A0A087XZG4_POEFO Loading...

Calcium uniporter regulatory subunit MCUb

AlphaFold DB , UniProt , Accession A0A087XZG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 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
1M34Very low31.5Very low244 Ų244155.5 Ų155.5100%1.20284%0.844SS**  095.80-132.2159.316200107.2M3M1-M3 PolarHBondContact O-N 2.88Å
2K30.8Very low31.4Very low216 Ų216153.1 Ų153.194%0.93984%0.837SS**PPolyproline II helixtrans-73.4117.4-176.8-75.5174.7173.9176.60107.9A4K2-A4 PolarHBondContact O-N 3.3Å
3M30.4Very low31.3Very low180 Ų180146.8 Ų146.889%0.88783%0.83SS**PPolyproline II helixtrans-72.3124.9173.3-70.5-149.9-164.700108.8M1 S5M1-M3 PolarHBondContact O-N 2.88Å; M3-S5 PolarHBondContact O-N 3.4Å
4A30.6Very low31.3Very low96 Ų96145.6 Ų145.679%0.79383%0.827SS**PPolyproline II helixtrans-61.5121172.400000109.2K2 V6K2-A4 PolarHBondContact O-N 3.3Å; A4-V6 PolarHBondContact O-N 3.3Å
5S28.3Very low31.5Very low112 Ų112141.1 Ų141.178%0.78383%0.826SS**  trans-70.6104.7175.9-176.90000108.8M3 R7M3-S5 PolarHBondContact O-N 3.4Å; S5-R7 PolarHBondContact O-N 2.82Å
6V33.9Very low31.4Very low87 Ų87143 Ų14353%0.52783%0.83SS.*  trans-66.8112166.61750000107.4A4 M8A4-V6 PolarHBondContact O-N 3.3Å; V6-M8 PolarHBondContact O-N 3.42Å
7R32.5Very low31.5Very low236 Ų236149.8 Ų149.889%0.89184%0.839SS**  trans-69.5106.9170.5-87.4-179.3174.7178.2-1.6108.4S5 A9S5-R7 PolarHBondContact O-N 2.82Å; R7-A9 PolarHBondContact O-N 2.82Å
8M32.2Very low31.3Very low155 Ų155154.8 Ų154.876%0.76484%0.843SS**  trans-80.994.6163.1-70.7-82.2-107.100107.3V6 A10V6-M8 PolarHBondContact O-N 3.42Å; M8-A10 PolarHBondContact O-N 3.1Å
9A31.5Very low31.3Very low99 Ų99152.6 Ų152.682%0.81884%0.84SS**  trans-76.1103.6165.400000107.9R7R7-A9 PolarHBondContact O-N 2.82Å
10A29.7Very low31.3Very low95 Ų95154.1 Ų154.179%0.78585%0.846SS**  trans-80.3113.816700000108.3M8M8-A10 PolarHBondContact O-N 3.1Å
11E32.7Very low31.3Very low191 Ų191154.9 Ų154.989%0.89384%0.843SS**  trans-61.8129.4162.8-85.1-174.1119.300110
12V31Very low31Very low126 Ų126153.3 Ų153.376%0.76482%0.824SS**  trans-123.399151.3174.80000106.4T14V12-T14 HydrophobicContact CG1-CG2 4.49Å
13G29.6Very low30.8Very low72 Ų72153.4 Ų153.474%0.74283%0.825SS**  trans-70.5126.4164.800000110
14T31.8Very low30.7Very low129 Ų129153.9 Ų153.979%0.79183%0.825SS**  trans-132.4128.5157.744.50000107.6V12V12-T14 HydrophobicContact CG1-CG2 4.49Å
15G33.2Very low30.5Very low78 Ų78153.1 Ų153.180%0.80483%0.826SS**  trans-70.2150.1-16100000114.7
16L31.1Very low30.5Very low172 Ų172151.1 Ų151.190%0.90182%0.824SS**  trans-131.575.9161.7-95.3159.5000107.5
17W32.2Very low30.4Very low259 Ų259157.4 Ų157.498%0.98184%0.844SS**  trans-112.393.7159.8-101.357.9000107.2
18R28.2Very low30.2Very low240 Ų240150.5 Ų150.591%0.90684%0.838SS**  trans174.495.6149.9-105.1179.9-170.5-179.34.3109.5
19S31.6Very low30.4Very low112 Ų112147.7 Ų147.778%0.78384%0.839SS**  175.3108.2128.158.90000107.3
20L31.7Very low30.4Very low183 Ų183151.3 Ų151.396%0.95884%0.844SS**  trans-170.288149.2-101.4160.9000106.7
21Q30.9Very low30.6Very low170 Ų170157.7 Ų157.779%0.79485%0.848SS**  trans-136.2129.6159.3-139.5175.8-7.400108.9
22R28.1Very low30.8Very low211 Ų211154.6 Ų154.680%0.79684%0.844SS**  trans73.9101.3166.8-66.7177.7-1791501.1117.3
23F26.7Very low30.9Very low218 Ų218154.6 Ų154.696%0.95684%0.844SS**  -132.3112.9120.2-115.4-89.5000109.3
24Q28.1Very low31Very low190 Ų190156.5 Ų156.589%0.88885%0.846SS**  trans-89.9137.4166.7-114179.5-18.100107.4
25G26.4Very low31Very low80 Ų80155.7 Ų155.783%0.82584%0.841SS**  trans155.499.9173.700000106.3
26G28.3Very low30.8Very low71 Ų71159.5 Ų159.573%0.73284%0.842SS**  cis101.17646.800000106.7
27F31Very low30.7Very low218 Ų218159.2 Ų159.296%0.95684%0.836SS**  trans-140.8139.9162.4-102.8-82.3000111.9
28A29.4Very low30.6Very low91 Ų91155.4 Ų155.475%0.75283%0.826SS**  trans-58.4153.3-165.100000115.7
29A35.2Very low30.6Very low97 Ų97149.8 Ų149.880%0.80282%0.818SS**  trans-53.2134.3168.200000113.2
30L32.8Very low30.6Very low174 Ų174152 Ų15291%0.91182%0.816SS**  trans-128.5119.3155.4-79.8165.8000108.4
31R33.9Very low30.5Very low230 Ų230148.6 Ų148.687%0.86880%0.804SS**  trans-67.1145.8179-67.9175170.2176.6-3.7110.4V33R31-V33 PolarHBondContact O-N 3.09Å
32P35.1Very low30.4Very low125 Ų125151.8 Ų151.881%0.81281%0.809SS**  trans-74.3122.7168.729-29.9000109.8
33V33Very low30.5Very low126 Ų126150.2 Ų150.276%0.76481%0.81SS**  trans-84.3115170.3173.20000108.2R31 V35R31-V33 PolarHBondContact O-N 3.09Å; V33-V35 HydrophobicContact CG1-CG2 4.17Å; V33-V35 PolarHBondContact O-N 2.81Å
34S32Very low30.7Very low113 Ų113145.4 Ų145.479%0.7980%0.801SS**  trans-71.9106.9171.9-33.60000109.4L36S34-L36 PolarHBondContact O-N 2.82Å
35V31.7Very low30.8Very low112 Ų112141.3 Ų141.368%0.67979%0.793SS**  trans-94.695170-178.90000108.7V33 H37V33-V35 HydrophobicContact CG1-CG2 4.17Å; V33-V35 PolarHBondContact O-N 2.81Å; V35-H37 PolarHBondContact O-N 2.89Å
36L29.1Very low31.1Very low158 Ų158145.4 Ų145.483%0.82780%0.795SS**  trans-76.596.2169.9-165.497.5000108.5S34 K38S34-L36 PolarHBondContact O-N 2.82Å; L36-K38 PolarHBondContact O-N 3.3Å
37H30.6Very low31.1Very low166 Ų166151 Ų15177%0.76980%0.802SS**  trans-82.4101.5172.3-121.679.1000109.8V35 V39V35-H37 PolarHBondContact O-N 2.89Å; H37-V39 PolarHBondContact O-N 3.46Å
38K29.3Very low30.9Very low179 Ų179146.9 Ų146.978%0.77879%0.791SS**  trans-80.698173-165.1174.9-173.9177.30108.3L36 H40L36-K38 PolarHBondContact O-N 3.3Å; K38-H40 PolarHBondContact O-N 3.26Å
39V28.7Very low30.7Very low122 Ų122148.1 Ų148.174%0.73979%0.792SS**  trans-74.9118.3174.9176.60000109.2H37H37-V39 PolarHBondContact O-N 3.46Å
40H30.4Very low30.6Very low158 Ų158147.9 Ų147.973%0.73178%0.783SS**  trans-81.3121.1169.4-12177.2000108.8K38 R42K38-H40 PolarHBondContact O-N 3.26Å; H40-R42 PolarHBondContact O-N 2.85Å
41P30.6Very low30.6Very low111 Ų111144 Ų14472%0.72178%0.775SS**  trans-81.1108.8166.629.8-27.2000108.9
42R27.7Very low30.2Very low237 Ų237141.8 Ų141.889%0.89477%0.772SS**  trans-83.1113162-86.3-174.7176.5162.5-0.8108.4H40H40-R42 PolarHBondContact O-N 2.85Å
43H30.5Very low30.2Very low178 Ų178145.5 Ų145.582%0.82478%0.776SS**  trans-65.9145.4158.9-79.8-89.7000110.4
44P30.8Very low30Very low117 Ų117144.1 Ų144.176%0.7677%0.772SS**  trans-112.2126140.8613.8000111
45S30Very low30Very low104 Ų104144 Ų14473%0.72777%0.772SS**  trans-4.2127.7156510000119.9Q47S45-Q47 PolarHBondContact O-N 2.85Å
46L33.9Very low29.9Very low166 Ų166143.1 Ų143.187%0.86978%0.776SS**  trans-40.5123.9145.3-121.393000111
47Q26.8Very low30.2Very low188 Ų188141.6 Ų141.688%0.87978%0.776SS**  trans-129.2127158.4-168.3166.415.200109.1S45S45-Q47 PolarHBondContact O-N 2.85Å
48N26.8Very low30.5Very low132 Ų132138.4 Ų138.471%0.70677%0.772SS**  trans-84.1147.8-170.4-107.5-5.7000113
49C26.5Very low31.9Very low117 Ų117133.1 Ų133.179%0.79176%0.757SS**  trans76.6152.9149.4-62.40000119.6
50P31.6Very low33.6Very low93 Ų93132.4 Ų132.460%0.60475%0.749SS**  cis-122.6161.85.334.9-17.4000114.9F52P50-F52 HydrophobicContact CG-CD2 4.32Å; P50-F52 HydrophobicContact CG-CE2 3.84Å; P50-F52 PolarHBondContact O-N 3.33Å
51A32.9Very low35.7Very low91 Ų91125.9 Ų125.975%0.75272%0.72SS**  trans-62.2118.416500000110.2
52F26.3Very low37.6Very low184 Ų184123.2 Ų123.281%0.80770%0.704SS**  trans-100.9104.7159.4-81-81.4000108.1P50P50-F52 HydrophobicContact CG-CD2 4.32Å; P50-F52 HydrophobicContact CG-CE2 3.84Å; P50-F52 PolarHBondContact O-N 3.33Å
53F34.8Very low40.1Very low203 Ų203112.4 Ų112.489%0.8966%0.664SS**  trans-70123.6155.1-84.9-89.9000108.2
54S28.5Very low42.5Very low97 Ų97107.8 Ų107.868%0.67864%0.642SS**  trans-160.387.5166.4165.50000106.5
55S32.7Very low44.5Very low112 Ų112108 Ų10878%0.78363%0.632SS**  48.2119.210375.20000116
56A29.1Very low46.7Very low93 Ų93106.6 Ų106.677%0.76961%0.613SS**  trans89.4123.217200000117.3S58A56-S58 PolarHBondContact O-N 3.37Å
57P36.5Very low48.2Very low126 Ų126107.6 Ų107.682%0.81861%0.613SS**  trans-79.7105.1171.731.6-28.1000108.9S59P57-S59 PolarHBondContact O-N 3.33Å
58S36.8Very low50.1Low98 Ų98102.3 Ų102.369%0.68561%0.608SS**  trans-73.9118.6163.952.10000108.5A56 D60A56-S58 PolarHBondContact O-N 3.37Å; S58-D60 PolarHBondContact O-N 3.19Å
59S57.5Low52.4Low68 Ų68103.4 Ų103.448%0.47660%0.602SS.*  trans-72.432-174.1-42.60000115P57 N144P57-S59 PolarHBondContact O-N 3.33Å; S59-N144 PolarHBondContact O-N 2.87Å; S59-N144 VanDerWaalsContact O-N 3.09Å
60D64Low55Low107 Ų10798.9 Ų98.957%0.57257%0.571SS**EExtended strand (participates in β ladder)trans-111.4119.1-174.3-64.1-25.5000110.2S58S58-D60 PolarHBondContact O-N 3.19Å
61L75.4Confident57.6Low21 Ų2194.5 Ų94.511%0.1154%0.542CS..EExtended strand (participates in β ladder)trans-98.3132.4173.3-60.3178.6000108.9E73 V74 P75 L136 Y143 N144 V145 S146L61-E73 WeakPolarHBondContact CD2-O 3.4Å; L61-V74 HydrophobicContact CD1-CG2 3.98Å; L61-P75 HydrophobicContact CD2-CG 4.41Å; L61-L136 HydrophobicContact CD1-CD2 4.45Å; L61-Y143 VanDerWaalsContact CD1-CB 3.44Å; L61-Y143 HydrophobicContact CD1-CD1 4.02Å; L61-Y143 HydrophobicContact CD1-CD2 4.2Å; L61-Y143 HydrophobicContact CD1-CG 3.63Å; L61-Y143 HydrophobicContact CD2-CD1 4.16Å; L61-Y143 HydrophobicContact CG-CD1 3.96Å; L61-Y143 HydrophobicContact CG-CG 4.01Å; L61-N144 PolarHBondContact N-O 3.45Å; L61-V145 HydrophobicContact CB-CG2 4.21Å; L61-V145 HydrophobicContact CD1-CG2 4.38Å; L61-V145 WeakPolarHBondContact O-CA 3.43Å; L61-S146 PolarHBondContact O-N 2.86Å
62S69.9Low60.2Low56 Ų5690.1 Ų90.139%0.39251%0.506SS..EExtended strand (participates in β ladder)trans-103.8130.6176.652.10000110.9
63L80.2Confident63Low10 Ų1083.1 Ų83.15%0.05248%0.476CS..EExtended strand (participates in β ladder)trans-75.4122.3168.6-90.8154.7000109.7L70 L72 L87 L130 F134 V145 P148L63-L70 HydrophobicContact CB-CD2 4.49Å; L63-L70 HydrophobicContact CD2-CD2 4.06Å; L63-L72 HydrophobicContact CD2-CB 4.12Å; L63-L72 HydrophobicContact CD2-CD1 4.15Å; L63-L72 HydrophobicContact CG-CD1 4.09Å; L63-L87 HydrophobicContact CD2-CD1 3.48Å; L63-L87 VanDerWaalsContact CD2-CD1 3.48Å; L63-L130 HydrophobicContact CD1-CD2 3.51Å; L63-L130 HydrophobicContact CD2-CD2 4.34Å; L63-F134 HydrophobicContact CD1-CE1 4.05Å; L63-F134 HydrophobicContact CD1-CZ 4.26Å; L63-V145 HydrophobicContact CD1-CG1 3.49Å; L63-V145 VanDerWaalsContact CD1-CG1 3.49Å; L63-V145 HydrophobicContact CG-CG1 3.75Å; L63-P148 HydrophobicContact CB-CG 3.98Å
64K80.6Confident65.4Low81 Ų8173.5 Ų73.535%0.35243%0.433SS..EExtended strand (participates in β ladder)trans-111.3137.4-178.2-65.9176.4-174.9165.50110.4V71 E73K64-V71 PolarHBondContact N-O 3.32Å; K64-V71 WeakPolarHBondContact O-CA 3.31Å; K64-V71 PolarHBondContact O-N 3.11Å; K64-E73 IonicContact NZ-OE1 2.7Å; K64-E73 IonicContact NZ-OE2 2.86Å; K64-E73 PolarHBondContact NZ-OE2 3.33Å
65H74.6Confident68Low121 Ų12169.8 Ų69.856%0.5641%0.407SS*.EExtended strand (participates in β ladder)trans-85.3113.1167.2-8484.1000109.4R69 L70H65-R69 WeakPolarHBondContact CA-O 3.25Å; H65-L70 WeakPolarHBondContact CE1-CD2 3.42Å
66K74.5Confident70.3Confident75 Ų7564.9 Ų64.933%0.32637%0.372SS..EExtended strand (participates in β ladder)trans-119.3124.7171.4-65.2-176.3-175.3166.20108.8G68 R69 V71 E73K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 2.97Å; K66-R69 PolarHBondContact N-O 2.73Å; K66-R69 PolarHBondContact O-N 2.72Å; K66-R69 VanDerWaalsContact O-N 3.1Å; K66-V71 HydrophobicContact CB-CG2 3.93Å; K66-V71 HydrophobicContact CG-CG2 4.38Å; K66-E73 IonicContact NZ-OE1 3.44Å; K66-E73 PolarHBondContact NZ-OE1 2.85Å
67H66.3Low72.5Confident187 Ų18763.1 Ų63.187%0.86635%0.353SS*.THydrogen-bonded Turntrans54.238.6178.4-47.498000114.4R69H67-R69 PolarHBondContact O-N 2.78Å
68G67.3Low74.2Confident76 Ų7660.8 Ų60.878%0.78434%0.34SS*.THydrogen-bonded Turntrans72.212.5179.900000114.9K66K66-G68 VanDerWaalsContact C-N 3.29Å; K66-G68 PolarHBondContact O-N 2.97Å
69R75.3Confident76Confident155 Ų15565.2 Ų65.259%0.58534%0.341SS*.EExtended strand (participates in β ladder)trans-119.7143.4171.9-62.4-176.9-176.1-177.11.1109.9H65 K66 H67 F86H65-R69 WeakPolarHBondContact CA-O 3.25Å; K66-R69 PolarHBondContact N-O 2.73Å; K66-R69 PolarHBondContact O-N 2.72Å; K66-R69 VanDerWaalsContact O-N 3.1Å; H67-R69 PolarHBondContact O-N 2.78Å; R69-F86 HydrophobicContact CB-CD1 4.47Å
70L81Confident76.6Confident23 Ų2368.7 Ų68.712%0.1235%0.354CS..EExtended strand (participates in β ladder)trans-70.9129.1171.3-83148.2000108.7L63 H65 L87 P89 L130 P148L63-L70 HydrophobicContact CB-CD2 4.49Å; L63-L70 HydrophobicContact CD2-CD2 4.06Å; H65-L70 WeakPolarHBondContact CE1-CD2 3.42Å; L70-L87 HydrophobicContact CB-CB 3.79Å; L70-L87 HydrophobicContact CB-CD1 4.3Å; L70-L87 HydrophobicContact CB-CG 4.5Å; L70-L87 WeakPolarHBondContact O-CB 3.28Å; L70-L87 PolarHBondContact O-N 3.5Å; L70-P89 HydrophobicContact CD1-CG 3.56Å; L70-L130 HydrophobicContact CD1-CD1 3.99Å; L70-P148 HydrophobicContact CD2-CG 3.69Å
71V86.1Confident77.5Confident0 Ų068.4 Ų68.40%035%0.35CS..EExtended strand (participates in β ladder)trans-122.9125.6179.4-175.70000108.6K64 K66 L84 F85 F86K64-V71 PolarHBondContact N-O 3.32Å; K64-V71 WeakPolarHBondContact O-CA 3.31Å; K64-V71 PolarHBondContact O-N 3.11Å; K66-V71 HydrophobicContact CB-CG2 3.93Å; K66-V71 HydrophobicContact CG-CG2 4.38Å; V71-L84 HydrophobicContact CG1-CB 4Å; V71-L84 HydrophobicContact CG1-CD2 3.68Å; V71-L84 HydrophobicContact CG1-CG 4.42Å; V71-F85 WeakPolarHBondContact CA-O 3.46Å; V71-F86 HydrophobicContact CG2-CD1 3.65Å; V71-F86 HydrophobicContact CG2-CE1 3.7Å
