A0A077Z7T1_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7T1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 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
1M42.8Very low40Very low241 Ų241157.3 Ų157.3100%1.18786%0.855SS**  01360-79.2166.416400107.4
2S43.7Very low39.8Very low129 Ų129150.4 Ų150.490%0.90284%0.835SS**  trans61.579-171.348.10000117.6
3C34.8Very low39.7Very low112 Ų112150.8 Ų150.876%0.75783%0.832SS**  trans-82.1146.4145.3-63.80000108.6
4W39.8Very low39.3Very low248 Ų248151.6 Ų151.694%0.93983%0.834SS**  trans-174.5106.6139.6-99.490.4000107.9
5P42.6Very low39.2Very low108 Ų108151.1 Ų151.170%0.70183%0.827SS**  trans-122.1130.3153.134.1-22000109
6L41.4Very low38.9Very low153 Ų153152.3 Ų152.380%0.80183%0.831SS**  trans-174.3114.7159.4-102.3135.5000110.6
7S37.4Very low38.7Very low108 Ų108151.9 Ų151.976%0.75584%0.835SS**  47.794.6128.9-178.50000117.8
8L40.4Very low38.5Very low158 Ų158148.1 Ų148.183%0.82783%0.827SS**  trans-156.623.4165.4-110.9169.1000116.8
9F39.2Very low38.2Very low211 Ų211151 Ų15193%0.92583%0.83SS**  trans-127.558.3173-95.7-87000112.1
10A37.4Very low37.9Very low85 Ų85150.4 Ų150.470%0.70284%0.835SS**  trans-113.9139.114900000105.7
11I40.1Very low37.8Very low177 Ų177148.2 Ų148.291%0.90883%0.83SS**  trans97.976-168.9-50.2157.3000112.2
12A37.8Very low37.4Very low75 Ų75148.8 Ų148.862%0.6282%0.819SS**  trans-146.4104.7154.600000110
13I38.4Very low36.9Very low155 Ų155146.5 Ų146.580%0.79582%0.816SS**  trans78.381.3141.6-50.7172.3000116
14L33.9Very low36.7Very low163 Ų163144.3 Ų144.385%0.85381%0.813SS**  trans-46.1148.2134.4-130.4102.3000110.5
15I37.9Very low36.3Very low144 Ų144144.3 Ų144.374%0.73881%0.814SS**  trans108.888.1174.8-54.6155.9000112.5
16L34.6Very low35.7Very low169 Ų169144.4 Ų144.489%0.88582%0.817SS**  trans-162.171.4138.2-122.8107.7000109.6A18L16-A18 PolarHBondContact O-N 3.49Å
17T35.4Very low35.2Very low147 Ų147141.8 Ų141.890%0.90281%0.812SS**  trans-85.895.7158.844.70000108.1
18A34.7Very low35Very low83 Ų83145.7 Ų145.769%0.68682%0.816SS**  trans-99.2116.2168.500000109.4L16 C20L16-A18 PolarHBondContact O-N 3.49Å; A18-C20 PolarHBondContact O-N 3.46Å
19K33.8Very low34.7Very low203 Ų203145 Ų14588%0.88381%0.813SS**  trans-56.7124.3167.3-78168.8168.5170.20110.3
20C32.8Very low34.3Very low139 Ų139143.5 Ų143.594%0.93981%0.809SS**  trans-114.7102151.1-82.50000107.8A18A18-C20 PolarHBondContact O-N 3.46Å
21S34Very low34.1Very low104 Ų104146.8 Ų146.873%0.72782%0.815SS**  trans-131.1112.6175.7169.40000107
22R35.3Very low34Very low253 Ų253143.8 Ų143.896%0.95580%0.804SS**  trans176.8135.2146.4-104170.1-177.4-170.90.7112.7
23G34.3Very low34.1Very low82 Ų82145 Ų14585%0.84581%0.808SS**  trans101.4105.6165.600000112
24G30.1Very low34.2Very low66 Ų66145.1 Ų145.168%0.6881%0.81SS**  cis11885.120.300000108.8
25Y31.4Very low34.5Very low248 Ų248142.5 Ų142.597%0.97380%0.803SS**  trans-149.5119153.2-88.8-76.9000107.7
26S30.2Very low34.5Very low109 Ų109145.2 Ų145.276%0.76281%0.81SS**  trans-106.7158.6-175.136.80000111.2
27S31.1Very low34.8Very low99 Ų99146.5 Ų146.569%0.69281%0.811SS**  trans96.6106.6156.6-26.30000116.2
28F32.4Very low34.9Very low189 Ų189144.3 Ų144.383%0.82980%0.802SS**  -165.912394.9-113.8-84.5000112.1
29D33.3Very low34.9Very low144 Ų144147.9 Ų147.977%0.7781%0.808SS**  trans51.6130.9156.5-90.9-65000126.2
30Q30.6Very low35Very low179 Ų179143.6 Ų143.684%0.83680%0.801SS**  trans-92.7154.1-179-65.6172.1-12.200110.8
31N34.5Very low35.2Very low155 Ų155142.9 Ų142.983%0.82979%0.792SS**  trans-155133.8140-134.3-22.7000113.3
32V38.5Very low35.1Very low114 Ų114145 Ų14569%0.69180%0.795SS**  trans82.896.6155.2-160.50000120.8
33S39Very low34.8Very low101 Ų101140.7 Ų140.771%0.70679%0.789SS**  trans14.1138.8131.953.60000119.9
34N41.3Very low34.7Very low156 Ų156146.4 Ų146.483%0.83479%0.794SS**  -173.6147.153.3-148-1.7000109.3
35P39.5Very low34.6Very low108 Ų108147.4 Ų147.470%0.70180%0.796SS**  trans-110.5150.2-176.337.6-27.4000114.1
36K38.8Very low34.4Very low201 Ų201141.6 Ų141.687%0.87479%0.787SS**  trans167.4108.4145.3-98170.5-177.2-177.60110.2
37E41Very low34.3Very low197 Ų197142.5 Ų142.592%0.92179%0.788SS**  173.9138.2121.1-95.3-177.2170.600110.8
38S36.7Very low34.4Very low101 Ų101141.6 Ų141.671%0.70678%0.781SS**  trans-79.7148.5-173.541.30000113.5
39I35.3Very low34.5Very low157 Ų157138.3 Ų138.381%0.80578%0.777SS**  163.8136.5129.1-81155.4000108.9
40P36Very low34.8Very low114 Ų114138 Ų13874%0.7477%0.769SS**  trans-100.8143.7-166.137-29.7000113.4
41T35.9Very low35.7Very low123 Ų123135.5 Ų135.576%0.75576%0.757SS**  trans-165.1141.3159.2-11.40000114
42L32.7Very low36.2Very low150 Ų150133.3 Ų133.379%0.78575%0.751SS**  trans67.4113.2150.8-92.2113.5000121.6
43L29Very low36.9Very low161 Ų161129.6 Ų129.684%0.84373%0.733SS**  43.9100.9117.5-128.591.8000118
44Q32.1Very low37.5Very low202 Ų202131 Ų13194%0.94473%0.731SS**  trans-161.5117.7140.5-115.6163.94.800111.4
45A28.2Very low38.3Very low88 Ų88126.8 Ų126.873%0.72771%0.711SS**  trans-90.1150.317200000110
46T27.4Very low39Very low126 Ų126123.7 Ų123.777%0.77369%0.692SS**  trans65.681.4156.8-170000117
47V27.6Very low39.5Very low128 Ų128121 Ų12178%0.77670%0.695SS**  trans-100.4106.4154.1179.10000107.3T49V47-T49 HydrophobicContact CG1-CG2 4.26Å; V47-T49 PolarHBondContact O-N 3.22Å
48S32.4Very low40.7Very low80 Ų80114 Ų11456%0.55968%0.676SS**  trans-68100.1161.6-63.10000107.3F50S48-F50 PolarHBondContact O-N 3.24Å
49T34.2Very low42Very low119 Ų119110 Ų11073%0.7365%0.651SS**  trans-67.2101.317346.30000108.7V47 Q51V47-T49 HydrophobicContact CG1-CG2 4.26Å; V47-T49 PolarHBondContact O-N 3.22Å; T49-Q51 PolarHBondContact O-N 3.12Å
50F41.1Very low43.7Very low138 Ų138104.9 Ų104.961%0.60563%0.629SS**PPolyproline II helixtrans-64.4120.4157.7-94-89.7000107.3S48S48-F50 PolarHBondContact O-N 3.24Å
51Q48Very low45.6Very low126 Ų126102 Ų10259%0.58961%0.605SS**PPolyproline II helixtrans-65.2143.8171.1-76.5-177.8-22.700109.4T49 A53 M65T49-Q51 PolarHBondContact O-N 3.12Å; Q51-A53 PolarHBondContact O-N 3.06Å; Q51-M65 PolarHBondContact OE1-SD 3.28Å; Q51-M65 VanDerWaalsContact OE1-SD 3.34Å
52P46Very low47.4Very low110 Ų11096.8 Ų96.871%0.71457%0.574SS**PPolyproline II helixtrans-57.9135.4179.623.9-32.8000110.1L54P52-L54 PolarHBondContact O-N 3.04Å
53A52.1Low49.5Very low36 Ų3690.8 Ų90.830%0.29854%0.544SS..PPolyproline II helixtrans-58.2127.4172.500000109.3Q51 V64 L281Q51-A53 PolarHBondContact O-N 3.06Å; A53-V64 HydrophobicContact CB-CG2 4.48Å; A53-L281 HydrophobicContact CB-CD1 4.1Å
54L53.1Low51.8Low129 Ų12983.4 Ų83.468%0.67551%0.506SS*.EExtended strand (participates in β ladder)trans-88.8119.8178.3-71.8160.9000107.8P52 C63P52-L54 PolarHBondContact O-N 3.04Å; L54-C63 PolarHBondContact N-O 2.98Å; L54-C63 PolarHBondContact O-N 3.12Å
55V56.4Low53.4Low68 Ų6877.2 Ų77.241%0.41248%0.478SS..EExtended strand (participates in β ladder)trans-80.8123.9166.8-178.70000107
56S54.1Low55.3Low43 Ų4376.5 Ų76.530%0.30146%0.461SS..PPolyproline II helixtrans-59.2143177.7178.30000110.6G58 G59 H61S56-G58 PolarHBondContact O-N 3.2Å; S56-G59 PolarHBondContact O-N 3.04Å; S56-H61 PolarHBondContact N-O 3.33Å; S56-H61 VanDerWaalsContact N-O 3.16Å
57P49.9Very low56.4Low145 Ų14573.7 Ų73.794%0.94245%0.451SS*.THydrogen-bonded Turntrans-56.44.9178.4-25.933.9000117.7
58G66.6Low57.6Low51 Ų5173.1 Ų73.153%0.52645%0.448SS..THydrogen-bonded Turntrans-117.86.6170.300000114.7S56 S60S56-G58 PolarHBondContact O-N 3.2Å; G58-S60 PolarHBondContact O-N 3.41Å
59G63.4Low57.9Low17 Ų1771.8 Ų71.818%0.17545%0.446CS..SBendtrans70.3-11.2-179.700000115.7S56 H61 Q273S56-G59 PolarHBondContact O-N 3.04Å; G59-H61 VanDerWaalsContact C-N 3.28Å; G59-H61 PolarHBondContact O-N 3.42Å; G59-Q273 VanDerWaalsContact C-OE1 3.31Å; G59-Q273 PolarHBondContact O-NE2 3.5Å; G59-Q273 PolarHBondContact O-OE1 3.35Å
60S72.5Confident57.8Low48 Ų4871.1 Ų71.134%0.33645%0.445SS..SBendtrans-75.4-11.6-171.850.70000115.1G58 P84G58-S60 PolarHBondContact O-N 3.41Å; S60-P84 VanDerWaalsContact O-CD 3.22Å; S60-P84 WeakPolarHBondContact O-CD 3.34Å
61H74.3Confident57.2Low54 Ų5469.2 Ų69.225%0.2545%0.448CS..  trans-140.6138.1-170.2-50.5-59.2000113.4S56 G59 F82 L89S56-H61 PolarHBondContact N-O 3.33Å; S56-H61 VanDerWaalsContact N-O 3.16Å; G59-H61 VanDerWaalsContact C-N 3.28Å; G59-H61 PolarHBondContact O-N 3.42Å; H61-F82 VanDerWaalsContact CA-O 3.29Å; H61-F82 WeakPolarHBondContact CA-O 3.43Å; H61-L89 WeakPolarHBondContact CE1-CD1 3.41Å; H61-L89 WeakPolarHBondContact ND1-CD1 3.33Å
62C74.7Confident56.5Low14 Ų1469.7 Ų69.710%0.09546%0.462CS..EExtended strand (participates in β ladder)trans-103.7119.9163.6-158.10000110.3C81 F82 C277C62-C81 CarbonylContact O-C 3.53Å; C62-C81 WeakPolarHBondContact O-CA 3.47Å; C62-F82 PolarHBondContact N-O 3.34Å; C62-F82 PolarHBondContact O-N 3.27Å; C62-C277 HydrophobicContact CB-CB 3.7Å; C62-C277 WeakPolarHBondContact CB-SG 3.18Å; C62-C277 WeakPolarHBondContact SG-CB 3.49Å; C62-C277 CovalentContact SG-SG 2.01Å; C62-C277 PolarHBondContact SG-SG 3.08Å
63C76.8Confident56.1Low23 Ų2372.5 Ų72.516%0.15547%0.466CS..EExtended strand (participates in β ladder)trans-104.5122.9179.5-60.50000110.2L54 V79 T80 C81L54-C63 PolarHBondContact N-O 2.98Å; L54-C63 PolarHBondContact O-N 3.12Å; C63-V79 HydrophobicContact CB-CG1 3.75Å; C63-T80 WeakPolarHBondContact CA-O 3.41Å; C63-C81 HydrophobicContact CB-CB 4.17Å; C63-C81 WeakPolarHBondContact CB-SG 3.49Å; C63-C81 WeakPolarHBondContact SG-CB 3.38Å; C63-C81 CovalentContact SG-SG 2.05Å; C63-C81 PolarHBondContact SG-SG 2.79Å
64V77Confident55.5Low7 Ų775.8 Ų75.84%0.04249%0.487CS..EExtended strand (participates in β ladder)trans-112.6129.5175.4-173.80000108.2A53 I66 T80 F82 L281A53-V64 HydrophobicContact CB-CG2 4.48Å; V64-I66 HydrophobicContact CG1-CG1 4.32Å; V64-T80 PolarHBondContact N-O 2.89Å; V64-T80 PolarHBondContact O-N 3.4Å; V64-F82 HydrophobicContact CG2-CE2 4.33Å; V64-L281 HydrophobicContact CG1-CD2 3.98Å; V64-L281 HydrophobicContact CG2-CD2 4Å
65M66.6Low55.1Low72 Ų7273.7 Ų73.736%0.35550%0.496SS..EExtended strand (participates in β ladder)trans-85.2118168.7-165.6-176.7-64.100107.9Q51 D77Q51-M65 PolarHBondContact OE1-SD 3.28Å; Q51-M65 VanDerWaalsContact OE1-SD 3.34Å; M65-D77 HydrophobicContact CG-CB 4.31Å; M65-D77 HydrophobicContact SD-CB 4.13Å
66I66.8Low54.6Low73 Ų7376.2 Ų76.237%0.37451%0.507SS..EExtended strand (participates in β ladder)trans-101.898.5175.3-55.7175.6000106.7V64 T68 K78V64-I66 HydrophobicContact CG1-CG1 4.32Å; I66-T68 PolarHBondContact O-N 3.47Å; I66-K78 PolarHBondContact N-O 3.36Å
67A51.5Low54.6Low67 Ų6779.2 Ų79.255%0.55452%0.519SS*.  trans-72.4109.2171.900000108.8G69A67-G69 VanDerWaalsContact C-N 3.3Å; A67-G69 PolarHBondContact O-N 3.1Å
68T51.4Low54.9Low116 Ų11678.3 Ų78.371%0.71250%0.501SS*.  trans-78.781.4171.247.10000109.4I66I66-T68 PolarHBondContact O-N 3.47Å
69G38.7Very low54.5Low52 Ų5279 Ų7954%0.53649%0.494SS..SBendtrans119.6141.2167.400000115.2A67 C71A67-G69 VanDerWaalsContact C-N 3.3Å; A67-G69 PolarHBondContact O-N 3.1Å; G69-C71 PolarHBondContact O-N 3.09Å
70C32.7Very low54.7Low105 Ų10579.6 Ų79.671%0.70950%0.495SS*.SBendtrans-73.220.6-179.9-59.90000114.7
71C29.2Very low54.7Low98 Ų9878.7 Ų78.766%0.66249%0.488SS*.SBendtrans-135.5117178-71.40000108.7G69 Q73G69-C71 PolarHBondContact O-N 3.09Å; C71-Q73 VanDerWaalsContact C-N 3.33Å; C71-Q73 PolarHBondContact O-N 3.3Å
72P33.6Very low54.7Low136 Ų13677.8 Ų77.888%0.88348%0.483SS*.  trans-7193.1172.229.7-31.4000108.1
73Q36Very low54.7Low168 Ų16877.6 Ų77.679%0.78548%0.484SS*.  trans-122.2107.7164.3-71.1-159.6-17.300108.9C71C71-Q73 VanDerWaalsContact C-N 3.33Å; C71-Q73 PolarHBondContact O-N 3.3Å
74S40.1Very low53.8Low106 Ų10680.7 Ų80.774%0.74150%0.504SS*.SBendtrans53.392.5162.253.10000117.2L76S74-L76 PolarHBondContact O-N 2.94Å
75G45.8Very low53Low85 Ų8583.4 Ų83.488%0.87653%0.533SS*.SBendtrans73.514.5136.800000119.5
76L45.6Very low52.4Low121 Ų12182 Ų8263%0.63454%0.537SS*.  trans-115.822-174.4-70.8173.6000115.5S74 K78S74-L76 PolarHBondContact O-N 2.94Å; L76-K78 PolarHBondContact O-N 3.34Å
77D53.9Low51.5Low106 Ų10684.2 Ų84.257%0.56755%0.549SS*.  trans-73.6112.6171.2-66.3-39.7000110.1M65M65-D77 HydrophobicContact CG-CB 4.31Å; M65-D77 HydrophobicContact SD-CB 4.13Å
78K56.6Low51.1Low126 Ų12684.9 Ų84.955%0.54855%0.547SS..EExtended strand (participates in β ladder)trans-98.2121.8177.3-68.6-179.3178.4-172.10109.5I66 L76 T91I66-K78 PolarHBondContact N-O 3.36Å; L76-K78 PolarHBondContact O-N 3.34Å; K78-T91 HydrophobicContact CB-CG2 3.98Å; K78-T91 HydrophobicContact CD-CG2 4.18Å; K78-T91 HydrophobicContact CG-CG2 4.22Å
79V57.8Low50.9Low64 Ų6483.5 Ų83.539%0.38854%0.535SS..EExtended strand (participates in β ladder)trans-79.9118.6167.6-177.30000107.7C63C63-V79 HydrophobicContact CB-CG1 3.75Å
80T68.2Low51.1Low30 Ų3089.5 Ų89.518%0.18455%0.549CS..EExtended strand (participates in β ladder)trans-104.3116173.7-55.20000108.2C63 V64 F82 P88C63-T80 WeakPolarHBondContact CA-O 3.41Å; V64-T80 PolarHBondContact N-O 2.89Å; V64-T80 PolarHBondContact O-N 3.4Å; T80-F82 HydrophobicContact CG2-CE1 4.11Å; T80-F82 HydrophobicContact CG2-CE2 3.91Å; T80-F82 HydrophobicContact CG2-CZ 3.64Å; T80-P88 HydrophobicContact CG2-CB 4.25Å
81C71.3Confident51.4Low29 Ų2988.8 Ų88.820%0.19654%0.542CS..EExtended strand (participates in β ladder)trans-103.1125.5177.7-61.50000110.3C62 C63 P88 L89C62-C81 CarbonylContact O-C 3.53Å; C62-C81 WeakPolarHBondContact O-CA 3.47Å; C63-C81 HydrophobicContact CB-CB 4.17Å; C63-C81 WeakPolarHBondContact CB-SG 3.49Å; C63-C81 WeakPolarHBondContact SG-CB 3.38Å; C63-C81 CovalentContact SG-SG 2.05Å; C63-C81 PolarHBondContact SG-SG 2.79Å; C81-P88 WeakPolarHBondContact O-CA 3.43Å; C81-L89 PolarHBondContact O-N 3.37Å
