172 HydrophobicContact CE3-CB 3.62Å; W163-A172 HydrophobicContact CH2-CB 3.77Å; W163-A172 HydrophobicContact CZ3-CB 3.21Å; W163-V183 HydrophobicContact CB-CG1 3.92Å; W163-V183 HydrophobicContact CD2-CB 4.13Å; W163-V183 HydrophobicContact CD2-CG1 3.9Å; W163-V183 HydrophobicContact CD2-CG2 4.48Å; W163-V183 HydrophobicContact CG-CB 4.26Å; W163-V183 HydrophobicContact CG-CG1 3.5Å; W163-V183 VanDerWaalsContact CG-CG1 3.5Å
164M61Low64.6Low75 Ų7583.4 Ų83.437%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-88.4121.6175.7-66.9-67.1153.900109.6P147 L162 L166P147-M164 HydrophobicContact CB-CE 3.94Å; P147-M164 HydrophobicContact CB-SD 3.92Å; P147-M164 HydrophobicContact CG-CE 3.77Å; P147-M164 HydrophobicContact CG-SD 4.38Å; L162-M164 HydrophobicContact CB-CE 4.29Å; M164-L166 PolarHBondContact O-N 2.89Å
165E56.3Low64.5Low141 Ų14187.6 Ų87.666%0.65946%0.456SS*.THydrogen-bonded Turntrans-52.3-18.4-179-14669-152.100114R167E165-R167 PolarHBondContact O-N 3.04Å
166L47.1Very low64.7Low161 Ų16190.7 Ų90.784%0.84346%0.46SS*.THydrogen-bonded Turntrans-69.914-171.9-152.671.9000115.9M164M164-L166 PolarHBondContact O-N 2.89Å
167R48.3Very low64.7Low198 Ų19889.2 Ų89.275%0.74746%0.457SS*.  trans-130113169.1-76.3-166.6176.1-169.60.2111.1E165 N169E165-R167 PolarHBondContact O-N 3.04Å; R167-N169 PolarHBondContact O-N 3.4Å
168F46.2Very low64.6Low218 Ų21894.2 Ų94.296%0.95647%0.473SS*.  trans-57.410.4172.8-60.6-84.3000116.2
169N52.4Low64.5Low121 Ų12197.5 Ų97.565%0.64747%0.473SS*.  trans-104.2114.4177.6-115.28.5000109.5W163 R167 L171W163-N169 WeakPolarHBondContact CZ2-O 3.39Å; R167-N169 PolarHBondContact O-N 3.4Å; N169-L171 PolarHBondContact O-N 2.91Å
170T56.5Low64.1Low79 Ų7999 Ų9949%0.48548%0.48SS..SBendtrans-67.115.6-179.6-29.10000114.5S182T170-S182 WeakPolarHBondContact O-CA 3.45Å
171L58.8Low63.5Low107 Ų10796.5 Ų96.556%0.5647%0.465SS*.EExtended strand (participates in β ladder)trans-122.5106.1-171.8-117.572.9000110N169 I180N169-L171 PolarHBondContact O-N 2.91Å; L171-I180 HydrophobicContact CB-CG2 4.4Å; L171-I180 HydrophobicContact CD2-CG2 3.6Å; L171-I180 HydrophobicContact CG-CG2 3.52Å
172A63.2Low62.7Low1 Ų196.1 Ų96.11%0.00847%0.465CS..EExtended strand (participates in β ladder)trans-93.9133.5173.700000110.3F161 W163 I180 S181 V183F161-A172 HydrophobicContact CE2-CB 4.15Å; F161-A172 HydrophobicContact CZ-CB 4.15Å; W163-A172 HydrophobicContact CD2-CB 4.49Å; W163-A172 HydrophobicContact CE3-CB 3.62Å; W163-A172 HydrophobicContact CH2-CB 3.77Å; W163-A172 HydrophobicContact CZ3-CB 3.21Å; A172-I180 CarbonylContact O-C 3.56Å; A172-I180 WeakPolarHBondContact O-CA 3.27Å; A172-S181 WeakPolarHBondContact CB-O 3.48Å; A172-S181 PolarHBondContact N-O 3.36Å; A172-S181 PolarHBondContact O-N 3.49Å; A172-S181 VanDerWaalsContact O-O 3.09Å; A172-V183 HydrophobicContact CB-CB 4.23Å; A172-V183 HydrophobicContact CB-CG2 3.4Å; A172-V183 VanDerWaalsContact CB-CG2 3.4Å
173K69.4Low62Low149 Ų14992.2 Ų92.265%0.64845%0.445SS*.EExtended strand (participates in β ladder)trans-93.5116.1165.1-166172.5-173.3172.20107.8K178K173-K178 WeakPolarHBondContact CE-O 3.43Å; K173-K178 WeakPolarHBondContact CG-O 3.44Å
174C73.9Confident61.6Low2 Ų291.5 Ų91.51%0.01445%0.452CS..PPolyproline II helixtrans-63.2130.3-178.3178.50000110.3C154 H176 C177 K178 K179C154-C174 PolarHBondContact SG-SG 3.39Å; C174-H176 VanDerWaalsContact C-N 3.27Å; C174-H176 PolarHBondContact O-N 3.29Å; C174-H176 PolarHBondContact SG-N 3.29Å; C174-C177 VanDerWaalsContact CB-SG 3.55Å; C174-C177 VanDerWaalsContact SG-SG 3.64Å; C174-K178 WeakPolarHBondContact O-CA 3.47Å; C174-K178 PolarHBondContact O-N 2.94Å; C174-K179 PolarHBondContact N-O 3.1Å
175P74.4Confident61Low88 Ų8892 Ų9257%0.57146%0.462SS*.THydrogen-bonded Turntrans-66.7-27.8179.725.5-33.4000113F161F161-P175 HydrophobicContact CB-CG 4.3Å
176H74.3Confident60.6Low106 Ų10688.4 Ų88.449%0.49146%0.457SS..THydrogen-bonded Turntrans-80-57.2-178.1-55.6-79.3000112.5N159 C174N159-H176 VanDerWaalsContact CB-CD2 3.46Å; N159-H176 WeakPolarHBondContact CB-CD2 3.37Å; N159-H176 VanDerWaalsContact ND2-CG 3.27Å; N159-H176 PolarHBondContact ND2-ND1 2.73Å; C174-H176 VanDerWaalsContact C-N 3.27Å; C174-H176 PolarHBondContact O-N 3.29Å; C174-H176 PolarHBondContact SG-N 3.29Å
177C73.1Confident60.8Low40 Ų4086.1 Ų86.127%0.2745%0.445SS..THydrogen-bonded Turntrans-99.4-1.9-173.366.40000114.3C157 C174 K179C157-C177 HydrophobicContact CB-CB 4.07Å; C174-C177 VanDerWaalsContact CB-SG 3.55Å; C174-C177 VanDerWaalsContact SG-SG 3.64Å; C177-K179 PolarHBondContact O-N 3.17Å
178K73.9Confident60.8Low153 Ų15378.2 Ų78.267%0.66542%0.42SS*.  trans56.31.3-175.7-64.1174-177.1170.80115.5K173 C174K173-K178 WeakPolarHBondContact CE-O 3.43Å; K173-K178 WeakPolarHBondContact CG-O 3.44Å; C174-K178 WeakPolarHBondContact O-CA 3.47Å; C174-K178 PolarHBondContact O-N 2.94Å