72L86Confident77.7Confident0 Ų072.8 Ų72.80%037%0.373CS..EExtended strand (participates in β ladder)trans-102.6116176.4-17966.6000108.5L63 V74 F85 L87 L97 V145L63-L72 HydrophobicContact CD2-CB 4.12Å; L63-L72 HydrophobicContact CD2-CD1 4.15Å; L63-L72 HydrophobicContact CG-CD1 4.09Å; L72-V74 HydrophobicContact CD1-CG2 4.36Å; L72-V74 HydrophobicContact CD2-CG2 3.85Å; L72-V74 HydrophobicContact CG-CG2 3.71Å; L72-F85 HydrophobicContact CB-CB 4.38Å; L72-F85 PolarHBondContact N-O 3.16Å; L72-F85 PolarHBondContact O-N 3.35Å; L72-L87 HydrophobicContact CB-CD1 3.98Å; L72-L87 HydrophobicContact CB-CD2 4.41Å; L72-L87 HydrophobicContact CB-CG 4.23Å; L72-L97 HydrophobicContact CD2-CD2 4.38Å; L72-V145 HydrophobicContact CD1-CG1 3.75Å; L72-V145 HydrophobicContact CD1-CG2 4.32Å
73E85Confident78.4Confident37 Ų3771.3 Ų71.317%0.17336%0.363CS..EExtended strand (participates in β ladder)trans-88.2114.3174.4-82.9171.2-163.200108.3L61 K64 K66 L84L61-E73 WeakPolarHBondContact CD2-O 3.4Å; K64-E73 IonicContact NZ-OE1 2.7Å; K64-E73 IonicContact NZ-OE2 2.86Å; K64-E73 PolarHBondContact NZ-OE2 3.33Å; K66-E73 IonicContact NZ-OE1 3.44Å; K66-E73 PolarHBondContact NZ-OE1 2.85Å; E73-L84 HydrophobicContact CB-CD2 4.42Å; E73-L84 HydrophobicContact CG-CD2 3.13Å; E73-L84 HydrophobicContact CG-CG 4.46Å; E73-L84 WeakPolarHBondContact OE1-CD2 3.42Å
74V85.8Confident78.8Confident0 Ų074.8 Ų74.80%038%0.381CS..EExtended strand (participates in β ladder)trans-126.7124.3-178.9172.40000109.7L61 L72 L76 C83 F85 L101 L136 I138L61-V74 HydrophobicContact CD1-CG2 3.98Å; L72-V74 HydrophobicContact CD1-CG2 4.36Å; L72-V74 HydrophobicContact CD2-CG2 3.85Å; L72-V74 HydrophobicContact CG-CG2 3.71Å; V74-L76 HydrophobicContact CG1-CD2 4.42Å; V74-L76 PolarHBondContact O-N 2.73Å; V74-C83 PolarHBondContact N-O 2.9Å; V74-C83 PolarHBondContact O-N 2.86Å; V74-F85 HydrophobicContact CB-CD2 4.28Å; V74-F85 HydrophobicContact CB-CE2 4.14Å; V74-F85 HydrophobicContact CG2-CD2 4.46Å; V74-L101 HydrophobicContact CG1-CD2 4.19Å; V74-L136 HydrophobicContact CG1-CD2 4.22Å; V74-L136 HydrophobicContact CG2-CD2 3.67Å; V74-I138 HydrophobicContact CG1-CD1 3.33Å
75P82.8Confident79.1Confident20 Ų2071.9 Ų71.913%0.1337%0.368CS..EExtended strand (participates in β ladder)trans-70.9120.7170.328.8-32.1000109.7L61 Y143L61-P75 HydrophobicContact CD2-CG 4.41Å; P75-Y143 HydrophobicContact CG-CE1 3.78Å
76L82.5Confident79.7Confident9 Ų971.9 Ų71.95%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-88133.4177.9-69174.6000111.2V74 S78 N80 E81 C83 F85 L101 E104 D105V74-L76 HydrophobicContact CG1-CD2 4.42Å; V74-L76 PolarHBondContact O-N 2.73Å; L76-S78 PolarHBondContact O-N 2.8Å; L76-N80 WeakPolarHBondContact O-CA 3.32Å; L76-N80 PolarHBondContact O-N 3.32Å; L76-E81 PolarHBondContact N-O 2.96Å; L76-C83 HydrophobicContact CD1-CB 3.69Å; L76-C83 WeakPolarHBondContact CD1-SG 3.29Å; L76-C83 HydrophobicContact CG-CB 4.16Å; L76-F85 HydrophobicContact CD1-CZ 4.43Å; L76-L101 HydrophobicContact CD2-CD2 4.28Å; L76-E104 HydrophobicContact CD1-CB 4.12Å; L76-E104 HydrophobicContact CD1-CG 3.49Å; L76-E104 VanDerWaalsContact CD1-CG 3.49Å; L76-D105 HydrophobicContact CB-CB 4.38Å; L76-D105 HydrophobicContact CD1-CB 4.13Å; L76-D105 HydrophobicContact CD2-CB 3.99Å; L76-D105 HydrophobicContact CG-CB 4.4Å
77P73.6Confident80.2Confident55 Ų5568.6 Ų68.636%0.35735%0.353SS..THydrogen-bonded Turntrans-68.2-30-169.426.4-35.5000113.9D105 A108 I138P77-D105 VanDerWaalsContact CD-OD2 3.26Å; P77-D105 WeakPolarHBondContact CD-OD2 3.38Å; P77-D105 WeakPolarHBondContact CG-OD2 3.45Å; P77-A108 HydrophobicContact CG-CB 4Å; P77-I138 HydrophobicContact CG-CG2 3.92Å
78S73.3Confident81.1Confident78 Ų7866.7 Ų66.755%0.54534%0.338SS..THydrogen-bonded Turntrans-73.5-31.9-175.3-65.80000113.9L76 D105L76-S78 PolarHBondContact O-N 2.8Å; S78-D105 WeakPolarHBondContact CB-OD1 3.46Å; S78-D105 VanDerWaalsContact CB-OD2 3.24Å; S78-D105 WeakPolarHBondContact CB-OD2 3.29Å; S78-D105 PolarHBondContact N-OD2 3.08Å; S78-D105 VanDerWaalsContact N-OD2 3.11Å; S78-D105 PolarHBondContact OG-OD1 2.82Å; S78-D105 PolarHBondContact OG-OD2 3.19Å
79R73.8Confident81.6Confident191 Ų19164.2 Ų64.272%0.72131%0.308SS*.THydrogen-bonded Turntrans-118-9.9-176.4-55.3-174.4104-163.27.3113.7E81R79-E81 HydrophobicContact CB-CB 4.42Å; R79-E81 HydrophobicContact CB-CG 4.14Å; R79-E81 IonicContact NH1-OE2 3.35Å; R79-E81 PolarHBondContact O-N 3.47Å
80N71.3Confident81.7Confident140 Ų14063.9 Ų63.975%0.74932%0.315SS*.THydrogen-bonded Turntrans52.936.3-173.8-157.733.2000112.6L76L76-N80 WeakPolarHBondContact O-CA 3.32Å; L76-N80 PolarHBondContact O-N 3.32Å
81E81.5Confident81.6Confident102 Ų10269.3 Ų69.348%0.47734%0.343SS..EExtended strand (participates in β ladder)trans-108.3145176.3-69.5176.3172.400109L76 R79 C83L76-E81 PolarHBondContact N-O 2.96Å; R79-E81 HydrophobicContact CB-CB 4.42Å; R79-E81 HydrophobicContact CB-CG 4.14Å; R79-E81 IonicContact NH1-OE2 3.35Å; R79-E81 PolarHBondContact O-N 3.47Å; E81-C83 PolarHBondContact O-N 3.09Å
82N81.5Confident81.7Confident113 Ų11369.8 Ų69.860%0.60435%0.346SS*.EExtended strand (participates in β ladder)trans-84.6108.3176.8-66.1-2.7000109.3
83C84.3Confident82Confident25 Ų2571.3 Ų71.317%0.16936%0.355CS..EExtended strand (participates in β ladder)trans-90.3143.8175.2-76.20000111.5V74 L76 E81 F85V74-C83 PolarHBondContact N-O 2.9Å; V74-C83 PolarHBondContact O-N 2.86Å; L76-C83 HydrophobicContact CD1-CB 3.69Å; L76-C83 WeakPolarHBondContact CD1-SG 3.29Å; L76-C83 HydrophobicContact CG-CB 4.16Å; E81-C83 PolarHBondContact O-N 3.09Å; C83-F85 HydrophobicContact CB-CE2 3.72Å; C83-F85 HydrophobicContact CB-CZ 4.06Å
84L87.7Confident82.2Confident82 Ų8269.5 Ų69.543%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-100.7115.2-179.1-64.4171.5000109.6V71 E73V71-L84 HydrophobicContact CG1-CB 4Å; V71-L84 HydrophobicContact CG1-CD2 3.68Å; V71-L84 HydrophobicContact CG1-CG 4.42Å; E73-L84 HydrophobicContact CB-CD2 4.42Å; E73-L84 HydrophobicContact CG-CD2 3.13Å; E73-L84 HydrophobicContact CG-CG 4.46Å; E73-L84 WeakPolarHBondContact OE1-CD2 3.42Å
85F87.5Confident82.4Confident21 Ų2170.3 Ų70.39%0.09236%0.355CS..EExtended strand (participates in β ladder)trans-102.8121.4175.7-65.1-85.8000110.4V71 L72 V74 L76 C83 L101 E104V71-F85 WeakPolarHBondContact CA-O 3.46Å; L72-F85 HydrophobicContact CB-CB 4.38Å; L72-F85 PolarHBondContact N-O 3.16Å; L72-F85 PolarHBondContact O-N 3.35Å; V74-F85 HydrophobicContact CB-CD2 4.28Å; V74-F85 HydrophobicContact CB-CE2 4.14Å; V74-F85 HydrophobicContact CG2-CD2 4.46Å; L76-F85 HydrophobicContact CD1-CZ 4.43Å; C83-F85 HydrophobicContact CB-CE2 3.72Å; C83-F85 HydrophobicContact CB-CZ 4.06Å; F85-L101 HydrophobicContact CD2-CD2 3.99Å; F85-L101 HydrophobicContact CE1-CD2 4.02Å; F85-L101 HydrophobicContact CE1-CG 4.42Å; F85-L101 HydrophobicContact CE2-CD2 3.42Å; F85-L101 VanDerWaalsContact CE2-CD2 3.42Å; F85-L101 HydrophobicContact CZ-CD2 3.45Å; F85-L101 VanDerWaalsContact CZ-CD2 3.45Å; F85-L101 HydrophobicContact CZ-CG 4.31Å; F85-E104 HydrophobicContact CE1-CB 4.23Å; F85-E104 HydrophobicContact CZ-CB 4.1Å; F85-E104 HydrophobicContact CZ-CG 4.25Å
86F86.8Confident82.8Confident121 Ų12172.9 Ų72.953%0.53137%0.367SS..EExtended strand (participates in β ladder)trans-84.7115.9176.8-67.5-81.6000110.7R69 V71R69-F86 HydrophobicContact CB-CD1 4.47Å; V71-F86 HydrophobicContact CG2-CD1 3.65Å; V71-F86 HydrophobicContact CG2-CE1 3.7Å
87L85Confident83Confident5 Ų572.6 Ų72.63%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-91.7131.6-176.5-60.5-173.3000110.9L63 L70 L72 M92 L97 L126L63-L87 HydrophobicContact CD2-CD1 3.48Å; L63-L87 VanDerWaalsContact CD2-CD1 3.48Å; L70-L87 HydrophobicContact CB-CB 3.79Å; L70-L87 HydrophobicContact CB-CD1 4.3Å; L70-L87 HydrophobicContact CB-CG 4.5Å; L70-L87 WeakPolarHBondContact O-CB 3.28Å; L70-L87 PolarHBondContact O-N 3.5Å; L72-L87 HydrophobicContact CB-CD1 3.98Å; L72-L87 HydrophobicContact CB-CD2 4.41Å; L72-L87 HydrophobicContact CB-CG 4.23Å; L87-M92 VanDerWaalsContact C-CE 3.49Å; L87-M92 HydrophobicContact CB-CE 3.38Å; L87-M92 HydrophobicContact CB-SD 4.42Å; L87-M92 HydrophobicContact CD2-CE 3.86Å; L87-M92 HydrophobicContact CD2-SD 4.38Å; L87-M92 HydrophobicContact CG-CE 4.1Å; L87-L97 HydrophobicContact CD2-CD1 3.64Å; L87-L97 HydrophobicContact CD2-CD2 4.22Å; L87-L126 HydrophobicContact CB-CD2 4.3Å; L87-L126 HydrophobicContact CD1-CD2 3.78Å; L87-L126 HydrophobicContact CD2-CD2 3.9Å; L87-L126 HydrophobicContact CG-CD2 4.2Å
88R84.4Confident83.8Confident147 Ų14770.6 Ų70.656%0.55535%0.352SS*.  trans-112.780.5167.8-62.7178.6-72174.5-2112.3M90 L91 M92R88-M90 VanDerWaalsContact C-N 3.25Å; R88-M90 PolarHBondContact O-N 3.45Å; R88-L91 HydrophobicContact CB-CB 4.3Å; R88-L91 PolarHBondContact O-N 3.37Å; R88-M92 HydrophobicContact CB-SD 4.11Å; R88-M92 PolarHBondContact N-SD 3.32Å; R88-M92 WeakPolarHBondContact O-CG 3.46Å; R88-M92 PolarHBondContact O-N 2.96Å
89P79.3Confident84.6Confident25 Ų2569 Ų6916%0.16234%0.344CS..THydrogen-bonded Turntrans-52-35.4-166.6-29.735.4000116L70 D127 L130L70-P89 HydrophobicContact CD1-CG 3.56Å; P89-D127 HydrophobicContact CB-CB 3.98Å; P89-D127 PolarHBondContact O-N 3.21Å; P89-L130 HydrophobicContact CB-CD1 3.88Å; P89-L130 HydrophobicContact CG-CD1 3.62Å
90M76.3Confident85.3Confident147 Ų14762.7 Ų62.772%0.72433%0.325SS*.THydrogen-bonded Turntrans-87.5-10.8-177-62.3-158.5157.800115.4R88R88-M90 VanDerWaalsContact C-N 3.25Å; R88-M90 PolarHBondContact O-N 3.45Å
91L80.5Confident86.1Confident137 Ų13756.1 Ų56.172%0.71729%0.289SS*.THydrogen-bonded Turntrans-118.3-4.7-174.9-65.5176.6000113.2R88R88-L91 HydrophobicContact CB-CB 4.3Å; R88-L91 PolarHBondContact O-N 3.37Å
92M88Confident86.4Confident10 Ų1056.7 Ų56.75%0.04929%0.29CS..  trans-130.1147.3-174.678.1-165167.700112L87 R88 D96 L126L87-M92 VanDerWaalsContact C-CE 3.49Å; L87-M92 HydrophobicContact CB-CE 3.38Å; L87-M92 HydrophobicContact CB-SD 4.42Å; L87-M92 HydrophobicContact CD2-CE 3.86Å; L87-M92 HydrophobicContact CD2-SD 4.38Å; L87-M92 HydrophobicContact CG-CE 4.1Å; R88-M92 HydrophobicContact CB-SD 4.11Å; R88-M92 PolarHBondContact N-SD 3.32Å; R88-M92 WeakPolarHBondContact O-CG 3.46Å; R88-M92 PolarHBondContact O-N 2.96Å; M92-D96 HydrophobicContact CB-CB 4.33Å; M92-L126 HydrophobicContact CE-CB 3.73Å; M92-L126 HydrophobicContact CE-CD2 2.98Å; M92-L126 HydrophobicContact CE-CG 3.89Å; M92-L126 HydrophobicContact CG-CB 4.01Å; M92-L126 PolarHBondContact O-N 3.29Å; M92-L126 VanDerWaalsContact O-N 3.08Å; M92-L126 HydrophobicContact SD-CD2 4.34Å
93T91.7Very high86.6Confident32 Ų3260.3 Ų60.320%0.19630%0.295CS..BIsolated β-bridgetrans-98.4165.7173.863.40000111G95 D96 L97 N122 T124 L125T93-G95 PolarHBondContact O-N 2.7Å; T93-D96 PolarHBondContact N-OD2 3.41Å; T93-D96 PolarHBondContact O-N 2.86Å; T93-D96 VanDerWaalsContact O-N 3.14Å; T93-D96 PolarHBondContact OG1-N 3.45Å; T93-D96 PolarHBondContact OG1-OD2 3.36Å; T93-L97 PolarHBondContact O-N 3.34Å; T93-N122 WeakPolarHBondContact CB-O 3.49Å; T93-N122 PolarHBondContact OG1-O 3.36Å; T93-T124 WeakPolarHBondContact CA-O 3.5Å; T93-L125 HydrophobicContact CG2-CD2 4.34Å
94V89.6Confident86.8Confident0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-55-36.9169.4165.10000111.5L97 I98 L112 V120 T124 L126 L129V94-L97 PolarHBondContact O-N 3.33Å; V94-I98 HydrophobicContact CG1-CD1 3.84Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.4Å; V94-I98 PolarHBondContact O-N 2.85Å; V94-L112 HydrophobicContact CB-CD1 4.45Å; V94-L112 HydrophobicContact CG1-CB 4.17Å; V94-L112 HydrophobicContact CG1-CD1 3.62Å; V94-L112 HydrophobicContact CG1-CG 4.49Å; V94-L112 HydrophobicContact CG2-CD1 4.44Å; V94-V120 HydrophobicContact CG1-CG1 4.36Å; V94-V120 HydrophobicContact CG2-CG1 4Å; V94-T124 WeakPolarHBondContact CG2-O 3.34Å; V94-T124 PolarHBondContact N-O 2.99Å; V94-L126 HydrophobicContact CG2-CD1 3.94Å; V94-L129 HydrophobicContact CG2-CD2 3.75Å
95G88.9Confident86.7Confident17 Ų1761.6 Ų61.618%0.17530%0.297CS..Hα-helixtrans-63.4-41175.900000112.9T93 I98 A99 N122T93-G95 PolarHBondContact O-N 2.7Å; G95-I98 PolarHBondContact O-N 3.3Å; G95-A99 WeakPolarHBondContact O-CB 3.47Å; G95-A99 PolarHBondContact O-N 2.83Å; G95-N122 WeakPolarHBondContact CA-O 3.37Å; G95-N122 PolarHBondContact N-O 2.92Å
96D90.6Very high86.3Confident73 Ų7366.6 Ų66.639%0.3934%0.335SS..Hα-helixtrans-65.1-41.4177.1-58.6-45000111.2M92 T93 A99 D100M92-D96 HydrophobicContact CB-CB 4.33Å; T93-D96 PolarHBondContact N-OD2 3.41Å; T93-D96 PolarHBondContact O-N 2.86Å; T93-D96 VanDerWaalsContact O-N 3.14Å; T93-D96 PolarHBondContact OG1-N 3.45Å; T93-D96 PolarHBondContact OG1-OD2 3.36Å; D96-A99 WeakPolarHBondContact O-CB 3.44Å; D96-A99 PolarHBondContact O-N 2.82Å; D96-D100 VanDerWaalsContact O-CG 3.32Å; D96-D100 PolarHBondContact O-N 3.22Å
97L88.6Confident85.8Confident4 Ų462.7 Ų62.72%0.02133%0.328CS..Hα-helixtrans-63.3-43.6175.9178.959.9000112.1L72 L87 T93 V94 A99 D100 L101 L112 L126L72-L97 HydrophobicContact CD2-CD2 4.38Å; L87-L97 HydrophobicContact CD2-CD1 3.64Å; L87-L97 HydrophobicContact CD2-CD2 4.22Å; T93-L97 PolarHBondContact O-N 3.34Å; V94-L97 PolarHBondContact O-N 3.33Å; L97-A99 VanDerWaalsContact C-N 3.29Å; L97-A99 PolarHBondContact O-N 3.2Å; L97-D100 PolarHBondContact O-N 3.4Å; L97-L101 HydrophobicContact CG-CD1 4.45Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 2.96Å; L97-L112 HydrophobicContact CD2-CD1 4.09Å; L97-L126 HydrophobicContact CD2-CD1 3.84Å; L97-L126 HydrophobicContact CD2-CD2 4.26Å
98I89Confident85.4Confident13 Ų1362.6 Ų62.67%0.06733%0.329CS..Hα-helixtrans-64.7-37.6175.3-66.4164.9000110.6V94 G95 L101 K102 A110 L112V94-I98 HydrophobicContact CG1-CD1 3.84Å; V94-I98 VanDerWaalsContact O-CG1 3.29Å; V94-I98 WeakPolarHBondContact O-CG1 3.4Å; V94-I98 PolarHBondContact O-N 2.85Å; G95-I98 PolarHBondContact O-N 3.3Å; I98-L101 PolarHBondContact O-N 2.88Å; I98-K102 HydrophobicContact CG2-CD 4.31Å; I98-K102 WeakPolarHBondContact O-CG 3.32Å; I98-K102 PolarHBondContact O-N 3.16Å; I98-A110 HydrophobicContact CG2-CB 4.42Å; I98-L112 HydrophobicContact CD1-CD1 4.44Å; I98-L112 HydrophobicContact CG1-CD1 4.27Å