82F74.7Confident51.5Low35 Ų3589.8 Ų89.815%0.15454%0.544CS..EExtended strand (participates in β ladder)trans-97.4125.2176.5-59.2-84.2000109.3H61 C62 V64 T80H61-F82 VanDerWaalsContact CA-O 3.29Å; H61-F82 WeakPolarHBondContact CA-O 3.43Å; C62-F82 PolarHBondContact N-O 3.34Å; C62-F82 PolarHBondContact O-N 3.27Å; V64-F82 HydrophobicContact CG2-CE2 4.33Å; T80-F82 HydrophobicContact CG2-CE1 4.11Å; T80-F82 HydrophobicContact CG2-CE2 3.91Å; T80-F82 HydrophobicContact CG2-CZ 3.64Å
83G73.9Confident51.5Low11 Ų1190.9 Ų90.911%0.11354%0.538CS..  trans-76.5177.9170.100000112.7G85 G86 I87G83-G85 PolarHBondContact O-N 3.23Å; G83-G86 PolarHBondContact O-N 3.04Å; G83-I87 PolarHBondContact N-O 3.28Å; G83-I87 VanDerWaalsContact N-O 3.13Å
84P57.5Low51.3Low87 Ų8788.8 Ų88.857%0.56554%0.539SS*.THydrogen-bonded Turntrans-60-17.9-175.3-19.832.1000114.3S60 I268S60-P84 VanDerWaalsContact O-CD 3.22Å; S60-P84 WeakPolarHBondContact O-CD 3.34Å; P84-I268 HydrophobicContact CB-CD1 4.34Å
85G61.6Low50.8Low64 Ų6487.7 Ų87.766%0.6654%0.544SS*.THydrogen-bonded Turntrans-97.39.7175.900000115.5G83 I87G83-G85 PolarHBondContact O-N 3.23Å; G85-I87 PolarHBondContact O-N 3.23Å
86G54.1Low50.1Low43 Ų4386.4 Ų86.444%0.44353%0.531SS..SBendtrans71.17.6-176.200000114.4G83G83-G86 PolarHBondContact O-N 3.04Å
87I47.1Very low49.2Very low119 Ų11987.5 Ų87.561%0.6154%0.543SS*.PPolyproline II helixtrans-82.2126.1178.3-52.5175.6000107.9G83 G85 L89G83-I87 PolarHBondContact N-O 3.28Å; G83-I87 VanDerWaalsContact N-O 3.13Å; G85-I87 PolarHBondContact O-N 3.23Å; I87-L89 PolarHBondContact O-N 3.18Å
88P43.9Very low47.8Very low81 Ų8190.9 Ų90.953%0.52656%0.559SS.*EExtended strand (participates in β ladder)trans-64118.6172.825.8-31.6000108.8T80 C81T80-P88 HydrophobicContact CG2-CB 4.25Å; C81-P88 WeakPolarHBondContact O-CA 3.43Å
89L46.4Very low46.4Very low87 Ų8787.5 Ų87.546%0.45556%0.56SS.*EExtended strand (participates in β ladder)trans-72.8144164.3-80.7121.1000108.3H61 C81 I87 T91H61-L89 WeakPolarHBondContact CE1-CD1 3.41Å; H61-L89 WeakPolarHBondContact ND1-CD1 3.33Å; C81-L89 PolarHBondContact O-N 3.37Å; I87-L89 PolarHBondContact O-N 3.18Å; L89-T91 PolarHBondContact O-N 2.77Å
90Q43.3Very low44.8Very low178 Ų17891.4 Ų91.483%0.83258%0.584SS**  trans-35.4131.8-175.2-68.3-178.3-4.500113.1V92Q90-V92 WeakPolarHBondContact O-CG2 3.47Å; Q90-V92 PolarHBondContact O-N 3.15Å
91T38Very low42.9Very low90 Ų9097.1 Ų97.155%0.55261%0.612SS**  trans-59.8104.1167.10.40000108.9K78 L89K78-T91 HydrophobicContact CB-CG2 3.98Å; K78-T91 HydrophobicContact CD-CG2 4.18Å; K78-T91 HydrophobicContact CG-CG2 4.22Å; L89-T91 PolarHBondContact O-N 2.77Å
92V32.5Very low40.7Very low119 Ų11999.3 Ų99.372%0.72164%0.639SS**  trans-88.5114.6175.3-171.20000108.1Q90Q90-V92 WeakPolarHBondContact O-CG2 3.47Å; Q90-V92 PolarHBondContact O-N 3.15Å
93Q33.9Very low38.3Very low160 Ų160101.2 Ų101.275%0.74867%0.669SS**  trans-78.9126.7164.7-175.3176-34.900108.4G95Q93-G95 PolarHBondContact O-N 2.98Å
94P30.4Very low36.1Very low124 Ų124107.4 Ų107.481%0.80570%0.698SS**THydrogen-bonded Turntrans-66.8117.5172-15.629.3000110
95G30.4Very low34.5Very low82 Ų82108.6 Ų108.685%0.84571%0.706SS**THydrogen-bonded Turntrans98.821.1162.200000119.3Q93Q93-G95 PolarHBondContact O-N 2.98Å
96G30.3Very low32.7Very low58 Ų58109.4 Ų109.460%0.59871%0.706SS**  trans-105.5114.9178.200000114.6
97T26.5Very low31.4Very low145 Ų145114.6 Ų114.689%0.8972%0.722SS**  trans-68.9138.3167.6-48.60000110.6G99T97-G99 PolarHBondContact O-N 3.14Å
98I26.4Very low30.5Very low177 Ų177118 Ų11891%0.90873%0.728SS**  trans-66.7101.3177.8-56.8173.6000109.1
99G26.8Very low29.6Very low55 Ų55119.5 Ų119.557%0.56774%0.739SS**  trans-132.1123.7175.300000110.1T97 I101T97-G99 PolarHBondContact O-N 3.14Å; G99-I101 PolarHBondContact O-N 3.4Å
100T23.7Very low28.9Very low146 Ų146119 Ų11990%0.89676%0.755SS**  trans-17.8110.2169.7-45.80000115.1G102T100-G102 PolarHBondContact O-N 3.31Å
101I29.3Very low28.6Very low149 Ų149115.8 Ų115.876%0.76475%0.747SS**  trans-86.289.5174.8-56.2175.9000108.7G99 I104G99-I101 PolarHBondContact O-N 3.4Å; I101-I104 HydrophobicContact CG2-CD1 4.29Å; I101-I104 HydrophobicContact CG2-CG1 4.4Å
102G24.4Very low28.8Very low75 Ų75118.2 Ų118.277%0.77375%0.752SS**  trans-111.3107.7156.900000108.4T100T100-G102 PolarHBondContact O-N 3.31Å
103G23.4Very low29.5Very low75 Ų75114.5 Ų114.577%0.77373%0.73SS**  trans112.984.1169.500000115.5
104I28.1Very low30.3Very low141 Ų141110.8 Ų110.872%0.72372%0.72SS**  trans-131.1130.7153.4-52.3177.7000107.1I101I101-I104 HydrophobicContact CG2-CD1 4.29Å; I101-I104 HydrophobicContact CG2-CG1 4.4Å
105P24.3Very low31.4Very low113 Ų113109.3 Ų109.373%0.73471%0.709SS**  trans-71.9145.9-172-10.326.4000112.5I107P105-I107 PolarHBondContact O-N 3.48Å
106A23.8Very low32.9Very low80 Ų80110.4 Ų110.466%0.66169%0.692SS**  trans-51.2119.917900000113.3
107I26.7Very low34.4Very low152 Ų152107.9 Ų107.978%0.77967%0.665SS**SBendtrans-104.1101.7160.4-56.3179000105.4P105P105-I107 PolarHBondContact O-N 3.48Å
108Y27.6Very low35.8Very low190 Ų190104.3 Ų104.375%0.74565%0.646SS**  trans79.277.3-173.1-58.9-78.4000118.2G110 V111Y108-G110 PolarHBondContact O-N 2.9Å; Y108-V111 HydrophobicContact CD1-CG2 4.15Å; Y108-V111 HydrophobicContact CG-CG2 4.31Å
109P26Very low37.7Very low114 Ų114101.3 Ų101.374%0.7464%0.636SS**SBendtrans-71.3119.8152.430.2-25.9000108.8
110G30.6Very low40Very low77 Ų77100.5 Ų100.579%0.79463%0.627SS**  trans107.215.5158.500000118.7Y108 Q112Y108-G110 PolarHBondContact O-N 2.9Å; G110-Q112 PolarHBondContact O-N 2.96Å
111V36.7Very low42.5Very low110 Ų11099.5 Ų99.567%0.66762%0.615SS**  trans-83.393.3161.8-140.80000107.4Y108 P113Y108-V111 HydrophobicContact CD1-CG2 4.15Å; Y108-V111 HydrophobicContact CG-CG2 4.31Å; V111-P113 VanDerWaalsContact O-CD 3.29Å; V111-P113 WeakPolarHBondContact O-CD 3.09Å; V111-P113 VanDerWaalsContact O-N 3.16Å
112Q42Very low44.7Very low140 Ų14095 Ų9565%0.65459%0.59SS**PPolyproline II helixtrans-56.2120.2168.6-172.1-179.6-42.300107G110G110-Q112 PolarHBondContact O-N 2.96Å
113P47.9Very low46.7Very low41 Ų4196 Ų9627%0.26658%0.583SS.*PPolyproline II helixtrans-54.7151.3172.1-19.930.6000108.9V111 T115 V131V111-P113 VanDerWaalsContact O-CD 3.29Å; V111-P113 WeakPolarHBondContact O-CD 3.09Å; V111-P113 VanDerWaalsContact O-N 3.16Å; P113-T115 PolarHBondContact O-N 3.48Å; P113-V131 HydrophobicContact CG-CG2 4.36Å
114P50.6Low48.8Very low83 Ų8394.9 Ų94.954%0.53957%0.571SS.*PPolyproline II helixtrans-47142.9167.521.1-31.1000108.7Q116 P117P114-Q116 PolarHBondContact O-N 3.24Å; P114-P117 HydrophobicContact CG-CB 4.43Å; P114-P117 WeakPolarHBondContact O-CD 3.05Å
115T53.8Low50.7Low92 Ų9288.9 Ų88.956%0.56455%0.545SS*.SBendtrans-51-17.3-170.836.20000114.1P113 P132P113-T115 PolarHBondContact O-N 3.48Å; T115-P132 CarbonylContact O-C 3.6Å
116Q61.2Low52.7Low106 Ų10684.1 Ų84.150%0.49551%0.514SS..SBendtrans-153.498.8167.5-169178.4-1.600109.4P114 S118P114-Q116 PolarHBondContact O-N 3.24Å; Q116-S118 PolarHBondContact O-N 3.38Å; Q116-S118 VanDerWaalsContact O-N 3.14Å
117P62.3Low54.3Low4 Ų485.6 Ų85.63%0.02650%0.503CS..  trans-68.2115.4171.328.7-30.9000108P114 F122 I135 T136 Y140P114-P117 HydrophobicContact CG-CB 4.43Å; P114-P117 WeakPolarHBondContact O-CD 3.05Å; P117-F122 HydrophobicContact CB-CE1 4.22Å; P117-F122 HydrophobicContact CB-CE2 3.87Å; P117-F122 HydrophobicContact CB-CZ 3.55Å; P117-I135 HydrophobicContact CG-CB 4.49Å; P117-I135 HydrophobicContact CG-CG1 4.18Å; P117-I135 HydrophobicContact CG-CG2 4.28Å; P117-T136 PolarHBondContact O-N 3.01Å; P117-Y140 WeakPolarHBondContact CB-OH 3.5Å; P117-Y140 WeakPolarHBondContact CG-OH 3.1Å
118S56.8Low55.6Low70 Ų7083.6 Ų83.649%0.4950%0.498SS..  trans-106.4-19.9-173.558.40000113.8Q116 T136Q116-S118 PolarHBondContact O-N 3.38Å; Q116-S118 VanDerWaalsContact O-N 3.14Å; S118-T136 CarbonylContact C-O 3.54Å; S118-T136 WeakPolarHBondContact CA-O 3.41Å
119T65.3Low57.2Low114 Ų11476.3 Ų76.370%0.69948%0.481SS*.SBendtrans-164.5145.5178480000110.2
120G74.8Confident58.9Low38 Ų3875 Ų7539%0.39247%0.471SS..SBendtrans139.1172.3173.700000114.8G138 V139G120-G138 CarbonylContact O-C 3.56Å; G120-G138 WeakPolarHBondContact O-CA 3.5Å; G120-V139 PolarHBondContact O-N 2.86Å
121I76.7Confident60.6Low125 Ų12571.5 Ų71.564%0.64143%0.434SS*.BIsolated β-bridgetrans-100.5120.4169.4-56.7177.7000107.5P123 V139 P141I121-P123 VanDerWaalsContact O-CD 3.24Å; I121-P123 WeakPolarHBondContact O-CD 3.12Å; I121-V139 WeakPolarHBondContact CA-O 3.34Å; I121-V139 HydrophobicContact CG1-CB 4.27Å; I121-P141 HydrophobicContact CG2-CG 4.39Å
122F75.4Confident61.7Low55 Ų5569.9 Ų69.924%0.24143%0.425CS..  trans-110.987179.5-64-85.5000109P117 G124 G125 V139 Y140 P141P117-F122 HydrophobicContact CB-CE1 4.22Å; P117-F122 HydrophobicContact CB-CE2 3.87Å; P117-F122 HydrophobicContact CB-CZ 3.55Å; F122-G124 PolarHBondContact O-N 2.9Å; F122-G124 VanDerWaalsContact O-N 3.13Å; F122-G125 PolarHBondContact O-N 3.42Å; F122-G125 VanDerWaalsContact O-N 3.08Å; F122-V139 PolarHBondContact N-O 2.95Å; F122-Y140 HydrophobicContact CB-CD1 3.63Å; F122-Y140 HydrophobicContact CB-CE1 3.55Å; F122-Y140 HydrophobicContact CB-CG 4.5Å; F122-Y140 HydrophobicContact CD2-CD1 4.16Å; F122-Y140 AromaticContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE1 3.4Å; F122-Y140 VanDerWaalsContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE2 4.13Å; F122-Y140 AromaticContact CD2-CZ 3.37Å; F122-Y140 WeakPolarHBondContact CD2-OH 3.47Å; F122-Y140 HydrophobicContact CE2-CE1 4.24Å; F122-Y140 AromaticContact CE2-CZ 3.88Å; F122-Y140 WeakPolarHBondContact CE2-OH 3.4Å; F122-Y140 HydrophobicContact CG-CD1 4.18Å; F122-Y140 AromaticContact CG-CE1 3.58Å; F122-Y140 HydrophobicContact CG-CE1 3.58Å; F122-P141 WeakPolarHBondContact O-CD 3.21Å
123P65.9Low63Low96 Ų9664.2 Ų64.262%0.62341%0.405SS*.THydrogen-bonded Turntrans-61.3-28-171.323.8-33.5000112.6I121 G125 S142I121-P123 VanDerWaalsContact O-CD 3.24Å; I121-P123 WeakPolarHBondContact O-CD 3.12Å; P123-G125 VanDerWaalsContact C-N 3.29Å; P123-G125 PolarHBondContact O-N 3.44Å; P123-S142 PolarHBondContact O-OG 3.26Å
124G67.4Low64.3Low51 Ų5162.2 Ų62.253%0.52639%0.392SS..THydrogen-bonded Turntrans-76.8-5.5179.600000115.1F122 Y127F122-G124 PolarHBondContact O-N 2.9Å; F122-G124 VanDerWaalsContact O-N 3.13Å; G124-Y127 WeakPolarHBondContact O-CD2 3.45Å; G124-Y127 WeakPolarHBondContact O-CE2 3.48Å
125G68.9Low65.3Low16 Ų1658.3 Ų58.317%0.16537%0.366CS..  trans60.5-178.2-167.700000112.4F122 P123 G143F122-G125 PolarHBondContact O-N 3.42Å; F122-G125 VanDerWaalsContact O-N 3.08Å; P123-G125 VanDerWaalsContact C-N 3.29Å; P123-G125 PolarHBondContact O-N 3.44Å; G125-G143 VanDerWaalsContact CA-O 3.24Å; G125-G143 WeakPolarHBondContact CA-O 3.41Å
126V66.9Low66.4Low13 Ų1356.6 Ų56.68%0.07936%0.356CS..EExtended strand (participates in β ladder)trans-109.6104.5166.6179.80000106.4V131 I135 Y140 G143 V144 T145V126-V131 HydrophobicContact CG1-CG2 4.16Å; V126-I135 HydrophobicContact CB-CD1 4.27Å; V126-I135 HydrophobicContact CG2-CD1 3.86Å; V126-Y140 HydrophobicContact CG2-CD1 4.1Å; V126-Y140 HydrophobicContact CG2-CE1 3.82Å; V126-G143 PolarHBondContact N-O 3.33Å; V126-G143 VanDerWaalsContact N-O 3.17Å; V126-V144 HydrophobicContact CB-CG1 4.17Å; V126-V144 HydrophobicContact CB-CG2 4.23Å; V126-V144 HydrophobicContact CG2-CG2 4.46Å; V126-V144 CarbonylContact O-C 3.55Å; V126-V144 WeakPolarHBondContact O-CA 3.33Å; V126-T145 PolarHBondContact O-N 2.88Å; V126-T145 VanDerWaalsContact O-O 3.1Å
127Y57Low67Low110 Ų11052.3 Ų52.343%0.43134%0.34SS..EExtended strand (participates in β ladder)trans-115.1114.4178-65.8-85.5000108.1G124 S142 T145G124-Y127 WeakPolarHBondContact O-CD2 3.45Å; G124-Y127 WeakPolarHBondContact O-CE2 3.48Å; Y127-S142 WeakPolarHBondContact OH-CB 3.33Å; Y127-S142 PolarHBondContact OH-O 2.92Å; Y127-T145 WeakPolarHBondContact CA-O 3.5Å; Y127-T145 HydrophobicContact CD1-CG2 4.42Å; Y127-T145 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T145 WeakPolarHBondContact CE1-OG1 3.34Å
128T53.9Low67.9Low111 Ų11153 Ų5368%0.68135%0.348SS*.SBendtrans64.897.5173.364.80000115.5T145 T146T128-T145 PolarHBondContact N-O 3.18Å; T128-T145 VanDerWaalsContact N-O 3.17Å; T128-T146 WeakPolarHBondContact CA-O 3.09Å; T128-T146 WeakPolarHBondContact CG2-OG1 3.24Å; T128-T146 PolarHBondContact N-O 2.93Å
129G61Low69Low37 Ų3752 Ų5238%0.38134%0.339SS..  trans166.5154.1169.800000113.3G147G129-G147 VanDerWaalsContact O-CA 3.29Å; G129-G147 WeakPolarHBondContact O-CA 3.34Å
130T62.3Low69.7Low86 Ų8646.6 Ų46.653%0.52831%0.306SS..  trans-79.1122167.2-57.50000108.1P132 T148T130-P132 HydrophobicContact CG2-CG 4.47Å; T130-P132 WeakPolarHBondContact O-CD 3.29Å; T130-T148 VanDerWaalsContact CA-O 3.27Å; T130-T148 WeakPolarHBondContact CA-O 3.29Å; T130-T148 WeakPolarHBondContact CG2-O 2.98Å
131V66.3Low69.6Low3 Ų347.2 Ų47.22%0.01830%0.303CS..BIsolated β-bridgetrans-10199.2169.8-176.30000107.1P113 V126 G133 G134 T148 G150P113-V131 HydrophobicContact CG-CG2 4.36Å; V126-V131 HydrophobicContact CG1-CG2 4.16Å; V131-G133 PolarHBondContact O-N 3.27Å; V131-G134 WeakPolarHBondContact CG1-O 3.24Å; V131-G134 PolarHBondContact O-N 2.86Å; V131-T148 PolarHBondContact N-O 3.45Å; V131-T148 VanDerWaalsContact N-O 3.15Å; V131-G150 PolarHBondContact O-N 2.9Å