179K69.4Low61.6Low120 Ų12075.6 Ų75.652%0.52240%0.404SS..  trans-73147.9174-65.7-175.7179.6179.20110.7H156 C174 C177H156-K179 HydrophobicContact CB-CB 4.43Å; H156-K179 HydrophobicContact CB-CD 4.11Å; C174-K179 PolarHBondContact N-O 3.1Å; C177-K179 PolarHBondContact O-N 3.17Å
180I66.6Low61.9Low104 Ų10479.6 Ų79.653%0.53341%0.41SS..EExtended strand (participates in β ladder)trans-82.7126.6178.4-59.4171.3000107.6H156 L171 A172H156-I180 PolarHBondContact CE1-O 3.5Å; H156-I180 VanDerWaalsContact CE1-O 3.25Å; L171-I180 HydrophobicContact CB-CG2 4.4Å; L171-I180 HydrophobicContact CD2-CG2 3.6Å; L171-I180 HydrophobicContact CG-CG2 3.52Å; A172-I180 CarbonylContact O-C 3.56Å; A172-I180 WeakPolarHBondContact O-CA 3.27Å
181S60.7Low62.5Low2 Ų284 Ų841%0.01442%0.417CS..EExtended strand (participates in β ladder)trans-129138.6177.8-44.30000108.5H156 A172 S250H156-S181 PolarHBondContact ND1-OG 2.87Å; A172-S181 WeakPolarHBondContact CB-O 3.48Å; A172-S181 PolarHBondContact N-O 3.36Å; A172-S181 PolarHBondContact O-N 3.49Å; A172-S181 VanDerWaalsContact O-O 3.09Å; S181-S250 VanDerWaalsContact CB-OG 3.27Å; S181-S250 WeakPolarHBondContact CB-OG 3.38Å
182S57.8Low62.7Low14 Ų1480.2 Ų80.210%0.09840%0.399CS..EExtended strand (participates in β ladder)trans-78.7132174.556.50000109.9T170 S250T170-S182 WeakPolarHBondContact O-CA 3.45Å; S182-S250 PolarHBondContact O-OG 3.08Å
183V54.2Low63Low12 Ų1283.5 Ų83.57%0.07342%0.422CS..  trans-118.4121.4-179.7176.60000108.4V152 F161 W163 A172V152-V183 HydrophobicContact CB-CG1 4.29Å; V152-V183 HydrophobicContact CG1-CG1 4.09Å; V152-V183 HydrophobicContact CG1-CG2 4.1Å; V152-V183 HydrophobicContact CG2-CG1 3.76Å; F161-V183 HydrophobicContact CE2-CG2 4.11Å; F161-V183 HydrophobicContact CZ-CG2 3.7Å; W163-V183 HydrophobicContact CB-CG1 3.92Å; W163-V183 HydrophobicContact CD2-CB 4.13Å; W163-V183 HydrophobicContact CD2-CG1 3.9Å; W163-V183 HydrophobicContact CD2-CG2 4.48Å; W163-V183 HydrophobicContact CG-CB 4.26Å; W163-V183 HydrophobicContact CG-CG1 3.5Å; W163-V183 VanDerWaalsContact CG-CG1 3.5Å; A172-V183 HydrophobicContact CB-CB 4.23Å; A172-V183 HydrophobicContact CB-CG2 3.4Å; A172-V183 VanDerWaalsContact CB-CG2 3.4Å
184G55.3Low63.2Low31 Ų3178.4 Ų78.432%0.3241%0.407SS..  trans145.9107.1-173.500000109.7A186 P188G184-A186 PolarHBondContact O-N 3.34Å; G184-P188 WeakPolarHBondContact O-CD 3.43Å
185S49.9Very low63.1Low84 Ų8484.4 Ų84.459%0.58743%0.43SS*.SBendtrans-71.9-19-163.548.80000115.9
186A48.1Very low63.1Low67 Ų6783.5 Ų83.555%0.55442%0.423SS*.SBendtrans-115.7-35.2-174.500000115.1G184 R190G184-A186 PolarHBondContact O-N 3.34Å; A186-R190 WeakPolarHBondContact O-CB 3.34Å; A186-R190 PolarHBondContact O-N 2.7Å
187L50.8Low63.4Low112 Ų11282.1 Ų82.159%0.58642%0.422SS*.Hα-helixtrans-79-41.7-165-66.9168.6000115.4R191L187-R191 WeakPolarHBondContact O-CG 3.39Å; L187-R191 PolarHBondContact O-N 3.5Å; L187-R191 VanDerWaalsContact O-N 3.11Å
188P48.9Very low63.7Low33 Ų3384.2 Ų84.221%0.21443%0.43CS..Hα-helixtrans-65.9-43.7179.6-19.732.6000111.9G184 R191 C192G184-P188 WeakPolarHBondContact O-CD 3.43Å; P188-R191 PolarHBondContact O-N 3.34Å; P188-C192 WeakPolarHBondContact O-CB 3.45Å; P188-C192 PolarHBondContact O-N 2.95Å
189R61.3Low63.9Low163 Ų16377.1 Ų77.162%0.61540%0.4SS*.Hα-helixtrans-64.7-42.5179.9-165.3171.7-176.41670111.4R191 C192 C193R189-R191 PolarHBondContact O-N 3.11Å; R189-C192 PolarHBondContact O-N 2.93Å; R189-C193 WeakPolarHBondContact O-CB 3.18Å; R189-C193 PolarHBondContact O-N 3.31Å; R189-C193 PolarHBondContact O-SG 2.87Å
190R60Low64.5Low205 Ų20575.7 Ų75.777%0.77440%0.396SS*.Hα-helixtrans-64.7-38.9176.6-161.9174.6-169.2-131.32.6112.6A186 A194A186-R190 WeakPolarHBondContact O-CB 3.34Å; A186-R190 PolarHBondContact O-N 2.7Å; R190-A194 WeakPolarHBondContact O-CB 3.5Å; R190-A194 PolarHBondContact O-N 3Å
191R68.8Low65.4Low171 Ų17175.3 Ų75.365%0.64539%0.394SS*.Hα-helixtrans-69.7-40.6173.9-71-177.5-178.8-172.31112.4L187 P188 R189 A194 Y195L187-R191 WeakPolarHBondContact O-CG 3.39Å; L187-R191 PolarHBondContact O-N 3.5Å; L187-R191 VanDerWaalsContact O-N 3.11Å; P188-R191 PolarHBondContact O-N 3.34Å; R189-R191 PolarHBondContact O-N 3.11Å; R191-A194 PolarHBondContact O-N 2.86Å; R191-Y195 WeakPolarHBondContact O-CD2 3.34Å; R191-Y195 PolarHBondContact O-N 2.77Å
192C63.3Low66.3Low27 Ų2777.4 Ų77.418%0.18241%0.409CS..Hα-helixtrans-61.1-49.5174.5-172.20000111.5P188 R189 A194 Y195 V196 G245P188-C192 WeakPolarHBondContact O-CB 3.45Å; P188-C192 PolarHBondContact O-N 2.95Å; R189-C192 PolarHBondContact O-N 2.93Å; C192-A194 VanDerWaalsContact C-N 3.32Å; C192-A194 PolarHBondContact O-N 2.83Å; C192-Y195 PolarHBondContact O-N 2.86Å; C192-V196 WeakPolarHBondContact O-CG2 3.35Å; C192-V196 PolarHBondContact O-N 2.97Å; C192-G245 VanDerWaalsContact SG-CA 3.57Å