99A89.9Confident85.3Confident45 Ų4558.6 Ų58.637%0.37233%0.327SS..Hα-helixtrans-65.3-39.9175.700000111.5G95 D96 L97 K102 R103G95-A99 WeakPolarHBondContact O-CB 3.47Å; G95-A99 PolarHBondContact O-N 2.83Å; D96-A99 WeakPolarHBondContact O-CB 3.44Å; D96-A99 PolarHBondContact O-N 2.82Å; L97-A99 VanDerWaalsContact C-N 3.29Å; L97-A99 PolarHBondContact O-N 3.2Å; A99-K102 PolarHBondContact O-N 3.4Å; A99-R103 VanDerWaalsContact O-CB 3.3Å; A99-R103 WeakPolarHBondContact O-CB 3.4Å; A99-R103 PolarHBondContact O-N 2.83Å
100D89.4Confident85.5Confident58 Ų5857.9 Ų57.931%0.3132%0.323SS..Hα-helixtrans-66.7-39.8176.1-72-16.5000112D96 L97 R103 E104D96-D100 VanDerWaalsContact O-CG 3.32Å; D96-D100 PolarHBondContact O-N 3.22Å; L97-D100 PolarHBondContact O-N 3.4Å; D100-R103 WeakPolarHBondContact O-CB 3.26Å; D100-R103 PolarHBondContact O-N 2.89Å; D100-R103 IonicContact OD1-CZ 3.81Å; D100-R103 IonicContact OD1-NE 2.82Å; D100-R103 PolarHBondContact OD1-NE 3.31Å; D100-R103 IonicContact OD1-NH2 3.57Å; D100-R103 PolarHBondContact OD1-NH2 3.39Å; D100-E104 PolarHBondContact O-N 2.96Å; D100-E104 VanDerWaalsContact O-N 3.11Å
101L87.4Confident85.9Confident2 Ų251.9 Ų51.91%0.0130%0.296CS..Hα-helixtrans-61.3-45.1172.4-75.8165.3000112.1V74 L76 F85 L97 I98 R103 E104 D105 A110 L136V74-L101 HydrophobicContact CG1-CD2 4.19Å; L76-L101 HydrophobicContact CD2-CD2 4.28Å; F85-L101 HydrophobicContact CD2-CD2 3.99Å; F85-L101 HydrophobicContact CE1-CD2 4.02Å; F85-L101 HydrophobicContact CE1-CG 4.42Å; F85-L101 HydrophobicContact CE2-CD2 3.42Å; F85-L101 VanDerWaalsContact CE2-CD2 3.42Å; F85-L101 HydrophobicContact CZ-CD2 3.45Å; F85-L101 VanDerWaalsContact CZ-CD2 3.45Å; F85-L101 HydrophobicContact CZ-CG 4.31Å; L97-L101 HydrophobicContact CG-CD1 4.45Å; L97-L101 WeakPolarHBondContact O-CG 3.31Å; L97-L101 PolarHBondContact O-N 2.96Å; I98-L101 PolarHBondContact O-N 2.88Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 3.12Å; L101-E104 PolarHBondContact O-N 3.41Å; L101-D105 PolarHBondContact O-N 2.87Å; L101-A110 HydrophobicContact CB-CB 4.33Å; L101-A110 HydrophobicContact CD1-CB 3.95Å; L101-L136 HydrophobicContact CD1-CD1 4.15Å; L101-L136 HydrophobicContact CD1-CD2 4.49Å
102K87.2Confident86.2Confident113 Ų11345.5 Ų45.549%0.49126%0.262SS..Hα-helixtrans-67.3-31177-75.3178.5179.7-177.70113.2I98 A99 D105 S106I98-K102 HydrophobicContact CG2-CD 4.31Å; I98-K102 WeakPolarHBondContact O-CG 3.32Å; I98-K102 PolarHBondContact O-N 3.16Å; A99-K102 PolarHBondContact O-N 3.4Å; K102-D105 CarbonylContact O-C 3.57Å; K102-D105 VanDerWaalsContact O-C 3.32Å; K102-S106 PolarHBondContact O-N 2.92Å
103R87.8Confident86.1Confident189 Ų18946.7 Ų46.771%0.71327%0.268SS*.Hα-helixtrans-68.5-38.4177.5-167.2-166.3-41.4-114.82.8111A99 D100 L101A99-R103 VanDerWaalsContact O-CB 3.3Å; A99-R103 WeakPolarHBondContact O-CB 3.4Å; A99-R103 PolarHBondContact O-N 2.83Å; D100-R103 WeakPolarHBondContact O-CB 3.26Å; D100-R103 PolarHBondContact O-N 2.89Å; D100-R103 IonicContact OD1-CZ 3.81Å; D100-R103 IonicContact OD1-NE 2.82Å; D100-R103 PolarHBondContact OD1-NE 3.31Å; D100-R103 IonicContact OD1-NH2 3.57Å; D100-R103 PolarHBondContact OD1-NH2 3.39Å; L101-R103 VanDerWaalsContact C-N 3.31Å; L101-R103 PolarHBondContact O-N 3.12Å
104E87.9Confident85.8Confident125 Ų12546.6 Ų46.658%0.58427%0.269SS*.Hα-helixtrans-76.8-42.6177.7-166.563.6-155.300111.8L76 F85 D100 L101L76-E104 HydrophobicContact CD1-CB 4.12Å; L76-E104 HydrophobicContact CD1-CG 3.49Å; L76-E104 VanDerWaalsContact CD1-CG 3.49Å; F85-E104 HydrophobicContact CE1-CB 4.23Å; F85-E104 HydrophobicContact CZ-CB 4.1Å; F85-E104 HydrophobicContact CZ-CG 4.25Å; D100-E104 PolarHBondContact O-N 2.96Å; D100-E104 VanDerWaalsContact O-N 3.11Å; L101-E104 PolarHBondContact O-N 3.41Å
105D85.3Confident85.3Confident9 Ų949.2 Ų49.25%0.04829%0.291CS..  trans-129101.2176.2-170-7.9000111.4L76 P77 S78 L101 K102 G107 A108L76-D105 HydrophobicContact CB-CB 4.38Å; L76-D105 HydrophobicContact CD1-CB 4.13Å; L76-D105 HydrophobicContact CD2-CB 3.99Å; L76-D105 HydrophobicContact CG-CB 4.4Å; P77-D105 VanDerWaalsContact CD-OD2 3.26Å; P77-D105 WeakPolarHBondContact CD-OD2 3.38Å; P77-D105 WeakPolarHBondContact CG-OD2 3.45Å; S78-D105 WeakPolarHBondContact CB-OD1 3.46Å; S78-D105 VanDerWaalsContact CB-OD2 3.24Å; S78-D105 WeakPolarHBondContact CB-OD2 3.29Å; S78-D105 PolarHBondContact N-OD2 3.08Å; S78-D105 VanDerWaalsContact N-OD2 3.11Å; S78-D105 PolarHBondContact OG-OD1 2.82Å; S78-D105 PolarHBondContact OG-OD2 3.19Å; L101-D105 PolarHBondContact O-N 2.87Å; K102-D105 CarbonylContact O-C 3.57Å; K102-D105 VanDerWaalsContact O-C 3.32Å; D105-G107 PolarHBondContact O-N 2.95Å; D105-G107 VanDerWaalsContact O-N 3.13Å; D105-G107 PolarHBondContact OD1-N 2.82Å; D105-A108 HydrophobicContact CB-CB 3.82Å; D105-A108 WeakPolarHBondContact O-CB 3.36Å; D105-A108 PolarHBondContact O-N 3.25Å
106S79.1Confident84.8Confident126 Ų12655.2 Ų55.288%0.88132%0.319SS*.THydrogen-bonded Turntrans-60.8-20.2177.563.50000114K102K102-S106 PolarHBondContact O-N 2.92Å
107G76.8Confident84.1Confident39 Ų3953.8 Ų53.840%0.40232%0.321SS..THydrogen-bonded Turntrans-88.3-6.6176.700000114.1D105 N139D105-G107 PolarHBondContact O-N 2.95Å; D105-G107 VanDerWaalsContact O-N 3.13Å; D105-G107 PolarHBondContact OD1-N 2.82Å; G107-N139 PolarHBondContact O-ND2 3.02Å; G107-N139 PolarHBondContact O-OD1 3.44Å
108A76.6Confident83.9Confident4 Ų460.6 Ų60.63%0.03335%0.353CS..  trans-91.5105.1-176.600000111.9P77 D105 A110 I138P77-A108 HydrophobicContact CG-CB 4Å; D105-A108 HydrophobicContact CB-CB 3.82Å; D105-A108 WeakPolarHBondContact O-CB 3.36Å; D105-A108 PolarHBondContact O-N 3.25Å; A108-A110 PolarHBondContact O-N 2.77Å; A108-I138 HydrophobicContact CB-CG2 3.96Å
109A81.5Confident83.7Confident63 Ų6369 Ų6952%0.52138%0.384SS..  trans-81.593167.200000109.6N139A109-N139 WeakPolarHBondContact CB-OD1 3.41Å; A109-N139 PolarHBondContact N-OD1 3.3Å; A109-N139 PolarHBondContact O-N 3.02Å
110A83.9Confident83.6Confident9 Ų967.7 Ų67.77%0.07437%0.371CS..EExtended strand (participates in β ladder)trans-92.2138.7178.700000112.8I98 L101 A108 V137 I138I98-A110 HydrophobicContact CG2-CB 4.42Å; L101-A110 HydrophobicContact CB-CB 4.33Å; L101-A110 HydrophobicContact CD1-CB 3.95Å; A108-A110 PolarHBondContact O-N 2.77Å; A110-V137 CarbonylContact C-O 3.51Å; A110-V137 VanDerWaalsContact CA-O 3.29Å; A110-V137 WeakPolarHBondContact CA-O 3.33Å; A110-I138 HydrophobicContact CB-CG1 4.3Å
111S84.9Confident83.5Confident22 Ų2267.5 Ų67.515%0.15438%0.378CS..EExtended strand (participates in β ladder)trans-145.3146.7166.957.10000111.3V137S111-V137 PolarHBondContact N-O 3.07Å; S111-V137 PolarHBondContact O-N 2.98Å
112L86.3Confident83.5Confident2 Ų271.9 Ų71.91%0.0140%0.401CS..EExtended strand (participates in β ladder)trans-103.6133.2-179.3-78.2157.2000110.5V94 L97 I98 V120 L129 F134 L136V94-L112 HydrophobicContact CB-CD1 4.45Å; V94-L112 HydrophobicContact CG1-CB 4.17Å; V94-L112 HydrophobicContact CG1-CD1 3.62Å; V94-L112 HydrophobicContact CG1-CG 4.49Å; V94-L112 HydrophobicContact CG2-CD1 4.44Å; L97-L112 HydrophobicContact CD2-CD1 4.09Å; I98-L112 HydrophobicContact CD1-CD1 4.44Å; I98-L112 HydrophobicContact CG1-CD1 4.27Å; L112-V120 HydrophobicContact CB-CB 4.47Å; L112-V120 PolarHBondContact O-N 3.11Å; L112-L129 HydrophobicContact CD1-CD2 4.2Å; L112-L129 HydrophobicContact CD2-CD2 4.34Å; L112-F134 HydrophobicContact CD2-CD2 3.34Å; L112-F134 HydrophobicContact CD2-CE2 3.43Å; L112-F134 VanDerWaalsContact CD2-CE2 3.43Å; L112-F134 HydrophobicContact CD2-CG 4.49Å; L112-L136 HydrophobicContact CD2-CB 3.99Å; L112-L136 HydrophobicContact CD2-CD1 3.72Å; L112-L136 HydrophobicContact CD2-CG 4.44Å; L112-L136 HydrophobicContact CG-CD1 3.9Å
113L85.3Confident83.6Confident35 Ų3572.2 Ų72.218%0.18341%0.413CS..EExtended strand (participates in β ladder)trans-115.1145.8174.1-52.7177.3000109.2Q118 R119 F134 Q135 V137L113-Q118 CarbonylContact C-O 3.5Å; L113-Q118 VanDerWaalsContact CA-O 3.25Å; L113-Q118 WeakPolarHBondContact CA-O 3.4Å; L113-R119 HydrophobicContact CD2-CB 4.03Å; L113-R119 HydrophobicContact CD2-CG 4.28Å; L113-F134 WeakPolarHBondContact O-CB 3.46Å; L113-Q135 HydrophobicContact CB-CB 4.23Å; L113-Q135 PolarHBondContact N-O 3.22Å; L113-Q135 PolarHBondContact O-N 3.05Å; L113-V137 HydrophobicContact CD1-CG2 3.6Å; L113-V137 HydrophobicContact CG-CG2 3.92Å
114S85.5Confident83.6Confident30 Ų3065.4 Ų65.421%0.2139%0.392CS..EExtended strand (participates in β ladder)trans-74.3168.9171.1-171.40000110.7D116 G117 Q118S114-D116 PolarHBondContact O-N 3.17Å; S114-D116 VanDerWaalsContact O-N 3.1Å; S114-G117 PolarHBondContact O-N 2.91Å; S114-Q118 PolarHBondContact N-O 2.66Å
115A79.8Confident83.6Confident55 Ų5564 Ų6446%0.45539%0.388SS..THydrogen-bonded Turntrans-50-34.4175.100000113G117 D133A115-G117 PolarHBondContact O-N 2.99Å; A115-D133 WeakPolarHBondContact CB-O 3.38Å; A115-D133 PolarHBondContact N-O 3.28Å
116D78Confident83.7Confident144 Ų14463.6 Ų63.677%0.7739%0.386SS*.THydrogen-bonded Turntrans-804.1179.4-57.6-44.1000113.9S114 Q118S114-D116 PolarHBondContact O-N 3.17Å; S114-D116 VanDerWaalsContact O-N 3.1Å; D116-Q118 VanDerWaalsContact C-N 3.3Å; D116-Q118 PolarHBondContact O-N 3.38Å
117G77.1Confident83.9Confident42 Ų4260.4 Ų60.443%0.43336%0.359SS..SBendtrans78.26.1179.900000115S114 A115S114-G117 PolarHBondContact O-N 2.91Å; A115-G117 PolarHBondContact O-N 2.99Å
118Q83.4Confident84.2Confident148 Ų14861.1 Ų61.169%0.69236%0.361SS*.PPolyproline II helixtrans-82.2143.9175.4-64.8-161.814.600112.3L113 S114 D116 V120L113-Q118 CarbonylContact C-O 3.5Å; L113-Q118 VanDerWaalsContact CA-O 3.25Å; L113-Q118 WeakPolarHBondContact CA-O 3.4Å; S114-Q118 PolarHBondContact N-O 2.66Å; D116-Q118 VanDerWaalsContact C-N 3.3Å; D116-Q118 PolarHBondContact O-N 3.38Å; Q118-V120 PolarHBondContact O-N 3.02Å
119R84.9Confident84.6Confident188 Ų18861.2 Ų61.271%0.70936%0.361SS*.BIsolated β-bridgetrans-70.6125.7178.7-164-177.6-146.9-163.15.9111.5L113L113-R119 HydrophobicContact CD2-CB 4.03Å; L113-R119 HydrophobicContact CD2-CG 4.28Å
120V87.3Confident84.6Confident19 Ų1959 Ų5912%0.11534%0.34CS..PPolyproline II helixtrans-77.9136.3177.4-1750000109.6V94 L112 Q118 T124 L129V94-V120 HydrophobicContact CG1-CG1 4.36Å; V94-V120 HydrophobicContact CG2-CG1 4Å; L112-V120 HydrophobicContact CB-CB 4.47Å; L112-V120 PolarHBondContact O-N 3.11Å; Q118-V120 PolarHBondContact O-N 3.02Å; V120-T124 HydrophobicContact CG1-CG2 4.09Å; V120-L129 HydrophobicContact CG1-CD1 4.36Å; V120-L129 HydrophobicContact CG2-CD1 3.89Å
121A87.8Confident84.4Confident53 Ų5364.6 Ų64.644%0.43837%0.365SS..PPolyproline II helixtrans-68144.817700000111.3T123 T124A121-T123 PolarHBondContact O-N 3.28Å; A121-T123 VanDerWaalsContact O-N 3.16Å; A121-T124 WeakPolarHBondContact O-CB 3.44Å; A121-T124 PolarHBondContact O-N 3.38Å; A121-T124 VanDerWaalsContact O-N 3.12Å; A121-T124 PolarHBondContact O-OG1 3.37Å
122N87.6Confident84.3Confident95 Ų9566.7 Ų66.751%0.50838%0.377SS..THydrogen-bonded Turntrans-63.1-22.8179-66.6-2.7000113.1T93 G95 T124T93-N122 WeakPolarHBondContact CB-O 3.49Å; T93-N122 PolarHBondContact OG1-O 3.36Å; G95-N122 WeakPolarHBondContact CA-O 3.37Å; G95-N122 PolarHBondContact N-O 2.92Å; N122-T124 VanDerWaalsContact C-N 3.34Å
123T88.2Confident84.2Confident119 Ų11971 Ų7173%0.7340%0.4SS*.THydrogen-bonded Turntrans-83.7-9179.651.40000113.5A121 L125A121-T123 PolarHBondContact O-N 3.28Å; A121-T123 VanDerWaalsContact O-N 3.16Å; T123-L125 PolarHBondContact O-N 2.87Å
124T88.9Confident84.2Confident47 Ų4769.4 Ų69.429%0.28839%0.392SS..SBendtrans-66.1130.7179.3-54.70000109.5T93 V94 V120 A121 N122T93-T124 WeakPolarHBondContact CA-O 3.5Å; V94-T124 WeakPolarHBondContact CG2-O 3.34Å; V94-T124 PolarHBondContact N-O 2.99Å; V120-T124 HydrophobicContact CG1-CG2 4.09Å; A121-T124 WeakPolarHBondContact O-CB 3.44Å; A121-T124 PolarHBondContact O-N 3.38Å; A121-T124 VanDerWaalsContact O-N 3.12Å; A121-T124 PolarHBondContact O-OG1 3.37Å; N122-T124 VanDerWaalsContact C-N 3.34Å
125L88.3Confident84.3Confident96 Ų9670.4 Ų70.450%0.50339%0.393SS..BIsolated β-bridgetrans-63.7140.4174.4-68.8172.7000109.8T93 T123 D127 A128 L129T93-L125 HydrophobicContact CG2-CD2 4.34Å; T123-L125 PolarHBondContact O-N 2.87Å; L125-D127 PolarHBondContact O-N 3.46Å; L125-A128 PolarHBondContact O-N 2.96Å; L125-L129 PolarHBondContact O-N 3.02Å
126L86.6Confident84.6Confident0 Ų067.8 Ų67.80%037%0.372CS..Hα-helixtrans-67.2-28.1-178.8-155.580.1000112.4L87 M92 V94 L97 A128 L129 L130L87-L126 HydrophobicContact CB-CD2 4.3Å; L87-L126 HydrophobicContact CD1-CD2 3.78Å; L87-L126 HydrophobicContact CD2-CD2 3.9Å; L87-L126 HydrophobicContact CG-CD2 4.2Å; M92-L126 HydrophobicContact CE-CB 3.73Å; M92-L126 HydrophobicContact CE-CD2 2.98Å; M92-L126 HydrophobicContact CE-CG 3.89Å; M92-L126 HydrophobicContact CG-CB 4.01Å; M92-L126 PolarHBondContact O-N 3.29Å; M92-L126 VanDerWaalsContact O-N 3.08Å; M92-L126 HydrophobicContact SD-CD2 4.34Å; V94-L126 HydrophobicContact CG2-CD1 3.94Å; L97-L126 HydrophobicContact CD2-CD1 3.84Å; L97-L126 HydrophobicContact CD2-CD2 4.26Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 2.85Å; L126-L129 HydrophobicContact CD1-CB 4.44Å; L126-L129 HydrophobicContact CD1-CD2 3.9Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L129 VanDerWaalsContact O-N 3.09Å; L126-L130 HydrophobicContact CD2-CD1 3.98Å; L126-L130 HydrophobicContact CD2-CG 4.34Å; L126-L130 HydrophobicContact CG-CD1 4.13Å; L126-L130 HydrophobicContact CG-CG 4.25Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.48Å