132P58.7Low69.7Low76 Ų7642.8 Ų42.849%0.49428%0.283SS..THydrogen-bonded Turntrans-78.291.4-178.72.316.7000108.2T115 T130T115-P132 CarbonylContact O-C 3.6Å; T130-P132 HydrophobicContact CG2-CG 4.47Å; T130-P132 WeakPolarHBondContact O-CD 3.29Å
133G70.5Confident69.5Low21 Ų2140.2 Ų40.222%0.21627%0.272CS..THydrogen-bonded Turntrans142.7-7.1-17800000115.1V131 T151V131-G133 PolarHBondContact O-N 3.27Å; G133-T151 PolarHBondContact O-OG1 3.3Å
134G74.2Confident69.8Low0 Ų035.9 Ų35.90%024%0.244CC..  trans85.5172.7179.800000112.8V131 V149 T151 G152V131-G134 WeakPolarHBondContact CG1-O 3.24Å; V131-G134 PolarHBondContact O-N 2.86Å; G134-V149 VanDerWaalsContact CA-CG1 3.48Å; G134-T151 WeakPolarHBondContact CA-OG1 3.37Å; G134-T151 PolarHBondContact N-OG1 3.3Å; G134-G152 CarbonylContact C-O 3.43Å; G134-G152 WeakPolarHBondContact CA-O 3.11Å
135I72.5Confident69.6Low0 Ų035.4 Ų35.40%023%0.23CC..EExtended strand (participates in β ladder)trans-110.3124.8168.6-62.9171.7000106P117 V126 Y140 V144 V149 G152 V153 A154 Y158P117-I135 HydrophobicContact CG-CB 4.49Å; P117-I135 HydrophobicContact CG-CG1 4.18Å; P117-I135 HydrophobicContact CG-CG2 4.28Å; V126-I135 HydrophobicContact CB-CD1 4.27Å; V126-I135 HydrophobicContact CG2-CD1 3.86Å; I135-Y140 HydrophobicContact CG2-CE1 4.41Å; I135-Y140 HydrophobicContact CG2-CE2 3.57Å; I135-Y140 VanDerWaalsContact CG2-OH 3.27Å; I135-Y140 WeakPolarHBondContact CG2-OH 3.48Å; I135-V144 HydrophobicContact CD1-CB 4.46Å; I135-V144 HydrophobicContact CD1-CG1 3.9Å; I135-V144 HydrophobicContact CD1-CG2 3.69Å; I135-V149 HydrophobicContact CD1-CG2 4.36Å; I135-V149 HydrophobicContact CG1-CG1 4.29Å; I135-G152 PolarHBondContact N-O 3.44Å; I135-V153 HydrophobicContact CB-CG1 4.28Å; I135-V153 HydrophobicContact CB-CG2 4.31Å; I135-V153 HydrophobicContact CD1-CG2 4.27Å; I135-V153 HydrophobicContact CG2-CG1 4.38Å; I135-V153 CarbonylContact O-C 2.99Å; I135-V153 WeakPolarHBondContact O-CA 2.97Å; I135-A154 PolarHBondContact O-N 3.34Å; I135-Y158 VanDerWaalsContact CG2-OH 3.28Å; I135-Y158 WeakPolarHBondContact CG2-OH 3.45Å
136T76.9Confident68.8Low56 Ų5637.7 Ų37.734%0.34424%0.242SC..EExtended strand (participates in β ladder)trans-123.6114.7178.5-52.50000109.3P117 S118 A154P117-T136 PolarHBondContact O-N 3.01Å; S118-T136 CarbonylContact C-O 3.54Å; S118-T136 WeakPolarHBondContact CA-O 3.41Å; T136-A154 CarbonylContact C-O 3.57Å; T136-A154 VanDerWaalsContact CA-O 3.27Å; T136-A154 WeakPolarHBondContact CA-O 3.36Å; T136-A154 HydrophobicContact CG2-CB 4.46Å
137G74.3Confident68.3Low17 Ų1738.3 Ų38.318%0.17525%0.251CS..SBendtrans64.3177.1178.900000114.5Y140 A154 G155G137-Y140 WeakPolarHBondContact O-CE2 3.22Å; G137-A154 PolarHBondContact N-O 2.93Å; G137-G155 PolarHBondContact N-O 3.42Å
138G80.2Confident68.1Low18 Ų1836 Ų3619%0.18625%0.248CC..  trans100.8173.9-17700000114.4G120 G156 L157G120-G138 CarbonylContact O-C 3.56Å; G120-G138 WeakPolarHBondContact O-CA 3.5Å; G138-G156 CarbonylContact O-C 3.49Å; G138-G156 WeakPolarHBondContact O-CA 3.32Å; G138-L157 PolarHBondContact O-N 2.01Å
139V80.3Confident68.3Low50 Ų5031.1 Ų31.130%0.30322%0.218SC..BIsolated β-bridgetrans-115.5122.4177.5-176.60000108G120 I121 F122 P141 L157G120-V139 PolarHBondContact O-N 2.86Å; I121-V139 WeakPolarHBondContact CA-O 3.34Å; I121-V139 HydrophobicContact CG1-CB 4.27Å; F122-V139 PolarHBondContact N-O 2.95Å; V139-P141 HydrophobicContact CG1-CG 4.36Å; V139-P141 WeakPolarHBondContact O-CD 3.42Å; V139-L157 HydrophobicContact CG1-CB 4.44Å; V139-L157 HydrophobicContact CG1-CD2 4.4Å; V139-L157 HydrophobicContact CG2-CB 4.37Å
140Y79.9Confident67.8Low0 Ų031.4 Ų31.40%022%0.22CC..  trans-118.684.9-179.8-64.4-94.3000108P117 F122 V126 I135 G137 S142 G143 V144 L157 Y158 P159P117-Y140 WeakPolarHBondContact CB-OH 3.5Å; P117-Y140 WeakPolarHBondContact CG-OH 3.1Å; F122-Y140 HydrophobicContact CB-CD1 3.63Å; F122-Y140 HydrophobicContact CB-CE1 3.55Å; F122-Y140 HydrophobicContact CB-CG 4.5Å; F122-Y140 HydrophobicContact CD2-CD1 4.16Å; F122-Y140 AromaticContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE1 3.4Å; F122-Y140 VanDerWaalsContact CD2-CE1 3.4Å; F122-Y140 HydrophobicContact CD2-CE2 4.13Å; F122-Y140 AromaticContact CD2-CZ 3.37Å; F122-Y140 WeakPolarHBondContact CD2-OH 3.47Å; F122-Y140 HydrophobicContact CE2-CE1 4.24Å; F122-Y140 AromaticContact CE2-CZ 3.88Å; F122-Y140 WeakPolarHBondContact CE2-OH 3.4Å; F122-Y140 HydrophobicContact CG-CD1 4.18Å; F122-Y140 AromaticContact CG-CE1 3.58Å; F122-Y140 HydrophobicContact CG-CE1 3.58Å; V126-Y140 HydrophobicContact CG2-CD1 4.1Å; V126-Y140 HydrophobicContact CG2-CE1 3.82Å; I135-Y140 HydrophobicContact CG2-CE1 4.41Å; I135-Y140 HydrophobicContact CG2-CE2 3.57Å; I135-Y140 VanDerWaalsContact CG2-OH 3.27Å; I135-Y140 WeakPolarHBondContact CG2-OH 3.48Å; G137-Y140 WeakPolarHBondContact O-CE2 3.22Å; Y140-S142 PolarHBondContact O-N 3.36Å; Y140-S142 VanDerWaalsContact O-N 3.1Å; Y140-G143 PolarHBondContact O-N 3.05Å; Y140-V144 HydrophobicContact CD1-CG2 4.45Å; Y140-V144 HydrophobicContact CG-CG2 4.41Å; Y140-L157 PolarHBondContact N-O 2.97Å; Y140-Y158 AromaticContact CD2-CD1 3.89Å; Y140-Y158 HydrophobicContact CD2-CD1 3.89Å; Y140-Y158 AromaticContact CD2-CE1 3.14Å; Y140-Y158 HydrophobicContact CD2-CE1 3.14Å; Y140-Y158 AromaticContact CD2-CZ 3.59Å; Y140-Y158 AromaticContact CE2-CE1 3.83Å; Y140-Y158 HydrophobicContact CE2-CE1 3.83Å; Y140-Y158 AromaticContact CE2-CZ 3.96Å; Y140-Y158 WeakPolarHBondContact CE2-OH 3.22Å; Y140-Y158 HydrophobicContact CG-CD1 4.07Å; Y140-Y158 AromaticContact CG-CE1 3.63Å; Y140-Y158 HydrophobicContact CG-CE1 3.63Å; Y140-P159 VanDerWaalsContact O-CD 3.23Å; Y140-P159 WeakPolarHBondContact O-CD 3.23Å
141P73.3Confident67.9Low50 Ų5032 Ų3233%0.32523%0.225SC..THydrogen-bonded Turntrans-57.1-33.7-171.8-23.534.7000112.6I121 F122 V139 V160I121-P141 HydrophobicContact CG2-CG 4.39Å; F122-P141 WeakPolarHBondContact O-CD 3.21Å; V139-P141 HydrophobicContact CG1-CG 4.36Å; V139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-V160 VanDerWaalsContact O-CG2 3.23Å; P141-V160 WeakPolarHBondContact O-CG2 3.47Å
142S77.7Confident68Low33 Ų3332 Ų3223%0.23123%0.225CC..THydrogen-bonded Turntrans-90.5-4.2-176-470000112P123 Y127 Y140P123-S142 PolarHBondContact O-OG 3.26Å; Y127-S142 WeakPolarHBondContact OH-CB 3.33Å; Y127-S142 PolarHBondContact OH-O 2.92Å; Y140-S142 PolarHBondContact O-N 3.36Å; Y140-S142 VanDerWaalsContact O-N 3.1Å
143G72.5Confident68.6Low0 Ų028.5 Ų28.50%020%0.202CC..  trans82.3-176.9-178.100000113.4G125 V126 Y140 G161G125-G143 VanDerWaalsContact CA-O 3.24Å; G125-G143 WeakPolarHBondContact CA-O 3.41Å; V126-G143 PolarHBondContact N-O 3.33Å; V126-G143 VanDerWaalsContact N-O 3.17Å; Y140-G143 PolarHBondContact O-N 3.05Å; G143-G161 WeakPolarHBondContact CA-O 3.39Å
144V70.3Confident68.6Low6 Ų629.2 Ų29.24%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-118.5110.8175.2175.40000107V126 I135 Y140 Y158 G161 V162 S163V126-V144 HydrophobicContact CB-CG1 4.17Å; V126-V144 HydrophobicContact CB-CG2 4.23Å; V126-V144 HydrophobicContact CG2-CG2 4.46Å; V126-V144 CarbonylContact O-C 3.55Å; V126-V144 WeakPolarHBondContact O-CA 3.33Å; I135-V144 HydrophobicContact CD1-CB 4.46Å; I135-V144 HydrophobicContact CD1-CG1 3.9Å; I135-V144 HydrophobicContact CD1-CG2 3.69Å; Y140-V144 HydrophobicContact CD1-CG2 4.45Å; Y140-V144 HydrophobicContact CG-CG2 4.41Å; V144-Y158 HydrophobicContact CG2-CD1 3.82Å; V144-Y158 HydrophobicContact CG2-CE1 3.55Å; V144-G161 PolarHBondContact N-O 3.35Å; V144-V162 HydrophobicContact CB-CG1 4.34Å; V144-V162 HydrophobicContact CB-CG2 4.29Å; V144-S163 PolarHBondContact O-N 3.03Å
145T64.5Low68.3Low40 Ų4030.1 Ų30.125%0.24522%0.216CC..EExtended strand (participates in β ladder)trans-122.4128.2-174.8-38.40000108.9V126 Y127 T128 S163V126-T145 PolarHBondContact O-N 2.88Å; V126-T145 VanDerWaalsContact O-O 3.1Å; Y127-T145 WeakPolarHBondContact CA-O 3.5Å; Y127-T145 HydrophobicContact CD1-CG2 4.42Å; Y127-T145 WeakPolarHBondContact CD1-OG1 3.5Å; Y127-T145 WeakPolarHBondContact CE1-OG1 3.34Å; T128-T145 PolarHBondContact N-O 3.18Å; T128-T145 VanDerWaalsContact N-O 3.17Å; T145-S163 WeakPolarHBondContact CA-OG 3.23Å; T145-S163 VanDerWaalsContact CG2-OG 3.32Å; T145-S163 WeakPolarHBondContact CG2-OG 3.34Å
146T52.3Low68.5Low65 Ų6531.2 Ų31.240%0.39923%0.227SC..SBendtrans53.997.6168.343.80000115.3T128T128-T146 WeakPolarHBondContact CA-O 3.09Å; T128-T146 WeakPolarHBondContact CG2-OG1 3.24Å; T128-T146 PolarHBondContact N-O 2.93Å
147G55.9Low68.6Low26 Ų2631.9 Ų31.927%0.26823%0.228SC..SBendtrans174.8151.1170.800000112.1G129 V149G129-G147 VanDerWaalsContact O-CA 3.29Å; G129-G147 WeakPolarHBondContact O-CA 3.34Å; G147-V149 PolarHBondContact O-N 3.32Å; G147-V149 VanDerWaalsContact O-N 3.08Å
148T52.6Low68.8Low62 Ų6231 Ų3138%0.3822%0.219SC..  trans-76.195.4174.2-490000108.7T130 V131 G150 I187T130-T148 VanDerWaalsContact CA-O 3.27Å; T130-T148 WeakPolarHBondContact CA-O 3.29Å; T130-T148 WeakPolarHBondContact CG2-O 2.98Å; V131-T148 PolarHBondContact N-O 3.45Å; V131-T148 VanDerWaalsContact N-O 3.15Å; T148-G150 PolarHBondContact O-N 3.01Å; T148-I187 HydrophobicContact CG2-CD1 3.56Å; T148-I187 HydrophobicContact CG2-CG1 4.25Å
149V58.8Low68.4Low8 Ų832.5 Ų32.55%0.04823%0.226CC..BIsolated β-bridgetrans-84.3103.6173-1770000107.5G134 I135 G147 T151 G152 V153 T166G134-V149 VanDerWaalsContact CA-CG1 3.48Å; I135-V149 HydrophobicContact CD1-CG2 4.36Å; I135-V149 HydrophobicContact CG1-CG1 4.29Å; G147-V149 PolarHBondContact O-N 3.32Å; G147-V149 VanDerWaalsContact O-N 3.08Å; V149-T151 PolarHBondContact O-N 3.02Å; V149-G152 WeakPolarHBondContact CG1-O 3.09Å; V149-G152 PolarHBondContact O-N 3.02Å; V149-G152 VanDerWaalsContact O-N 3.17Å; V149-V153 HydrophobicContact CG1-CG2 4.47Å; V149-T166 HydrophobicContact CB-CG2 3.47Å; V149-T166 VanDerWaalsContact CB-CG2 3.47Å; V149-T166 HydrophobicContact CG2-CG2 3.43Å; V149-T166 VanDerWaalsContact CG2-CG2 3.43Å
150G49.9Very low68.1Low42 Ų4234.4 Ų34.443%0.43324%0.237SC..THydrogen-bonded Turntrans-58.6-23.2-162.900000115.8V131 T148V131-G150 PolarHBondContact O-N 2.9Å; T148-G150 PolarHBondContact O-N 3.01Å
151T63.4Low67.7Low100 Ų10034.8 Ų34.861%0.61324%0.241SC*.THydrogen-bonded Turntrans-132.213.1179.756.60000113.1G133 G134 V149G133-T151 PolarHBondContact O-OG1 3.3Å; G134-T151 WeakPolarHBondContact CA-OG1 3.37Å; G134-T151 PolarHBondContact N-OG1 3.3Å; V149-T151 PolarHBondContact O-N 3.02Å
152G69.5Low67.6Low3 Ų332.6 Ų32.63%0.03123%0.227CC..  trans86-178179.600000116.1G134 I135 V149 S167G134-G152 CarbonylContact C-O 3.43Å; G134-G152 WeakPolarHBondContact CA-O 3.11Å; I135-G152 PolarHBondContact N-O 3.44Å; V149-G152 WeakPolarHBondContact CG1-O 3.09Å; V149-G152 PolarHBondContact O-N 3.02Å; V149-G152 VanDerWaalsContact O-N 3.17Å; G152-S167 CarbonylContact C-O 3.59Å; G152-S167 WeakPolarHBondContact CA-O 3.28Å
153V70.7Confident67Low1 Ų132.6 Ų32.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-108.9115.2178.3-1770000108.1I135 V149 Y158 V162 T166 S167 V168 T169I135-V153 HydrophobicContact CB-CG1 4.28Å; I135-V153 HydrophobicContact CB-CG2 4.31Å; I135-V153 HydrophobicContact CD1-CG2 4.27Å; I135-V153 HydrophobicContact CG2-CG1 4.38Å; I135-V153 CarbonylContact O-C 2.99Å; I135-V153 WeakPolarHBondContact O-CA 2.97Å; V149-V153 HydrophobicContact CG1-CG2 4.47Å; V153-Y158 HydrophobicContact CG1-CE1 3.94Å; V153-Y158 HydrophobicContact CG1-CE2 3.74Å; V153-Y158 WeakPolarHBondContact CG1-OH 3.38Å; V153-V162 HydrophobicContact CG2-CG1 4.36Å; V153-T166 HydrophobicContact CG2-CG2 4.4Å; V153-S167 PolarHBondContact N-O 3.36Å; V153-V168 CarbonylContact O-C 3.54Å; V153-V168 WeakPolarHBondContact O-CA 3.44Å; V153-T169 PolarHBondContact O-N 2.75Å
154A71.7Confident66.4Low36 Ų3635.3 Ų35.330%0.29824%0.243SC..EExtended strand (participates in β ladder)trans-117.1109.7-176.700000111.7I135 T136 G137 T169I135-A154 PolarHBondContact O-N 3.34Å; T136-A154 CarbonylContact C-O 3.57Å; T136-A154 VanDerWaalsContact CA-O 3.27Å; T136-A154 WeakPolarHBondContact CA-O 3.36Å; T136-A154 HydrophobicContact CG2-CB 4.46Å; G137-A154 PolarHBondContact N-O 2.93Å; A154-T169 CarbonylContact C-O 3.56Å; A154-T169 WeakPolarHBondContact CA-O 3.47Å
155G66.4Low65.9Low20 Ų2036.3 Ų36.321%0.20625%0.254CS..SBendtrans67.4163.9-179.900000114G137 Y158 T169 G170G137-G155 PolarHBondContact N-O 3.42Å; G155-Y158 WeakPolarHBondContact O-CE2 3.06Å; G155-Y158 PolarHBondContact O-OH 2.97Å; G155-Y158 VanDerWaalsContact O-OH 3.13Å; G155-T169 PolarHBondContact N-O 3.41Å; G155-G170 WeakPolarHBondContact CA-O 3.13Å; G155-G170 PolarHBondContact N-O 2.99Å
156G77.7Confident65.7Low23 Ų2335 Ų3524%0.23725%0.247CC..  trans117.6176.7-177.900000113.7G138 G171 V172G138-G156 CarbonylContact O-C 3.49Å; G138-G156 WeakPolarHBondContact O-CA 3.32Å; G156-G171 WeakPolarHBondContact O-CA 3.44Å; G156-V172 PolarHBondContact O-N 2.87Å
157L78Confident66.5Low69 Ų6933.2 Ų33.236%0.36124%0.237SC..BIsolated β-bridgetrans-115.2120.6177.3-177.168.7000109.7G138 V139 Y140 P159 V172 P174G138-L157 PolarHBondContact O-N 2.01Å; V139-L157 HydrophobicContact CG1-CB 4.44Å; V139-L157 HydrophobicContact CG1-CD2 4.4Å; V139-L157 HydrophobicContact CG2-CB 4.37Å; Y140-L157 PolarHBondContact N-O 2.97Å; L157-P159 HydrophobicContact CG-CG 4.43Å; L157-V172 HydrophobicContact CD1-CB 3.73Å; L157-V172 HydrophobicContact CD1-CG1 3.8Å; L157-P174 HydrophobicContact CD1-CG 4.37Å