193C68Low67.5Low71 Ų7179.7 Ų79.748%0.4842%0.419SS..Hα-helixtrans-59-41.9175.4-69.40000111.7R189 V196 T197R189-C193 WeakPolarHBondContact O-CB 3.18Å; R189-C193 PolarHBondContact O-N 3.31Å; R189-C193 PolarHBondContact O-SG 2.87Å; C193-V196 PolarHBondContact O-N 3.47Å; C193-T197 WeakPolarHBondContact O-CG2 3.45Å; C193-T197 PolarHBondContact O-N 2.88Å; C193-T197 PolarHBondContact O-OG1 3.34Å
194A74.7Confident69Low41 Ų4186 Ų8634%0.33945%0.446SS..Hα-helixtrans-62-42.7176.100000113R190 R191 C192 T197 I198R190-A194 WeakPolarHBondContact O-CB 3.5Å; R190-A194 PolarHBondContact O-N 3Å; R191-A194 PolarHBondContact O-N 2.86Å; C192-A194 VanDerWaalsContact C-N 3.32Å; C192-A194 PolarHBondContact O-N 2.83Å; A194-T197 WeakPolarHBondContact CA-OG1 3.12Å; A194-T197 PolarHBondContact O-N 3.45Å; A194-T197 PolarHBondContact O-OG1 2.81Å; A194-I198 WeakPolarHBondContact O-CB 3.39Å; A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.02Å; A194-I198 PolarHBondContact O-N 3.25Å
195Y71.1Confident70.4Confident128 Ų12889.1 Ų89.150%0.50245%0.454SS..Hα-helixtrans-69.5-33.9175.9-72.7-58.6000112.8R191 C192 G199R191-Y195 WeakPolarHBondContact O-CD2 3.34Å; R191-Y195 PolarHBondContact O-N 2.77Å; C192-Y195 PolarHBondContact O-N 2.86Å; Y195-G199 PolarHBondContact O-N 2.91Å
196V75.1Confident71.9Confident69 Ų6985.4 Ų85.442%0.41843%0.429SS..Hα-helixtrans-65.9-45.4172.8170.60000111C192 C193 G199 M200 A241C192-V196 WeakPolarHBondContact O-CG2 3.35Å; C192-V196 PolarHBondContact O-N 2.97Å; C193-V196 PolarHBondContact O-N 3.47Å; V196-G199 PolarHBondContact O-N 3.46Å; V196-M200 WeakPolarHBondContact O-CG 3.23Å; V196-M200 PolarHBondContact O-N 3.25Å; V196-A241 HydrophobicContact CG2-CB 4.2Å
197T79.6Confident73.8Confident77 Ų7785.5 Ų85.547%0.47242%0.422SS..Hα-helixtrans-65.1-41.9177.653.50000112C193 A194 G199 M200 I201C193-T197 WeakPolarHBondContact O-CG2 3.45Å; C193-T197 PolarHBondContact O-N 2.88Å; C193-T197 PolarHBondContact O-OG1 3.34Å; A194-T197 WeakPolarHBondContact CA-OG1 3.12Å; A194-T197 PolarHBondContact O-N 3.45Å; A194-T197 PolarHBondContact O-OG1 2.81Å; T197-G199 PolarHBondContact O-N 2.86Å; T197-M200 PolarHBondContact O-N 2.97Å; T197-I201 WeakPolarHBondContact O-CD1 3.18Å; T197-I201 VanDerWaalsContact O-CG1 3.23Å; T197-I201 WeakPolarHBondContact O-CG1 3.37Å; T197-I201 PolarHBondContact O-N 3.21Å
198I80.6Confident75.5Confident85 Ų8582.2 Ų82.244%0.43642%0.416SS..Hα-helixtrans-60.9-44.5173.9-68.1164.2000110.8A194 M200 I201 C202A194-I198 WeakPolarHBondContact O-CB 3.39Å; A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 WeakPolarHBondContact O-CG1 3.02Å; A194-I198 PolarHBondContact O-N 3.25Å; I198-M200 PolarHBondContact O-N 3.4Å; I198-I201 PolarHBondContact O-N 2.99Å; I198-C202 PolarHBondContact O-N 3.49Å; I198-C202 PolarHBondContact O-SG 3.24Å; I198-C202 VanDerWaalsContact O-SG 3.35Å
199G77.9Confident77.2Confident3 Ų384.9 Ų84.93%0.03143%0.428CS..Hα-helixtrans-60.5-43.917700000113.3Y195 V196 T197 C202 I203Y195-G199 PolarHBondContact O-N 2.91Å; V196-G199 PolarHBondContact O-N 3.46Å; T197-G199 PolarHBondContact O-N 2.86Å; G199-C202 PolarHBondContact O-N 3.31Å; G199-I203 PolarHBondContact O-N 2.94Å; G199-I203 VanDerWaalsContact O-N 3.11Å
200M81.8Confident78.3Confident91 Ų9178.5 Ų78.545%0.44841%0.407SS..Hα-helixtrans-61.7-45.8174.5-69.5-61.2-63.800111.6V196 T197 I198 C202 I203 F204V196-M200 WeakPolarHBondContact O-CG 3.23Å; V196-M200 PolarHBondContact O-N 3.25Å; T197-M200 PolarHBondContact O-N 2.97Å; I198-M200 PolarHBondContact O-N 3.4Å; M200-C202 VanDerWaalsContact C-N 3.35Å; M200-C202 PolarHBondContact O-N 3.32Å; M200-I203 PolarHBondContact O-N 3.18Å; M200-F204 HydrophobicContact CE-CE2 3.84Å; M200-F204 HydrophobicContact CE-CZ 4.28Å; M200-F204 WeakPolarHBondContact O-CD2 3.41Å; M200-F204 PolarHBondContact O-N 2.98Å
201I84.7Confident79.6Confident95 Ų9573 Ų7349%0.48740%0.396SS..Hα-helixtrans-59.2-45.2177.5-69.5162.8000110.8T197 I198 I203 F204 I205T197-I201 WeakPolarHBondContact O-CD1 3.18Å; T197-I201 VanDerWaalsContact O-CG1 3.23Å; T197-I201 WeakPolarHBondContact O-CG1 3.37Å; T197-I201 PolarHBondContact O-N 3.21Å; I198-I201 PolarHBondContact O-N 2.99Å; I201-I203 VanDerWaalsContact C-N 3.32Å; I201-I203 PolarHBondContact O-N 2.84Å; I201-F204 PolarHBondContact O-N 3.48Å; I201-I205 HydrophobicContact CG2-CD1 3.68Å; I201-I205 HydrophobicContact CG2-CG1 4.41Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.98Å
202C80.4Confident80.4Confident47 Ų4768.2 Ų68.232%0.31840%0.399SS..Hα-helixtrans-60.8-37.4176.4-70.10000113I198 G199 M200 G206I198-C202 PolarHBondContact O-N 3.49Å; I198-C202 PolarHBondContact O-SG 3.24Å; I198-C202 VanDerWaalsContact O-SG 3.35Å; G199-C202 PolarHBondContact O-N 3.31Å; M200-C202 VanDerWaalsContact C-N 3.35Å; M200-C202 PolarHBondContact O-N 3.32Å; C202-G206 PolarHBondContact O-N 3.06Å