127D84.3Confident85Confident58 Ų5862 Ų6231%0.3134%0.341SS..Hα-helixtrans-56.2-44.2176.5-159.239.6000112.6P89 L125 L129 L130 E131P89-D127 HydrophobicContact CB-CB 3.98Å; P89-D127 PolarHBondContact O-N 3.21Å; L125-D127 PolarHBondContact O-N 3.46Å; D127-L129 VanDerWaalsContact C-N 3.32Å; D127-L129 PolarHBondContact O-N 3.47Å; D127-L130 PolarHBondContact O-N 2.72Å; D127-E131 WeakPolarHBondContact O-CG 3.49Å
128A83.1Confident85.4Confident54 Ų5460.1 Ų60.145%0.44632%0.321SS..Hα-helixtrans-67.6-32.1176.800000112.5L125 L126L125-A128 PolarHBondContact O-N 2.96Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 2.85Å
129L83.7Confident85.2Confident7 Ų756.6 Ų56.64%0.03731%0.307CS..Hα-helixtrans-72.4-34.7177.1-17464.7000111.8V94 L112 V120 L125 L126 D127 E131 T132 F134V94-L129 HydrophobicContact CG2-CD2 3.75Å; L112-L129 HydrophobicContact CD1-CD2 4.2Å; L112-L129 HydrophobicContact CD2-CD2 4.34Å; V120-L129 HydrophobicContact CG1-CD1 4.36Å; V120-L129 HydrophobicContact CG2-CD1 3.89Å; L125-L129 PolarHBondContact O-N 3.02Å; L126-L129 HydrophobicContact CD1-CB 4.44Å; L126-L129 HydrophobicContact CD1-CD2 3.9Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L129 VanDerWaalsContact O-N 3.09Å; D127-L129 VanDerWaalsContact C-N 3.32Å; D127-L129 PolarHBondContact O-N 3.47Å; L129-E131 PolarHBondContact O-N 3.41Å; L129-T132 PolarHBondContact O-N 3.26Å; L129-T132 PolarHBondContact O-OG1 3.14Å; L129-F134 HydrophobicContact CD1-CB 3.74Å; L129-F134 HydrophobicContact CD1-CD1 4.37Å; L129-F134 HydrophobicContact CD1-CG 4.13Å; L129-F134 HydrophobicContact CD2-CB 4.45Å; L129-F134 HydrophobicContact CD2-CD1 4.18Å; L129-F134 HydrophobicContact CD2-CD2 4.17Å; L129-F134 HydrophobicContact CD2-CE1 4.47Å; L129-F134 HydrophobicContact CD2-CE2 4.45Å; L129-F134 HydrophobicContact CD2-CG 4.01Å; L129-F134 HydrophobicContact CG-CB 4.09Å; L129-F134 HydrophobicContact CG-CD1 3.8Å; L129-F134 HydrophobicContact CG-CE1 4.36Å; L129-F134 HydrophobicContact CG-CG 3.9Å
130L81.9Confident84.7Confident16 Ų1655.1 Ų55.18%0.08431%0.313CS..THydrogen-bonded Turntrans-74.2-7.3-179.6-72.2164.3000113.7L63 L70 P89 L126 D127 T132 F134 A147L63-L130 HydrophobicContact CD1-CD2 3.51Å; L63-L130 HydrophobicContact CD2-CD2 4.34Å; L70-L130 HydrophobicContact CD1-CD1 3.99Å; P89-L130 HydrophobicContact CB-CD1 3.88Å; P89-L130 HydrophobicContact CG-CD1 3.62Å; L126-L130 HydrophobicContact CD2-CD1 3.98Å; L126-L130 HydrophobicContact CD2-CG 4.34Å; L126-L130 HydrophobicContact CG-CD1 4.13Å; L126-L130 HydrophobicContact CG-CG 4.25Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.48Å; D127-L130 PolarHBondContact O-N 2.72Å; L130-T132 VanDerWaalsContact C-N 3.29Å; L130-F134 HydrophobicContact CD2-CE1 4.1Å; L130-A147 VanDerWaalsContact O-CB 3.32Å; L130-A147 WeakPolarHBondContact O-CB 3.34Å
131E80.4Confident84.3Confident126 Ų12659.6 Ų59.659%0.58933%0.333SS*.THydrogen-bonded Turntrans-76.3-21.1173.2-53.3-153.1124.500112.9D127 L129 K150D127-E131 WeakPolarHBondContact O-CG 3.49Å; L129-E131 PolarHBondContact O-N 3.41Å; E131-K150 IonicContact OE1-NZ 2.75Å; E131-K150 PolarHBondContact OE1-NZ 2.87Å
132T81.6Confident84.1Confident66 Ų6660.1 Ų60.141%0.40533%0.331SS..SBendtrans-123.8155.7-178.456.80000110.2L129 L130L129-T132 PolarHBondContact O-N 3.26Å; L129-T132 PolarHBondContact O-OG1 3.14Å; L130-T132 VanDerWaalsContact C-N 3.29Å
133D84.2Confident83.9Confident93 Ų9356.8 Ų56.850%0.49731%0.311SS..  trans-65.8141.7167.4-63.5-31.4000109.9A115 S146 A147A115-D133 WeakPolarHBondContact CB-O 3.38Å; A115-D133 PolarHBondContact N-O 3.28Å; D133-S146 WeakPolarHBondContact OD1-CA 3.43Å; D133-A147 PolarHBondContact OD1-N 2.93Å
134F86.6Confident83.5Confident2 Ų254.5 Ų54.51%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-137.8158.5-178.367.1-94000111.1L63 L112 L113 L129 L130 V145L63-F134 HydrophobicContact CD1-CE1 4.05Å; L63-F134 HydrophobicContact CD1-CZ 4.26Å; L112-F134 HydrophobicContact CD2-CD2 3.34Å; L112-F134 HydrophobicContact CD2-CE2 3.43Å; L112-F134 VanDerWaalsContact CD2-CE2 3.43Å; L112-F134 HydrophobicContact CD2-CG 4.49Å; L113-F134 WeakPolarHBondContact O-CB 3.46Å; L129-F134 HydrophobicContact CD1-CB 3.74Å; L129-F134 HydrophobicContact CD1-CD1 4.37Å; L129-F134 HydrophobicContact CD1-CG 4.13Å; L129-F134 HydrophobicContact CD2-CB 4.45Å; L129-F134 HydrophobicContact CD2-CD1 4.18Å; L129-F134 HydrophobicContact CD2-CD2 4.17Å; L129-F134 HydrophobicContact CD2-CE1 4.47Å; L129-F134 HydrophobicContact CD2-CE2 4.45Å; L129-F134 HydrophobicContact CD2-CG 4.01Å; L129-F134 HydrophobicContact CG-CB 4.09Å; L129-F134 HydrophobicContact CG-CD1 3.8Å; L129-F134 HydrophobicContact CG-CE1 4.36Å; L129-F134 HydrophobicContact CG-CG 3.9Å; L130-F134 HydrophobicContact CD2-CE1 4.1Å; F134-V145 HydrophobicContact CD1-CB 4.46Å; F134-V145 HydrophobicContact CD2-CB 4Å; F134-V145 HydrophobicContact CD2-CG2 4.08Å; F134-V145 HydrophobicContact CE1-CB 4.1Å; F134-V145 HydrophobicContact CE1-CG1 3.99Å; F134-V145 HydrophobicContact CE2-CB 3.61Å; F134-V145 HydrophobicContact CE2-CG1 4.01Å; F134-V145 HydrophobicContact CE2-CG2 3.57Å; F134-V145 HydrophobicContact CG-CB 4.42Å; F134-V145 HydrophobicContact CZ-CB 3.67Å; F134-V145 HydrophobicContact CZ-CG1 3.57Å; F134-V145 HydrophobicContact CZ-CG2 4.04Å; F134-V145 PolarHBondContact N-O 3.17Å; F134-V145 PolarHBondContact O-N 2.93Å
135Q87.1Confident83.3Confident50 Ų5052.3 Ų52.323%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-111.4127.5-179.3-48.6179.28.100109.7L113 V142 Y143 N144L113-Q135 HydrophobicContact CB-CB 4.23Å; L113-Q135 PolarHBondContact N-O 3.22Å; L113-Q135 PolarHBondContact O-N 3.05Å; Q135-V142 HydrophobicContact CB-CG1 4Å; Q135-Y143 CarbonylContact C-O 3.52Å; Q135-Y143 VanDerWaalsContact CA-O 3.31Å; Q135-Y143 WeakPolarHBondContact CA-O 3.36Å; Q135-N144 WeakPolarHBondContact CG-OD1 3.46Å
136L86.6Confident82.6Confident1 Ų150.8 Ų50.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-98.8118.5174.3176.863.4000108.9L61 V74 L101 L112 I138 Y143 V145L61-L136 HydrophobicContact CD1-CD2 4.45Å; V74-L136 HydrophobicContact CG1-CD2 4.22Å; V74-L136 HydrophobicContact CG2-CD2 3.67Å; L101-L136 HydrophobicContact CD1-CD1 4.15Å; L101-L136 HydrophobicContact CD1-CD2 4.49Å; L112-L136 HydrophobicContact CD2-CB 3.99Å; L112-L136 HydrophobicContact CD2-CD1 3.72Å; L112-L136 HydrophobicContact CD2-CG 4.44Å; L112-L136 HydrophobicContact CG-CD1 3.9Å; L136-I138 HydrophobicContact CD1-CG1 4.39Å; L136-I138 HydrophobicContact CD2-CD1 3.94Å; L136-I138 HydrophobicContact CD2-CG1 4.37Å; L136-I138 HydrophobicContact CG-CD1 4.16Å; L136-I138 HydrophobicContact CG-CG1 4.04Å; L136-Y143 PolarHBondContact N-O 2.92Å; L136-Y143 WeakPolarHBondContact O-CB 3.24Å; L136-Y143 WeakPolarHBondContact O-CD2 3.38Å; L136-Y143 PolarHBondContact O-N 3.16Å; L136-V145 HydrophobicContact CB-CG2 4.11Å
137V86.1Confident81.8Confident22 Ų2252 Ų5213%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-103.4119178.3-174.60000109.3A110 S111 L113 Q141 V142A110-V137 CarbonylContact C-O 3.51Å; A110-V137 VanDerWaalsContact CA-O 3.29Å; A110-V137 WeakPolarHBondContact CA-O 3.33Å; S111-V137 PolarHBondContact N-O 3.07Å; S111-V137 PolarHBondContact O-N 2.98Å; L113-V137 HydrophobicContact CD1-CG2 3.6Å; L113-V137 HydrophobicContact CG-CG2 3.92Å; V137-Q141 CarbonylContact C-O 3.55Å; V137-Q141 VanDerWaalsContact CA-O 3.28Å; V137-Q141 WeakPolarHBondContact CA-O 3.34Å; V137-V142 HydrophobicContact CG2-CG1 4.35Å; V137-V142 HydrophobicContact CG2-CG2 4.12Å
138I85.1Confident80.9Confident3 Ų351 Ų512%0.01529%0.285CS..EExtended strand (participates in β ladder)trans-124.1118.9176-55.9174.1000108.3V74 P77 A108 A110 L136 N140 Q141 Y143V74-I138 HydrophobicContact CG1-CD1 3.33Å; P77-I138 HydrophobicContact CG-CG2 3.92Å; A108-I138 HydrophobicContact CB-CG2 3.96Å; A110-I138 HydrophobicContact CB-CG1 4.3Å; L136-I138 HydrophobicContact CD1-CG1 4.39Å; L136-I138 HydrophobicContact CD2-CD1 3.94Å; L136-I138 HydrophobicContact CD2-CG1 4.37Å; L136-I138 HydrophobicContact CG-CD1 4.16Å; L136-I138 HydrophobicContact CG-CG1 4.04Å; I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.1Å; I138-N140 VanDerWaalsContact O-N 3.16Å; I138-Q141 PolarHBondContact N-O 2.71Å; I138-Q141 PolarHBondContact O-N 3.28Å; I138-Y143 HydrophobicContact CB-CE2 4.14Å; I138-Y143 HydrophobicContact CD1-CD2 4.23Å; I138-Y143 HydrophobicContact CD1-CE2 3.96Å; I138-Y143 HydrophobicContact CG1-CD2 4.39Å; I138-Y143 HydrophobicContact CG1-CE2 4.22Å
139N79.6Confident79.6Confident73 Ų7357.3 Ų57.339%0.3931%0.305SS..THydrogen-bonded Turntrans45.449.1175-69.5-9.9000114.2G107 A109 Q141G107-N139 PolarHBondContact O-ND2 3.02Å; G107-N139 PolarHBondContact O-OD1 3.44Å; A109-N139 WeakPolarHBondContact CB-OD1 3.41Å; A109-N139 PolarHBondContact N-OD1 3.3Å; A109-N139 PolarHBondContact O-N 3.02Å; N139-Q141 VanDerWaalsContact C-N 3.29Å; N139-Q141 PolarHBondContact O-N 2.81Å
140N73.4Confident78.3Confident158 Ų15863.3 Ų63.385%0.84533%0.331SS*.THydrogen-bonded Turntrans70.50.1-175.5-82.616.3000117.4I138I138-N140 VanDerWaalsContact C-N 3.31Å; I138-N140 PolarHBondContact O-N 3.1Å; I138-N140 VanDerWaalsContact O-N 3.16Å
141Q79.1Confident76.5Confident112 Ų11268.5 Ų68.552%0.52336%0.363SS..EExtended strand (participates in β ladder)trans-89.8129.5168.2-63.5-171.722.100109.9V137 I138 N139 Y143V137-Q141 CarbonylContact C-O 3.55Å; V137-Q141 VanDerWaalsContact CA-O 3.28Å; V137-Q141 WeakPolarHBondContact CA-O 3.34Å; I138-Q141 PolarHBondContact N-O 2.71Å; I138-Q141 PolarHBondContact O-N 3.28Å; N139-Q141 VanDerWaalsContact C-N 3.29Å; N139-Q141 PolarHBondContact O-N 2.81Å; Q141-Y143 HydrophobicContact CB-CE2 4.05Å; Q141-Y143 PolarHBondContact OE1-OH 3.43Å
142V83.4Confident74.8Confident65 Ų6570 Ų7039%0.39437%0.374SS..EExtended strand (participates in β ladder)trans-101.4122.6177.5-174.20000108.3Q135 V137Q135-V142 HydrophobicContact CB-CG1 4Å; V137-V142 HydrophobicContact CG2-CG1 4.35Å; V137-V142 HydrophobicContact CG2-CG2 4.12Å
143Y83.4Confident73Confident24 Ų2470.4 Ų70.49%0.09438%0.376CS..EExtended strand (participates in β ladder)trans-110.8123.9175.7-61.7-71.8000109.8L61 P75 Q135 L136 I138 Q141L61-Y143 VanDerWaalsContact CD1-CB 3.44Å; L61-Y143 HydrophobicContact CD1-CD1 4.02Å; L61-Y143 HydrophobicContact CD1-CD2 4.2Å; L61-Y143 HydrophobicContact CD1-CG 3.63Å; L61-Y143 HydrophobicContact CD2-CD1 4.16Å; L61-Y143 HydrophobicContact CG-CD1 3.96Å; L61-Y143 HydrophobicContact CG-CG 4.01Å; P75-Y143 HydrophobicContact CG-CE1 3.78Å; Q135-Y143 CarbonylContact C-O 3.52Å; Q135-Y143 VanDerWaalsContact CA-O 3.31Å; Q135-Y143 WeakPolarHBondContact CA-O 3.36Å; L136-Y143 PolarHBondContact N-O 2.92Å; L136-Y143 WeakPolarHBondContact O-CB 3.24Å; L136-Y143 WeakPolarHBondContact O-CD2 3.38Å; L136-Y143 PolarHBondContact O-N 3.16Å; I138-Y143 HydrophobicContact CB-CE2 4.14Å; I138-Y143 HydrophobicContact CD1-CD2 4.23Å; I138-Y143 HydrophobicContact CD1-CE2 3.96Å; I138-Y143 HydrophobicContact CG1-CD2 4.39Å; I138-Y143 HydrophobicContact CG1-CE2 4.22Å; Q141-Y143 HydrophobicContact CB-CE2 4.05Å; Q141-Y143 PolarHBondContact OE1-OH 3.43Å
144N80.9Confident71.3Confident72 Ų7269.1 Ų69.139%0.38537%0.374SS..EExtended strand (participates in β ladder)trans-82.6121.9172.8-67.4-27000108.7S59 L61 Q135S59-N144 PolarHBondContact O-N 2.87Å; S59-N144 VanDerWaalsContact O-N 3.09Å; L61-N144 PolarHBondContact N-O 3.45Å; Q135-N144 WeakPolarHBondContact CG-OD1 3.46Å
145V82.9Confident69.8Low1 Ų173.7 Ų73.71%0.00641%0.407CS..EExtended strand (participates in β ladder)trans-105.5108.7176.4-168.30000108L61 L63 L72 F134 L136L61-V145 HydrophobicContact CB-CG2 4.21Å; L61-V145 HydrophobicContact CD1-CG2 4.38Å; L61-V145 WeakPolarHBondContact O-CA 3.43Å; L63-V145 HydrophobicContact CD1-CG1 3.49Å; L63-V145 VanDerWaalsContact CD1-CG1 3.49Å; L63-V145 HydrophobicContact CG-CG1 3.75Å; L72-V145 HydrophobicContact CD1-CG1 3.75Å; L72-V145 HydrophobicContact CD1-CG2 4.32Å; F134-V145 HydrophobicContact CD1-CB 4.46Å; F134-V145 HydrophobicContact CD2-CB 4Å; F134-V145 HydrophobicContact CD2-CG2 4.08Å; F134-V145 HydrophobicContact CE1-CB 4.1Å; F134-V145 HydrophobicContact CE1-CG1 3.99Å; F134-V145 HydrophobicContact CE2-CB 3.61Å; F134-V145 HydrophobicContact CE2-CG1 4.01Å; F134-V145 HydrophobicContact CE2-CG2 3.57Å; F134-V145 HydrophobicContact CG-CB 4.42Å; F134-V145 HydrophobicContact CZ-CB 3.67Å; F134-V145 HydrophobicContact CZ-CG1 3.57Å; F134-V145 HydrophobicContact CZ-CG2 4.04Å; F134-V145 PolarHBondContact N-O 3.17Å; F134-V145 PolarHBondContact O-N 2.93Å; L136-V145 HydrophobicContact CB-CG2 4.11Å
146S73.9Confident68.3Low64 Ų6478.8 Ų78.845%0.44843%0.43SS..EExtended strand (participates in β ladder)trans-82.1129.3171.550.80000110L61 D133L61-S146 PolarHBondContact O-N 2.86Å; D133-S146 WeakPolarHBondContact OD1-CA 3.43Å
147A69.4Low66.7Low25 Ų2584.9 Ų84.921%0.20746%0.459CS..PPolyproline II helixtrans-66.5138.3173.200000108.8L130 D133 E149L130-A147 VanDerWaalsContact O-CB 3.32Å; L130-A147 WeakPolarHBondContact O-CB 3.34Å; D133-A147 PolarHBondContact OD1-N 2.93Å; A147-E149 PolarHBondContact O-N 3.13Å
148P65.6Low65.5Low38 Ų3885.9 Ų85.925%0.24747%0.469CS..PPolyproline II helixtrans-66.5132.6174.625.3-20.7000107.4L63 L70 K150L63-P148 HydrophobicContact CB-CG 3.98Å; L70-P148 HydrophobicContact CD2-CG 3.69Å; P148-K150 PolarHBondContact O-N 3.44Å
149E57.4Low64.6Low185 Ų18594.5 Ų94.586%0.86450%0.502SS*.  trans-44.5114.5176.7-155.9173.7-157.500107.8A147 V151A147-E149 PolarHBondContact O-N 3.13Å; E149-V151 VanDerWaalsContact C-N 3.3Å; E149-V151 PolarHBondContact O-N 3.39Å