158Y79.1Confident66.9Low0 Ų032 Ų320%022%0.224CC..  trans-125.981.1-174.8-59.4-91.6000110.3I135 Y140 V144 V153 G155 V160 G161 V162 V172 Y173 P174I135-Y158 VanDerWaalsContact CG2-OH 3.28Å; I135-Y158 WeakPolarHBondContact CG2-OH 3.45Å; Y140-Y158 AromaticContact CD2-CD1 3.89Å; Y140-Y158 HydrophobicContact CD2-CD1 3.89Å; Y140-Y158 AromaticContact CD2-CE1 3.14Å; Y140-Y158 HydrophobicContact CD2-CE1 3.14Å; Y140-Y158 AromaticContact CD2-CZ 3.59Å; Y140-Y158 AromaticContact CE2-CE1 3.83Å; Y140-Y158 HydrophobicContact CE2-CE1 3.83Å; Y140-Y158 AromaticContact CE2-CZ 3.96Å; Y140-Y158 WeakPolarHBondContact CE2-OH 3.22Å; Y140-Y158 HydrophobicContact CG-CD1 4.07Å; Y140-Y158 AromaticContact CG-CE1 3.63Å; Y140-Y158 HydrophobicContact CG-CE1 3.63Å; V144-Y158 HydrophobicContact CG2-CD1 3.82Å; V144-Y158 HydrophobicContact CG2-CE1 3.55Å; V153-Y158 HydrophobicContact CG1-CE1 3.94Å; V153-Y158 HydrophobicContact CG1-CE2 3.74Å; V153-Y158 WeakPolarHBondContact CG1-OH 3.38Å; G155-Y158 WeakPolarHBondContact O-CE2 3.06Å; G155-Y158 PolarHBondContact O-OH 2.97Å; G155-Y158 VanDerWaalsContact O-OH 3.13Å; Y158-V160 VanDerWaalsContact C-N 3.27Å; Y158-V160 PolarHBondContact O-N 3.36Å; Y158-G161 PolarHBondContact O-N 2.91Å; Y158-V162 HydrophobicContact CD1-CG2 3.94Å; Y158-V162 HydrophobicContact CG-CG2 3.96Å; Y158-V172 PolarHBondContact N-O 3.33Å; Y158-Y173 AromaticContact CD2-CD1 3.68Å; Y158-Y173 HydrophobicContact CD2-CD1 3.68Å; Y158-Y173 AromaticContact CD2-CE1 3.11Å; Y158-Y173 HydrophobicContact CD2-CE1 3.11Å; Y158-Y173 AromaticContact CD2-CZ 3.73Å; Y158-Y173 AromaticContact CE2-CE1 3.7Å; Y158-Y173 HydrophobicContact CE2-CE1 3.7Å; Y158-Y173 AromaticContact CE2-CZ 3.98Å; Y158-Y173 AromaticContact CG-CD1 3.94Å; Y158-Y173 HydrophobicContact CG-CD1 3.94Å; Y158-Y173 AromaticContact CG-CE1 3.67Å; Y158-Y173 HydrophobicContact CG-CE1 3.67Å; Y158-P174 WeakPolarHBondContact O-CD 3.01Å
159P72.2Confident67.7Low49 Ų4932.9 Ų32.932%0.31823%0.229SC..THydrogen-bonded Turntrans-57.6-37.6-171.2-25.336.3000113.9Y140 L157 G161 G175Y140-P159 VanDerWaalsContact O-CD 3.23Å; Y140-P159 WeakPolarHBondContact O-CD 3.23Å; L157-P159 HydrophobicContact CG-CG 4.43Å; P159-G161 VanDerWaalsContact C-N 3.35Å; P159-G175 WeakPolarHBondContact O-CA 3.33Å; P159-G175 PolarHBondContact O-N 2.87Å
160V74.4Confident68Low90 Ų9033.5 Ų33.555%0.54524%0.237SC..THydrogen-bonded Turntrans-86.6-8.1-178178.30000112.4P141 Y158P141-V160 VanDerWaalsContact O-CG2 3.23Å; P141-V160 WeakPolarHBondContact O-CG2 3.47Å; Y158-V160 VanDerWaalsContact C-N 3.27Å; Y158-V160 PolarHBondContact O-N 3.36Å
161G71.8Confident69.2Low7 Ų732.3 Ų32.37%0.07223%0.225CC..  trans92.7-179.4-17700000114G143 V144 Y158 P159 G176G143-G161 WeakPolarHBondContact CA-O 3.39Å; V144-G161 PolarHBondContact N-O 3.35Å; Y158-G161 PolarHBondContact O-N 2.91Å; P159-G161 VanDerWaalsContact C-N 3.35Å; G161-G176 WeakPolarHBondContact CA-O 3.27Å
162V71.1Confident69.8Low5 Ų530.3 Ų30.33%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-124.4129.3177.5177.60000108.9V144 V153 Y158 T166 V168 Y173 G176 S178V144-V162 HydrophobicContact CB-CG1 4.34Å; V144-V162 HydrophobicContact CB-CG2 4.29Å; V153-V162 HydrophobicContact CG2-CG1 4.36Å; Y158-V162 HydrophobicContact CD1-CG2 3.94Å; Y158-V162 HydrophobicContact CG-CG2 3.96Å; V162-T166 WeakPolarHBondContact CG1-OG1 3.27Å; V162-V168 HydrophobicContact CG1-CG2 4.3Å; V162-Y173 HydrophobicContact CG2-CD1 3.76Å; V162-Y173 HydrophobicContact CG2-CE1 3.53Å; V162-G176 PolarHBondContact N-O 2.81Å; V162-S178 PolarHBondContact O-N 3.47Å
163S65.1Low70.3Confident33 Ų3330.2 Ų30.223%0.23121%0.212CC..EExtended strand (participates in β ladder)trans-120.6129.4-179.569.10000112.6V144 T145 S178V144-S163 PolarHBondContact O-N 3.03Å; T145-S163 WeakPolarHBondContact CA-OG 3.23Å; T145-S163 VanDerWaalsContact CG2-OG 3.32Å; T145-S163 WeakPolarHBondContact CG2-OG 3.34Å; S163-S178 WeakPolarHBondContact CA-O 3.39Å
164T58.2Low70.3Confident57 Ų5732.4 Ų32.435%0.3523%0.226SC..SBendtrans58.8130.5164.458.30000118.9S178T164-S178 PolarHBondContact N-O 2.99Å
165G60.8Low70.4Confident26 Ų2632.9 Ų32.927%0.26823%0.234SC..SBendtrans84.99.6165.100000117.5
166T61Low70.7Confident14 Ų1432.1 Ų32.19%0.08623%0.227CC..  trans-125.8135.1-173.265.70000111.7V149 V153 V162V149-T166 HydrophobicContact CB-CG2 3.47Å; V149-T166 VanDerWaalsContact CB-CG2 3.47Å; V149-T166 HydrophobicContact CG2-CG2 3.43Å; V149-T166 VanDerWaalsContact CG2-CG2 3.43Å; V153-T166 HydrophobicContact CG2-CG2 4.4Å; V162-T166 WeakPolarHBondContact CG1-OG1 3.27Å
167S67.3Low70.3Confident27 Ų2731.1 Ų31.119%0.18922%0.216CC..  trans-68.4132.5161.3-62.10000108.1G152 V153 G190 T191G152-S167 CarbonylContact C-O 3.59Å; G152-S167 WeakPolarHBondContact CA-O 3.28Å; V153-S167 PolarHBondContact N-O 3.36Å; S167-G190 VanDerWaalsContact OG-C 3.29Å; S167-G190 WeakPolarHBondContact OG-CA 3.38Å; S167-T191 PolarHBondContact OG-N 3.49Å
168V64.8Low69.6Low1 Ų130.7 Ų30.71%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-116.2119-179.8-176.60000108.9V153 V162 Y173 V177 V193 A194V153-V168 CarbonylContact O-C 3.54Å; V153-V168 WeakPolarHBondContact O-CA 3.44Å; V162-V168 HydrophobicContact CG1-CG2 4.3Å; V168-Y173 HydrophobicContact CG1-CE1 3.88Å; V168-Y173 HydrophobicContact CG1-CE2 3.63Å; V168-Y173 WeakPolarHBondContact CG1-OH 3.46Å; V168-V177 HydrophobicContact CG1-CG2 4.49Å; V168-V177 HydrophobicContact CG2-CG1 4.04Å; V168-V193 WeakPolarHBondContact O-CA 3.48Å; V168-A194 PolarHBondContact O-N 3.38Å
169T69.3Low68.6Low79 Ų7931.7 Ų31.749%0.48523%0.225SC..EExtended strand (participates in β ladder)trans-126.3107-176.9-53.80000111.3V153 A154 G155 A194V153-T169 PolarHBondContact O-N 2.75Å; A154-T169 CarbonylContact C-O 3.56Å; A154-T169 WeakPolarHBondContact CA-O 3.47Å; G155-T169 PolarHBondContact N-O 3.41Å; T169-A194 CarbonylContact C-O 3.49Å; T169-A194 WeakPolarHBondContact CA-O 3.45Å
170G65.4Low67.3Low21 Ų2130.4 Ų30.422%0.21622%0.22CC..SBendtrans71.6155.9-179.300000113.2G155 Y173 A194 G195G155-G170 WeakPolarHBondContact CA-O 3.13Å; G155-G170 PolarHBondContact N-O 2.99Å; G170-Y173 WeakPolarHBondContact O-CE2 3.29Å; G170-Y173 PolarHBondContact O-OH 2.87Å; G170-A194 PolarHBondContact N-O 3.21Å; G170-G195 WeakPolarHBondContact CA-O 3.44Å; G170-G195 PolarHBondContact N-O 2.78Å
171G75.3Confident65.3Low18 Ų1831.3 Ų31.319%0.18623%0.226CC..  trans124.6179.4177.400000113.6G156 G196 V197G156-G171 WeakPolarHBondContact O-CA 3.44Å; G171-G196 CarbonylContact O-C 3.35Å; G171-G196 WeakPolarHBondContact O-CA 3.13Å; G171-V197 PolarHBondContact O-N 3.44Å
172V76.7Confident63.2Low58 Ų5834.6 Ų34.635%0.35224%0.244SC..BIsolated β-bridgetrans-120.7121.3177.8-177.30000108.7G156 L157 Y158 P174 V197G156-V172 PolarHBondContact O-N 2.87Å; L157-V172 HydrophobicContact CD1-CB 3.73Å; L157-V172 HydrophobicContact CD1-CG1 3.8Å; Y158-V172 PolarHBondContact N-O 3.33Å; V172-P174 HydrophobicContact CG1-CG 4.35Å; V172-P174 WeakPolarHBondContact O-CD 3.4Å; V172-V197 HydrophobicContact CG1-CB 4.44Å; V172-V197 HydrophobicContact CG2-CB 4.44Å
173Y78.4Confident61Low0 Ų037 Ų370%027%0.27CS..  trans-125.175-171.9-58-88000110.5Y158 V162 V168 G170 G175 G176 V177 V197 Y198 P199Y158-Y173 AromaticContact CD2-CD1 3.68Å; Y158-Y173 HydrophobicContact CD2-CD1 3.68Å; Y158-Y173 AromaticContact CD2-CE1 3.11Å; Y158-Y173 HydrophobicContact CD2-CE1 3.11Å; Y158-Y173 AromaticContact CD2-CZ 3.73Å; Y158-Y173 AromaticContact CE2-CE1 3.7Å; Y158-Y173 HydrophobicContact CE2-CE1 3.7Å; Y158-Y173 AromaticContact CE2-CZ 3.98Å; Y158-Y173 AromaticContact CG-CD1 3.94Å; Y158-Y173 HydrophobicContact CG-CD1 3.94Å; Y158-Y173 AromaticContact CG-CE1 3.67Å; Y158-Y173 HydrophobicContact CG-CE1 3.67Å; V162-Y173 HydrophobicContact CG2-CD1 3.76Å; V162-Y173 HydrophobicContact CG2-CE1 3.53Å; V168-Y173 HydrophobicContact CG1-CE1 3.88Å; V168-Y173 HydrophobicContact CG1-CE2 3.63Å; V168-Y173 WeakPolarHBondContact CG1-OH 3.46Å; G170-Y173 WeakPolarHBondContact O-CE2 3.29Å; G170-Y173 PolarHBondContact O-OH 2.87Å; Y173-G175 VanDerWaalsContact C-N 3.26Å; Y173-G175 PolarHBondContact O-N 2.77Å; Y173-G176 PolarHBondContact O-N 3.16Å; Y173-V177 HydrophobicContact CD1-CG2 3.83Å; Y173-V177 HydrophobicContact CD2-CG2 4.28Å; Y173-V177 HydrophobicContact CE1-CG2 4.43Å; Y173-V177 HydrophobicContact CG-CG2 3.77Å; Y173-V197 PolarHBondContact N-O 3.2Å; Y173-Y198 AromaticContact CD2-CD1 3.66Å; Y173-Y198 HydrophobicContact CD2-CD1 3.66Å; Y173-Y198 AromaticContact CD2-CE1 3.14Å; Y173-Y198 HydrophobicContact CD2-CE1 3.14Å; Y173-Y198 AromaticContact CD2-CZ 3.88Å; Y173-Y198 AromaticContact CE2-CE1 3.74Å; Y173-Y198 HydrophobicContact CE2-CE1 3.74Å; Y173-Y198 AromaticContact CG-CD1 3.97Å; Y173-Y198 HydrophobicContact CG-CD1 3.97Å; Y173-Y198 AromaticContact CG-CE1 3.79Å; Y173-Y198 HydrophobicContact CG-CE1 3.79Å; Y173-P199 WeakPolarHBondContact O-CD 3.49Å
174P72.7Confident58.9Low47 Ų4742.6 Ų42.631%0.30530%0.303SS..THydrogen-bonded Turntrans-53.7-41.5-178.7-24.433.5000113.3L157 Y158 V172 G176 G200L157-P174 HydrophobicContact CD1-CG 4.37Å; Y158-P174 WeakPolarHBondContact O-CD 3.01Å; V172-P174 HydrophobicContact CG1-CG 4.35Å; V172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-G176 PolarHBondContact O-N 3.41Å; P174-G200 WeakPolarHBondContact O-CA 3.07Å; P174-G200 PolarHBondContact O-N 2.97Å; P174-G200 VanDerWaalsContact O-N 3.12Å
175G71.9Confident57.2Low46 Ų4646.2 Ų46.247%0.47433%0.326SS..THydrogen-bonded Turntrans-76.7-0.2178.100000115.4P159 Y173P159-G175 WeakPolarHBondContact O-CA 3.33Å; P159-G175 PolarHBondContact O-N 2.87Å; Y173-G175 VanDerWaalsContact C-N 3.26Å; Y173-G175 PolarHBondContact O-N 2.77Å
176G73.1Confident55.3Low5 Ų548.7 Ų48.75%0.05235%0.351CS..  trans83177.8-176.500000114.2G161 V162 Y173 P174 G201G161-G176 WeakPolarHBondContact CA-O 3.27Å; V162-G176 PolarHBondContact N-O 2.81Å; Y173-G176 PolarHBondContact O-N 3.16Å; P174-G176 PolarHBondContact O-N 3.41Å; G176-G201 WeakPolarHBondContact CA-O 3.36Å
177V70.6Confident53.4Low2 Ų251.3 Ų51.31%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-125.5127.2175.9173.80000109.2V168 Y173 T179 V193 Y198 G201 V202 G203V168-V177 HydrophobicContact CG1-CG2 4.49Å; V168-V177 HydrophobicContact CG2-CG1 4.04Å; Y173-V177 HydrophobicContact CD1-CG2 3.83Å; Y173-V177 HydrophobicContact CD2-CG2 4.28Å; Y173-V177 HydrophobicContact CE1-CG2 4.43Å; Y173-V177 HydrophobicContact CG-CG2 3.77Å; V177-T179 HydrophobicContact CG1-CG2 4.24Å; V177-V193 HydrophobicContact CG1-CG2 4.39Å; V177-Y198 HydrophobicContact CB-CD1 4.4Å; V177-Y198 HydrophobicContact CB-CE1 4.39Å; V177-Y198 HydrophobicContact CG2-CD1 3.71Å; V177-Y198 HydrophobicContact CG2-CE1 3.54Å; V177-G201 PolarHBondContact N-O 2.93Å; V177-V202 CarbonylContact O-C 3.59Å; V177-V202 WeakPolarHBondContact O-CA 3.47Å; V177-G203 PolarHBondContact O-N 3.03Å
178S62.6Low51.2Low59 Ų5955.2 Ų55.241%0.41340%0.398SS..EExtended strand (participates in β ladder)trans-112.8105.2174.1-67.40000108.9V162 S163 T164V162-S178 PolarHBondContact O-N 3.47Å; S163-S178 WeakPolarHBondContact CA-O 3.39Å; T164-S178 PolarHBondContact N-O 2.99Å
179T59Low49.3Very low22 Ų2258 Ų5814%0.13543%0.427CS..  trans-77.4145.5173.5570000109.2V177 V193 A204 G205V177-T179 HydrophobicContact CG1-CG2 4.24Å; T179-V193 HydrophobicContact CG2-CG2 4.25Å; T179-A204 CarbonylContact O-C 3.5Å; T179-A204 VanDerWaalsContact O-O 3.06Å; T179-G205 WeakPolarHBondContact O-CA 3.35Å; T179-G205 WeakPolarHBondContact OG1-CA 3.39Å
180G43.6Very low47.5Very low21 Ų2156.4 Ų56.422%0.21643%0.426CS..  trans-110.8150.9176.500000110.1V182G180-V182 PolarHBondContact O-N 3.03Å
181T32.3Very low46.5Very low110 Ų11057.8 Ų57.868%0.67543%0.43SS*.PPolyproline II helixtrans-65.1119.4171.6-43.30000109.8
182V28.1Very low45.3Very low75 Ų7557.4 Ų57.446%0.45543%0.427SS..PPolyproline II helixtrans-90.5126.3174.8-178.70000109.2G180 I187G180-V182 PolarHBondContact O-N 3.03Å; V182-I187 HydrophobicContact CG1-CB 4.09Å; V182-I187 HydrophobicContact CG1-CD1 3.9Å; V182-I187 HydrophobicContact CG1-CG1 4.05Å
183G24.1Very low44.5Very low55 Ų5554.7 Ų54.757%0.56741%0.41SS*.PPolyproline II helixtrans-62.1159.6-179.400000114T185G183-T185 PolarHBondContact O-N 2.05Å
184T22Very low43.6Very low152 Ų15256.3 Ų56.393%0.93342%0.423SS*.SBendtrans-64.45.7-169.443.90000116.5
185T21.4Very low43Very low133 Ų13355.3 Ų55.382%0.81642%0.422SS*.SBendtrans-141.5100.5-178.1390000110G183G183-T185 PolarHBondContact O-N 2.05Å
186G21.1Very low42.7Very low78 Ų7854 Ų5480%0.80441%0.409SS*.SBendtrans127.14.3154.400000120.8
187I21.3Very low42.8Very low68 Ų6856.5 Ų56.535%0.34942%0.423SS..  trans-135.794.9165.1-46.2178.1000109.2T148 V182 G189T148-I187 HydrophobicContact CG2-CD1 3.56Å; T148-I187 HydrophobicContact CG2-CG1 4.25Å; V182-I187 HydrophobicContact CG1-CB 4.09Å; V182-I187 HydrophobicContact CG1-CD1 3.9Å; V182-I187 HydrophobicContact CG1-CG1 4.05Å; I187-G189 PolarHBondContact O-N 3.08Å
188A22.1Very low43Very low109 Ų10956.4 Ų56.490%0.90142%0.422SS*.THydrogen-bonded Turntrans-67.4119.2167.200000108.9
189G25.3Very low43.4Very low60 Ų6056.2 Ų56.262%0.61942%0.42SS*.THydrogen-bonded Turntrans99.821.5157.900000119I187 T191I187-G189 PolarHBondContact O-N 3.08Å; G189-T191 VanDerWaalsContact C-N 3.26Å; G189-T191 PolarHBondContact O-N 2.99Å
190G31.3Very low43.9Very low46 Ų4657.5 Ų57.547%0.47444%0.437SS..  trans-80.258.4176.600000114.4S167S167-G190 VanDerWaalsContact OG-C 3.29Å; S167-G190 WeakPolarHBondContact OG-CA 3.38Å