203I82.8Confident81.4Confident62 Ų6268.9 Ų68.932%0.31840%0.403SS..Hα-helixtrans-66.7-46.9174.8-74.7-178.6000111.3G199 M200 I201 I205 G206 V207 L238G199-I203 PolarHBondContact O-N 2.94Å; G199-I203 VanDerWaalsContact O-N 3.11Å; M200-I203 PolarHBondContact O-N 3.18Å; I201-I203 VanDerWaalsContact C-N 3.32Å; I201-I203 PolarHBondContact O-N 2.84Å; I203-I205 VanDerWaalsContact C-N 3.29Å; I203-I205 PolarHBondContact O-N 3.46Å; I203-G206 PolarHBondContact O-N 3.48Å; I203-G206 VanDerWaalsContact O-N 3.15Å; I203-V207 HydrophobicContact CG2-CG2 4.39Å; I203-V207 WeakPolarHBondContact O-CG2 3.15Å; I203-V207 PolarHBondContact O-N 3.26Å; I203-L238 HydrophobicContact CD1-CD1 3.43Å; I203-L238 VanDerWaalsContact CD1-CD1 3.43Å
204F85.8Confident81.8Confident144 Ų14470.9 Ų70.963%0.63241%0.405SS*.Hα-helixtrans-60.4-39.5177.4-76.1-65.1000112.2M200 I201 G208M200-F204 HydrophobicContact CE-CE2 3.84Å; M200-F204 HydrophobicContact CE-CZ 4.28Å; M200-F204 WeakPolarHBondContact O-CD2 3.41Å; M200-F204 PolarHBondContact O-N 2.98Å; I201-F204 PolarHBondContact O-N 3.48Å; F204-G208 PolarHBondContact O-N 2.94Å
205I85Confident81.9Confident97 Ų9775.5 Ų75.550%0.49742%0.424SS..Hα-helixtrans-64.7-44174-67167.6000111I201 I203 G208 L209I201-I205 HydrophobicContact CG2-CD1 3.68Å; I201-I205 HydrophobicContact CG2-CG1 4.41Å; I201-I205 VanDerWaalsContact O-CG1 3.3Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.98Å; I203-I205 VanDerWaalsContact C-N 3.29Å; I203-I205 PolarHBondContact O-N 3.46Å; I205-G208 PolarHBondContact O-N 3Å; I205-L209 HydrophobicContact CG2-CD1 3.85Å; I205-L209 HydrophobicContact CG2-CG 4.33Å; I205-L209 WeakPolarHBondContact O-CB 3.39Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.49Å; I205-L209 PolarHBondContact O-N 3.33Å
206G82.3Confident81.9Confident5 Ų575.3 Ų75.35%0.05243%0.426CS..Hα-helixtrans-61.6-43.9177.600000113.3C202 I203 T210 Y231C202-G206 PolarHBondContact O-N 3.06Å; I203-G206 PolarHBondContact O-N 3.48Å; I203-G206 VanDerWaalsContact O-N 3.15Å; G206-T210 PolarHBondContact O-N 3.38Å; G206-T210 PolarHBondContact O-OG1 3.3Å; G206-Y231 PolarHBondContact O-OH 3.4Å
207V87.1Confident81.6Confident69 Ų6972.2 Ų72.242%0.41841%0.407SS..Hα-helixtrans-64-46.6174.4174.30000110.7I203 L209 T210 V211I203-V207 HydrophobicContact CG2-CG2 4.39Å; I203-V207 WeakPolarHBondContact O-CG2 3.15Å; I203-V207 PolarHBondContact O-N 3.26Å; V207-L209 PolarHBondContact O-N 3.44Å; V207-T210 WeakPolarHBondContact O-CB 3.3Å; V207-T210 PolarHBondContact O-N 3.11Å; V207-T210 VanDerWaalsContact O-N 3.09Å; V207-V211 PolarHBondContact O-N 3.49Å
208G87.1Confident81.2Confident44 Ų4478.8 Ų78.845%0.45442%0.424SS..Hα-helixtrans-59.6-43.2177.300000113.3F204 I205 T210 G212F204-G208 PolarHBondContact O-N 2.94Å; I205-G208 PolarHBondContact O-N 3Å; G208-T210 VanDerWaalsContact C-N 3.3Å; G208-T210 PolarHBondContact O-N 3.17Å; G208-G212 PolarHBondContact O-N 2.93Å
209L84.7Confident81Confident89 Ų8985 Ų8547%0.46644%0.441SS..Hα-helixtrans-64.1-33.5173.6-75.1169.7000112.7I205 V207 T213 W227I205-L209 HydrophobicContact CG2-CD1 3.85Å; I205-L209 HydrophobicContact CG2-CG 4.33Å; I205-L209 WeakPolarHBondContact O-CB 3.39Å; I205-L209 VanDerWaalsContact O-CG 3.31Å; I205-L209 WeakPolarHBondContact O-CG 3.49Å; I205-L209 PolarHBondContact O-N 3.33Å; V207-L209 PolarHBondContact O-N 3.44Å; L209-T213 VanDerWaalsContact O-CB 3.24Å; L209-T213 WeakPolarHBondContact O-CB 3.36Å; L209-T213 PolarHBondContact O-N 2.94Å; L209-T213 PolarHBondContact O-OG1 2.95Å; L209-W227 PolarHBondContact O-NE1 3.48Å
210T84.6Confident81Confident28 Ų2890 Ų9017%0.17246%0.463CS..Hα-helixtrans-71-48.1179.3-54.60000111.1G206 V207 G208 Q214 W227 Y231G206-T210 PolarHBondContact O-N 3.38Å; G206-T210 PolarHBondContact O-OG1 3.3Å; V207-T210 WeakPolarHBondContact O-CB 3.3Å; V207-T210 PolarHBondContact O-N 3.11Å; V207-T210 VanDerWaalsContact O-N 3.09Å; G208-T210 VanDerWaalsContact C-N 3.3Å; G208-T210 PolarHBondContact O-N 3.17Å; T210-Q214 WeakPolarHBondContact O-CB 3.41Å; T210-Q214 PolarHBondContact O-N 3.39Å; T210-W227 HydrophobicContact CG2-CD2 4.13Å; T210-W227 HydrophobicContact CG2-CE3 4.17Å; T210-W227 HydrophobicContact CG2-CH2 4.29Å; T210-W227 HydrophobicContact CG2-CZ2 4.25Å; T210-W227 HydrophobicContact CG2-CZ3 4.25Å; T210-W227 VanDerWaalsContact O-CZ2 3.3Å; T210-W227 WeakPolarHBondContact O-CZ2 3.47Å; T210-Y231 VanDerWaalsContact OG1-CE2 3.28Å; T210-Y231 WeakPolarHBondContact OG1-CE2 3.46Å; T210-Y231 PolarHBondContact OG1-OH 3.38Å
211V87.3Confident80.8Confident90 Ų9093.3 Ų93.355%0.54548%0.477SS..Hα-helixtrans-68-48178178.70000111V207 T213 Q214V207-V211 PolarHBondContact O-N 3.49Å; V211-T213 VanDerWaalsContact C-N 3.26Å; V211-T213 PolarHBondContact O-N 2.95Å; V211-Q214 VanDerWaalsContact O-CB 3.27Å; V211-Q214 WeakPolarHBondContact O-CB 3.41Å; V211-Q214 PolarHBondContact O-N 2.92Å
212G84.1Confident80.6Confident70 Ų7092.2 Ų92.272%0.72248%0.482SS*.Hα-helixtrans-68.5-18.9-17700000115.2G208G208-G212 PolarHBondContact O-N 2.93Å