150K56.3Low64.2Low133 Ų13396 Ų9658%0.57851%0.51SS*.  trans-54.8101.8179.9-84.1-178.2-179177.10105.5E131 P148 I152E131-K150 IonicContact OE1-NZ 2.75Å; E131-K150 PolarHBondContact OE1-NZ 2.87Å; P148-K150 PolarHBondContact O-N 3.44Å; K150-I152 PolarHBondContact O-N 2.96Å
151V44Very low64.3Low126 Ų12694 Ų9476%0.76450%0.497SS*.  trans-60.7100.3170.4176.90000103.7E149 T153E149-V151 VanDerWaalsContact C-N 3.3Å; E149-V151 PolarHBondContact O-N 3.39Å; V151-T153 HydrophobicContact CG1-CG2 4.42Å; V151-T153 PolarHBondContact O-N 2.89Å
152I44Very low64.1Low157 Ų15793.9 Ų93.981%0.80550%0.496SS*.  trans-64.187.1169.5-57.5172.6000103.7K150 S154K150-I152 PolarHBondContact O-N 2.96Å; I152-S154 PolarHBondContact O-N 2.95Å; I152-S154 VanDerWaalsContact O-N 3.11Å
153T44.4Very low63.9Low75 Ų7595.5 Ų95.546%0.4650%0.503SS..  trans-54.6120.216732.30000105.2V151 S155V151-T153 HydrophobicContact CG1-CG2 4.42Å; V151-T153 PolarHBondContact O-N 2.89Å; T153-S155 PolarHBondContact O-N 2.75Å
154S46.9Very low63.7Low65 Ų6599.9 Ų99.946%0.45553%0.525SS..  trans-46.7136.6-179.861.20000108.9I152 E156 H157 A158I152-S154 PolarHBondContact O-N 2.95Å; I152-S154 VanDerWaalsContact O-N 3.11Å; S154-E156 PolarHBondContact O-N 3.3Å; S154-H157 PolarHBondContact O-N 3.11Å; S154-A158 PolarHBondContact O-N 2.85Å
155S56Low63.7Low99 Ų99103.9 Ų103.969%0.69254%0.539SS*.Hα-helixtrans-53.1-19.3-171.857.40000114.3T153T153-S155 PolarHBondContact O-N 2.75Å
156E55.7Low63.7Low156 Ų156109.2 Ų109.273%0.72956%0.564SS**Hα-helixtrans-76-42174.1-64.3-175.9152.100113.2S154 A158 R159 D160S154-E156 PolarHBondContact O-N 3.3Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-R159 PolarHBondContact O-N 3.44Å; E156-D160 PolarHBondContact O-N 2.83Å
157H53.8Low64.2Low129 Ų129110.7 Ų110.760%0.59757%0.57SS**Hα-helixtrans-73.6-24.7176.8-87.459.9000112.9S154 R159 M161S154-H157 PolarHBondContact O-N 3.11Å; H157-R159 VanDerWaalsContact C-N 3.35Å; H157-M161 WeakPolarHBondContact O-CB 3.4Å; H157-M161 PolarHBondContact O-N 3.35Å
158A60.8Low65Low43 Ų43113.8 Ų113.836%0.35559%0.586SS.*Hα-helixtrans-65.3-38.4173.300000112S154 E156 E162S154-A158 PolarHBondContact O-N 2.85Å; E156-A158 VanDerWaalsContact C-N 3.33Å; A158-E162 WeakPolarHBondContact O-CB 3.29Å; A158-E162 PolarHBondContact O-N 3.18Å
159R64.6Low65.7Low185 Ų185118.4 Ų118.470%0.69860%0.604SS**Hα-helixtrans-68.5-46.1178.2-82.4-178.5150.1172.9-5.7113E156 H157 M161 E162 D163E156-R159 PolarHBondContact O-N 3.44Å; H157-R159 VanDerWaalsContact C-N 3.35Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 2.89Å; R159-E162 WeakPolarHBondContact O-CB 3.4Å; R159-E162 PolarHBondContact O-N 3.32Å; R159-D163 PolarHBondContact O-N 3.44Å
160D72.9Confident66.9Low104 Ų104114.2 Ų114.256%0.55659%0.587SS**Hα-helixtrans-63.2-37.3179.7-169.949.8000112.1E156 D163 M164E156-D160 PolarHBondContact O-N 2.83Å; D160-D163 PolarHBondContact O-N 3.48Å; D160-M164 WeakPolarHBondContact O-CB 3.2Å; D160-M164 PolarHBondContact O-N 3.4Å
161M75.3Confident68.2Low116 Ų116113 Ų11357%0.57159%0.587SS**Hα-helixtrans-74-30.9176.1-171137.454.800112.9H157 R159 K165H157-M161 WeakPolarHBondContact O-CB 3.4Å; H157-M161 PolarHBondContact O-N 3.35Å; R159-M161 VanDerWaalsContact C-N 3.3Å; R159-M161 PolarHBondContact O-N 2.89Å; M161-K165 VanDerWaalsContact O-CB 3.29Å; M161-K165 WeakPolarHBondContact O-CB 3.47Å; M161-K165 PolarHBondContact O-N 3.29Å
162E74.4Confident69.9Low110 Ų110112 Ų11251%0.51457%0.573SS.*Hα-helixtrans-65.2-46.5170.4-179.9165.4-147.400110.5A158 R159 M164 K165 H166A158-E162 WeakPolarHBondContact O-CB 3.29Å; A158-E162 PolarHBondContact O-N 3.18Å; R159-E162 WeakPolarHBondContact O-CB 3.4Å; R159-E162 PolarHBondContact O-N 3.32Å; E162-M164 PolarHBondContact O-N 3.46Å; E162-K165 WeakPolarHBondContact O-CB 3.26Å; E162-K165 PolarHBondContact O-N 2.79Å; E162-K165 VanDerWaalsContact O-N 3.16Å; E162-H166 WeakPolarHBondContact CG-CE1 3.41Å; E162-H166 PolarHBondContact O-N 3.46Å; E162-H166 PolarHBondContact O-ND1 2.83Å; E162-H166 IonicContact OE1-CE1 3.49Å
163D79.7Confident71.5Confident99 Ų99105.8 Ų105.853%0.52955%0.545SS..Hα-helixtrans-61.3-42.7175.3-70.1-24.2000111.9R159 D160 K165 H166 V167R159-D163 PolarHBondContact O-N 3.44Å; D160-D163 PolarHBondContact O-N 3.48Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 3.4Å; D163-H166 WeakPolarHBondContact O-CB 3.43Å; D163-H166 PolarHBondContact O-N 3.48Å; D163-V167 WeakPolarHBondContact O-CG2 3.44Å; D163-V167 PolarHBondContact O-N 3.36Å
164M79.8Confident73.1Confident115 Ų115105.3 Ų105.357%0.56755%0.549SS*.Hα-helixtrans-62-40.5174.3-169.9-178-55.800112D160 E162 H166 V167 V168D160-M164 WeakPolarHBondContact O-CB 3.2Å; D160-M164 PolarHBondContact O-N 3.4Å; E162-M164 PolarHBondContact O-N 3.46Å; M164-H166 VanDerWaalsContact C-N 3.35Å; M164-V167 PolarHBondContact O-N 2.81Å; M164-V168 WeakPolarHBondContact O-CB 3.49Å; M164-V168 VanDerWaalsContact O-CG2 3.29Å; M164-V168 WeakPolarHBondContact O-CG2 3.3Å; M164-V168 PolarHBondContact O-N 3.41Å
165K79.6Confident74.6Confident157 Ų157107.5 Ų107.568%0.68356%0.555SS**Hα-helixtrans-63.8-40.1174.4-178.1-174.5175-170.30111.3M161 E162 D163 V168 H169M161-K165 VanDerWaalsContact O-CB 3.29Å; M161-K165 WeakPolarHBondContact O-CB 3.47Å; M161-K165 PolarHBondContact O-N 3.29Å; E162-K165 WeakPolarHBondContact O-CB 3.26Å; E162-K165 PolarHBondContact O-N 2.79Å; E162-K165 VanDerWaalsContact O-N 3.16Å; D163-K165 VanDerWaalsContact C-N 3.33Å; D163-K165 PolarHBondContact O-N 3.4Å; K165-V168 PolarHBondContact O-N 2.98Å; K165-H169 VanDerWaalsContact O-CB 3.26Å; K165-H169 WeakPolarHBondContact O-CB 3.29Å; K165-H169 PolarHBondContact O-N 2.89Å
166H82.9Confident75.4Confident113 Ų113107.5 Ų107.552%0.52354%0.543SS..Hα-helixtrans-61.1-45.2174.1-74.495.9000111.4E162 D163 M164 H169 L170E162-H166 WeakPolarHBondContact CG-CE1 3.41Å; E162-H166 PolarHBondContact O-N 3.46Å; E162-H166 PolarHBondContact O-ND1 2.83Å; E162-H166 IonicContact OE1-CE1 3.49Å; D163-H166 WeakPolarHBondContact O-CB 3.43Å; D163-H166 PolarHBondContact O-N 3.48Å; M164-H166 VanDerWaalsContact C-N 3.35Å; H166-H169 PolarHBondContact O-N 2.8Å; H166-L170 WeakPolarHBondContact O-CB 3.33Å; H166-L170 PolarHBondContact O-N 3.37Å
167V84.8Confident76.2Confident94 Ų94102.9 Ų102.957%0.5752%0.524SS*.Hα-helixtrans-65.1-43.3177.7174.80000111.6D163 M164 H169 L170 L171D163-V167 WeakPolarHBondContact O-CG2 3.44Å; D163-V167 PolarHBondContact O-N 3.36Å; M164-V167 PolarHBondContact O-N 2.81Å; V167-H169 VanDerWaalsContact C-N 3.34Å; V167-L170 PolarHBondContact O-N 3.33Å; V167-L171 WeakPolarHBondContact O-CB 3.16Å; V167-L171 PolarHBondContact O-N 3.05Å
168V86.3Confident77.1Confident91 Ų91100 Ų10055%0.55252%0.516SS*.Hα-helixtrans-64.9-40176.7171.70000111M164 K165 L171 H172M164-V168 WeakPolarHBondContact O-CB 3.49Å; M164-V168 VanDerWaalsContact O-CG2 3.29Å; M164-V168 WeakPolarHBondContact O-CG2 3.3Å; M164-V168 PolarHBondContact O-N 3.41Å; K165-V168 PolarHBondContact O-N 2.98Å; V168-L171 PolarHBondContact O-N 2.85Å; V168-H172 VanDerWaalsContact O-CB 3.25Å; V168-H172 WeakPolarHBondContact O-CB 3.28Å; V168-H172 PolarHBondContact O-N 3.32Å
169H80.5Confident77.8Confident135 Ų135104.6 Ų104.663%0.62553%0.53SS*.Hα-helixtrans-64.4-42.9174.5-177.3-94.2000111.3K165 H166 V167 L171 H172 A173K165-H169 VanDerWaalsContact O-CB 3.26Å; K165-H169 WeakPolarHBondContact O-CB 3.29Å; K165-H169 PolarHBondContact O-N 2.89Å; H166-H169 PolarHBondContact O-N 2.8Å; V167-H169 VanDerWaalsContact C-N 3.34Å; H169-L171 VanDerWaalsContact C-N 3.33Å; H169-L171 PolarHBondContact O-N 3.24Å; H169-H172 PolarHBondContact O-N 2.75Å; H169-A173 WeakPolarHBondContact O-CB 3.36Å; H169-A173 PolarHBondContact O-N 3.36Å
170L82.8Confident78.3Confident97 Ų97101.5 Ų101.551%0.50852%0.524SS..Hα-helixtrans-62.8-40175.5-175.164.8000111.6H166 V167 A174 P328H166-L170 WeakPolarHBondContact O-CB 3.33Å; H166-L170 PolarHBondContact O-N 3.37Å; V167-L170 PolarHBondContact O-N 3.33Å; L170-A174 VanDerWaalsContact O-CB 3.28Å; L170-A174 WeakPolarHBondContact O-CB 3.25Å; L170-A174 PolarHBondContact O-N 3.47Å; L170-P328 HydrophobicContact CD1-CB 4.44Å; L170-P328 HydrophobicContact CD1-CG 4.41Å
171L82.8Confident78.3Confident108 Ų10897.5 Ų97.557%0.56550%0.502SS*.Hα-helixtrans-69.4-44.7176.9-161.289.5000111.4V167 V168 H169 A173 A174 L175V167-L171 WeakPolarHBondContact O-CB 3.16Å; V167-L171 PolarHBondContact O-N 3.05Å; V168-L171 PolarHBondContact O-N 2.85Å; H169-L171 VanDerWaalsContact C-N 3.33Å; H169-L171 PolarHBondContact O-N 3.24Å; L171-A173 VanDerWaalsContact C-N 3.3Å; L171-A173 PolarHBondContact O-N 3.28Å; L171-A174 PolarHBondContact O-N 3.49Å; L171-L175 HydrophobicContact CD2-CD1 4.03Å; L171-L175 HydrophobicContact CG-CD1 4Å; L171-L175 WeakPolarHBondContact O-CB 3.25Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 2.9Å
172H80.5Confident78.7Confident105 Ų10596.9 Ų96.949%0.48650%0.5SS..Hα-helixtrans-60.9-42.9175.1178.1-84.6000110.7V168 H169 H176V168-H172 VanDerWaalsContact O-CB 3.25Å; V168-H172 WeakPolarHBondContact O-CB 3.28Å; V168-H172 PolarHBondContact O-N 3.32Å; H169-H172 PolarHBondContact O-N 2.75Å; H172-H176 AromaticContact CD2-CE1 3.46Å; H172-H176 PolarHBondContact CD2-CE1 3.27Å; H172-H176 VanDerWaalsContact CD2-CE1 3.46Å; H172-H176 AromaticContact CD2-ND1 3.48Å; H172-H176 PolarHBondContact CD2-ND1 3.35Å; H172-H176 AromaticContact CE1-ND1 3.78Å; H172-H176 AromaticContact CG-ND1 3.78Å; H172-H176 AromaticContact ND1-ND1 3.96Å; H172-H176 AromaticContact NE2-CE1 3.52Å; H172-H176 AromaticContact NE2-ND1 3.5Å; H172-H176 WeakPolarHBondContact O-CB 3.42Å; H172-H176 PolarHBondContact O-N 3.41Å; H172-H176 PolarHBondContact O-ND1 2.94Å
173A77.4Confident79.3Confident26 Ų2697 Ų9722%0.21550%0.504CS..Hα-helixtrans-60.5-51.6172.700000110.2H169 L171 L175 H176 L177H169-A173 WeakPolarHBondContact O-CB 3.36Å; H169-A173 PolarHBondContact O-N 3.36Å; L171-A173 VanDerWaalsContact C-N 3.3Å; L171-A173 PolarHBondContact O-N 3.28Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-L175 PolarHBondContact O-N 3.16Å; A173-H176 PolarHBondContact O-N 3.41Å; A173-L177 HydrophobicContact CB-CD1 4.15Å; A173-L177 WeakPolarHBondContact O-CA 3.46Å; A173-L177 WeakPolarHBondContact O-CB 3.12Å; A173-L177 VanDerWaalsContact O-CD1 3.25Å; A173-L177 WeakPolarHBondContact O-CD1 3.41Å; A173-L177 PolarHBondContact O-N 3.29Å
174A77.5Confident79.6Confident64 Ų6495.5 Ų95.553%0.52949%0.494SS..Hα-helixtrans-61.7-36-179.400000113.7L170 L171 P178L170-A174 VanDerWaalsContact O-CB 3.28Å; L170-A174 WeakPolarHBondContact O-CB 3.25Å; L170-A174 PolarHBondContact O-N 3.47Å; L171-A174 PolarHBondContact O-N 3.49Å; A174-P178 VanDerWaalsContact O-CD 3.28Å; A174-P178 WeakPolarHBondContact O-CD 3.28Å
175L78.4Confident79.9Confident112 Ų11292.5 Ų92.559%0.58648%0.478SS*.Hα-helixtrans-75.1-38.4179.5-73.6165.8000112.7L171 A173L171-L175 HydrophobicContact CD2-CD1 4.03Å; L171-L175 HydrophobicContact CG-CD1 4Å; L171-L175 WeakPolarHBondContact O-CB 3.25Å; L171-L175 VanDerWaalsContact O-CG 3.28Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 2.9Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-L175 PolarHBondContact O-N 3.16Å
176H73.9Confident80.5Confident98 Ų9893.2 Ų93.245%0.45448%0.476SS..Hα-helixtrans-99.4-14.6-176.2-59.588.7000114.2H172 A173 H180H172-H176 AromaticContact CD2-CE1 3.46Å; H172-H176 PolarHBondContact CD2-CE1 3.27Å; H172-H176 VanDerWaalsContact CD2-CE1 3.46Å; H172-H176 AromaticContact CD2-ND1 3.48Å; H172-H176 PolarHBondContact CD2-ND1 3.35Å; H172-H176 AromaticContact CE1-ND1 3.78Å; H172-H176 AromaticContact CG-ND1 3.78Å; H172-H176 AromaticContact ND1-ND1 3.96Å; H172-H176 AromaticContact NE2-CE1 3.52Å; H172-H176 AromaticContact NE2-ND1 3.5Å; H172-H176 WeakPolarHBondContact O-CB 3.42Å; H172-H176 PolarHBondContact O-N 3.41Å; H172-H176 PolarHBondContact O-ND1 2.94Å; A173-H176 PolarHBondContact O-N 3.41Å; H176-H180 PolarHBondContact O-N 3.3Å
177L70.8Confident80.9Confident60 Ų6092.9 Ų92.931%0.31448%0.475SS..Hα-helixtrans-51.1-51.9172.3-11863.6000113A173 E179 H180 H181 L329A173-L177 HydrophobicContact CB-CD1 4.15Å; A173-L177 WeakPolarHBondContact O-CA 3.46Å; A173-L177 WeakPolarHBondContact O-CB 3.12Å; A173-L177 VanDerWaalsContact O-CD1 3.25Å; A173-L177 WeakPolarHBondContact O-CD1 3.41Å; A173-L177 PolarHBondContact O-N 3.29Å; L177-E179 VanDerWaalsContact C-N 3.31Å; L177-E179 PolarHBondContact O-N 3.45Å; L177-H180 PolarHBondContact O-N 3.35Å; L177-H181 WeakPolarHBondContact CG-NE2 3.07Å; L177-H181 VanDerWaalsContact O-CB 3.28Å; L177-H181 WeakPolarHBondContact O-CB 3.48Å; L177-H181 PolarHBondContact O-CD2 3.28Å; L177-H181 PolarHBondContact O-N 2.92Å; L177-L329 HydrophobicContact CD2-CD1 4.43Å; L177-L329 HydrophobicContact CD2-CG 4.33Å
178P72.9Confident81.2Confident68 Ų6889 Ų8944%0.44245%0.451SS..Hα-helixtrans-63-37.7-171.520.5-31.2000112.5A174 L182A174-P178 VanDerWaalsContact O-CD 3.28Å; A174-P178 WeakPolarHBondContact O-CD 3.28Å; P178-L182 WeakPolarHBondContact O-CB 3.35Å; P178-L182 VanDerWaalsContact O-CG 3.26Å; P178-L182 WeakPolarHBondContact O-CG 3.42Å; P178-L182 PolarHBondContact O-N 2.78Å; P178-L182 VanDerWaalsContact O-N 3.11Å
179E75.6Confident81.5Confident139 Ų13987 Ų8765%0.6544%0.437SS*.Hα-helixtrans-69.6-46.8178.8-64.9-161.8154.800112L177 H181 L182 L183L177-E179 VanDerWaalsContact C-N 3.31Å; L177-E179 PolarHBondContact O-N 3.45Å; E179-H181 VanDerWaalsContact C-N 3.3Å; E179-H181 PolarHBondContact O-N 3.28Å; E179-L182 PolarHBondContact O-N 2.91Å; E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 3.2Å; E179-L183 VanDerWaalsContact O-N 3.13Å
180H74.8Confident82.2Confident120 Ų12086.3 Ų86.356%0.55643%0.434SS*.Hα-helixtrans-64.1-37.7178.4-172-84.2000111.8H176 L177 L183 Q184H176-H180 PolarHBondContact O-N 3.3Å; L177-H180 PolarHBondContact O-N 3.35Å; H180-L183 PolarHBondContact O-N 3.35Å; H180-Q184 WeakPolarHBondContact O-CB 3.35Å; H180-Q184 PolarHBondContact O-N 3.37Å