191T43.5Very low45.3Very low49 Ų4956.8 Ų56.830%0.30143%0.429SS..  trans-106.4113.2-16757.90000111.6S167 G189 T210S167-T191 PolarHBondContact OG-N 3.49Å; G189-T191 VanDerWaalsContact C-N 3.26Å; G189-T191 PolarHBondContact O-N 2.99Å; T191-T210 WeakPolarHBondContact CA-OG1 3.05Å; T191-T210 WeakPolarHBondContact CB-OG1 3.15Å; T191-T210 PolarHBondContact O-OG1 3.42Å; T191-T210 WeakPolarHBondContact OG1-CG2 3.13Å; T191-T210 PolarHBondContact OG1-OG1 3.04Å; T191-T210 VanDerWaalsContact OG1-OG1 3.13Å
192G50.7Low47Very low11 Ų1151.6 Ų51.611%0.11340%0.398CS..  trans105.5151.9158.300000117.2T210 G211G192-T210 PolarHBondContact N-OG1 2.89Å; G192-G211 WeakPolarHBondContact CA-O 3.49Å
193V59.6Low48.7Very low1 Ų149 Ų491%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-101.7114.2162.6178.10000105.3V168 V177 T179 Y198 V202 I212 A213V168-V193 WeakPolarHBondContact O-CA 3.48Å; V177-V193 HydrophobicContact CG1-CG2 4.39Å; T179-V193 HydrophobicContact CG2-CG2 4.25Å; V193-Y198 HydrophobicContact CG1-CE1 3.85Å; V193-Y198 HydrophobicContact CG1-CE2 3.81Å; V193-Y198 WeakPolarHBondContact CG1-OH 3.39Å; V193-V202 HydrophobicContact CG1-CG2 4.44Å; V193-V202 HydrophobicContact CG2-CG1 4.18Å; V193-I212 CarbonylContact O-C 3.49Å; V193-I212 WeakPolarHBondContact O-CA 3.14Å; V193-A213 PolarHBondContact O-N 3.13Å
194A60.4Low49.6Very low33 Ų3350.2 Ų50.227%0.27339%0.391SS..EExtended strand (participates in β ladder)trans-130.3116-173.900000111.2V168 T169 G170 A213V168-A194 PolarHBondContact O-N 3.38Å; T169-A194 CarbonylContact C-O 3.49Å; T169-A194 WeakPolarHBondContact CA-O 3.45Å; G170-A194 PolarHBondContact N-O 3.21Å; A194-A213 HydrophobicContact CB-CB 4.02Å
195G58.4Low51Low26 Ų2643.6 Ų43.627%0.26835%0.353SS..SBendtrans76.4132.2-179.600000112.3G170 Y198 A213 A214G170-G195 WeakPolarHBondContact CA-O 3.44Å; G170-G195 PolarHBondContact N-O 2.78Å; G195-Y198 PolarHBondContact O-OH 3.14Å; G195-A213 PolarHBondContact N-O 3.08Å; G195-A214 WeakPolarHBondContact CA-O 3.32Å; G195-A214 PolarHBondContact N-O 2.62Å
196G67.4Low51.9Low20 Ų2041.1 Ų41.121%0.20634%0.338CS..  trans140.6177.7171.200000114.3G171 G215 V216G171-G196 CarbonylContact O-C 3.35Å; G171-G196 WeakPolarHBondContact O-CA 3.13Å; G196-G215 WeakPolarHBondContact O-CA 3.43Å; G196-V216 PolarHBondContact O-N 3.22Å
197V73.3Confident53.4Low56 Ų5637.8 Ų37.834%0.33930%0.302SS..BIsolated β-bridgetrans-118.1121.7176.5-175.30000108.7G171 V172 Y173 P199 V216G171-V197 PolarHBondContact O-N 3.44Å; V172-V197 HydrophobicContact CG1-CB 4.44Å; V172-V197 HydrophobicContact CG2-CB 4.44Å; Y173-V197 PolarHBondContact N-O 3.2Å; V197-P199 HydrophobicContact CG1-CG 4.28Å; V197-P199 WeakPolarHBondContact O-CD 3.44Å; V197-V216 HydrophobicContact CG1-CB 4.41Å
198Y75.7Confident54.6Low0 Ų035.5 Ų35.50%030%0.295CS..  trans-125.272.7-172.4-53.7-86.6000111.3Y173 V177 V193 G195 G200 G201 V202 V216 Y217 P218Y173-Y198 AromaticContact CD2-CD1 3.66Å; Y173-Y198 HydrophobicContact CD2-CD1 3.66Å; Y173-Y198 AromaticContact CD2-CE1 3.14Å; Y173-Y198 HydrophobicContact CD2-CE1 3.14Å; Y173-Y198 AromaticContact CD2-CZ 3.88Å; Y173-Y198 AromaticContact CE2-CE1 3.74Å; Y173-Y198 HydrophobicContact CE2-CE1 3.74Å; Y173-Y198 AromaticContact CG-CD1 3.97Å; Y173-Y198 HydrophobicContact CG-CD1 3.97Å; Y173-Y198 AromaticContact CG-CE1 3.79Å; Y173-Y198 HydrophobicContact CG-CE1 3.79Å; V177-Y198 HydrophobicContact CB-CD1 4.4Å; V177-Y198 HydrophobicContact CB-CE1 4.39Å; V177-Y198 HydrophobicContact CG2-CD1 3.71Å; V177-Y198 HydrophobicContact CG2-CE1 3.54Å; V193-Y198 HydrophobicContact CG1-CE1 3.85Å; V193-Y198 HydrophobicContact CG1-CE2 3.81Å; V193-Y198 WeakPolarHBondContact CG1-OH 3.39Å; G195-Y198 PolarHBondContact O-OH 3.14Å; Y198-G200 VanDerWaalsContact C-N 3.25Å; Y198-G200 PolarHBondContact O-N 3.03Å; Y198-G201 PolarHBondContact O-N 2.8Å; Y198-V202 HydrophobicContact CD1-CG2 4.33Å; Y198-V202 HydrophobicContact CG-CG2 4.22Å; Y198-V216 PolarHBondContact N-O 3.32Å; Y198-Y217 AromaticContact CD2-CD1 3.54Å; Y198-Y217 HydrophobicContact CD2-CD1 3.54Å; Y198-Y217 AromaticContact CD2-CE1 3.09Å; Y198-Y217 HydrophobicContact CD2-CE1 3.09Å; Y198-Y217 AromaticContact CD2-CZ 3.82Å; Y198-Y217 HydrophobicContact CE2-CD1 4.43Å; Y198-Y217 AromaticContact CE2-CE1 3.56Å; Y198-Y217 HydrophobicContact CE2-CE1 3.56Å; Y198-Y217 AromaticContact CE2-CZ 3.94Å; Y198-Y217 AromaticContact CG-CD1 3.93Å; Y198-Y217 HydrophobicContact CG-CD1 3.93Å; Y198-Y217 AromaticContact CG-CE1 3.77Å; Y198-Y217 HydrophobicContact CG-CE1 3.77Å; Y198-P218 WeakPolarHBondContact O-CD 3.13Å
199P70.4Confident55.5Low56 Ų5635.8 Ų35.836%0.36429%0.285SS..THydrogen-bonded Turntrans-54.9-40.4-179.7-22.633.1000113Y173 V197 G201 G219Y173-P199 WeakPolarHBondContact O-CD 3.49Å; V197-P199 HydrophobicContact CG1-CG 4.28Å; V197-P199 WeakPolarHBondContact O-CD 3.44Å; P199-G201 PolarHBondContact O-N 2.85Å; P199-G219 WeakPolarHBondContact O-CA 3.43Å; P199-G219 PolarHBondContact O-N 3.03Å
200G70.1Confident56.5Low49 Ų4936.7 Ų36.751%0.50528%0.279SS..THydrogen-bonded Turntrans-77.60.6178.500000115.5P174 Y198P174-G200 WeakPolarHBondContact O-CA 3.07Å; P174-G200 PolarHBondContact O-N 2.97Å; P174-G200 VanDerWaalsContact O-N 3.12Å; Y198-G200 VanDerWaalsContact C-N 3.25Å; Y198-G200 PolarHBondContact O-N 3.03Å
201G72.5Confident57.6Low5 Ų534.6 Ų34.65%0.05226%0.257CS..  trans81.2178.8-176.500000114.2G176 V177 Y198 P199 G220G176-G201 WeakPolarHBondContact CA-O 3.36Å; V177-G201 PolarHBondContact N-O 2.93Å; Y198-G201 PolarHBondContact O-N 2.8Å; P199-G201 PolarHBondContact O-N 2.85Å; G201-G220 WeakPolarHBondContact CA-O 3.13Å
202V68.3Low58.2Low1 Ų132.6 Ų32.61%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-114.3112174.8177.50000108.3V177 V193 Y198 I212 Y217 P222V177-V202 CarbonylContact O-C 3.59Å; V177-V202 WeakPolarHBondContact O-CA 3.47Å; V193-V202 HydrophobicContact CG1-CG2 4.44Å; V193-V202 HydrophobicContact CG2-CG1 4.18Å; Y198-V202 HydrophobicContact CD1-CG2 4.33Å; Y198-V202 HydrophobicContact CG-CG2 4.22Å; V202-I212 HydrophobicContact CG1-CD1 4.35Å; V202-Y217 HydrophobicContact CG2-CD1 3.7Å; V202-Y217 HydrophobicContact CG2-CE1 3.5Å; V202-P222 WeakPolarHBondContact O-CD 3.39Å
203G63.2Low58.4Low20 Ų2033.8 Ų33.821%0.20625%0.253CS..EExtended strand (participates in β ladder)trans-84.9164.8-176.400000114.5V177 G205V177-G203 PolarHBondContact O-N 3.03Å; G203-G205 PolarHBondContact O-N 3.13Å
204A43.5Very low58.2Low82 Ų8236.4 Ų36.468%0.67828%0.275SS*.SBendtrans-62.4121.2-166.300000115.3T179T179-A204 CarbonylContact O-C 3.5Å; T179-A204 VanDerWaalsContact O-O 3.06Å
205G52Low58.2Low13 Ų1335.3 Ų35.313%0.13427%0.268CS..SBendtrans-161.4161.4161.600000109T179 G203 V207T179-G205 WeakPolarHBondContact O-CA 3.35Å; T179-G205 WeakPolarHBondContact OG1-CA 3.39Å; G203-G205 PolarHBondContact O-N 3.13Å; G205-V207 PolarHBondContact O-N 3.19Å
206T40.7Very low58.7Low81 Ų8137.2 Ų37.250%0.49727%0.274SS..  trans-63.5102.4174.8-49.90000108.9G208T206-G208 PolarHBondContact O-N 2.87Å
207V51.6Low58.8Low7 Ų736.5 Ų36.54%0.04227%0.265CS..  trans-69.1118168.8176.10000106.4G205 G211 I212 I225G205-V207 PolarHBondContact O-N 3.19Å; V207-G211 VanDerWaalsContact CG1-C 3.44Å; V207-I212 HydrophobicContact CG1-CG1 4.24Å; V207-I212 HydrophobicContact CG2-CD1 4.41Å; V207-I212 HydrophobicContact CG2-CG1 4.17Å; V207-I225 HydrophobicContact CB-CG2 3.56Å; V207-I225 HydrophobicContact CG2-CD1 4.28Å; V207-I225 HydrophobicContact CG2-CG2 3.33Å
208G46Very low58.4Low20 Ų2036.7 Ų36.721%0.20627%0.267CS..  trans-58.7-179.4179.900000113.2T206 T210 G211T206-G208 PolarHBondContact O-N 2.87Å; G208-T210 PolarHBondContact O-N 2.91Å; G208-G211 PolarHBondContact O-N 2.94Å
209T41.9Very low57.8Low115 Ų11538.5 Ų38.571%0.70629%0.286SS*.THydrogen-bonded Turntrans-54.9-16.8-171.448.70000116T228T209-T228 PolarHBondContact O-OG1 3.15Å
210T46.5Very low57.6Low79 Ų7936.3 Ų36.349%0.48527%0.273SS..THydrogen-bonded Turntrans-89.8-4.5179.457.70000115T191 G192 G208T191-T210 WeakPolarHBondContact CA-OG1 3.05Å; T191-T210 WeakPolarHBondContact CB-OG1 3.15Å; T191-T210 PolarHBondContact O-OG1 3.42Å; T191-T210 WeakPolarHBondContact OG1-CG2 3.13Å; T191-T210 PolarHBondContact OG1-OG1 3.04Å; T191-T210 VanDerWaalsContact OG1-OG1 3.13Å; G192-T210 PolarHBondContact N-OG1 2.89Å; G208-T210 PolarHBondContact O-N 2.91Å
211G53.7Low57.4Low2 Ų236.7 Ų36.72%0.02126%0.263CS..  trans68.7-171.7171.200000115.5G192 V207 G208 G229G192-G211 WeakPolarHBondContact CA-O 3.49Å; V207-G211 VanDerWaalsContact CG1-C 3.44Å; G208-G211 PolarHBondContact O-N 2.94Å; G211-G229 CarbonylContact C-O 3.51Å; G211-G229 VanDerWaalsContact CA-O 3.23Å; G211-G229 WeakPolarHBondContact CA-O 3.34Å
212I57.2Low56.7Low8 Ų839.6 Ų39.64%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-95.6110.1172.8-61.7173.9000106.6V193 V202 V207 Y217 I221 I225 G229 A231V193-I212 CarbonylContact O-C 3.49Å; V193-I212 WeakPolarHBondContact O-CA 3.14Å; V202-I212 HydrophobicContact CG1-CD1 4.35Å; V207-I212 HydrophobicContact CG1-CG1 4.24Å; V207-I212 HydrophobicContact CG2-CD1 4.41Å; V207-I212 HydrophobicContact CG2-CG1 4.17Å; I212-Y217 HydrophobicContact CG2-CE1 4.14Å; I212-Y217 HydrophobicContact CG2-CE2 3.98Å; I212-Y217 VanDerWaalsContact CG2-CZ 3.48Å; I212-Y217 WeakPolarHBondContact CG2-OH 3.35Å; I212-I221 HydrophobicContact CD1-CD1 3.9Å; I212-I221 HydrophobicContact CD1-CG1 4.42Å; I212-I221 HydrophobicContact CD1-CG2 3.98Å; I212-I225 HydrophobicContact CD1-CD1 4.11Å; I212-G229 PolarHBondContact N-O 3.1Å; I212-A231 PolarHBondContact O-N 3.17Å
213A54.5Low55.5Low35 Ų3545 Ų4529%0.28933%0.326SS..EExtended strand (participates in β ladder)trans-99.6146178.700000110.7V193 A194 G195 Y217V193-A213 PolarHBondContact O-N 3.13Å; A194-A213 HydrophobicContact CB-CB 4.02Å; G195-A213 PolarHBondContact N-O 3.08Å; A213-Y217 PolarHBondContact O-OH 3.21Å
214A55.1Low54.9Low56 Ų5647.2 Ų47.246%0.46335%0.349SS..SBendtrans17.7108.1170.100000116.5G195 A231G195-A214 WeakPolarHBondContact CA-O 3.32Å; G195-A214 PolarHBondContact N-O 2.62Å; A214-A231 PolarHBondContact N-O 2.76Å
215G60.4Low55.2Low11 Ų1145 Ų4511%0.11333%0.326CS..  trans-171.8168.6176.600000112.3G196 Y217 G233 I234G196-G215 WeakPolarHBondContact O-CA 3.43Å; G215-Y217 VanDerWaalsContact C-CE2 3.44Å; G215-Y217 WeakPolarHBondContact O-CD2 3.41Å; G215-Y217 WeakPolarHBondContact O-CE2 3.27Å; G215-G233 VanDerWaalsContact O-CA 3.3Å; G215-G233 WeakPolarHBondContact O-CA 3.5Å; G215-I234 PolarHBondContact O-N 3.37Å
216V68Low54.5Low65 Ų6549.2 Ų49.239%0.39435%0.351SS..EExtended strand (participates in β ladder)trans-103.1119.8175.3-174.50000108.3G196 V197 Y198 P218G196-V216 PolarHBondContact O-N 3.22Å; V197-V216 HydrophobicContact CG1-CB 4.41Å; Y198-V216 PolarHBondContact N-O 3.32Å; V216-P218 HydrophobicContact CG1-CG 4.21Å; V216-P218 WeakPolarHBondContact O-CD 3.05Å
217Y70.5Confident54.8Low6 Ų647 Ų472%0.02434%0.344CS..EExtended strand (participates in β ladder)trans-123.576.6-174.5-53.3-83.3000111.2Y198 V202 I212 A213 G215 G219 G220 I234Y198-Y217 AromaticContact CD2-CD1 3.54Å; Y198-Y217 HydrophobicContact CD2-CD1 3.54Å; Y198-Y217 AromaticContact CD2-CE1 3.09Å; Y198-Y217 HydrophobicContact CD2-CE1 3.09Å; Y198-Y217 AromaticContact CD2-CZ 3.82Å; Y198-Y217 HydrophobicContact CE2-CD1 4.43Å; Y198-Y217 AromaticContact CE2-CE1 3.56Å; Y198-Y217 HydrophobicContact CE2-CE1 3.56Å; Y198-Y217 AromaticContact CE2-CZ 3.94Å; Y198-Y217 AromaticContact CG-CD1 3.93Å; Y198-Y217 HydrophobicContact CG-CD1 3.93Å; Y198-Y217 AromaticContact CG-CE1 3.77Å; Y198-Y217 HydrophobicContact CG-CE1 3.77Å; V202-Y217 HydrophobicContact CG2-CD1 3.7Å; V202-Y217 HydrophobicContact CG2-CE1 3.5Å; I212-Y217 HydrophobicContact CG2-CE1 4.14Å; I212-Y217 HydrophobicContact CG2-CE2 3.98Å; I212-Y217 VanDerWaalsContact CG2-CZ 3.48Å; I212-Y217 WeakPolarHBondContact CG2-OH 3.35Å; A213-Y217 PolarHBondContact O-OH 3.21Å; G215-Y217 VanDerWaalsContact C-CE2 3.44Å; G215-Y217 WeakPolarHBondContact O-CD2 3.41Å; G215-Y217 WeakPolarHBondContact O-CE2 3.27Å; Y217-G219 VanDerWaalsContact C-N 3.25Å; Y217-G219 PolarHBondContact O-N 3.19Å; Y217-G220 PolarHBondContact O-N 3.1Å; Y217-I234 PolarHBondContact N-O 3.42Å
218P63.8Low54.3Low59 Ų5953.1 Ų53.138%0.38338%0.381SS..THydrogen-bonded Turntrans-61.7-32.4179-22.233.6000113.5Y198 V216 G220 V236Y198-P218 WeakPolarHBondContact O-CD 3.13Å; V216-P218 HydrophobicContact CG1-CG 4.21Å; V216-P218 WeakPolarHBondContact O-CD 3.05Å; P218-G220 VanDerWaalsContact C-N 3.33Å; P218-G220 PolarHBondContact O-N 3.01Å; P218-V236 HydrophobicContact CB-CG2 4.44Å
219G64.3Low54.3Low38 Ų3853.4 Ų53.439%0.39239%0.385SS..THydrogen-bonded Turntrans-83.91.9-178.400000115.5P199 Y217P199-G219 WeakPolarHBondContact O-CA 3.43Å; P199-G219 PolarHBondContact O-N 3.03Å; Y217-G219 VanDerWaalsContact C-N 3.25Å; Y217-G219 PolarHBondContact O-N 3.19Å
220G66.9Low54.8Low10 Ų1054 Ų5410%0.10338%0.382CS..  trans75.4176.3-177.500000114.7G201 Y217 P218G201-G220 WeakPolarHBondContact CA-O 3.13Å; Y217-G220 PolarHBondContact O-N 3.1Å; P218-G220 VanDerWaalsContact C-N 3.33Å; P218-G220 PolarHBondContact O-N 3.01Å
221I64.8Low54.7Low57 Ų5753.3 Ų53.329%0.29239%0.385SS..  trans-121.6121.5175.2-57.1170000106.2I212 A223 I225I212-I221 HydrophobicContact CD1-CD1 3.9Å; I212-I221 HydrophobicContact CD1-CG1 4.42Å; I212-I221 HydrophobicContact CD1-CG2 3.98Å; I221-A223 PolarHBondContact O-N 3.14Å; I221-I225 HydrophobicContact CG2-CD1 3.57Å; I221-I225 HydrophobicContact CG2-CG1 4.38Å
222P58.2Low54.4Low66 Ų6656.5 Ų56.543%0.42942%0.418SS..  trans-59.5135.7179.2-20.631.3000111.6V202 G224V202-P222 WeakPolarHBondContact O-CD 3.39Å; P222-G224 PolarHBondContact O-N 3.42Å; P222-G224 VanDerWaalsContact O-N 3.07Å
223A42.8Very low53.9Low114 Ų11457.7 Ų57.794%0.94243%0.432SS*.THydrogen-bonded Turntrans-64.1108.4171.600000109I221I221-A223 PolarHBondContact O-N 3.14Å