213T85.2Confident80.7Confident41 Ų4190.6 Ų90.625%0.25247%0.47SS..THydrogen-bonded Turntrans-108.88.7178.5-32.10000112.1L209 V211 D215 F216 S217 T223L209-T213 VanDerWaalsContact O-CB 3.24Å; L209-T213 WeakPolarHBondContact O-CB 3.36Å; L209-T213 PolarHBondContact O-N 2.94Å; L209-T213 PolarHBondContact O-OG1 2.95Å; V211-T213 VanDerWaalsContact C-N 3.26Å; V211-T213 PolarHBondContact O-N 2.95Å; T213-D215 PolarHBondContact O-N 2.85Å; T213-F216 HydrophobicContact CG2-CB 3.96Å; T213-F216 PolarHBondContact O-N 3.28Å; T213-S217 WeakPolarHBondContact O-CB 3.47Å; T213-S217 PolarHBondContact O-N 3.35Å; T213-T223 HydrophobicContact CG2-CG2 3.58Å
214Q76.3Confident80.7Confident114 Ų11493.1 Ų93.153%0.53348%0.477SS..THydrogen-bonded Turntrans-64.8-37.4-170-161168.53.100113.2T210 V211 S217T210-Q214 WeakPolarHBondContact O-CB 3.41Å; T210-Q214 PolarHBondContact O-N 3.39Å; V211-Q214 VanDerWaalsContact O-CB 3.27Å; V211-Q214 WeakPolarHBondContact O-CB 3.41Å; V211-Q214 PolarHBondContact O-N 2.92Å; Q214-S217 WeakPolarHBondContact O-CB 3.37Å
215D76.3Confident80.6Confident137 Ų13790.4 Ų90.473%0.73347%0.472SS*.THydrogen-bonded Turntrans-72.9-35.8175.6-66-62.9000112.8T213T213-D215 PolarHBondContact O-N 2.85Å
216F72.6Confident80.5Confident125 Ų12588.9 Ų88.955%0.54847%0.47SS..G310 helixtrans-73.7-31.1-180-158.2-93.5000112.2T213 R218 R219 F220T213-F216 HydrophobicContact CG2-CB 3.96Å; T213-F216 PolarHBondContact O-N 3.28Å; F216-R218 PolarHBondContact O-N 3.38Å; F216-R218 VanDerWaalsContact O-N 3.14Å; F216-R219 PolarHBondContact O-N 3.09Å; F216-F220 HydrophobicContact CD1-CD2 4.11Å; F216-F220 AromaticContact CE1-CD2 3.46Å; F216-F220 HydrophobicContact CE1-CD2 3.46Å; F216-F220 VanDerWaalsContact CE1-CD2 3.46Å; F216-F220 AromaticContact CE1-CE2 3.95Å; F216-F220 HydrophobicContact CE1-CE2 3.95Å; F216-F220 HydrophobicContact CE1-CG 4.36Å; F216-F220 AromaticContact CZ-CD2 3.85Å; F216-F220 HydrophobicContact CZ-CD2 3.85Å; F216-F220 AromaticContact CZ-CE2 3.84Å; F216-F220 HydrophobicContact CZ-CE2 3.84Å
217S68.5Low80.6Confident3 Ų390.3 Ų90.32%0.02147%0.474CS..G310 helixtrans-54.5-28.8176.3176.90000114T213 Q214 R219 Y224 W227T213-S217 WeakPolarHBondContact O-CB 3.47Å; T213-S217 PolarHBondContact O-N 3.35Å; Q214-S217 WeakPolarHBondContact O-CB 3.37Å; S217-R219 PolarHBondContact O-N 3.35Å; S217-Y224 WeakPolarHBondContact O-CE2 3.4Å; S217-Y224 WeakPolarHBondContact OG-CE1 3.28Å; S217-Y224 WeakPolarHBondContact OG-CE2 3.31Å; S217-Y224 PolarHBondContact OG-OH 3.23Å; S217-W227 VanDerWaalsContact OG-CH2 3.29Å; S217-W227 WeakPolarHBondContact OG-CH2 3.47Å
218R69.9Low80.6Confident216 Ų21690 Ų9082%0.81548%0.478SS*.G310 helixtrans-69.1-15.2178-68.5-176.4173.9-174.1-0.6113.6F216F216-R218 PolarHBondContact O-N 3.38Å; F216-R218 VanDerWaalsContact O-N 3.14Å
219R75.9Confident80.5Confident214 Ų21492.2 Ų92.281%0.80848%0.479SS*.THydrogen-bonded Turntrans-108.5-23.1-174.9-159.2139.5-169.8159.52.1114.3F216 S217F216-R219 PolarHBondContact O-N 3.09Å; S217-R219 PolarHBondContact O-N 3.35Å
220F78.8Confident80.4Confident110 Ų11089.6 Ų89.648%0.48247%0.47SS..  trans-135112.3-179.1-68.4-80.6000111.6F216 A222 T223F216-F220 HydrophobicContact CD1-CD2 4.11Å; F216-F220 AromaticContact CE1-CD2 3.46Å; F216-F220 HydrophobicContact CE1-CD2 3.46Å; F216-F220 VanDerWaalsContact CE1-CD2 3.46Å; F216-F220 AromaticContact CE1-CE2 3.95Å; F216-F220 HydrophobicContact CE1-CE2 3.95Å; F216-F220 HydrophobicContact CE1-CG 4.36Å; F216-F220 AromaticContact CZ-CD2 3.85Å; F216-F220 HydrophobicContact CZ-CD2 3.85Å; F216-F220 AromaticContact CZ-CE2 3.84Å; F216-F220 HydrophobicContact CZ-CE2 3.84Å; F220-A222 PolarHBondContact O-N 3.11Å; F220-A222 VanDerWaalsContact O-N 3.09Å; F220-T223 WeakPolarHBondContact O-CB 3.29Å; F220-T223 PolarHBondContact O-N 3.28Å; F220-T223 PolarHBondContact O-OG1 3.38Å
221H78.6Confident80.4Confident159 Ų15993 Ų9374%0.73648%0.48SS*.THydrogen-bonded Turntrans-60.5-21.9177.9-72.3-81.6000113.8T223 Y224H221-T223 PolarHBondContact O-N 2.91Å; H221-Y224 PolarHBondContact O-N 2.91Å; H221-Y224 VanDerWaalsContact O-N 3.15Å
222A79Confident80.5Confident72 Ų7293.5 Ų93.560%0.59548%0.479SS*.Hα-helixtrans-57.3-27.6173.400000113.4F220 Y224 V225 S226F220-A222 PolarHBondContact O-N 3.11Å; F220-A222 VanDerWaalsContact O-N 3.09Å; A222-Y224 VanDerWaalsContact C-N 3.35Å; A222-Y224 PolarHBondContact O-N 3.39Å; A222-V225 PolarHBondContact O-N 3.48Å; A222-S226 PolarHBondContact O-N 2.95Å; A222-S226 VanDerWaalsContact O-N 3.08Å
223T82.7Confident80.5Confident13 Ų1394.7 Ų94.78%0.0847%0.469CS..Hα-helixtrans-66.3-33.9177.6-51.90000112.5T213 F220 H221 V225 S226 W227T213-T223 HydrophobicContact CG2-CG2 3.58Å; F220-T223 WeakPolarHBondContact O-CB 3.29Å; F220-T223 PolarHBondContact O-N 3.28Å; F220-T223 PolarHBondContact O-OG1 3.38Å; H221-T223 PolarHBondContact O-N 2.91Å; T223-V225 VanDerWaalsContact C-N 3.35Å; T223-S226 PolarHBondContact O-OG 3.15Å; T223-W227 HydrophobicContact CG2-CD2 4.43Å; T223-W227 HydrophobicContact CG2-CZ2 3.87Å; T223-W227 VanDerWaalsContact O-CG 3.23Å; T223-W227 PolarHBondContact O-N 3.37Å; T223-W227 VanDerWaalsContact O-N 3.12Å