181H74.6Confident82.6Confident21 Ų2188.7 Ų88.710%0.09744%0.436CS..Hα-helixtrans-64.8-44.6178-79.2-139.6000112.4L177 E179 L183 Q184 E185 L329L177-H181 WeakPolarHBondContact CG-NE2 3.07Å; L177-H181 VanDerWaalsContact O-CB 3.28Å; L177-H181 WeakPolarHBondContact O-CB 3.48Å; L177-H181 PolarHBondContact O-CD2 3.28Å; L177-H181 PolarHBondContact O-N 2.92Å; E179-H181 VanDerWaalsContact C-N 3.3Å; E179-H181 PolarHBondContact O-N 3.28Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 2.85Å; H181-Q184 PolarHBondContact O-N 3.3Å; H181-E185 WeakPolarHBondContact O-CB 3.44Å; H181-E185 PolarHBondContact O-N 3.36Å; H181-L329 WeakPolarHBondContact CE1-CD1 3.5Å; H181-L329 WeakPolarHBondContact NE2-CD1 3.48Å
182L82.7Confident83.1Confident103 Ų10384.8 Ų84.854%0.53942%0.416SS..Hα-helixtrans-64-40.8178.6-74.4171.8000111.2P178 E179 R186P178-L182 WeakPolarHBondContact O-CB 3.35Å; P178-L182 VanDerWaalsContact O-CG 3.26Å; P178-L182 WeakPolarHBondContact O-CG 3.42Å; P178-L182 PolarHBondContact O-N 2.78Å; P178-L182 VanDerWaalsContact O-N 3.11Å; E179-L182 PolarHBondContact O-N 2.91Å; L182-R186 WeakPolarHBondContact O-CB 3.3Å; L182-R186 WeakPolarHBondContact O-CG 2.81Å; L182-R186 PolarHBondContact O-N 3.48Å
183L87.2Confident83.7Confident113 Ų11384.2 Ų84.259%0.59242%0.416SS*.Hα-helixtrans-64-43.7175-70174.6000111.7E179 H180 H181 R186 Q187E179-L183 WeakPolarHBondContact O-CG 3.47Å; E179-L183 PolarHBondContact O-N 3.2Å; E179-L183 VanDerWaalsContact O-N 3.13Å; H180-L183 PolarHBondContact O-N 3.35Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 2.85Å; L183-R186 PolarHBondContact O-N 3.47Å; L183-Q187 VanDerWaalsContact O-CG 3.3Å; L183-Q187 WeakPolarHBondContact O-CG 3.28Å; L183-Q187 PolarHBondContact O-N 3.37Å
184Q85.6Confident84.4Confident67 Ų6787.5 Ų87.531%0.31343%0.43SS..Hα-helixtrans-66.6-41.8178.7-170.11765.500112.3H180 H181 Q187 L188 L319H180-Q184 WeakPolarHBondContact O-CB 3.35Å; H180-Q184 PolarHBondContact O-N 3.37Å; H181-Q184 PolarHBondContact O-N 3.3Å; Q184-Q187 PolarHBondContact O-N 3.5Å; Q184-L188 HydrophobicContact CG-CD1 4.22Å; Q184-L188 WeakPolarHBondContact O-CB 3.33Å; Q184-L188 WeakPolarHBondContact O-CG 3.44Å; Q184-L188 PolarHBondContact O-N 2.85Å; Q184-L319 HydrophobicContact CG-CD1 4.03Å
185E87.2Confident85.1Confident51 Ų5185.5 Ų85.524%0.23841%0.41CS..Hα-helixtrans-61.1-44.9174.5-177.3176.4-171.200110.8H181 Q187 L188 L189 L316 K320H181-E185 WeakPolarHBondContact O-CB 3.44Å; H181-E185 PolarHBondContact O-N 3.36Å; E185-Q187 PolarHBondContact O-N 3.2Å; E185-L188 PolarHBondContact O-N 3.29Å; E185-L189 HydrophobicContact CG-CD1 4.03Å; E185-L189 HydrophobicContact CG-CG 4.41Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 VanDerWaalsContact O-CG 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.3Å; E185-L189 PolarHBondContact O-N 2.87Å; E185-L316 HydrophobicContact CG-CD2 4.03Å; E185-K320 VanDerWaalsContact OE1-CE 3.31Å; E185-K320 WeakPolarHBondContact OE1-CE 3.42Å
186R90.5Very high85.8Confident173 Ų17385 Ų8565%0.65340%0.403SS*.Hα-helixtrans-58.6-48.2175.6-73.1-74.4-176178.31.4111.7L182 L183 L188 L189 E190L182-R186 WeakPolarHBondContact O-CB 3.3Å; L182-R186 WeakPolarHBondContact O-CG 2.81Å; L182-R186 PolarHBondContact O-N 3.48Å; L183-R186 PolarHBondContact O-N 3.47Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-L188 PolarHBondContact O-N 3.1Å; R186-L189 PolarHBondContact O-N 3.01Å; R186-E190 WeakPolarHBondContact O-CG 3.28Å; R186-E190 PolarHBondContact O-N 3.49Å
187Q92.5Very high86.6Confident105 Ų10587 Ų8749%0.49141%0.413SS..Hα-helixtrans-61.5-40.1178.1-74.1176.6-7.200112.6L183 Q184 E185 R191L183-Q187 VanDerWaalsContact O-CG 3.3Å; L183-Q187 WeakPolarHBondContact O-CG 3.28Å; L183-Q187 PolarHBondContact O-N 3.37Å; Q184-Q187 PolarHBondContact O-N 3.5Å; E185-Q187 PolarHBondContact O-N 3.2Å; Q187-R191 VanDerWaalsContact O-CG 3.3Å; Q187-R191 WeakPolarHBondContact O-CG 3.43Å; Q187-R191 PolarHBondContact O-N 2.92Å
188L91.4Very high87.5Confident13 Ų1388.9 Ų88.97%0.06842%0.42CS..Hα-helixtrans-70.1-39.3177.7-74.7167.9000112.2Q184 E185 R186 R191 M192 V312 D315 L316 L319Q184-L188 HydrophobicContact CG-CD1 4.22Å; Q184-L188 WeakPolarHBondContact O-CB 3.33Å; Q184-L188 WeakPolarHBondContact O-CG 3.44Å; Q184-L188 PolarHBondContact O-N 2.85Å; E185-L188 PolarHBondContact O-N 3.29Å; R186-L188 VanDerWaalsContact C-N 3.34Å; R186-L188 PolarHBondContact O-N 3.1Å; L188-R191 PolarHBondContact O-N 3.33Å; L188-M192 WeakPolarHBondContact O-CB 3.4Å; L188-M192 PolarHBondContact O-N 3.3Å; L188-V312 HydrophobicContact CB-CG1 4.39Å; L188-V312 HydrophobicContact CD2-CG1 4.18Å; L188-V312 WeakPolarHBondContact O-CG1 3.35Å; L188-D315 HydrophobicContact CD1-CB 4.33Å; L188-D315 HydrophobicContact CD2-CB 4.43Å; L188-L316 HydrophobicContact CB-CD1 4.43Å; L188-L316 HydrophobicContact CB-CD2 3.6Å; L188-L316 HydrophobicContact CB-CG 3.84Å; L188-L316 HydrophobicContact CD1-CD2 4.15Å; L188-L316 HydrophobicContact CD1-CG 4.39Å; L188-L319 HydrophobicContact CD1-CD1 3.24Å
189L92.6Very high88.3Confident49 Ų4985.8 Ų85.826%0.25740%0.4SS..Hα-helixtrans-62.5-45.1173.4-73.5171.8000111.4E185 R186 R191 M192 D193 L316E185-L189 HydrophobicContact CG-CD1 4.03Å; E185-L189 HydrophobicContact CG-CG 4.41Å; E185-L189 WeakPolarHBondContact O-CB 3.46Å; E185-L189 VanDerWaalsContact O-CG 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.3Å; E185-L189 PolarHBondContact O-N 2.87Å; R186-L189 PolarHBondContact O-N 3.01Å; L189-R191 VanDerWaalsContact C-N 3.34Å; L189-R191 PolarHBondContact O-N 3.38Å; L189-M192 HydrophobicContact CD2-CE 3.8Å; L189-M192 WeakPolarHBondContact O-CB 3.31Å; L189-M192 PolarHBondContact O-N 2.94Å; L189-D193 PolarHBondContact O-N 3.38Å; L189-L316 HydrophobicContact CD2-CD1 3.78Å; L189-L316 HydrophobicContact CD2-CD2 4.38Å; L189-L316 HydrophobicContact CG-CD1 4.33Å; L189-L316 HydrophobicContact CG-CD2 4.22Å
190E94Very high89Confident121 Ų12181.6 Ų81.657%0.56539%0.386SS*.Hα-helixtrans-60.3-43175.5-75.8175.5-173.400112R186 D193 N194R186-E190 WeakPolarHBondContact O-CG 3.28Å; R186-E190 PolarHBondContact O-N 3.49Å; E190-D193 PolarHBondContact O-N 3.11Å; E190-N194 WeakPolarHBondContact O-CB 3.27Å; E190-N194 VanDerWaalsContact O-CG 3.24Å; E190-N194 PolarHBondContact O-N 3.36Å; E190-N194 PolarHBondContact O-ND2 3.38Å
191R92.2Very high89.6Confident147 Ų14779.3 Ų79.356%0.55538%0.382SS*.Hα-helixtrans-62.7-44.5174.3-73.9177.9-171.81794.3111.9Q187 L188 L189 D193 N194 I195Q187-R191 VanDerWaalsContact O-CG 3.3Å; Q187-R191 WeakPolarHBondContact O-CG 3.43Å; Q187-R191 PolarHBondContact O-N 2.92Å; L188-R191 PolarHBondContact O-N 3.33Å; L189-R191 VanDerWaalsContact C-N 3.34Å; L189-R191 PolarHBondContact O-N 3.38Å; R191-D193 VanDerWaalsContact C-N 3.32Å; R191-D193 PolarHBondContact O-N 2.94Å; R191-N194 PolarHBondContact O-N 3.37Å; R191-I195 VanDerWaalsContact O-CG1 3.25Å; R191-I195 WeakPolarHBondContact O-CG1 3.42Å; R191-I195 PolarHBondContact O-N 3.42Å
192M92.6Very high90.2Very high26 Ų2679.8 Ų79.813%0.12839%0.385CS..Hα-helixtrans-59.3-44.4177.2-174.6-169.660.800111.1L188 L189 I195 K196 L309 V312 L316L188-M192 WeakPolarHBondContact O-CB 3.4Å; L188-M192 PolarHBondContact O-N 3.3Å; L189-M192 HydrophobicContact CD2-CE 3.8Å; L189-M192 WeakPolarHBondContact O-CB 3.31Å; L189-M192 PolarHBondContact O-N 2.94Å; M192-I195 PolarHBondContact O-N 3.02Å; M192-K196 HydrophobicContact CG-CD 4.2Å; M192-K196 WeakPolarHBondContact O-CB 3.46Å; M192-K196 VanDerWaalsContact O-CG 3.32Å; M192-K196 WeakPolarHBondContact O-CG 3.44Å; M192-K196 PolarHBondContact O-N 3.31Å; M192-K196 PolarHBondContact SD-NZ 2.95Å; M192-K196 VanDerWaalsContact SD-NZ 3.43Å; M192-L309 HydrophobicContact CG-CD1 3.7Å; M192-V312 HydrophobicContact CB-CG1 3.86Å; M192-L316 HydrophobicContact SD-CD1 4.12Å
193D92.8Very high90.5Very high92 Ų9278.8 Ų78.849%0.49238%0.377SS..Hα-helixtrans-66.4-42.4179.5-73.7-16.8000111.5L189 E190 R191 K196 Q197L189-D193 PolarHBondContact O-N 3.38Å; E190-D193 PolarHBondContact O-N 3.11Å; R191-D193 VanDerWaalsContact C-N 3.32Å; R191-D193 PolarHBondContact O-N 2.94Å; D193-K196 PolarHBondContact O-N 3.32Å; D193-Q197 WeakPolarHBondContact O-CB 3.42Å; D193-Q197 PolarHBondContact O-N 3.21Å
194N93.5Very high90.5Very high95 Ų9579.9 Ų79.951%0.50838%0.379SS..Hα-helixtrans-60.4-46173.7-72.3-29.1000112E190 R191 Q197 E198E190-N194 WeakPolarHBondContact O-CB 3.27Å; E190-N194 VanDerWaalsContact O-CG 3.24Å; E190-N194 PolarHBondContact O-N 3.36Å; E190-N194 PolarHBondContact O-ND2 3.38Å; R191-N194 PolarHBondContact O-N 3.37Å; N194-Q197 WeakPolarHBondContact O-CB 3.45Å; N194-Q197 PolarHBondContact O-N 3.39Å; N194-E198 PolarHBondContact O-N 2.99Å
195I92.3Very high90.4Very high22 Ų2279.1 Ų79.111%0.11338%0.376CS..Hα-helixtrans-62.6-46.2177.3-66.5163.4000110.2R191 M192 Q197 E198 L199 L305 E308 L309 V312R191-I195 VanDerWaalsContact O-CG1 3.25Å; R191-I195 WeakPolarHBondContact O-CG1 3.42Å; R191-I195 PolarHBondContact O-N 3.42Å; M192-I195 PolarHBondContact O-N 3.02Å; I195-Q197 VanDerWaalsContact C-N 3.28Å; I195-Q197 PolarHBondContact O-N 2.76Å; I195-E198 PolarHBondContact O-N 3.4Å; I195-L199 VanDerWaalsContact O-CB 3.27Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 PolarHBondContact O-N 2.89Å; I195-L305 HydrophobicContact CG2-CB 4.39Å; I195-L305 HydrophobicContact CG2-CG 4.44Å; I195-L305 WeakPolarHBondContact CG2-O 3.41Å; I195-E308 HydrophobicContact CD1-CB 4.14Å; I195-L309 HydrophobicContact CG2-CB 3.93Å; I195-L309 HydrophobicContact CG2-CD1 4.19Å; I195-V312 HydrophobicContact CD1-CG2 4.18Å
196K91.6Very high90.4Very high101 Ų10180 Ų8044%0.43938%0.38SS..Hα-helixtrans-60.1-38.8176.3-78.7177.5177172.70112.1M192 D193 L199 S200 L309M192-K196 HydrophobicContact CG-CD 4.2Å; M192-K196 WeakPolarHBondContact O-CB 3.46Å; M192-K196 VanDerWaalsContact O-CG 3.32Å; M192-K196 WeakPolarHBondContact O-CG 3.44Å; M192-K196 PolarHBondContact O-N 3.31Å; M192-K196 PolarHBondContact SD-NZ 2.95Å; M192-K196 VanDerWaalsContact SD-NZ 3.43Å; D193-K196 PolarHBondContact O-N 3.32Å; K196-L199 PolarHBondContact O-N 3.47Å; K196-S200 WeakPolarHBondContact O-CB 3.14Å; K196-S200 PolarHBondContact O-N 2.9Å; K196-L309 HydrophobicContact CG-CD1 3.92Å; K196-L309 HydrophobicContact CG-CD2 4.42Å
197Q92.5Very high90.2Very high140 Ų14074.3 Ų74.365%0.65437%0.369SS*.Hα-helixtrans-63.9-45.8176.8-171.5173.44.700111.2D193 N194 I195 L199 S200 P201D193-Q197 WeakPolarHBondContact O-CB 3.42Å; D193-Q197 PolarHBondContact O-N 3.21Å; N194-Q197 WeakPolarHBondContact O-CB 3.45Å; N194-Q197 PolarHBondContact O-N 3.39Å; I195-Q197 VanDerWaalsContact C-N 3.28Å; I195-Q197 PolarHBondContact O-N 2.76Å; Q197-L199 VanDerWaalsContact C-N 3.33Å; Q197-L199 PolarHBondContact O-N 2.91Å; Q197-S200 PolarHBondContact O-N 2.88Å; Q197-S200 PolarHBondContact O-OG 3.39Å; Q197-P201 WeakPolarHBondContact O-CD 3.5Å
198E89Confident90Very high100 Ų10074.4 Ų74.447%0.46737%0.37SS..Hα-helixtrans-65.9-33.2173.8-74.1-161.3-154.400113.3N194 I195 P201 K301 L305N194-E198 PolarHBondContact O-N 2.99Å; I195-E198 PolarHBondContact O-N 3.4Å; E198-P201 VanDerWaalsContact O-CD 3.32Å; E198-P201 WeakPolarHBondContact O-CD 3.37Å; E198-P201 WeakPolarHBondContact O-CG 3.46Å; E198-K301 IonicContact OE2-NZ 3.85Å; E198-K301 PolarHBondContact OE2-NZ 3.35Å; E198-L305 HydrophobicContact CB-CD2 3.63Å
199L90.4Very high89.7Confident3 Ų374.6 Ų74.62%0.01637%0.371CS..Hα-helixtrans-73.2-32.7179.8-155.780.7000111.6I195 K196 Q197 L202 E203 Y302 L305 K306 L309I195-L199 VanDerWaalsContact O-CB 3.27Å; I195-L199 WeakPolarHBondContact O-CB 3.48Å; I195-L199 PolarHBondContact O-N 2.89Å; K196-L199 PolarHBondContact O-N 3.47Å; Q197-L199 VanDerWaalsContact C-N 3.33Å; Q197-L199 PolarHBondContact O-N 2.91Å; L199-L202 CarbonylContact O-C 3.32Å; L199-L202 WeakPolarHBondContact O-CA 3.18Å; L199-L202 WeakPolarHBondContact O-CB 3.38Å; L199-L202 PolarHBondContact O-N 3.31Å; L199-E203 HydrophobicContact CD2-CG 4.16Å; L199-E203 WeakPolarHBondContact CD2-OE1 3.38Å; L199-E203 HydrophobicContact CG-CG 4.02Å; L199-E203 WeakPolarHBondContact O-CG 3.27Å; L199-E203 PolarHBondContact O-N 3.31Å; L199-Y302 HydrophobicContact CD1-CD2 3.79Å; L199-Y302 HydrophobicContact CD1-CE2 3.76Å; L199-Y302 HydrophobicContact CG-CD2 4.47Å; L199-Y302 HydrophobicContact CG-CE2 4.05Å; L199-L305 HydrophobicContact CD1-CB 3.71Å; L199-L305 HydrophobicContact CD1-CD2 4.31Å; L199-K306 HydrophobicContact CD2-CG 4.5Å; L199-L309 HydrophobicContact CD2-CD2 4.15Å
200S89.2Confident89.4Confident51 Ų5173.6 Ų73.636%0.35737%0.367SS..Hα-helixtrans-54-48.2-175.871.10000115.3K196 Q197 L202 E203 Q204K196-S200 WeakPolarHBondContact O-CB 3.14Å; K196-S200 PolarHBondContact O-N 2.9Å; Q197-S200 PolarHBondContact O-N 2.88Å; Q197-S200 PolarHBondContact O-OG 3.39Å; S200-L202 VanDerWaalsContact C-N 3.32Å; S200-L202 PolarHBondContact O-N 2.83Å; S200-E203 PolarHBondContact O-N 3.49Å; S200-Q204 WeakPolarHBondContact O-CG 3.4Å; S200-Q204 PolarHBondContact O-N 3.13Å; S200-Q204 VanDerWaalsContact O-N 3.08Å
201P88.5Confident89.1Confident73 Ų7377 Ų7747%0.47438%0.375SS..Hα-helixtrans-67.9-32.6175.728.5-37.3000112.4Q197 E198 M205Q197-P201 WeakPolarHBondContact O-CD 3.5Å; E198-P201 VanDerWaalsContact O-CD 3.32Å; E198-P201 WeakPolarHBondContact O-CD 3.37Å; E198-P201 WeakPolarHBondContact O-CG 3.46Å; P201-M205 WeakPolarHBondContact O-CB 3.38Å; P201-M205 PolarHBondContact O-N 3.38Å