224G49.6Very low53.4Low68 Ų6862.3 Ų62.370%0.70145%0.45SS*.THydrogen-bonded Turntrans155.4-4.1-175.300000115.1P222 P226P222-G224 PolarHBondContact O-N 3.42Å; P222-G224 VanDerWaalsContact O-N 3.07Å; G224-P226 VanDerWaalsContact O-CD 3.27Å; G224-P226 WeakPolarHBondContact O-CD 3.34Å
225I50.9Low52.9Low36 Ų3662.1 Ų62.119%0.18545%0.454CS..  trans-89.2107.6175.9-54.1-174.5000109.4V207 I212 I221 G227V207-I225 HydrophobicContact CB-CG2 3.56Å; V207-I225 HydrophobicContact CG2-CD1 4.28Å; V207-I225 HydrophobicContact CG2-CG2 3.33Å; I212-I225 HydrophobicContact CD1-CD1 4.11Å; I221-I225 HydrophobicContact CG2-CD1 3.57Å; I221-I225 HydrophobicContact CG2-CG1 4.38Å; I225-G227 PolarHBondContact O-N 3.04Å
226P36.9Very low51.8Low101 Ų10166 Ų6666%0.65648%0.475SS*.  trans-8897.8174.4172000108.1G224G224-P226 VanDerWaalsContact O-CD 3.27Å; G224-P226 WeakPolarHBondContact O-CD 3.34Å
227G47.5Very low50.3Low35 Ų3568.6 Ų68.636%0.36149%0.493SS..  trans-143.9139.1174.700000110.7I225 G229I225-G227 PolarHBondContact O-N 3.04Å; G227-G229 PolarHBondContact O-N 3.01Å
228T40.2Very low48.6Very low134 Ų13472.1 Ų72.182%0.82252%0.519SS*.SBendtrans-74.226.8-172.241.90000115.3T209T209-T228 PolarHBondContact O-OG1 3.15Å
229G46.8Very low47Very low27 Ų2776.3 Ų76.328%0.27854%0.543SS..  trans-175.3104.8-179.300000114.1G211 I212 G227G211-G229 CarbonylContact C-O 3.51Å; G211-G229 VanDerWaalsContact CA-O 3.23Å; G211-G229 WeakPolarHBondContact CA-O 3.34Å; I212-G229 PolarHBondContact N-O 3.1Å; G227-G229 PolarHBondContact O-N 3.01Å
230I52.7Low45.4Very low127 Ų12782.1 Ų82.165%0.65156%0.56SS**EExtended strand (participates in β ladder)trans-99.1106.2151.3-59.2175.6000104.8
231A43.5Very low43.5Very low65 Ų6586.9 Ų86.954%0.53759%0.589SS.*EExtended strand (participates in β ladder)trans-119108.8177.300000109.5I212 A214I212-A231 PolarHBondContact O-N 3.17Å; A214-A231 PolarHBondContact N-O 2.76Å
232G47Very low42.1Very low69 Ų6990.3 Ų90.371%0.71161%0.613SS**SBendtrans85.828.5162.500000118.3
233G47.4Very low41Very low33 Ų3392.8 Ų92.834%0.3463%0.626SS.*  trans-96138173.500000113.6G215 G235G215-G233 VanDerWaalsContact O-CA 3.3Å; G215-G233 WeakPolarHBondContact O-CA 3.5Å; G233-G235 PolarHBondContact O-N 3.42Å
234I44.8Very low40.5Very low131 Ų13192.7 Ų92.767%0.67262%0.616SS**EExtended strand (participates in β ladder)trans-85.399.8165.6-56.2175.2000106.9G215 Y217G215-I234 PolarHBondContact O-N 3.37Å; Y217-I234 PolarHBondContact N-O 3.42Å
235G43.3Very low39.9Very low53 Ų5397.4 Ų97.455%0.54662%0.623SS.*EExtended strand (participates in β ladder)trans-96.5123.4170.800000110.1G233G233-G235 PolarHBondContact O-N 3.42Å
236V38.4Very low39.1Very low92 Ų92100.4 Ų100.456%0.55865%0.648SS**  trans-82.8133.4162.9-104.90000107.9P218 S238P218-V236 HydrophobicContact CB-CG2 4.44Å; V236-S238 PolarHBondContact O-N 3.03Å; V236-S238 VanDerWaalsContact O-N 3.15Å
237P35.9Very low39Very low120 Ų120101.7 Ų101.778%0.77966%0.656SS**  trans-66.8115.7179.824.8-30.8000110.1V239P237-V239 PolarHBondContact O-N 3.25Å
238S35.8Very low38.5Very low80 Ų80103.7 Ų103.756%0.55968%0.677SS**  trans-71.8120.6165.350.10000109.2V236 Q240V236-S238 PolarHBondContact O-N 3.03Å; V236-S238 VanDerWaalsContact O-N 3.15Å; S238-Q240 PolarHBondContact O-N 3.21Å
239V28.4Very low38.3Very low146 Ų146101 Ų10189%0.88568%0.675SS**  trans-71.9106.9172.8-168.10000108.1P237P237-V239 PolarHBondContact O-N 3.25Å
240Q31.2Very low37.9Very low160 Ų160106.1 Ų106.175%0.74870%0.701SS**  trans-85.3132.9171.5-170.5172.2-47.300109.3S238 T242S238-Q240 PolarHBondContact O-N 3.21Å; Q240-T242 PolarHBondContact O-N 3.4Å; Q240-T242 VanDerWaalsContact O-N 3.11Å
241P27.8Very low37.3Very low110 Ų110106 Ų10671%0.71471%0.708SS**  trans-69.5109170.2-3.417.2000108.8V243P241-V243 PolarHBondContact O-N 3.02Å; P241-V243 VanDerWaalsContact O-N 3.17Å
242T35.1Very low36.9Very low129 Ų129112 Ų11279%0.79173%0.725SS**  trans-70.9104.9167.6-44.10000108Q240Q240-T242 PolarHBondContact O-N 3.4Å; Q240-T242 VanDerWaalsContact O-N 3.11Å
243V35Very low36.2Very low118 Ų118117.4 Ų117.472%0.71573%0.732SS**  trans-74.3124.5166-161.10000107.2P241 I245P241-V243 PolarHBondContact O-N 3.02Å; P241-V243 VanDerWaalsContact O-N 3.17Å; V243-I245 PolarHBondContact O-N 3.17Å
244P33.2Very low35.7Very low112 Ų112121.2 Ų121.273%0.72775%0.751SS**  trans-70.1117.9175.326.6-29.7000109.2S246P244-S246 PolarHBondContact O-N 2.83Å; P244-S246 VanDerWaalsContact O-N 3.17Å
245I37.1Very low35.2Very low167 Ų167121.3 Ų121.386%0.85676%0.758SS**  trans-76.399.8170.6-50.4172.4000106.9V243V243-I245 PolarHBondContact O-N 3.17Å
246S32.8Very low34.8Very low99 Ų99124.4 Ų124.469%0.69277%0.766SS**  trans-87.7135.2163.9-1690000108.8P244 G248P244-S246 PolarHBondContact O-N 2.83Å; P244-S246 VanDerWaalsContact O-N 3.17Å; S246-G248 PolarHBondContact O-N 3.07Å; S246-G248 VanDerWaalsContact O-N 3.12Å
247P36Very low34.3Very low129 Ų129130.8 Ų130.884%0.83878%0.782SS**SBendtrans-73.9107.4-179.728.6-29.9000110.2
248G35.6Very low34.1Very low77 Ų77132 Ų13279%0.79478%0.781SS**SBendtrans105.897.7168.200000114.3S246S246-G248 PolarHBondContact O-N 3.07Å; S246-G248 VanDerWaalsContact O-N 3.12Å
249G35.8Very low33.8Very low76 Ų76133.6 Ų133.678%0.78479%0.789SS**  trans162.6113.5169.400000113.3
250V40.1Very low33.9Very low135 Ų135130.5 Ų130.582%0.81879%0.787SS**  trans-26.4136.7175.7-160.80000116.2Q252V250-Q252 PolarHBondContact O-N 3.37Å
251P38.4Very low33.9Very low125 Ų125127.8 Ų127.881%0.81278%0.781SS**PPolyproline II helixtrans-74.7124.1179.729.8-31.6000111.7
252Q36.2Very low34Very low190 Ų190127.8 Ų127.889%0.88878%0.784SS**PPolyproline II helixtrans-96.1132.6161-71.7-170.1-4.800109.8V250V250-Q252 PolarHBondContact O-N 3.37Å
253Q32.9Very low33.8Very low183 Ų183132.1 Ų132.186%0.85579%0.786SS**PPolyproline II helixtrans-70130.4-178-178.6-179.8-17.800111.7
254P36.9Very low33.9Very low114 Ų114133 Ų13374%0.7479%0.794SS**PPolyproline II helixtrans-83.8120.7173.8-2.520000111.4
255T34.2Very low34.7Very low132 Ų132130.2 Ų130.281%0.8179%0.786SS**  trans-75.7113.3160.137.30000109.7Y257T255-Y257 PolarHBondContact O-N 3.01Å
256T33.1Very low35.4Very low119 Ų119127.1 Ų127.173%0.7379%0.785SS**  trans-78.7108.9178.1-48.50000111.2L258T256-L258 HydrophobicContact CG2-CD1 4.27Å; T256-L258 HydrophobicContact CG2-CG 4.11Å
257Y29.6Very low36.4Very low225 Ų225130.9 Ų130.988%0.88279%0.792SS**  trans-93.7119.8154.3-111.2-98.6000107.1T255 P259T255-Y257 PolarHBondContact O-N 3.01Å; Y257-P259 WeakPolarHBondContact O-CD 3.11Å
258L30.3Very low38.1Very low147 Ų147126.6 Ų126.677%0.7776%0.762SS**  trans-92.7113.2169.5-86.8146.9000108.5T256T256-L258 HydrophobicContact CG2-CD1 4.27Å; T256-L258 HydrophobicContact CG2-CG 4.11Å
259P31Very low40Very low112 Ų112126 Ų12673%0.72774%0.744SS**  trans-75.2146.9167.515.9-3.7000110.2Y257 V261Y257-P259 WeakPolarHBondContact O-CD 3.11Å; P259-V261 PolarHBondContact O-N 2.92Å
260G29.1Very low41.6Very low81 Ų81127 Ų12784%0.83574%0.737SS**  trans-55.4127.7-171.600000114.4S262G260-S262 PolarHBondContact O-N 2.98Å
261V31.8Very low43.3Very low103 Ų103125.9 Ų125.962%0.62473%0.73SS**  trans-85.1103.4172.7-166.30000108P259 W263P259-V261 PolarHBondContact O-N 2.92Å; V261-W263 HydrophobicContact CG1-CZ2 4.38Å
262S30.7Very low45.1Very low111 Ų111123.3 Ų123.378%0.77671%0.707SS**  trans-80.1117.5166.861.10000109G260G260-S262 PolarHBondContact O-N 2.98Å
263W29.9Very low46.7Very low219 Ų219116 Ų11683%0.8367%0.673SS**  trans-83.8129.7176.4-69.688000110.5V261 G265V261-W263 HydrophobicContact CG1-CZ2 4.38Å; W263-G265 PolarHBondContact O-N 3.04Å
264P37.8Very low48.7Very low136 Ų136110.2 Ų110.288%0.88365%0.65SS**  trans-75.483.1169.730.9-30.4000108.3
265G49.5Very low50.7Low55 Ų55110.1 Ų110.157%0.56764%0.64SS**  trans-127.2144.716900000108.9W263 Q267W263-G265 PolarHBondContact O-N 3.04Å; G265-Q267 PolarHBondContact O-N 2.99Å; G265-Q267 VanDerWaalsContact O-N 3.1Å
266A51.7Low52.9Low101 Ų101109.2 Ų109.284%0.83562%0.622SS**  trans-52.9120.5174.500000109.4I268A266-I268 PolarHBondContact O-N 2.85Å
267Q53.4Low55Low179 Ų179103.8 Ų103.884%0.83659%0.589SS**  trans-64.9108.5174-80.9-176.6-40.100108.2G265G265-Q267 PolarHBondContact O-N 2.99Å; G265-Q267 VanDerWaalsContact O-N 3.1Å
268I71.4Confident57.2Low39 Ų3996.9 Ų96.920%0.257%0.567CS.*  trans-62.2129.9169.2-59.4173.9000107P84 A266 E272 Q273P84-I268 HydrophobicContact CB-CD1 4.34Å; A266-I268 PolarHBondContact O-N 2.85Å; I268-E272 HydrophobicContact CG2-CB 3.58Å; I268-E272 HydrophobicContact CG2-CG 3.65Å; I268-Q273 HydrophobicContact CB-CG 3.85Å; I268-Q273 HydrophobicContact CG2-CG 3.76Å; I268-Q273 PolarHBondContact O-NE2 3.32Å
269P75.6Confident59.5Low65 Ų6594.5 Ų94.542%0.42255%0.552SS.*  trans-52.6141.6177.3-25.633.3000111.5T271 E272 Q273P269-T271 PolarHBondContact O-N 3.13Å; P269-E272 PolarHBondContact O-N 2.9Å; P269-Q273 PolarHBondContact O-N 2.88Å
270P71Confident61.8Low97 Ų9792 Ų9263%0.6353%0.532SS*.Hα-helixtrans-52.9-30.5-179.4-28.634.5000114.3T274P270-T274 WeakPolarHBondContact O-CB 3.35Å; P270-T274 PolarHBondContact O-N 3.33Å; P270-T274 PolarHBondContact O-OG1 3.5Å
271T74.6Confident64.1Low110 Ų11089.9 Ų89.968%0.67550%0.501SS*.Hα-helixtrans-66.1-44.917547.40000112.3P269 T274 Q275P269-T271 PolarHBondContact O-N 3.13Å; T271-T274 PolarHBondContact O-N 3.31Å; T271-Q275 WeakPolarHBondContact O-CB 3.42Å; T271-Q275 PolarHBondContact O-N 2.76Å
272E76.3Confident66.3Low72 Ų7291.7 Ų91.734%0.33650%0.497SS..Hα-helixtrans-71-34.8177.4-175.1-173.2162.800111.1I268 P269 Q275 R276I268-E272 HydrophobicContact CG2-CB 3.58Å; I268-E272 HydrophobicContact CG2-CG 3.65Å; P269-E272 PolarHBondContact O-N 2.9Å; E272-Q275 PolarHBondContact O-N 2.94Å; E272-R276 WeakPolarHBondContact O-CB 3.17Å; E272-R276 WeakPolarHBondContact O-CG 3.21Å; E272-R276 PolarHBondContact O-N 2.87Å; E272-R276 IonicContact OE1-CZ 3.42Å; E272-R276 IonicContact OE1-NE 3.14Å; E272-R276 PolarHBondContact OE1-NE 3.12Å; E272-R276 VanDerWaalsContact OE1-NE 3.14Å; E272-R276 IonicContact OE1-NH2 2.8Å; E272-R276 PolarHBondContact OE1-NH2 3.21Å
273Q71Confident68.4Low36 Ų3690.5 Ų90.517%0.16848%0.479CS..Hα-helixtrans-62.5-44.8172.2-68.9175.70.400112.2G59 I268 P269 Q275 R276 C277G59-Q273 VanDerWaalsContact C-OE1 3.31Å; G59-Q273 PolarHBondContact O-NE2 3.5Å; G59-Q273 PolarHBondContact O-OE1 3.35Å; I268-Q273 HydrophobicContact CB-CG 3.85Å; I268-Q273 HydrophobicContact CG2-CG 3.76Å; I268-Q273 PolarHBondContact O-NE2 3.32Å; P269-Q273 PolarHBondContact O-N 2.88Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 2.96Å; Q273-R276 PolarHBondContact O-N 3.02Å; Q273-C277 PolarHBondContact O-N 2.96Å
274T75Confident70.6Confident62 Ų6282.8 Ų82.838%0.3845%0.453SS..Hα-helixtrans-62.3-41.8176.6-57.30000110.6P270 T271 C277 N278P270-T274 WeakPolarHBondContact O-CB 3.35Å; P270-T274 PolarHBondContact O-N 3.33Å; P270-T274 PolarHBondContact O-OG1 3.5Å; T271-T274 PolarHBondContact O-N 3.31Å; T274-C277 PolarHBondContact O-N 2.97Å; T274-N278 WeakPolarHBondContact O-CB 2.98Å; T274-N278 VanDerWaalsContact O-CG 3.3Å; T274-N278 PolarHBondContact O-N 3.15Å; T274-N278 PolarHBondContact O-ND2 3.02Å; T274-N278 VanDerWaalsContact O-ND2 3.15Å
275Q79Confident72.3Confident111 Ų11178.2 Ų78.252%0.51942%0.424SS..Hα-helixtrans-61.6-49.5175.3-177.2178.3-15.800111.8T271 E272 Q273 C277 N278 E279T271-Q275 WeakPolarHBondContact O-CB 3.42Å; T271-Q275 PolarHBondContact O-N 2.76Å; E272-Q275 PolarHBondContact O-N 2.94Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 2.96Å; Q275-C277 VanDerWaalsContact C-N 3.3Å; Q275-C277 PolarHBondContact O-N 2.82Å; Q275-N278 WeakPolarHBondContact O-CB 3.11Å; Q275-N278 PolarHBondContact O-N 3.42Å; Q275-N278 VanDerWaalsContact O-N 3.14Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.37Å; Q275-E279 PolarHBondContact NE2-OE1 3.01Å; Q275-E279 WeakPolarHBondContact O-CG 3.41Å; Q275-E279 PolarHBondContact O-N 2.89Å
276R78.4Confident73.5Confident113 Ų11382 Ų8243%0.42642%0.421SS..Hα-helixtrans-59.1-40.9177.3-74.1177.6-177.8-1202.3111.9E272 Q273 E279 I280E272-R276 WeakPolarHBondContact O-CB 3.17Å; E272-R276 WeakPolarHBondContact O-CG 3.21Å; E272-R276 PolarHBondContact O-N 2.87Å; E272-R276 IonicContact OE1-CZ 3.42Å; E272-R276 IonicContact OE1-NE 3.14Å; E272-R276 PolarHBondContact OE1-NE 3.12Å; E272-R276 VanDerWaalsContact OE1-NE 3.14Å; E272-R276 IonicContact OE1-NH2 2.8Å; E272-R276 PolarHBondContact OE1-NH2 3.21Å; Q273-R276 PolarHBondContact O-N 3.02Å; R276-E279 PolarHBondContact O-N 3.02Å; R276-I280 WeakPolarHBondContact O-CG1 2.99Å; R276-I280 PolarHBondContact O-N 2.87Å
277C77.3Confident74.3Confident6 Ų683.4 Ų83.44%0.04141%0.406CS..Hα-helixtrans-66.9-39177-1650000112.5C62 Q273 T274 Q275 E279 I280 L281C62-C277 HydrophobicContact CB-CB 3.7Å; C62-C277 WeakPolarHBondContact CB-SG 3.18Å; C62-C277 WeakPolarHBondContact SG-CB 3.49Å; C62-C277 CovalentContact SG-SG 2.01Å; C62-C277 PolarHBondContact SG-SG 3.08Å; Q273-C277 PolarHBondContact O-N 2.96Å; T274-C277 PolarHBondContact O-N 2.97Å; Q275-C277 VanDerWaalsContact C-N 3.3Å; Q275-C277 PolarHBondContact O-N 2.82Å; C277-E279 VanDerWaalsContact C-N 3.33Å; C277-E279 PolarHBondContact O-N 3.27Å; C277-I280 PolarHBondContact O-N 2.85Å; C277-L281 WeakPolarHBondContact O-CB 3.3Å; C277-L281 WeakPolarHBondContact O-CG 3.44Å; C277-L281 PolarHBondContact O-N 2.89Å