224Y82.2Confident80.3Confident115 Ų11593 Ų9345%0.45146%0.459SS..Hα-helixtrans-69-35.2174.1-67.6-81.5000112S217 H221 A222 W227 A228S217-Y224 WeakPolarHBondContact O-CE2 3.4Å; S217-Y224 WeakPolarHBondContact OG-CE1 3.28Å; S217-Y224 WeakPolarHBondContact OG-CE2 3.31Å; S217-Y224 PolarHBondContact OG-OH 3.23Å; H221-Y224 PolarHBondContact O-N 2.91Å; H221-Y224 VanDerWaalsContact O-N 3.15Å; A222-Y224 VanDerWaalsContact C-N 3.35Å; A222-Y224 PolarHBondContact O-N 3.39Å; Y224-W227 AromaticContact CD1-CE3 3.86Å; Y224-W227 HydrophobicContact CD1-CE3 3.86Å; Y224-W227 AromaticContact CD1-CZ3 3.82Å; Y224-W227 HydrophobicContact CD1-CZ3 3.82Å; Y224-W227 HydrophobicContact CE1-CE3 4.28Å; Y224-W227 AromaticContact CE1-CZ3 3.75Å; Y224-W227 HydrophobicContact CE1-CZ3 3.75Å; Y224-W227 PolarHBondContact O-N 2.86Å; Y224-A228 WeakPolarHBondContact O-CB 3.17Å; Y224-A228 PolarHBondContact O-N 3.4Å
225V84.4Confident80.7Confident88 Ų8892.3 Ų92.353%0.53346%0.458SS..Hα-helixtrans-67.7-41.3177.6-177.40000110.7A222 T223 A228 I229A222-V225 PolarHBondContact O-N 3.48Å; T223-V225 VanDerWaalsContact C-N 3.35Å; V225-A228 PolarHBondContact O-N 2.75Å; V225-I229 HydrophobicContact CG1-CD1 3.97Å; V225-I229 WeakPolarHBondContact O-CG1 3.27Å; V225-I229 PolarHBondContact O-N 2.85Å
226S83.1Confident81.1Confident65 Ų6590 Ų9046%0.45545%0.445SS..Hα-helixtrans-67-38.3176.565.90000112.5A222 T223 I229 A230A222-S226 PolarHBondContact O-N 2.95Å; A222-S226 VanDerWaalsContact O-N 3.08Å; T223-S226 PolarHBondContact O-OG 3.15Å; S226-I229 PolarHBondContact O-N 3.34Å; S226-A230 WeakPolarHBondContact O-CB 3.26Å; S226-A230 PolarHBondContact O-N 2.92Å
227W84.5Confident81.4Confident34 Ų3486.4 Ų86.413%0.12944%0.435CS..Hα-helixtrans-60.4-48.6170.9-64.9-13.9000111.9L209 T210 S217 T223 Y224 I229 A230 Y231L209-W227 PolarHBondContact O-NE1 3.48Å; T210-W227 HydrophobicContact CG2-CD2 4.13Å; T210-W227 HydrophobicContact CG2-CE3 4.17Å; T210-W227 HydrophobicContact CG2-CH2 4.29Å; T210-W227 HydrophobicContact CG2-CZ2 4.25Å; T210-W227 HydrophobicContact CG2-CZ3 4.25Å; T210-W227 VanDerWaalsContact O-CZ2 3.3Å; T210-W227 WeakPolarHBondContact O-CZ2 3.47Å; S217-W227 VanDerWaalsContact OG-CH2 3.29Å; S217-W227 WeakPolarHBondContact OG-CH2 3.47Å; T223-W227 HydrophobicContact CG2-CD2 4.43Å; T223-W227 HydrophobicContact CG2-CZ2 3.87Å; T223-W227 VanDerWaalsContact O-CG 3.23Å; T223-W227 PolarHBondContact O-N 3.37Å; T223-W227 VanDerWaalsContact O-N 3.12Å; Y224-W227 AromaticContact CD1-CE3 3.86Å; Y224-W227 HydrophobicContact CD1-CE3 3.86Å; Y224-W227 AromaticContact CD1-CZ3 3.82Å; Y224-W227 HydrophobicContact CD1-CZ3 3.82Å; Y224-W227 HydrophobicContact CE1-CE3 4.28Å; Y224-W227 AromaticContact CE1-CZ3 3.75Å; Y224-W227 HydrophobicContact CE1-CZ3 3.75Å; Y224-W227 PolarHBondContact O-N 2.86Å; W227-I229 VanDerWaalsContact C-N 3.32Å; W227-I229 PolarHBondContact O-N 2.94Å; W227-A230 PolarHBondContact O-N 2.73Å; W227-Y231 HydrophobicContact CB-CD2 4.47Å; W227-Y231 HydrophobicContact CB-CE2 4.46Å; W227-Y231 WeakPolarHBondContact O-CD2 3.27Å; W227-Y231 PolarHBondContact O-N 3.41Å
228A86.1Confident81.9Confident62 Ų6289 Ų8951%0.51245%0.449SS..Hα-helixtrans-58.5-42.2179.200000112.2Y224 V225 L232Y224-A228 WeakPolarHBondContact O-CB 3.17Å; Y224-A228 PolarHBondContact O-N 3.4Å; V225-A228 PolarHBondContact O-N 2.75Å; A228-L232 VanDerWaalsContact O-CB 3.25Å; A228-L232 WeakPolarHBondContact O-CB 3.45Å; A228-L232 PolarHBondContact O-N 2.99Å
229I85.4Confident82.4Confident92 Ų9283.5 Ų83.547%0.47243%0.434SS..Hα-helixtrans-65.5-44.1175.7-68167.2000111.2V225 S226 W227 L232 I233V225-I229 HydrophobicContact CG1-CD1 3.97Å; V225-I229 WeakPolarHBondContact O-CG1 3.27Å; V225-I229 PolarHBondContact O-N 2.85Å; S226-I229 PolarHBondContact O-N 3.34Å; W227-I229 VanDerWaalsContact C-N 3.32Å; W227-I229 PolarHBondContact O-N 2.94Å; I229-L232 PolarHBondContact O-N 2.95Å; I229-I233 HydrophobicContact CG2-CD1 3.77Å; I229-I233 HydrophobicContact CG2-CG1 4.47Å; I229-I233 WeakPolarHBondContact O-CG1 3.3Å; I229-I233 PolarHBondContact O-N 3.31Å
230A83.1Confident82.5Confident34 Ų3480.9 Ų80.928%0.28142%0.424SS..Hα-helixtrans-61.7-45.4178.800000112.2S226 W227 I233 G234S226-A230 WeakPolarHBondContact O-CB 3.26Å; S226-A230 PolarHBondContact O-N 2.92Å; W227-A230 PolarHBondContact O-N 2.73Å; A230-I233 PolarHBondContact O-N 3.3Å; A230-G234 PolarHBondContact O-N 3.44Å
231Y85Confident82.1Confident99 Ų9975.9 Ų75.939%0.38840%0.404SS..Hα-helixtrans-66.6-38.2175.3-75.7-64000112.8G206 T210 W227 G234 L235G206-Y231 PolarHBondContact O-OH 3.4Å; T210-Y231 VanDerWaalsContact OG1-CE2 3.28Å; T210-Y231 WeakPolarHBondContact OG1-CE2 3.46Å; T210-Y231 PolarHBondContact OG1-OH 3.38Å; W227-Y231 HydrophobicContact CB-CD2 4.47Å; W227-Y231 HydrophobicContact CB-CE2 4.46Å; W227-Y231 WeakPolarHBondContact O-CD2 3.27Å; W227-Y231 PolarHBondContact O-N 3.41Å; Y231-G234 PolarHBondContact O-N 3.25Å; Y231-L235 VanDerWaalsContact O-CB 3.27Å; Y231-L235 WeakPolarHBondContact O-CB 3.24Å; Y231-L235 PolarHBondContact O-N 3.24Å