202L86.8Confident88.7Confident30 Ų3073.3 Ų73.316%0.15737%0.369CS..Hα-helixtrans-69.3-37.8178.1-67.3164.6000111.2L199 S200 M205 K206 F297 Y302 L305L199-L202 CarbonylContact O-C 3.32Å; L199-L202 WeakPolarHBondContact O-CA 3.18Å; L199-L202 WeakPolarHBondContact O-CB 3.38Å; L199-L202 PolarHBondContact O-N 3.31Å; S200-L202 VanDerWaalsContact C-N 3.32Å; S200-L202 PolarHBondContact O-N 2.83Å; L202-M205 PolarHBondContact O-N 2.99Å; L202-K206 WeakPolarHBondContact O-CB 3.4Å; L202-K206 PolarHBondContact O-N 3.31Å; L202-F297 HydrophobicContact CB-CE2 3.93Å; L202-F297 HydrophobicContact CB-CZ 4.4Å; L202-F297 HydrophobicContact CD2-CD2 3.97Å; L202-F297 HydrophobicContact CD2-CE2 3.45Å; L202-F297 VanDerWaalsContact CD2-CE2 3.45Å; L202-F297 HydrophobicContact CD2-CZ 4.27Å; L202-F297 HydrophobicContact CG-CE2 4.31Å; L202-Y302 HydrophobicContact CB-CD2 3.85Å; L202-Y302 HydrophobicContact CB-CE2 4.43Å; L202-Y302 HydrophobicContact CD1-CD2 4.49Å; L202-L305 HydrophobicContact CD1-CD2 4.3Å
203E88.1Confident88.3Confident83 Ų8372.2 Ų72.239%0.38836%0.364SS..Hα-helixtrans-68.2-42.7175.1-75.5-173.7156.100112.4L199 S200 M205 K206 A207 Y302L199-E203 HydrophobicContact CD2-CG 4.16Å; L199-E203 WeakPolarHBondContact CD2-OE1 3.38Å; L199-E203 HydrophobicContact CG-CG 4.02Å; L199-E203 WeakPolarHBondContact O-CG 3.27Å; L199-E203 PolarHBondContact O-N 3.31Å; S200-E203 PolarHBondContact O-N 3.49Å; E203-M205 VanDerWaalsContact C-N 3.31Å; E203-M205 PolarHBondContact O-N 3.11Å; E203-K206 PolarHBondContact O-N 2.89Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.39Å; E203-A207 PolarHBondContact O-N 3.47Å; E203-Y302 HydrophobicContact CG-CE2 3.89Å
204Q87.8Confident88Confident135 Ų13572.4 Ų72.463%0.63136%0.362SS*.Hα-helixtrans-58.3-46.7173.8-72176.55.800110.7S200 K206 A207 E208S200-Q204 WeakPolarHBondContact O-CG 3.4Å; S200-Q204 PolarHBondContact O-N 3.13Å; S200-Q204 VanDerWaalsContact O-N 3.08Å; Q204-K206 PolarHBondContact O-N 3.25Å; Q204-A207 PolarHBondContact O-N 3.03Å; Q204-E208 WeakPolarHBondContact O-CG 3.44Å; Q204-E208 PolarHBondContact O-N 3.14Å
205M83Confident87.6Confident51 Ų5174 Ų7425%0.25137%0.365SS..Hα-helixtrans-64.9-39.6178.6-170.5176.2-176.900112.7P201 L202 E203 L209 K295 F297P201-M205 WeakPolarHBondContact O-CB 3.38Å; P201-M205 PolarHBondContact O-N 3.38Å; L202-M205 PolarHBondContact O-N 2.99Å; E203-M205 VanDerWaalsContact C-N 3.31Å; E203-M205 PolarHBondContact O-N 3.11Å; M205-L209 WeakPolarHBondContact O-CB 3.48Å; M205-L209 PolarHBondContact O-N 3.38Å; M205-L209 VanDerWaalsContact O-N 3.16Å; M205-K295 HydrophobicContact CE-CB 3.23Å; M205-K295 HydrophobicContact CE-CD 3.74Å; M205-K295 HydrophobicContact CE-CG 4.12Å; M205-K295 WeakPolarHBondContact CE-O 3.04Å; M205-F297 HydrophobicContact CE-CB 4.07Å; M205-F297 HydrophobicContact CE-CD2 4.37Å; M205-F297 HydrophobicContact CG-CD2 4.2Å; M205-F297 HydrophobicContact SD-CB 4.45Å; M205-F297 HydrophobicContact SD-CD2 3.67Å; M205-F297 HydrophobicContact SD-CE2 4.47Å
206K86.4Confident87.1Confident71 Ų7176.3 Ų76.331%0.30938%0.375SS..Hα-helixtrans-62.5-44.3172.6177.9-165.8175.7-171.20110.9L202 E203 Q204 L209 S210 F288 Y302L202-K206 WeakPolarHBondContact O-CB 3.4Å; L202-K206 PolarHBondContact O-N 3.31Å; E203-K206 PolarHBondContact O-N 2.89Å; Q204-K206 PolarHBondContact O-N 3.25Å; K206-L209 WeakPolarHBondContact O-CB 3.28Å; K206-L209 PolarHBondContact O-N 2.85Å; K206-L209 VanDerWaalsContact O-N 3.15Å; K206-S210 PolarHBondContact O-N 3.43Å; K206-S210 PolarHBondContact O-OG 3.46Å; K206-F288 HydrophobicContact CG-CE2 4.08Å; K206-F288 HydrophobicContact CG-CZ 4.16Å; K206-Y302 HydrophobicContact CD-CE1 4.19Å; K206-Y302 PolarHBondContact NZ-OH 3Å; K206-Y302 VanDerWaalsContact NZ-OH 3.15Å
207A87.6Confident86.7Confident52 Ų5272 Ų7243%0.4336%0.357SS..Hα-helixtrans-65.2-40.5-178.800000112.1E203 Q204 L209 S210 R211E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.39Å; E203-A207 PolarHBondContact O-N 3.47Å; Q204-A207 PolarHBondContact O-N 3.03Å; A207-L209 VanDerWaalsContact C-N 3.28Å; A207-L209 PolarHBondContact O-N 3.2Å; A207-S210 WeakPolarHBondContact CA-OG 3.26Å; A207-S210 PolarHBondContact O-OG 3.13Å; A207-R211 VanDerWaalsContact O-CB 3.23Å; A207-R211 WeakPolarHBondContact O-CB 3.04Å; A207-R211 PolarHBondContact O-N 2.98Å
208E87.5Confident86.4Confident108 Ų10867.4 Ų67.451%0.50534%0.341SS..Hα-helixtrans-60.2-41.7171.3-73.3-177.7178.100111.8Q204 T212 K295Q204-E208 WeakPolarHBondContact O-CG 3.44Å; Q204-E208 PolarHBondContact O-N 3.14Å; E208-T212 WeakPolarHBondContact O-CB 3.45Å; E208-T212 PolarHBondContact O-N 3.19Å; E208-T212 PolarHBondContact O-OG1 3.36Å; E208-K295 IonicContact OE2-NZ 3.67Å; E208-K295 PolarHBondContact OE2-NZ 3.26Å
209L85.6Confident86.3Confident17 Ų1769 Ų699%0.08934%0.342CS..Hα-helixtrans-71.2-42.5-177.1-159.863.3000111.9M205 K206 A207 T212 A213 F288 A292M205-L209 WeakPolarHBondContact O-CB 3.48Å; M205-L209 PolarHBondContact O-N 3.38Å; M205-L209 VanDerWaalsContact O-N 3.16Å; K206-L209 WeakPolarHBondContact O-CB 3.28Å; K206-L209 PolarHBondContact O-N 2.85Å; K206-L209 VanDerWaalsContact O-N 3.15Å; A207-L209 VanDerWaalsContact C-N 3.28Å; A207-L209 PolarHBondContact O-N 3.2Å; L209-T212 PolarHBondContact O-N 3.2Å; L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.4Å; L209-F288 HydrophobicContact CB-CD2 4.24Å; L209-F288 HydrophobicContact CB-CE2 4.1Å; L209-F288 HydrophobicContact CD2-CD2 3.78Å; L209-F288 HydrophobicContact CD2-CE2 3.73Å; L209-F288 HydrophobicContact CD2-CG 4.3Å; L209-F288 HydrophobicContact CD2-CZ 4.2Å; L209-F288 WeakPolarHBondContact CD2-O 3.38Å; L209-F288 HydrophobicContact CG-CD2 3.94Å; L209-F288 HydrophobicContact CG-CE2 4.14Å; L209-A292 HydrophobicContact CD2-CB 3.93Å
210S85.8Confident86Confident27 Ų2771.7 Ų71.719%0.18937%0.365CS..Hα-helixtrans-63.6-45.9174.663.90000110.4K206 A207 T212 A213 E214K206-S210 PolarHBondContact O-N 3.43Å; K206-S210 PolarHBondContact O-OG 3.46Å; A207-S210 WeakPolarHBondContact CA-OG 3.26Å; A207-S210 PolarHBondContact O-OG 3.13Å; S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 PolarHBondContact O-N 2.95Å; S210-A213 PolarHBondContact O-N 3.08Å; S210-A213 VanDerWaalsContact O-N 3.17Å; S210-E214 WeakPolarHBondContact O-CB 3.37Å; S210-E214 WeakPolarHBondContact O-CG 3.25Å; S210-E214 PolarHBondContact O-N 3.43Å
211R87.7Confident85.9Confident193 Ų19373.8 Ų73.873%0.72837%0.372SS*.Hα-helixtrans-58.4-42.9176.5-173179.3-179.2-176.61.2112.1A207 F215A207-R211 VanDerWaalsContact O-CB 3.23Å; A207-R211 WeakPolarHBondContact O-CB 3.04Å; A207-R211 PolarHBondContact O-N 2.98Å; R211-F215 WeakPolarHBondContact O-CB 3.25Å; R211-F215 PolarHBondContact O-N 3.45Å
212T85.2Confident86Confident70 Ų7079.7 Ų79.743%0.42938%0.384SS..Hα-helixtrans-65.5-44.9177.5-53.80000111E208 L209 S210 F215 H216E208-T212 WeakPolarHBondContact O-CB 3.45Å; E208-T212 PolarHBondContact O-N 3.19Å; E208-T212 PolarHBondContact O-OG1 3.36Å; L209-T212 PolarHBondContact O-N 3.2Å; S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 PolarHBondContact O-N 2.95Å; T212-F215 PolarHBondContact O-N 3.33Å; T212-H216 PolarHBondContact O-CD2 3.49Å; T212-H216 PolarHBondContact O-N 2.95Å
213A84.1Confident86.2Confident3 Ų382.3 Ų82.33%0.02540%0.402CS..Hα-helixtrans-66.4-38.9178.400000112.5L209 S210 H216 T217 F284L209-A213 WeakPolarHBondContact O-CB 3.46Å; L209-A213 PolarHBondContact O-N 3.4Å; S210-A213 PolarHBondContact O-N 3.08Å; S210-A213 VanDerWaalsContact O-N 3.17Å; A213-H216 PolarHBondContact O-N 3.27Å; A213-T217 WeakPolarHBondContact O-CB 3.38Å; A213-T217 PolarHBondContact O-N 2.98Å; A213-T217 PolarHBondContact O-OG1 3.34Å; A213-F284 HydrophobicContact CB-CD2 3.53Å; A213-F284 HydrophobicContact CB-CE2 3.61Å; A213-F284 HydrophobicContact CB-CG 4.45Å
214E84.9Confident86.3Confident96 Ų9680 Ų8045%0.44940%0.4SS..Hα-helixtrans-64.7-42.1173.6-79.9174-160.100111.9S210 T217 S218 F284S210-E214 WeakPolarHBondContact O-CB 3.37Å; S210-E214 WeakPolarHBondContact O-CG 3.25Å; S210-E214 PolarHBondContact O-N 3.43Å; E214-T217 PolarHBondContact O-N 3.41Å; E214-S218 WeakPolarHBondContact O-CB 3.3Å; E214-S218 PolarHBondContact O-N 2.91Å; E214-S218 PolarHBondContact O-OG 3.36Å; E214-F284 HydrophobicContact CG-CD2 4.14Å; E214-F284 HydrophobicContact CG-CE2 3.92Å
215F85.8Confident86.4Confident128 Ų12878.5 Ų78.556%0.56140%0.395SS*.Hα-helixtrans-61.6-46175.9180-99.8000111.1R211 T212 T217 R219R211-F215 WeakPolarHBondContact O-CB 3.25Å; R211-F215 PolarHBondContact O-N 3.45Å; T212-F215 PolarHBondContact O-N 3.33Å; F215-T217 PolarHBondContact O-N 2.95Å; F215-R219 WeakPolarHBondContact O-CB 3.3Å; F215-R219 PolarHBondContact O-N 3.35Å
216H82.6Confident87Confident71 Ų7178.6 Ų78.633%0.32940%0.403SS..Hα-helixtrans-62.5-42.3176.8-78-63000112.7T212 A213 R219 A220T212-H216 PolarHBondContact O-CD2 3.49Å; T212-H216 PolarHBondContact O-N 2.95Å; A213-H216 PolarHBondContact O-N 3.27Å; H216-R219 PolarHBondContact O-N 3.45Å; H216-A220 PolarHBondContact O-N 3.01Å
217T82.6Confident87.3Confident10 Ų1080.4 Ų80.46%0.06142%0.416CS..Hα-helixtrans-72.3-41.9-178.3-48.50000111.3A213 E214 F215 R219 A220 L221 K280 Q283A213-T217 WeakPolarHBondContact O-CB 3.38Å; A213-T217 PolarHBondContact O-N 2.98Å; A213-T217 PolarHBondContact O-OG1 3.34Å; E214-T217 PolarHBondContact O-N 3.41Å; F215-T217 PolarHBondContact O-N 2.95Å; T217-R219 VanDerWaalsContact C-N 3.34Å; T217-R219 PolarHBondContact O-N 2.87Å; T217-A220 WeakPolarHBondContact O-CB 3.4Å; T217-A220 PolarHBondContact O-N 2.91Å; T217-L221 PolarHBondContact O-N 2.93Å; T217-K280 HydrophobicContact CG2-CB 4.28Å; T217-K280 HydrophobicContact CG2-CG 3.48Å; T217-K280 VanDerWaalsContact CG2-CG 3.48Å; T217-Q283 HydrophobicContact CG2-CB 4.4Å; T217-Q283 HydrophobicContact CG2-CG 4.47Å
218S85.6Confident87.4Confident44 Ų4482.3 Ų82.331%0.30842%0.418SS..Hα-helixtrans-63.1-40.9173.5-60.10000111.3E214 A220 L221 W222E214-S218 WeakPolarHBondContact O-CB 3.3Å; E214-S218 PolarHBondContact O-N 2.91Å; E214-S218 PolarHBondContact O-OG 3.36Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.49Å; S218-L221 PolarHBondContact O-N 3.31Å; S218-W222 VanDerWaalsContact O-CD1 3.23Å; S218-W222 PolarHBondContact O-N 3.42Å
219R86.6Confident87.7Confident134 Ų13481.2 Ų81.251%0.50642%0.423SS..Hα-helixtrans-61.8-41.9175.3-170.9172.969.9171.94111.3F215 H216 T217 L221 W222 T223F215-R219 WeakPolarHBondContact O-CB 3.3Å; F215-R219 PolarHBondContact O-N 3.35Å; H216-R219 PolarHBondContact O-N 3.45Å; T217-R219 VanDerWaalsContact C-N 3.34Å; T217-R219 PolarHBondContact O-N 2.87Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.22Å; R219-W222 PolarHBondContact O-N 3.38Å; R219-T223 WeakPolarHBondContact O-CB 3.39Å; R219-T223 PolarHBondContact O-N 3.44Å; R219-T223 PolarHBondContact O-OG1 3.39Å
220A85.9Confident88.2Confident59 Ų5985.3 Ų85.349%0.48845%0.448SS..Hα-helixtrans-61-41175.100000112.1H216 T217 S218 T223 G224H216-A220 PolarHBondContact O-N 3.01Å; T217-A220 WeakPolarHBondContact O-CB 3.4Å; T217-A220 PolarHBondContact O-N 2.91Å; S218-A220 VanDerWaalsContact C-N 3.33Å; S218-A220 PolarHBondContact O-N 3.49Å; A220-T223 PolarHBondContact O-N 3.36Å; A220-G224 PolarHBondContact O-N 3.4Å
221L86.6Confident88.5Confident95 Ų9587 Ų8750%0.49745%0.453SS..Hα-helixtrans-65.2-45.4175.9-172.964.9000112T217 S218 R219 T223 G224 M225 Y276T217-L221 PolarHBondContact O-N 2.93Å; S218-L221 PolarHBondContact O-N 3.31Å; R219-L221 VanDerWaalsContact C-N 3.32Å; R219-L221 PolarHBondContact O-N 3.22Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 2.95Å; L221-G224 PolarHBondContact O-N 2.86Å; L221-M225 PolarHBondContact O-N 3.2Å; L221-Y276 HydrophobicContact CD1-CD1 4.18Å; L221-Y276 HydrophobicContact CD1-CE1 4.23Å
222W89.3Confident88.6Confident196 Ų19679.9 Ų79.974%0.74244%0.44SS*.Hα-helixtrans-62.1-37.5174.5-85.1104.5000112.4S218 R219 M225 A226S218-W222 VanDerWaalsContact O-CD1 3.23Å; S218-W222 PolarHBondContact O-N 3.42Å; R219-W222 PolarHBondContact O-N 3.38Å; W222-M225 PolarHBondContact O-N 3.43Å; W222-A226 WeakPolarHBondContact O-CB 3.15Å; W222-A226 PolarHBondContact O-N 2.89Å
223T92.1Very high89Confident86 Ų8678.8 Ų78.853%0.52844%0.442SS..Hα-helixtrans-64.8-41.6172.8-58.80000111.4R219 A220 L221 A226 L227R219-T223 WeakPolarHBondContact O-CB 3.39Å; R219-T223 PolarHBondContact O-N 3.44Å; R219-T223 PolarHBondContact O-OG1 3.39Å; A220-T223 PolarHBondContact O-N 3.36Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 2.95Å; T223-A226 PolarHBondContact O-N 3.34Å; T223-L227 WeakPolarHBondContact O-CB 3.5Å; T223-L227 PolarHBondContact O-N 2.96Å
224G89.4Confident89.3Confident34 Ų3480.9 Ų80.935%0.35146%0.46SS..Hα-helixtrans-59.8-45.1173.300000112.1A220 L221 L227 L228A220-G224 PolarHBondContact O-N 3.4Å; L221-G224 PolarHBondContact O-N 2.86Å; G224-L227 PolarHBondContact O-N 2.8Å; G224-L228 WeakPolarHBondContact O-CG 3.37Å; G224-L228 PolarHBondContact O-N 2.92Å
225M90.3Very high89.5Confident104 Ų10478.2 Ų78.251%0.51245%0.448SS..Hα-helixtrans-61.6-45.1174.4-81.8-57.2-35.100112.9L221 W222 L227 L228 S229L221-M225 PolarHBondContact O-N 3.2Å; W222-M225 PolarHBondContact O-N 3.43Å; M225-L227 VanDerWaalsContact C-N 3.33Å; M225-L227 PolarHBondContact O-N 3.08Å; M225-L228 PolarHBondContact O-N 3.3Å; M225-S229 WeakPolarHBondContact O-CB 3.31Å; M225-S229 PolarHBondContact O-N 3.46Å
226A95.1Very high89.7Confident53 Ų5372.7 Ų72.744%0.43843%0.428SS..Hα-helixtrans-62.6-41.5177.600000111.2W222 T223 S229 V230W222-A226 WeakPolarHBondContact O-CB 3.15Å; W222-A226 PolarHBondContact O-N 2.89Å; T223-A226 PolarHBondContact O-N 3.34Å; A226-S229 PolarHBondContact O-N 3.19Å; A226-V230 WeakPolarHBondContact O-CB 3.47Å; A226-V230 VanDerWaalsContact O-CG2 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.4Å; A226-V230 PolarHBondContact O-N 3.48Å