278N76.3Confident75.1Confident79 Ų7978.6 Ų78.642%0.42239%0.391SS..Hα-helixtrans-64.6-35.6173.7-74.1-34.2000112.7T274 Q275 R282T274-N278 WeakPolarHBondContact O-CB 2.98Å; T274-N278 VanDerWaalsContact O-CG 3.3Å; T274-N278 PolarHBondContact O-N 3.15Å; T274-N278 PolarHBondContact O-ND2 3.02Å; T274-N278 VanDerWaalsContact O-ND2 3.15Å; Q275-N278 WeakPolarHBondContact O-CB 3.11Å; Q275-N278 PolarHBondContact O-N 3.42Å; Q275-N278 VanDerWaalsContact O-N 3.14Å; N278-R282 WeakPolarHBondContact O-CB 3.35Å; N278-R282 WeakPolarHBondContact O-CG 3.17Å; N278-R282 PolarHBondContact O-N 2.98Å
279E79.6Confident75.3Confident97 Ų9783.9 Ų83.945%0.45342%0.415SS..Hα-helixtrans-66.3-43.9174.2-73.7172.2-171.400111.7Q275 R276 C277 L281 R282 E283Q275-E279 WeakPolarHBondContact CG-OE1 3.37Å; Q275-E279 PolarHBondContact NE2-OE1 3.01Å; Q275-E279 WeakPolarHBondContact O-CG 3.41Å; Q275-E279 PolarHBondContact O-N 2.89Å; R276-E279 PolarHBondContact O-N 3.02Å; C277-E279 VanDerWaalsContact C-N 3.33Å; C277-E279 PolarHBondContact O-N 3.27Å; E279-L281 PolarHBondContact O-N 2.82Å; E279-R282 PolarHBondContact O-N 3.17Å; E279-E283 PolarHBondContact O-N 2.78Å
280I78.4Confident75.1Confident59 Ų5986.4 Ų86.430%0.30342%0.421SS..Hα-helixtrans-60.5-46.2174.5-67.8166.1000110.8R276 C277 R282 E283 I284R276-I280 WeakPolarHBondContact O-CG1 2.99Å; R276-I280 PolarHBondContact O-N 2.87Å; C277-I280 PolarHBondContact O-N 2.85Å; I280-R282 VanDerWaalsContact C-N 3.34Å; I280-R282 PolarHBondContact O-N 2.99Å; I280-E283 PolarHBondContact O-N 2.69Å; I280-I284 HydrophobicContact CG2-CD1 3.84Å; I280-I284 HydrophobicContact CG2-CG1 4.47Å; I280-I284 WeakPolarHBondContact O-CG1 3.2Å; I280-I284 PolarHBondContact O-N 3.41Å
281L77.6Confident74.7Confident38 Ų3890 Ų9020%0.19942%0.422CS..Hα-helixtrans-60.8-41.5176.7-77.6164.2000111.9A53 V64 C277 E279 E283 I284 C285A53-L281 HydrophobicContact CB-CD1 4.1Å; V64-L281 HydrophobicContact CG1-CD2 3.98Å; V64-L281 HydrophobicContact CG2-CD2 4Å; C277-L281 WeakPolarHBondContact O-CB 3.3Å; C277-L281 WeakPolarHBondContact O-CG 3.44Å; C277-L281 PolarHBondContact O-N 2.89Å; E279-L281 PolarHBondContact O-N 2.82Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 3.49Å; L281-I284 PolarHBondContact O-N 3.49Å; L281-C285 WeakPolarHBondContact O-CB 2.89Å; L281-C285 PolarHBondContact O-N 3.22Å; L281-C285 PolarHBondContact O-SG 2.76Å; L281-C285 VanDerWaalsContact O-SG 3.33Å
282R78.1Confident73.6Confident140 Ų14089.6 Ų89.653%0.52842%0.416SS..Hα-helixtrans-61.3-41.9175.5-83-179.4179.6164.71.7112.1N278 E279 I280 C285 R286N278-R282 WeakPolarHBondContact O-CB 3.35Å; N278-R282 WeakPolarHBondContact O-CG 3.17Å; N278-R282 PolarHBondContact O-N 2.98Å; E279-R282 PolarHBondContact O-N 3.17Å; I280-R282 VanDerWaalsContact C-N 3.34Å; I280-R282 PolarHBondContact O-N 2.99Å; R282-C285 PolarHBondContact O-N 3.33Å; R282-R286 WeakPolarHBondContact O-CB 3.48Å; R282-R286 PolarHBondContact O-N 3.4Å
283E75.6Confident72.5Confident87 Ų8791.9 Ų91.941%0.40744%0.435SS..Hα-helixtrans-70.4-38.8-179.9-16061-159.500111.6E279 I280 L281 R286 Y287E279-E283 PolarHBondContact O-N 2.78Å; I280-E283 PolarHBondContact O-N 2.69Å; L281-E283 VanDerWaalsContact C-N 3.34Å; L281-E283 PolarHBondContact O-N 3.49Å; E283-R286 PolarHBondContact O-N 3.38Å; E283-Y287 HydrophobicContact CG-CD2 4.4Å; E283-Y287 PolarHBondContact O-N 3.4Å
284I74.5Confident71.3Confident57 Ų5797 Ų9729%0.29246%0.462SS..Hα-helixtrans-60.2-47.5171.4-67168.4000110.3I280 L281 R286 Y287 C288I280-I284 HydrophobicContact CG2-CD1 3.84Å; I280-I284 HydrophobicContact CG2-CG1 4.47Å; I280-I284 WeakPolarHBondContact O-CG1 3.2Å; I280-I284 PolarHBondContact O-N 3.41Å; L281-I284 PolarHBondContact O-N 3.49Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 3.45Å; I284-Y287 PolarHBondContact O-N 3.34Å; I284-C288 PolarHBondContact O-N 3.03Å; I284-C288 PolarHBondContact O-SG 2.88Å; I284-C288 VanDerWaalsContact O-SG 3.36Å
285C74.2Confident69.6Low39 Ų3996.7 Ų96.726%0.26447%0.472SS..Hα-helixtrans-60.5-42.5176.5-74.50000112.1L281 R282 C288 Q289L281-C285 WeakPolarHBondContact O-CB 2.89Å; L281-C285 PolarHBondContact O-N 3.22Å; L281-C285 PolarHBondContact O-SG 2.76Å; L281-C285 VanDerWaalsContact O-SG 3.33Å; R282-C285 PolarHBondContact O-N 3.33Å; C285-C288 PolarHBondContact O-N 3.21Å; C285-Q289 WeakPolarHBondContact O-CG 2.99Å; C285-Q289 PolarHBondContact O-N 2.9Å
286R75.1Confident67.7Low134 Ų13496.8 Ų96.851%0.50648%0.48SS..Hα-helixtrans-61.6-43.5176.5-173.4-172.7178.7175.92.4111.3R282 E283 I284 Q289 Q290R282-R286 WeakPolarHBondContact O-CB 3.48Å; R282-R286 PolarHBondContact O-N 3.4Å; E283-R286 PolarHBondContact O-N 3.38Å; I284-R286 VanDerWaalsContact C-N 3.34Å; I284-R286 PolarHBondContact O-N 3.45Å; R286-Q289 PolarHBondContact O-N 3.32Å; R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 WeakPolarHBondContact O-CG 3.23Å; R286-Q290 PolarHBondContact O-N 3.33Å
287Y68.5Low65.8Low131 Ų13199 Ų9951%0.51450%0.5SS..Hα-helixtrans-61.8-45.2174.7-104-84.4000111.8E283 I284 Q289 Q290 W291E283-Y287 HydrophobicContact CG-CD2 4.4Å; E283-Y287 PolarHBondContact O-N 3.4Å; I284-Y287 PolarHBondContact O-N 3.34Å; Y287-Q289 VanDerWaalsContact C-N 3.29Å; Y287-Q289 PolarHBondContact O-N 3.46Å; Y287-Q290 PolarHBondContact O-N 3.44Å; Y287-W291 AromaticContact CD1-CD1 3.83Å; Y287-W291 AromaticContact CD1-NE1 3.83Å; Y287-W291 WeakPolarHBondContact O-CB 3.45Å; Y287-W291 PolarHBondContact O-N 3.22Å
288C70.7Confident64Low79 Ų79105 Ų10553%0.53454%0.539SS..Hα-helixtrans-61.1-37.2176-69.90000112.5I284 C285I284-C288 PolarHBondContact O-N 3.03Å; I284-C288 PolarHBondContact O-SG 2.88Å; I284-C288 VanDerWaalsContact O-SG 3.36Å; C285-C288 PolarHBondContact O-N 3.21Å
289Q74.3Confident62.2Low150 Ų150104.8 Ų104.870%0.70156%0.555SS**Hα-helixtrans-70.9-44.8176.1-73.2175.42.500112.3C285 R286 Y287 W291 N292C285-Q289 WeakPolarHBondContact O-CG 2.99Å; C285-Q289 PolarHBondContact O-N 2.9Å; R286-Q289 PolarHBondContact O-N 3.32Å; Y287-Q289 VanDerWaalsContact C-N 3.29Å; Y287-Q289 PolarHBondContact O-N 3.46Å; Q289-W291 VanDerWaalsContact C-N 3.25Å; Q289-W291 PolarHBondContact O-N 3.15Å; Q289-N292 PolarHBondContact O-N 3Å
290Q72.6Confident60.2Low117 Ų117108.4 Ų108.455%0.54757%0.572SS.*Hα-helixtrans-61.6-35.8179.1-81.1-175.4-13.500112.3R286 Y287 N292R286-Q290 WeakPolarHBondContact O-CB 3.42Å; R286-Q290 WeakPolarHBondContact O-CG 3.23Å; R286-Q290 PolarHBondContact O-N 3.33Å; Y287-Q290 PolarHBondContact O-N 3.44Å; Q290-N292 VanDerWaalsContact C-N 3.31Å; Q290-N292 PolarHBondContact O-N 3.11Å
291W61.6Low58.2Low173 Ų173114.5 Ų114.566%0.65560%0.599SS**THydrogen-bonded Turntrans-80.5-7.2-174.9-85.987.2000114.5Y287 Q289 V293Y287-W291 AromaticContact CD1-CD1 3.83Å; Y287-W291 AromaticContact CD1-NE1 3.83Å; Y287-W291 WeakPolarHBondContact O-CB 3.45Å; Y287-W291 PolarHBondContact O-N 3.22Å; Q289-W291 VanDerWaalsContact C-N 3.25Å; Q289-W291 PolarHBondContact O-N 3.15Å; W291-V293 HydrophobicContact CB-CG2 3.86Å; W291-V293 WeakPolarHBondContact O-CG2 3.22Å; W291-V293 PolarHBondContact O-N 3.34Å
292N51.3Low56.3Low102 Ų102119.7 Ų119.755%0.54563%0.626SS.*THydrogen-bonded Turntrans41.132.5179.6-155.833.9000113Q289 Q290 L294Q289-N292 PolarHBondContact O-N 3Å; Q290-N292 VanDerWaalsContact C-N 3.31Å; Q290-N292 PolarHBondContact O-N 3.11Å; N292-L294 PolarHBondContact O-N 3.46Å; N292-L294 PolarHBondContact OD1-O 3.17Å
293V53Low54.4Low120 Ų120118.5 Ų118.573%0.72763%0.634SS**  trans-76.2-5.1-178166.90000110.3W291W291-V293 HydrophobicContact CB-CG2 3.86Å; W291-V293 WeakPolarHBondContact O-CG2 3.22Å; W291-V293 PolarHBondContact O-N 3.34Å
294L47Very low52.3Low142 Ų142119.8 Ų119.874%0.74365%0.653SS**SBendtrans-93.5102.8160.1-76.6153.4000107.4N292 T296N292-L294 PolarHBondContact O-N 3.46Å; N292-L294 PolarHBondContact OD1-O 3.17Å; L294-T296 PolarHBondContact O-N 3.33Å
295G39.2Very low50.4Low57 Ų57122.1 Ų122.159%0.58867%0.67SS**  trans-37.2131.6-174.800000114.2L297G295-L297 PolarHBondContact O-N 3.25Å
296T38.4Very low48.2Very low113 Ų113124.6 Ų124.669%0.69369%0.692SS**  trans-23.5102.7161.4500000113.9L294L294-T296 PolarHBondContact O-N 3.33Å
297L39Very low46.2Very low160 Ų160125.4 Ų125.484%0.83870%0.697SS**  trans-97.9110.3143.5-86.7107.6000107.5G295 G299G295-L297 PolarHBondContact O-N 3.25Å; L297-G299 PolarHBondContact O-N 2.9Å
298P39.3Very low44.5Very low131 Ų131124.7 Ų124.785%0.85171%0.711SS**THydrogen-bonded Turntrans-71116.7168.328.7-28.3000108
299G37.7Very low42.5Very low75 Ų75129.5 Ų129.577%0.77373%0.726SS**THydrogen-bonded Turntrans136.42.6162.100000119.2L297L297-G299 PolarHBondContact O-N 2.9Å
300Q38.8Very low40.7Very low172 Ų172127.8 Ų127.880%0.80473%0.727SS**  trans-114.9103.6173.2-75.9-110.4-35.500110.6I302Q300-I302 PolarHBondContact O-N 3.17Å; Q300-I302 VanDerWaalsContact O-N 3.12Å
301Q35.3Very low38.8Very low187 Ų187126.8 Ų126.887%0.87474%0.739SS**  trans-60.5108.1159.8-79.7-177.1-46.800107.8T303Q301-T303 PolarHBondContact O-N 3.12Å
302I37.8Very low37.4Very low147 Ų147125 Ų12575%0.75475%0.748SS**  trans-81.1100167.8-54.7177.3000106.5Q300Q300-I302 PolarHBondContact O-N 3.17Å; Q300-I302 VanDerWaalsContact O-N 3.12Å
303T38.2Very low36.5Very low116 Ų116129.2 Ų129.271%0.71277%0.766SS**  trans-62.2127.8168.233.90000110.4Q301Q301-T303 PolarHBondContact O-N 3.12Å
304S32.7Very low35.5Very low113 Ų113131.7 Ų131.779%0.7977%0.77SS**  trans7.2111162.657.50000117.3A306S304-A306 PolarHBondContact O-N 2.93Å
305V32.9Very low34.8Very low107 Ų107130.9 Ų130.965%0.64877%0.766SS**  trans-72109.5166.6-169.30000108.6
306A29.3Very low34.6Very low90 Ų90133 Ų13374%0.74477%0.77SS**PPolyproline II helixtrans-75119.7165.500000108.6S304S304-A306 PolarHBondContact O-N 2.93Å
307Y32.3Very low34.4Very low151 Ų151136.6 Ų136.659%0.59278%0.776SS**PPolyproline II helixtrans-80.9117.4172.3-82.2-89.7000109.7
308S33.7Very low34.2Very low117 Ų117137.5 Ų137.582%0.81878%0.776SS**PPolyproline II helixtrans-63.3128.5164.3-26.40000109
309Q29.2Very low34Very low180 Ų180139.6 Ų139.684%0.84177%0.774SS**PPolyproline II helixtrans-59.8148.4172.8-77.5176.7-29.300111.1A311Q309-A311 PolarHBondContact O-N 3.37Å
310P35.2Very low33.9Very low113 Ų113144.1 Ų144.173%0.73478%0.775SS**PPolyproline II helixtrans-65.1132174.526.3-31.2000109.9T312P310-T312 PolarHBondContact O-N 2.89Å
311A33.3Very low33.5Very low97 Ų97144.8 Ų144.880%0.80278%0.779SS**PPolyproline II helixtrans-58.5120.5166.800000108.7Q309 M313Q309-A311 PolarHBondContact O-N 3.37Å; A311-M313 PolarHBondContact O-N 2.94Å; A311-M313 VanDerWaalsContact O-N 3.09Å
312T32.5Very low33.5Very low136 Ų136141.3 Ų141.383%0.83477%0.77SS**  trans-54.2112.3165.534.70000108.8P310 H314P310-T312 PolarHBondContact O-N 2.89Å; T312-H314 PolarHBondContact O-N 3.31Å; T312-H314 VanDerWaalsContact O-N 3.12Å
313M30.8Very low33.2Very low189 Ų189142 Ų14293%0.93178%0.775SS**  trans-64.5113.7163.6-88.3-158.5-75.900108.1A311 N315A311-M313 PolarHBondContact O-N 2.94Å; A311-M313 VanDerWaalsContact O-N 3.09Å; M313-N315 PolarHBondContact O-N 3.03Å
314H32.9Very low33.3Very low172 Ų172143.1 Ų143.180%0.79678%0.775SS**  trans-65123.2173.1-166.480.1000108.7T312 P316T312-H314 PolarHBondContact O-N 3.31Å; T312-H314 VanDerWaalsContact O-N 3.12Å; H314-P316 WeakPolarHBondContact O-CD 3.27Å
315N33.1Very low33.5Very low126 Ų126142.4 Ų142.467%0.67478%0.776SS**  trans-92.7110.5173.9-173.410000109M313 F317M313-N315 PolarHBondContact O-N 3.03Å; N315-F317 VanDerWaalsContact C-N 3.28Å; N315-F317 PolarHBondContact O-N 3.38Å; N315-F317 VanDerWaalsContact O-N 3.1Å
316P34Very low33.8Very low102 Ų102140.7 Ų140.766%0.66278%0.78SS**  trans-84.971.7173.635.2-32.6000110H314H314-P316 WeakPolarHBondContact O-CD 3.27Å
317F34.4Very low34.2Very low188 Ų188139.9 Ų139.983%0.82578%0.78SS**  trans-139.162.6157.9-93.3-81.7000108.7N315N315-F317 VanDerWaalsContact C-N 3.28Å; N315-F317 PolarHBondContact O-N 3.38Å; N315-F317 VanDerWaalsContact O-N 3.1Å
318Q34.9Very low34.3Very low178 Ų178141.4 Ų141.483%0.83279%0.793SS**  trans-114.8104.7152.2-84.3-154.2-10.500107.3
319Q35.5Very low34.7Very low175 Ų175143.5 Ų143.582%0.81879%0.79SS**  trans-106.1123160.1-88.1-174.40.200108.9
320Q34.3Very low35.3Very low170 Ų170140.4 Ų140.479%0.79478%0.783SS**  trans68.185.2155.1-71.7171.8-1200117.9
321Q31.7Very low35.7Very low187 Ų187140.7 Ų140.787%0.87478%0.782SS**  trans-73.8120.8134.7-80.2178.1-17.200108.5
322V34.1Very low36.1Very low113 Ų113143.9 Ų143.969%0.68579%0.785SS**  trans-119.5108.6153.8-1790000106.1I324V322-I324 HydrophobicContact CG1-CD1 4.16Å; V322-I324 HydrophobicContact CG1-CG1 4.03Å
323N32Very low36.4Very low161 Ų161143.4 Ų143.486%0.86178%0.784SS**  trans-120100161.9-161.410.6000105.3
324I40Very low36.9Very low140 Ų140137.7 Ų137.772%0.71877%0.773SS**  trans-122.6107.6172.4-62.2178.3000106.8V322V322-I324 HydrophobicContact CG1-CD1 4.16Å; V322-I324 HydrophobicContact CG1-CG1 4.03Å
325A38.6Very low37.1Very low98 Ų98137.5 Ų137.581%0.8177%0.773SS**  trans-71.8132.6157.200000108.5
326G38.5Very low37.4Very low71 Ų71138.9 Ų138.973%0.73278%0.775SS**  trans129.797.6163.700000115.2
327G37.2Very low37.6Very low73 Ų73141.3 Ų141.375%0.75378%0.783SS**  trans62.194.7133.500000120
328Q35.3Very low37.7Very low183 Ų183141.7 Ų141.786%0.85579%0.787SS**  48.9105.4118.2-85.7-171.7-4.500119.9
329H40.6Very low37.7Very low162 Ų162136.4 Ų136.475%0.7578%0.78SS**  169.7117.2105.4-112.9-125.6000110
330V43.6Very low37.8Very low115 Ų115134 Ų13470%0.69778%0.783SS**  68.9109.8103.2-175.60000111.4
331V41.8Very low37.7Very low119 Ų119134.4 Ų134.472%0.72178%0.784SS**  -177.3131.777.1169.50000111.2
332L43.5Very low38.1Very low163 Ų163131.6 Ų131.685%0.85378%0.782SS**  trans45146.5152.2-78.490.5000127.1