232L88.4Confident81.8Confident100 Ų10072 Ų7252%0.52439%0.394SS..Hα-helixtrans-62.9-44.5176.5-176.366.2000111.7A228 I229 L235 I236A228-L232 VanDerWaalsContact O-CB 3.25Å; A228-L232 WeakPolarHBondContact O-CB 3.45Å; A228-L232 PolarHBondContact O-N 2.99Å; I229-L232 PolarHBondContact O-N 2.95Å; L232-L235 PolarHBondContact O-N 2.99Å; L232-I236 HydrophobicContact CD1-CD1 4.3Å; L232-I236 HydrophobicContact CG-CD1 4.03Å; L232-I236 VanDerWaalsContact O-CG1 3.26Å; L232-I236 WeakPolarHBondContact O-CG1 3.33Å; L232-I236 PolarHBondContact O-N 3.44Å
233I83.9Confident81.6Confident96 Ų9676.1 Ų76.149%0.49240%0.395SS..Hα-helixtrans-63.4-46.6175.8-67.5168.2000110.4I229 A230 L235 I236 C237I229-I233 HydrophobicContact CG2-CD1 3.77Å; I229-I233 HydrophobicContact CG2-CG1 4.47Å; I229-I233 WeakPolarHBondContact O-CG1 3.3Å; I229-I233 PolarHBondContact O-N 3.31Å; A230-I233 PolarHBondContact O-N 3.3Å; I233-L235 VanDerWaalsContact C-N 3.34Å; I233-L235 PolarHBondContact O-N 3.3Å; I233-I236 PolarHBondContact O-N 3.09Å; I233-C237 WeakPolarHBondContact O-CB 3.25Å; I233-C237 PolarHBondContact O-N 3.03Å; I233-C237 PolarHBondContact O-SG 2.97Å
234G82.6Confident80.8Confident5 Ų581.6 Ų81.65%0.05241%0.414CS..Hα-helixtrans-57.4-44175.800000112.9A230 Y231 C237 L238A230-G234 PolarHBondContact O-N 3.44Å; Y231-G234 PolarHBondContact O-N 3.25Å; G234-C237 PolarHBondContact O-N 3.21Å; G234-L238 WeakPolarHBondContact O-CB 3.29Å; G234-L238 PolarHBondContact O-N 2.87Å
235L83.6Confident79.8Confident99 Ų9978.3 Ų78.352%0.51842%0.415SS..Hα-helixtrans-64.1-45.1177.2-177.566000112Y231 L232 I233 C237 L238 I239Y231-L235 VanDerWaalsContact O-CB 3.27Å; Y231-L235 WeakPolarHBondContact O-CB 3.24Å; Y231-L235 PolarHBondContact O-N 3.24Å; L232-L235 PolarHBondContact O-N 2.99Å; I233-L235 VanDerWaalsContact C-N 3.34Å; I233-L235 PolarHBondContact O-N 3.3Å; L235-C237 VanDerWaalsContact C-N 3.34Å; L235-C237 PolarHBondContact O-N 3.36Å; L235-L238 PolarHBondContact O-N 2.67Å; L235-I239 HydrophobicContact CD1-CD1 4.22Å; L235-I239 HydrophobicContact CD1-CG1 4.42Å; L235-I239 HydrophobicContact CG-CD1 3.91Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.44Å; L235-I239 PolarHBondContact O-N 3.49Å
236I84.8Confident78.7Confident88 Ų8878 Ų7845%0.45142%0.422SS..Hα-helixtrans-62.1-42.8176.8-69.6165.1000110.7L232 I233 R240L232-I236 HydrophobicContact CD1-CD1 4.3Å; L232-I236 HydrophobicContact CG-CD1 4.03Å; L232-I236 VanDerWaalsContact O-CG1 3.26Å; L232-I236 WeakPolarHBondContact O-CG1 3.33Å; L232-I236 PolarHBondContact O-N 3.44Å; I233-I236 PolarHBondContact O-N 3.09Å; I236-R240 WeakPolarHBondContact O-CG 3.4Å; I236-R240 PolarHBondContact O-N 2.97Å; I236-R240 VanDerWaalsContact O-N 3.11Å
237C78.4Confident77.8Confident50 Ų5078.3 Ų78.334%0.33842%0.418SS..Hα-helixtrans-60.8-43.9174.2-75.90000112I233 G234 L235 R240 A241I233-C237 WeakPolarHBondContact O-CB 3.25Å; I233-C237 PolarHBondContact O-N 3.03Å; I233-C237 PolarHBondContact O-SG 2.97Å; G234-C237 PolarHBondContact O-N 3.21Å; L235-C237 VanDerWaalsContact C-N 3.34Å; L235-C237 PolarHBondContact O-N 3.36Å; C237-R240 PolarHBondContact O-N 3.4Å; C237-A241 PolarHBondContact O-N 2.95Å
238L78.6Confident76.3Confident59 Ų5985.7 Ų85.731%0.30945%0.446SS..Hα-helixtrans-68.2-43.1179.8-166151.7000112.1I203 G234 L235 R240 A241 C242I203-L238 HydrophobicContact CD1-CD1 3.43Å; I203-L238 VanDerWaalsContact CD1-CD1 3.43Å; G234-L238 WeakPolarHBondContact O-CB 3.29Å; G234-L238 PolarHBondContact O-N 2.87Å; L235-L238 PolarHBondContact O-N 2.67Å; L238-R240 VanDerWaalsContact C-N 3.28Å; L238-R240 PolarHBondContact O-N 3.45Å; L238-A241 WeakPolarHBondContact O-CB 3.46Å; L238-A241 PolarHBondContact O-N 2.93Å; L238-A241 VanDerWaalsContact O-N 3.09Å; L238-C242 PolarHBondContact O-N 3.22Å; L238-C242 PolarHBondContact O-SG 3.36Å
239I80.8Confident74.9Confident100 Ų10084.9 Ų84.951%0.51343%0.434SS..Hα-helixtrans-57.2-43.3174.4-70.6166.2000110.5L235 C242 Y243L235-I239 HydrophobicContact CD1-CD1 4.22Å; L235-I239 HydrophobicContact CD1-CG1 4.42Å; L235-I239 HydrophobicContact CG-CD1 3.91Å; L235-I239 VanDerWaalsContact O-CG1 3.29Å; L235-I239 WeakPolarHBondContact O-CG1 3.44Å; L235-I239 PolarHBondContact O-N 3.49Å; I239-C242 PolarHBondContact O-N 2.97Å; I239-Y243 WeakPolarHBondContact O-CB 3.46Å; I239-Y243 PolarHBondContact O-N 2.97Å
240R79.4Confident73.5Confident158 Ų15880.5 Ų80.560%0.59641%0.412SS*.Hα-helixtrans-64.9-43.3175.1-68.3-178.377.681.2-2.1111.5I236 C237 L238 C242 Y243 W244I236-R240 WeakPolarHBondContact O-CG 3.4Å; I236-R240 PolarHBondContact O-N 2.97Å; I236-R240 VanDerWaalsContact O-N 3.11Å; C237-R240 PolarHBondContact O-N 3.4Å; L238-R240 VanDerWaalsContact C-N 3.28Å; L238-R240 PolarHBondContact O-N 3.45Å; R240-C242 PolarHBondContact O-N 3.12Å; R240-Y243 WeakPolarHBondContact O-CB 3.33Å; R240-Y243 PolarHBondContact O-N 3.17Å; R240-W244 PolarHBondContact O-N 3.36Å
241A70.6Confident72.2Confident6 Ų685.8 Ų85.85%0.0543%0.426CS..Hα-helixtrans-59.7-44.8176.200000112V196 C237 L238 W244 G245V196-A241 HydrophobicContact CG2-CB 4.2Å; C237-A241 PolarHBondContact O-N 2.95Å; L238-A241 WeakPolarHBondContact O-CB 3.46Å; L238-A241 PolarHBondContact O-N 2.93Å; L238-A241 VanDerWaalsContact O-N 3.09Å; A241-W244 PolarHBondContact O-N 3.48Å; A241-G245 PolarHBondContact O-N 3.46Å
242C71.4Confident70.8Confident78 Ų7882.3 Ų82.353%0.52742%0.415SS..Hα-helixtrans-62.5-40.9174.6-720000112.7L238 I239 R240 W244 G245 A246L238-C242 PolarHBondContact O-N 3.22Å; L238-C242 PolarHBondContact O-SG 3.36Å; I239-C242 PolarHBondContact O-N 2.97Å; R240-C242 PolarHBondContact O-N 3.12Å; C242-W244 PolarHBondContact O-N 2.97Å; C242-G245 PolarHBondContact O-N 3.02Å; C242-A246 WeakPolarHBondContact O-CB 3.44Å; C242-A246 PolarHBondContact O-N 3.14Å
243Y74.9Confident69.2Low157 Ų15782.4 Ų82.462%0.61641%0.413SS*.Hα-helixtrans-58.9-45.9174.8175.9-92.8000111.9I239 R240 A246 I247I239-Y243 WeakPolarHBondContact O-CB 3.46Å; I239-Y243 PolarHBondContact O-N 2.97Å; R240-Y243 WeakPolarHBondContact O-CB 3.33Å; R240-Y243 PolarHBondContact O-N 3.17Å; Y243-A246 PolarHBondContact O-N 3.29Å; Y243-I247 HydrophobicContact CE1-CD1 4.21Å
244W65.6Low67.7Low128 Ų12884.1 Ų84.149%0.48542%0.419SS..Hα-helixtrans-70.1-31.5176.5-69.7107.5000113R240 A241 C242 I247R240-W244 PolarHBondContact O-N 3.36Å; A241-W244 PolarHBondContact O-N 3.48Å; C242-W244 PolarHBondContact O-N 2.97Å; W244-I247 HydrophobicContact CE3-CD1 3.84Å; W244-I247 HydrophobicContact CZ3-CD1 4.21Å
245G61.9Low65.9Low47 Ų4789.2 Ų89.249%0.48545%0.453SS..Hα-helixtrans-73.2-27.9175.100000114.5C192 A241 C242 I247C192-G245 VanDerWaalsContact SG-CA 3.57Å; A241-G245 PolarHBondContact O-N 3.46Å; C242-G245 PolarHBondContact O-N 3.02Å; G245-I247 VanDerWaalsContact C-N 3.26Å; G245-I247 PolarHBondContact O-N 3.28Å
246A59.8Low64Low82 Ų8293.3 Ų93.368%0.67847%0.467SS*.THydrogen-bonded Turntrans-74.3-14.7175.800000113.4C242 Y243 R248C242-A246 WeakPolarHBondContact O-CB 3.44Å; C242-A246 PolarHBondContact O-N 3.14Å; Y243-A246 PolarHBondContact O-N 3.29Å; A246-R248 PolarHBondContact O-N 3.15Å
247I65.6Low61.6Low70 Ų7097.2 Ų97.236%0.35951%0.513SS..SBendtrans-72.2111.1175.5-66.9171.9000109.3Y243 W244 G245 V249Y243-I247 HydrophobicContact CE1-CD1 4.21Å; W244-I247 HydrophobicContact CE3-CD1 3.84Å; W244-I247 HydrophobicContact CZ3-CD1 4.21Å; G245-I247 VanDerWaalsContact C-N 3.26Å; G245-I247 PolarHBondContact O-N 3.28Å; I247-V249 PolarHBondContact O-N 3.48Å
248R53.5Low60.7Low189 Ų18999.6 Ų99.671%0.71352%0.521SS*.PPolyproline II helixtrans-59.5125.5174-72.2-72-165.5169.34.1110.7A246A246-R248 PolarHBondContact O-N 3.15Å
249V56.6Low59.8Low45 Ų45101.7 Ų101.727%0.27353%0.533SS..BIsolated β-bridgetrans-90.3135.5176.5179.20000110.1I247I247-V249 PolarHBondContact O-N 3.48Å
250S54.9Low58.6Low1 Ų1101.8 Ų101.81%0.00753%0.534CS..PPolyproline II helixtrans-85134.5167.79.50000110.4V153 S181 S182V153-S250 WeakPolarHBondContact O-CB 3.16Å; S181-S250 VanDerWaalsContact CB-OG 3.27Å; S181-S250 WeakPolarHBondContact CB-OG 3.38Å; S182-S250 PolarHBondContact O-OG 3.08Å
251Y56Low57.4Low145 Ų14598.5 Ų98.557%0.56953%0.53SS*.PPolyproline II helixtrans-96.4143.7-179.8-59.9-77.2000110.9V153V153-Y251 PolarHBondContact N-O 3.24Å
252P56Low56.6Low25 Ų25104.3 Ų104.316%0.16256%0.56CS.*BIsolated β-bridgetrans-66.1149.8163.733.5-36.5000109.3T150 H254T150-P252 HydrophobicContact CG2-CB 4.39Å; P252-H254 PolarHBondContact O-N 3.19Å
253E54.4Low55.6Low103 Ų103106.1 Ų106.148%0.48156%0.562SS.*  trans-74.2109.3161.2-65.6-156.5119.400108R151 V153 S255R151-E253 PolarHBondContact O-N 3Å; V153-E253 HydrophobicContact CG2-CG 3.25Å; E253-S255 PolarHBondContact O-N 3.05Å
254H52.4Low54.2Low132 Ų132102.4 Ų102.461%0.61156%0.559SS**  trans-75.599.7158.2-71.7-73.7000106.9P252 F256P252-H254 PolarHBondContact O-N 3.19Å; H254-F256 HydrophobicContact CB-CD2 3.87Å; H254-F256 HydrophobicContact CB-CE2 3.54Å; H254-F256 HydrophobicContact CB-CZ 4.33Å; H254-F256 WeakPolarHBondContact O-CD2 3.4Å; H254-F256 PolarHBondContact O-N 3.09Å
255S43.8Very low53.3Low111 Ų111100.5 Ų100.578%0.77656%0.564SS**  trans-63.984.9167.2-59.70000109.3E253 A257E253-S255 PolarHBondContact O-N 3.05Å; S255-A257 PolarHBondContact O-N 3.2Å
256F43.9Very low52.6Low186 Ų186104.9 Ų104.982%0.81657%0.571SS**  trans-74.699.6160.3-71.1-78000107.1H254H254-F256 HydrophobicContact CB-CD2 3.87Å; H254-F256 HydrophobicContact CB-CE2 3.54Å; H254-F256 HydrophobicContact CB-CZ 4.33Å; H254-F256 WeakPolarHBondContact O-CD2 3.4Å; H254-F256 PolarHBondContact O-N 3.09Å
257A34.5Very low52Low170 Ų170107 Ų107100%1.40556%0.561SS**  trans-81.80160.500000109.4S255S255-A257 PolarHBondContact O-N 3.2Å

Retrieved 257 of 257 residues in 189.2 ms (Link to these results)