333P37.4Very low38.1Very low126 Ų126133 Ų13382%0.81879%0.785SS**  trans-113.7170.3-171.442.1-27.6000115.4
334G41.1Very low37.8Very low69 Ų69134.7 Ų134.771%0.71179%0.791SS**  trans173.5111.7160.200000115.9
335Q37.7Very low37.6Very low169 Ų169133.3 Ų133.379%0.7979%0.789SS**  trans58.5139.2153.3-69.9-174.2-74.200119.4
336Q39.5Very low37.1Very low154 Ų154136.2 Ų136.272%0.7279%0.791SS**  cis-163.8139.911.8-128.5168.2-16.300110.5
337D38.8Very low36.7Very low153 Ų153139 Ų13982%0.81879%0.793SS**  trans42.8107.6152.9-85.1-45.9000123.5
338H36.4Very low36.3Very low196 Ų196142 Ų14291%0.90779%0.792SS**  trans-97.7143.8149.7-88.1-87.6000109.4
339G33.9Very low36.1Very low67 Ų67140 Ų14069%0.69179%0.785SS**  trans152.5108.2148.300000115.2
340S38.6Very low35.6Very low126 Ų126141.3 Ų141.388%0.88179%0.789SS**  145.8125.6114.5-630000111.8
341Q31.8Very low35Very low177 Ų177141.4 Ų141.483%0.82779%0.79SS**  trans-61.7149.6171.8-66.9170.5-36.300111.7L343Q341-L343 PolarHBondContact O-N 2.7Å
342P39.5Very low34.5Very low128 Ų128141.1 Ų141.183%0.83179%0.79SS**  trans-82.5108.8162.830.3-27.5000110.4
343L33.9Very low33.9Very low142 Ų142141.4 Ų141.474%0.74379%0.792SS**  trans-67.3122155.9-131.382.7000107.5Q341 T345Q341-L343 PolarHBondContact O-N 2.7Å; L343-T345 HydrophobicContact CD2-CG2 4.22Å; L343-T345 PolarHBondContact O-N 3.13Å; L343-T345 VanDerWaalsContact O-N 3.15Å
344M27.3Very low33.8Very low198 Ų198143.4 Ų143.498%0.97580%0.795SS**  trans-78.196.3166.3-81.4-173.5174.800108.7
345T34.4Very low33.5Very low110 Ų110146 Ų14668%0.67580%0.799SS**  trans-86.1145.9169.842.20000111.7L343L343-T345 HydrophobicContact CD2-CG2 4.22Å; L343-T345 PolarHBondContact O-N 3.13Å; L343-T345 VanDerWaalsContact O-N 3.15Å
346N29Very low33.4Very low160 Ų160144 Ų14486%0.85680%0.804SS**  trans-17.7130.1164.3-102.7-37.4000116.1D348N346-D348 PolarHBondContact O-N 3.07Å
347V30.5Very low33.3Very low129 Ų129142.2 Ų142.278%0.78281%0.808SS**  trans-81.6107.3161.2-178.30000107.5I349V347-I349 HydrophobicContact CG1-CD1 4.47Å; V347-I349 HydrophobicContact CG1-CG1 4.04Å
348D27.6Very low33.1Very low137 Ų137139 Ų13973%0.73381%0.812SS**  trans-95.9116.6171.4-164.4-9.5000108.1N346N346-D348 PolarHBondContact O-N 3.07Å
349I31.2Very low33.1Very low139 Ų139133 Ų13371%0.71380%0.803SS**  trans-103.9103.4175.3-59.3178.4000108V347V347-I349 HydrophobicContact CG1-CD1 4.47Å; V347-I349 HydrophobicContact CG1-CG1 4.04Å
350K29.4Very low33.2Very low190 Ų190138.1 Ų138.183%0.82681%0.812SS**  trans-85.1114.9174.8-130.8163.7-175.5170.50109.5
351V32Very low33.1Very low117 Ų117137.5 Ų137.571%0.70981%0.805SS**PPolyproline II helixtrans-98.9131.3165.6-177.70000108.4
352P30.9Very low33.5Very low113 Ų113135.9 Ų135.973%0.73481%0.807SS**PPolyproline II helixtrans-78.5126.3-179.518.8-10.6000111.3
353L31.6Very low33.2Very low170 Ų170134.2 Ų134.289%0.8980%0.798SS**PPolyproline II helixtrans-90.1124.7162.5-72.4169.7000109
354L35.1Very low33.3Very low167 Ų167135.9 Ų135.987%0.87480%0.802SS**PPolyproline II helixtrans-70.7143.3165.2-82.597.6000110.2
355P34.2Very low33.5Very low125 Ų125130 Ų13081%0.81279%0.786SS**PPolyproline II helixtrans-91134.4170.734.3-27.6000110.5
356S34.9Very low33.6Very low126 Ų126132.6 Ų132.688%0.88180%0.795SS**  trans-122.2118.8160.3-176.80000109.3
357S37.4Very low33.9Very low117 Ų117129.8 Ų129.882%0.81879%0.794SS**  trans-88153.9-176.446.40000113.5
358G36.4Very low34.1Very low86 Ų86131.5 Ų131.589%0.88780%0.798SS**  trans107.1132.9159.900000113.5
359G35.2Very low34.7Very low70 Ų70129.8 Ų129.872%0.72279%0.794SS**  cis157116.94.600000109.7
360I37.2Very low34.9Very low174 Ų174131.1 Ų131.189%0.89280%0.803SS**  trans75.3138.4146-48-170.5000120.2
361P35Very low35.1Very low112 Ų112127.1 Ų127.173%0.72779%0.794SS**  trans-110.3169.4-163.340.4-27000114.5
362V40.1Very low35.4Very low143 Ų143131 Ų13187%0.86780%0.804SS**  trans-144.6138.4165.1-159.20000112.2
363S35.1Very low35.4Very low93 Ų93134 Ų13465%0.6581%0.809SS**  trans-50173174.854.70000116.8
364Q34.6Very low35.5Very low177 Ų177132.5 Ų132.583%0.82780%0.802SS**  cis-179.5149.834.8-142.1170-400110.8
365A32.5Very low35.2Very low76 Ų76129.3 Ų129.363%0.62879%0.791SS**  trans72.9125.1137.500000126.1
366N35.7Very low35.1Very low164 Ų164134.3 Ų134.388%0.87779%0.794SS**  trans81.8136.1135.4-651.5000119.4
367A36.2Very low35Very low100 Ų100134.8 Ų134.883%0.82679%0.792SS**  cis-156.2155.613.500000112.9
368L33.8Very low34.5Very low166 Ų166135.6 Ų135.687%0.86979%0.792SS**  trans-76.6-172.1173.8-85.1130.2000113.5
369P41.1Very low34.3Very low100 Ų100140.4 Ų140.465%0.64979%0.791SS**  cis-136.1175.7-37.230.7-12.3000113.3
370N35.6Very low34.1Very low168 Ų168142.4 Ų142.490%0.89879%0.789SS**  trans-143.9130.6141.8-144.60.8000111.9
371V33.3Very low33.9Very low106 Ų106139.9 Ų139.964%0.64278%0.784SS**  trans-101.5138.5-172.6168.70000109.1E373V371-E373 HydrophobicContact CG1-CG 3.95Å
372Q37.8Very low33.7Very low197 Ų197142.8 Ų142.892%0.92179%0.792SS**  trans-145.8118.4149.8-165.3161.9-11.200109.8
373E31Very low33.3Very low176 Ų176139.5 Ų139.582%0.82279%0.787SS**  trans-77.9152.4-170.4-61.5173.414800113.4V371V371-E373 HydrophobicContact CG1-CG 3.95Å
374N33Very low33.2Very low139 Ų139146.3 Ų146.374%0.74380%0.799SS**  trans-142.9131.6154.4-166.220.9000109.4
375P29.6Very low33.2Very low101 Ų101143.9 Ų143.966%0.65679%0.792SS**  trans-108.382.9-160.537.1-25000112.7
376W31.8Very low33.1Very low229 Ų229144.1 Ų144.187%0.86780%0.802SS**  trans-150.820.9173.9-69.8102.2000116.5
377T32.2Very low33.2Very low136 Ų136141.8 Ų141.883%0.83479%0.793SS**  trans-103.998.7178.526.10000112.3Q379T377-Q379 PolarHBondContact O-N 3.34Å
378V27.8Very low33.1Very low135 Ų135142.6 Ų142.682%0.81879%0.788SS**  trans-76.2105.6161.3177.40000107.6V380V378-V380 HydrophobicContact CG1-CG2 4.23Å
379Q32Very low32.9Very low187 Ų187139.3 Ų139.387%0.87479%0.785SS**  trans-77.7116167.1-83.3180-39.700109.3T377T377-Q379 PolarHBondContact O-N 3.34Å
380V31.9Very low32.5Very low112 Ų112143 Ų14368%0.67979%0.793SS**  trans-97.4127.1164.9-175.20000107.7V378 L382V378-V380 HydrophobicContact CG1-CG2 4.23Å; V380-L382 PolarHBondContact O-N 2.9Å
381P31.6Very low32.4Very low121 Ų121142.1 Ų142.179%0.78679%0.788SS**  trans-74.6112.4-179.727.8-29.6000110.2G383P381-G383 PolarHBondContact O-N 3.24Å
382L31.6Very low32.5Very low173 Ų173142.9 Ų142.991%0.90679%0.788SS**  trans-85.384.2165.3-71.9172.4000108.8V380V380-L382 PolarHBondContact O-N 2.9Å
383G31.8Very low32.4Very low74 Ų74138.3 Ų138.376%0.76378%0.778SS**  trans-105.5102.3153.500000107.4P381P381-G383 PolarHBondContact O-N 3.24Å
384W33.4Very low32.6Very low236 Ų236136.2 Ų136.289%0.89477%0.772SS**  trans-142.6113.1163.6-152.4-4000109.7
385D34.3Very low32.6Very low126 Ų126134.5 Ų134.567%0.67478%0.778SS**  trans-82.1121.1170.258-19.7000109.3T387D385-T387 PolarHBondContact O-N 3.24Å
386G30Very low33Very low81 Ų81138.8 Ų138.884%0.83579%0.789SS**  trans-68.197.5-177.200000111.8
387T36.7Very low33Very low114 Ų114131.6 Ų131.670%0.69978%0.779SS**  trans-149.9147.9155.338.30000111.7D385D385-T387 PolarHBondContact O-N 3.24Å
388V34.5Very low33Very low118 Ų118133.7 Ų133.772%0.71578%0.784SS**  trans96.793.8166.5-160.60000116.5Q390V388-Q390 HydrophobicContact CG1-CB 4.31Å; V388-Q390 PolarHBondContact O-N 2.96Å
389A30.3Very low33.1Very low97 Ų97131.7 Ų131.780%0.80278%0.776SS**  trans-58.7105.2145.600000109.2
390Q31.8Very low33Very low176 Ų176130.5 Ų130.582%0.82278%0.775SS**  trans161.677.5158.4-95166-10.900108.7V388V388-Q390 HydrophobicContact CG1-CB 4.31Å; V388-Q390 PolarHBondContact O-N 2.96Å
391D33.2Very low33.1Very low150 Ų150132.7 Ų132.780%0.80278%0.781SS**  trans-152.587.1148.4-117.8-19.6000107.7
392L35.3Very low33.2Very low122 Ų122135 Ų13564%0.63978%0.781SS**  73.887.481.1-157.475.5000111.1N394L392-N394 PolarHBondContact O-N 2.86Å
393S37.5Very low33.2Very low102 Ų102136 Ų13671%0.71378%0.781SS**SBend44.717.5128.951.50000121.5
394N35.3Very low33.5Very low131 Ų131138.7 Ų138.770%0.70178%0.783SS**  trans-116.97.5-176.4-76.6-19.8000114.9L392 Q396L392-N394 PolarHBondContact O-N 2.86Å; N394-Q396 PolarHBondContact O-N 3.36Å
395A33Very low33.5Very low104 Ų104134 Ų13486%0.8678%0.775SS**THydrogen-bonded Turntrans-887.5178.900000114.8A397A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 3.25Å
396Q37.8Very low33.6Very low190 Ų190133.4 Ų133.489%0.88878%0.778SS**THydrogen-bonded Turntrans-84.813.8176-73.4-163.4-44.800114.5N394N394-Q396 PolarHBondContact O-N 3.36Å
397A31.7Very low34Very low79 Ų79135.7 Ų135.765%0.65378%0.776SS**  trans-12653.1-175.800000113.2A395A395-A397 VanDerWaalsContact C-N 3.28Å; A395-A397 PolarHBondContact O-N 3.25Å
398L31.7Very low33.9Very low180 Ų180134.6 Ų134.694%0.94277%0.773SS**  trans-135.264.6158.1-98.8105000109.5
399S30.8Very low33.9Very low92 Ų92136.2 Ų136.264%0.64378%0.777SS**  trans-127.5137.4157.246.60000105.7
400L28.7Very low34.2Very low163 Ų163137.7 Ų137.785%0.85378%0.775SS**  trans94.5142.5-167.7-73.878.5000115.4
401I33.6Very low34.1Very low157 Ų157137.7 Ų137.781%0.80578%0.775SS**  trans89.5104.3-171.4-48.1162.3000110.1
402Q33.6Very low34.5Very low171 Ų171135.2 Ų135.280%0.79977%0.767SS**  cis-164.3120.221.1-128.7163.8-22.700109.5
403E31.3Very low34.5Very low194 Ų194137 Ų13791%0.90778%0.776SS**  trans-82.5133.1156.5-87.1-174.7136.700109
404T39.8Very low34.4Very low129 Ų129136.2 Ų136.279%0.79178%0.776SS**  trans-174.4131.4155.929.50000106.1
405N33.2Very low34.2Very low138 Ų138137.3 Ų137.374%0.73878%0.782SS**  cis-174.2140.52.3-179.8-7.9000106.1
406P36.4Very low34.2Very low114 Ų114141.9 Ų141.974%0.7478%0.783SS**  trans-106.7138.7-177.936.4-27.3000113.7
407V38.1Very low34Very low128 Ų128141.6 Ų141.678%0.77678%0.779SS**  trans-146.6112.3168.9-178.80000113.2
408S33.4Very low34.2Very low91 Ų91145.5 Ų145.564%0.63679%0.789SS**  trans57.4121.9134.7-158.60000121.5
409L34.8Very low34.4Very low153 Ų153146.1 Ų146.180%0.80179%0.787SS**  -175115.999.7-109.6102.4000112.6
410V37.2Very low34.7Very low127 Ų127146.4 Ų146.477%0.7779%0.794SS**  trans72.6105.2132.6-171.50000121.1
411H30.7Very low35Very low176 Ų176147.3 Ų147.382%0.81579%0.792SS**  trans-75.6-169.8155.2-102.988.6000111.6
412P40.1Very low35Very low99 Ų99144.7 Ų144.764%0.64378%0.783SS**  cis-140.9176.2-12.521.84.6000114.3
413L35.8Very low35.4Very low158 Ų158143.7 Ų143.783%0.82778%0.783SS**  156129.5121-110.775.3000115.1
414A35.8Very low35.7Very low86 Ų86141.4 Ų141.471%0.71178%0.777SS**  trans74.182.4134.800000122.4
415N30.2Very low35.8Very low154 Ų154140.1 Ų140.182%0.82477%0.771SS**  24.2112.3108.9-148.2-3.1000119.9
416F32.7Very low36.1Very low200 Ų200139.6 Ų139.688%0.87777%0.773SS**  trans178.4132.3145.9-93-73.3000104.1
417K34.5Very low36Very low185 Ų185137.6 Ų137.680%0.80477%0.773SS**  -179.7119.450.3-154.8169.2-176.4176.90107.4
418N35.3Very low36Very low161 Ų161137.6 Ų137.686%0.86177%0.773SS**  trans-101.3121.2153.2-98.4-28.5000105.6
419Q36.1Very low36.4Very low193 Ų193140.3 Ų140.390%0.90279%0.786SS**  trans171.7130131.4-93.9173.315.100110.4
420A36.6Very low36.6Very low97 Ų97139.8 Ų139.880%0.80278%0.783SS**  trans-84.4160.1-179.500000112
421K34.9Very low36.8Very low183 Ų183141.1 Ų141.180%0.79679%0.786SS**  trans94.1130.8136.3-139.1-177.6179.4-179.50118.5
422T34.3Very low37.4Very low101 Ų101141 Ų14162%0.6279%0.786SS**  trans69.6107.7147.931.70000117.5
423D41.4Very low37.6Very low151 Ų151146 Ų14681%0.80780%0.801SS**  175.4132.591-79.8-37000110.2
424D37.6Very low37.9Very low145 Ų145143.1 Ų143.178%0.77580%0.8SS**  trans-80.4142.3166.2-174.316.2000108.4T426D424-T426 PolarHBondContact OD1-N 3.37Å; D424-T426 VanDerWaalsContact OD1-N 3.08Å
425P42.1Very low38.2Very low103 Ų103146.4 Ų146.467%0.66981%0.811SS**  -145.6133.3112.733.2-15.6000114.6
426T39.2Very low38.7Very low126 Ų126142.1 Ų142.177%0.77380%0.803SS**  trans31.2120.5135.457.10000118.6D424D424-T426 PolarHBondContact OD1-N 3.37Å; D424-T426 VanDerWaalsContact OD1-N 3.08Å
427G35.7Very low39.3Very low72 Ų72137.7 Ų137.774%0.74280%0.804SS**  trans166.489.1153.700000117.8
428V36.9Very low39.7Very low129 Ų129132.7 Ų132.778%0.78280%0.797SS**  trans55.2114.1134.6-169.90000119
429V41.7Very low40Very low148 Ų148131.7 Ų131.790%0.89779%0.79SS**  -152.6122.7116.9-166.80000110.4
430D39.8Very low40.5Very low141 Ų141132.1 Ų132.175%0.75479%0.789SS**  trans-61151.9176.4-82.3-69.5000116
431N42.4Very low41.4Very low156 Ų156135.9 Ų135.983%0.83482%0.82SS**  trans-137.399.8151.8-130.2-4.8000110.5
432Q42.1Very low41.7Very low173 Ų173133.5 Ų133.581%0.80882%0.821SS**  trans32.8114.1151.7-59.7-156.5-22.600120.6
433Q45.2Very low42.1Very low203 Ų203135.2 Ų135.295%0.94983%0.832SS**  -164.2127.8115.4-110.3178.7-6.800111.5
434A40.7Very low42.1Very low98 Ų98134.3 Ų134.381%0.8183%0.833SS**  trans-102.1133.9-171.900000112.3
435V43.3Very low42.4Very low155 Ų155133.7 Ų133.794%0.93984%0.837SS**  trans-168.6129.5143.9-172.70000104.2
436G40.8Very low42.4Very low64 Ų64135.6 Ų135.666%0.6685%0.847SS**  cis149.7132.81100000107
437A44.8Very low42.6Very low108 Ų108136.3 Ų136.389%0.89385%0.852SS**  trans68.1148.6165.200000118.2
438A43.8Very low43.1Very low80 Ų80140.9 Ų140.966%0.66186%0.86SS**  cis-176.2136.3-13.500000107
439I40.7Very low43.6Very low139 Ų139141.8 Ų141.871%0.71387%0.866SS**  trans54.3118138.5-47.2168.1000119.1
440F47.6Very low43.7Very low202 Ų202141.3 Ų141.389%0.88686%0.863SS**  172.7142.7111.6-100.9-76.8000111.8
441A53.4Low44.1Very low176 Ų176141.3 Ų141.3100%1.45587%0.873SS**  trans890-178.900000116.6

Retrieved 441 of 441 residues in 261.6 ms (Link to these results)