227L92.8Very high90.1Very high109 Ų10976.7 Ų76.757%0.57144%0.44SS*.Hα-helixtrans-63.9-44.4177.7-173.9144.1000111.7T223 G224 M225 S229 V230 Q231T223-L227 WeakPolarHBondContact O-CB 3.5Å; T223-L227 PolarHBondContact O-N 2.96Å; G224-L227 PolarHBondContact O-N 2.8Å; M225-L227 VanDerWaalsContact C-N 3.33Å; M225-L227 PolarHBondContact O-N 3.08Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-S229 PolarHBondContact O-N 2.79Å; L227-V230 PolarHBondContact O-N 3.44Å; L227-Q231 VanDerWaalsContact O-CB 3.24Å; L227-Q231 WeakPolarHBondContact O-CB 3.35Å; L227-Q231 PolarHBondContact O-N 3.29Å
228L90Very high90.3Very high91 Ų9179 Ų7948%0.47645%0.452SS..Hα-helixtrans-63-38.9175-70.9173.3000112G224 M225 Q231 G232G224-L228 WeakPolarHBondContact O-CG 3.37Å; G224-L228 PolarHBondContact O-N 2.92Å; M225-L228 PolarHBondContact O-N 3.3Å; L228-Q231 PolarHBondContact O-N 2.93Å; L228-G232 PolarHBondContact O-N 3.05Å
229S94.8Very high90.4Very high86 Ų8678.7 Ų78.760%0.60145%0.448SS*.Hα-helixtrans-65.7-45.3176.3-179.40000112M225 A226 L227 G232 G233M225-S229 WeakPolarHBondContact O-CB 3.31Å; M225-S229 PolarHBondContact O-N 3.46Å; A226-S229 PolarHBondContact O-N 3.19Å; L227-S229 VanDerWaalsContact C-N 3.32Å; L227-S229 PolarHBondContact O-N 2.79Å; S229-G232 PolarHBondContact O-N 3.37Å; S229-G233 PolarHBondContact O-N 3.49Å
230V95.3Very high90.3Very high102 Ų10282.6 Ų82.662%0.61846%0.463SS*.Hα-helixtrans-64.1-41.5175.6171.30000110.8A226 L227 G233 A234A226-V230 WeakPolarHBondContact O-CB 3.47Å; A226-V230 VanDerWaalsContact O-CG2 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.4Å; A226-V230 PolarHBondContact O-N 3.48Å; L227-V230 PolarHBondContact O-N 3.44Å; V230-G233 PolarHBondContact O-N 2.93Å; V230-A234 VanDerWaalsContact O-CB 3.22Å; V230-A234 WeakPolarHBondContact O-CB 3.42Å; V230-A234 PolarHBondContact O-N 3.21Å
231Q91.8Very high90.2Very high62 Ų6289 Ų8929%0.2948%0.475SS..Hα-helixtrans-59.8-47.5176.1179.2-175.3-21.600111.4L227 L228 L235L227-Q231 VanDerWaalsContact O-CB 3.24Å; L227-Q231 WeakPolarHBondContact O-CB 3.35Å; L227-Q231 PolarHBondContact O-N 3.29Å; L228-Q231 PolarHBondContact O-N 2.93Å; Q231-L235 HydrophobicContact CG-CD1 4.32Å; Q231-L235 WeakPolarHBondContact O-CB 3.31Å; Q231-L235 VanDerWaalsContact O-CG 3.28Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 3.03Å
232G90.7Very high90Very high44 Ų4488.5 Ų88.545%0.45448%0.475SS..Hα-helixtrans-64.3-42.7176.600000112.8L228 S229 L235 G236L228-G232 PolarHBondContact O-N 3.05Å; S229-G232 PolarHBondContact O-N 3.37Å; G232-L235 PolarHBondContact O-N 3.39Å; G232-G236 PolarHBondContact O-N 3.44Å
233G92.9Very high89.6Confident47 Ų4784.8 Ų84.849%0.48546%0.462SS..Hα-helixtrans-65.6-41.6177.500000113.2S229 V230 G236 W237S229-G233 PolarHBondContact O-N 3.49Å; V230-G233 PolarHBondContact O-N 2.93Å; G233-G236 PolarHBondContact O-N 3.29Å; G233-W237 WeakPolarHBondContact O-CB 3.44Å; G233-W237 PolarHBondContact O-N 3.06Å
234A90.6Very high89.1Confident47 Ų4785 Ų8539%0.38847%0.467SS..Hα-helixtrans-65.1-44176.800000111.5V230 W237 L238V230-A234 VanDerWaalsContact O-CB 3.22Å; V230-A234 WeakPolarHBondContact O-CB 3.42Å; V230-A234 PolarHBondContact O-N 3.21Å; A234-W237 PolarHBondContact O-N 2.92Å; A234-L238 WeakPolarHBondContact O-CB 3.26Å; A234-L238 VanDerWaalsContact O-CD1 3.23Å; A234-L238 WeakPolarHBondContact O-CD1 3.49Å; A234-L238 PolarHBondContact O-N 3.45Å
235L88.8Confident88.8Confident40 Ų4091.6 Ų91.621%0.20948%0.481CS..Hα-helixtrans-61.4-46.6174.4-71.9172.9000111Q231 G232 W237 L238 T239 M248 T252 I255Q231-L235 HydrophobicContact CG-CD1 4.32Å; Q231-L235 WeakPolarHBondContact O-CB 3.31Å; Q231-L235 VanDerWaalsContact O-CG 3.28Å; Q231-L235 WeakPolarHBondContact O-CG 3.38Å; Q231-L235 PolarHBondContact O-N 3.03Å; G232-L235 PolarHBondContact O-N 3.39Å; L235-W237 PolarHBondContact O-N 3.41Å; L235-L238 PolarHBondContact O-N 3.39Å; L235-T239 WeakPolarHBondContact O-CB 3.34Å; L235-T239 VanDerWaalsContact O-CG2 3.32Å; L235-T239 WeakPolarHBondContact O-CG2 3.4Å; L235-T239 PolarHBondContact O-N 3.15Å; L235-T239 PolarHBondContact O-OG1 3.3Å; L235-M248 HydrophobicContact CD2-CE 3.45Å; L235-M248 VanDerWaalsContact CD2-CE 3.45Å; L235-T252 HydrophobicContact CD1-CG2 4.26Å; L235-T252 HydrophobicContact CD2-CG2 4.07Å; L235-I255 HydrophobicContact CD1-CD1 4.48Å; L235-I255 HydrophobicContact CD2-CD1 4.23Å
236G89.7Confident88.5Confident13 Ų1392.5 Ų92.513%0.13449%0.488CS..Hα-helixtrans-58.5-47.6176.400000112.8G232 G233 T239 W240G232-G236 PolarHBondContact O-N 3.44Å; G233-G236 PolarHBondContact O-N 3.29Å; G236-T239 WeakPolarHBondContact CA-OG1 3.32Å; G236-T239 PolarHBondContact O-N 2.76Å; G236-T239 PolarHBondContact O-OG1 2.83Å; G236-W240 PolarHBondContact O-N 3.01Å; G236-W240 VanDerWaalsContact O-N 3.14Å
237W91.3Very high88Confident155 Ų15593.8 Ų93.859%0.58749%0.491SS*.Hα-helixtrans-59.5-48.4176.2-179.8-88.9000111.9G233 A234 L235 T239 W240 W241G233-W237 WeakPolarHBondContact O-CB 3.44Å; G233-W237 PolarHBondContact O-N 3.06Å; A234-W237 PolarHBondContact O-N 2.92Å; L235-W237 PolarHBondContact O-N 3.41Å; W237-T239 VanDerWaalsContact C-N 3.31Å; W237-T239 PolarHBondContact O-N 3.49Å; W237-W240 PolarHBondContact O-N 3.25Å; W237-W241 HydrophobicContact CD2-CB 4.37Å; W237-W241 HydrophobicContact CD2-CG 4.46Å; W237-W241 AromaticContact CE3-CD1 3.81Å; W237-W241 HydrophobicContact CE3-CG 4.44Å; W237-W241 HydrophobicContact CH2-CD2 4.49Å; W237-W241 HydrophobicContact CH2-CG 4.22Å; W237-W241 HydrophobicContact CZ2-CB 4.3Å; W237-W241 HydrophobicContact CZ2-CG 4.24Å; W237-W241 AromaticContact CZ3-CD1 3.78Å; W237-W241 HydrophobicContact CZ3-CG 4.32Å; W237-W241 AromaticContact CZ3-NE1 3.96Å; W237-W241 WeakPolarHBondContact O-CB 3.39Å; W237-W241 PolarHBondContact O-N 3.27Å
238L86.9Confident87.7Confident59 Ų5989 Ų8931%0.30947%0.466SS..Iπ-helixtrans-60.3-41.2178.2-97.777.3000111.6A234 L235 V242 Y243 M248A234-L238 WeakPolarHBondContact O-CB 3.26Å; A234-L238 VanDerWaalsContact O-CD1 3.23Å; A234-L238 WeakPolarHBondContact O-CD1 3.49Å; A234-L238 PolarHBondContact O-N 3.45Å; L235-L238 PolarHBondContact O-N 3.39Å; L238-V242 PolarHBondContact O-N 2.92Å; L238-Y243 HydrophobicContact CD2-CD2 4.04Å; L238-Y243 HydrophobicContact CD2-CE2 4.28Å; L238-Y243 HydrophobicContact CG-CD2 4.12Å; L238-Y243 PolarHBondContact O-N 3.19Å; L238-Y243 VanDerWaalsContact O-O 3.06Å; L238-M248 HydrophobicContact CB-CE 3.99Å; L238-M248 HydrophobicContact CB-SD 4.06Å; L238-M248 HydrophobicContact CD2-CE 3.9Å; L238-M248 HydrophobicContact CD2-SD 3.82Å
239T88.3Confident87.6Confident36 Ų3687.6 Ų87.622%0.22146%0.456CS..Iπ-helixtrans-72.3-25.8-177.550.40000115.1L235 G236 W237 Y243 M248L235-T239 WeakPolarHBondContact O-CB 3.34Å; L235-T239 VanDerWaalsContact O-CG2 3.32Å; L235-T239 WeakPolarHBondContact O-CG2 3.4Å; L235-T239 PolarHBondContact O-N 3.15Å; L235-T239 PolarHBondContact O-OG1 3.3Å; G236-T239 WeakPolarHBondContact CA-OG1 3.32Å; G236-T239 PolarHBondContact O-N 2.76Å; G236-T239 PolarHBondContact O-OG1 2.83Å; W237-T239 VanDerWaalsContact C-N 3.31Å; W237-T239 PolarHBondContact O-N 3.49Å; T239-Y243 CarbonylContact C-O 3.58Å; T239-Y243 VanDerWaalsContact C-O 3.32Å; T239-Y243 WeakPolarHBondContact CA-O 3.5Å; T239-M248 HydrophobicContact CG2-CB 3.78Å; T239-M248 HydrophobicContact CG2-CG 3.74Å
240W83.6Confident87.3Confident216 Ų21686.4 Ų86.482%0.81845%0.446SS*.Iπ-helixtrans-103.7-31.9-176.8-76.6-52.9000114.2G236 W237G236-W240 PolarHBondContact O-N 3.01Å; G236-W240 VanDerWaalsContact O-N 3.14Å; W237-W240 PolarHBondContact O-N 3.25Å
241W83.7Confident87Confident194 Ų19484.5 Ų84.574%0.73544%0.435SS*.Iπ-helixtrans-107.6-29.1-172.8-85.4100000114.7W237W237-W241 HydrophobicContact CD2-CB 4.37Å; W237-W241 HydrophobicContact CD2-CG 4.46Å; W237-W241 AromaticContact CE3-CD1 3.81Å; W237-W241 HydrophobicContact CE3-CG 4.44Å; W237-W241 HydrophobicContact CH2-CD2 4.49Å; W237-W241 HydrophobicContact CH2-CG 4.22Å; W237-W241 HydrophobicContact CZ2-CB 4.3Å; W237-W241 HydrophobicContact CZ2-CG 4.24Å; W237-W241 AromaticContact CZ3-CD1 3.78Å; W237-W241 HydrophobicContact CZ3-CG 4.32Å; W237-W241 AromaticContact CZ3-NE1 3.96Å; W237-W241 WeakPolarHBondContact O-CB 3.39Å; W237-W241 PolarHBondContact O-N 3.27Å
242V83.1Confident86.9Confident84 Ų8483.9 Ų83.951%0.50944%0.436SS..Iπ-helixtrans-118-46.9-167.8-173.60000112.9L238L238-V242 PolarHBondContact O-N 2.92Å
243Y80.1Confident86.9Confident118 Ų11889.1 Ų89.146%0.46344%0.443SS..SBendtrans-126.9142.1-174.4-67-73.9000110.3L238 T239 V247L238-Y243 HydrophobicContact CD2-CD2 4.04Å; L238-Y243 HydrophobicContact CD2-CE2 4.28Å; L238-Y243 HydrophobicContact CG-CD2 4.12Å; L238-Y243 PolarHBondContact O-N 3.19Å; L238-Y243 VanDerWaalsContact O-O 3.06Å; T239-Y243 CarbonylContact C-O 3.58Å; T239-Y243 VanDerWaalsContact C-O 3.32Å; T239-Y243 WeakPolarHBondContact CA-O 3.5Å; Y243-V247 HydrophobicContact CD1-CG1 4.08Å; Y243-V247 HydrophobicContact CG-CG1 4.46Å
244S82.6Confident87Confident91 Ų9194.3 Ų94.364%0.63645%0.452SS*.  trans-69.3156.5169.6-57.30000111D246 V247S244-D246 PolarHBondContact O-N 3.02Å; S244-D246 VanDerWaalsContact O-N 3.13Å; S244-V247 PolarHBondContact O-N 3.16Å; S244-V247 VanDerWaalsContact O-N 3.11Å
245W83.2Confident87Confident172 Ų17294.5 Ų94.565%0.65245%0.446SS*.Hα-helixtrans-53.4-35.3-177.4-176.684.8000113.7V247 M248 E249W245-V247 VanDerWaalsContact C-N 3.25Å; W245-V247 PolarHBondContact O-N 3.35Å; W245-M248 PolarHBondContact O-N 3.07Å; W245-E249 HydrophobicContact CH2-CB 4.46Å; W245-E249 HydrophobicContact CH2-CG 4.22Å; W245-E249 WeakPolarHBondContact CZ3-OE2 3.15Å; W245-E249 PolarHBondContact O-N 3.48Å
246D84.3Confident87.1Confident124 Ų12497 Ų9766%0.66346%0.464SS*.Hα-helixtrans-57.2-32.1179.2-163.347.9000113.9S244S244-D246 PolarHBondContact O-N 3.02Å; S244-D246 VanDerWaalsContact O-N 3.13Å
247V84.4Confident87.3Confident80 Ų80104.3 Ų104.349%0.48549%0.488SS..Hα-helixtrans-83.5-28.6177.8173.90000112Y243 S244 W245Y243-V247 HydrophobicContact CD1-CG1 4.08Å; Y243-V247 HydrophobicContact CG-CG1 4.46Å; S244-V247 PolarHBondContact O-N 3.16Å; S244-V247 VanDerWaalsContact O-N 3.11Å; W245-V247 VanDerWaalsContact C-N 3.25Å; W245-V247 PolarHBondContact O-N 3.35Å
248M87Confident87.5Confident9 Ų999.2 Ų99.24%0.04448%0.479CS..Hα-helixtrans-87.3-20.3-176.3-68.7-58.7-6100113.5L235 L238 T239 W245 V251 T252L235-M248 HydrophobicContact CD2-CE 3.45Å; L235-M248 VanDerWaalsContact CD2-CE 3.45Å; L238-M248 HydrophobicContact CB-CE 3.99Å; L238-M248 HydrophobicContact CB-SD 4.06Å; L238-M248 HydrophobicContact CD2-CE 3.9Å; L238-M248 HydrophobicContact CD2-SD 3.82Å; T239-M248 HydrophobicContact CG2-CB 3.78Å; T239-M248 HydrophobicContact CG2-CG 3.74Å; W245-M248 PolarHBondContact O-N 3.07Å; M248-V251 HydrophobicContact CE-CB 4.47Å; M248-V251 HydrophobicContact CE-CG1 4.39Å; M248-V251 PolarHBondContact O-N 2.77Å; M248-T252 WeakPolarHBondContact O-CG2 3.46Å; M248-T252 PolarHBondContact O-N 3.38Å; M248-T252 VanDerWaalsContact O-N 3.07Å
249E86.3Confident87.6Confident60 Ų60100.2 Ų100.228%0.2849%0.488SS..Hα-helixtrans-48.4-59.6177.5179.8173.7-163.400112.7W245 V251 T252 Y253W245-E249 HydrophobicContact CH2-CB 4.46Å; W245-E249 HydrophobicContact CH2-CG 4.22Å; W245-E249 WeakPolarHBondContact CZ3-OE2 3.15Å; W245-E249 PolarHBondContact O-N 3.48Å; E249-V251 VanDerWaalsContact C-N 3.28Å; E249-V251 PolarHBondContact O-N 3.15Å; E249-T252 PolarHBondContact O-N 3.38Å; E249-T252 PolarHBondContact O-OG1 3.5Å; E249-Y253 HydrophobicContact CG-CD2 3.96Å; E249-Y253 HydrophobicContact CG-CE2 3.51Å; E249-Y253 WeakPolarHBondContact O-CD2 3.28Å; E249-Y253 PolarHBondContact O-N 3.35Å
250P89.9Confident87.8Confident61 Ų61101.5 Ų101.540%0.39650%0.498SS..Hα-helixtrans-62.9-32.8-179.324.4-34.8000113.2Y253 F254P250-Y253 PolarHBondContact O-N 3.38Å; P250-F254 HydrophobicContact CB-CE2 4.47Å; P250-F254 WeakPolarHBondContact O-CD2 3.27Å; P250-F254 PolarHBondContact O-N 2.83Å
251V87.9Confident88.3Confident63 Ų6396.6 Ų96.638%0.38249%0.486SS..Hα-helixtrans-65.5-43.9-179.4-179.40000111M248 E249 Y253 F254 I255M248-V251 HydrophobicContact CE-CB 4.47Å; M248-V251 HydrophobicContact CE-CG1 4.39Å; M248-V251 PolarHBondContact O-N 2.77Å; E249-V251 VanDerWaalsContact C-N 3.28Å; E249-V251 PolarHBondContact O-N 3.15Å; V251-Y253 VanDerWaalsContact C-N 3.33Å; V251-Y253 PolarHBondContact O-N 2.87Å; V251-F254 PolarHBondContact O-N 3.41Å; V251-I255 HydrophobicContact CG1-CD1 4Å; V251-I255 VanDerWaalsContact O-CG1 3.32Å; V251-I255 WeakPolarHBondContact O-CG1 3.37Å; V251-I255 PolarHBondContact O-N 3.4Å
252T90.1Very high88.6Confident49 Ų4990.2 Ų90.230%0.30148%0.475SS..Hα-helixtrans-67.3-34.3178.362.30000112.5L235 M248 E249 I255 T256L235-T252 HydrophobicContact CD1-CG2 4.26Å; L235-T252 HydrophobicContact CD2-CG2 4.07Å; M248-T252 WeakPolarHBondContact O-CG2 3.46Å; M248-T252 PolarHBondContact O-N 3.38Å; M248-T252 VanDerWaalsContact O-N 3.07Å; E249-T252 PolarHBondContact O-N 3.38Å; E249-T252 PolarHBondContact O-OG1 3.5Å; T252-I255 PolarHBondContact O-N 2.88Å; T252-T256 WeakPolarHBondContact O-CB 3.3Å; T252-T256 PolarHBondContact O-N 3.4Å; T252-T256 PolarHBondContact O-OG1 2.85Å
253Y91.1Very high88.8Confident153 Ų15388.5 Ų88.560%0.647%0.469SS*.Hα-helixtrans-62.9-47.1172.6-78.1-65.4000111.8E249 P250 V251 I255 T256 Y257E249-Y253 HydrophobicContact CG-CD2 3.96Å; E249-Y253 HydrophobicContact CG-CE2 3.51Å; E249-Y253 WeakPolarHBondContact O-CD2 3.28Å; E249-Y253 PolarHBondContact O-N 3.35Å; P250-Y253 PolarHBondContact O-N 3.38Å; V251-Y253 VanDerWaalsContact C-N 3.33Å; V251-Y253 PolarHBondContact O-N 2.87Å; Y253-I255 VanDerWaalsContact C-N 3.32Å; Y253-I255 PolarHBondContact O-N 2.82Å; Y253-T256 PolarHBondContact O-N 3.25Å; Y253-Y257 WeakPolarHBondContact O-CB 3.32Å; Y253-Y257 PolarHBondContact O-N 3.11Å
254F93.7Very high89.2Confident156 Ų15689.4 Ų89.468%0.68448%0.476SS*.Hα-helixtrans-61.4-40.4177.2-75.7-60.2000112.4P250 V251 Y257 A258P250-F254 HydrophobicContact CB-CE2 4.47Å; P250-F254 WeakPolarHBondContact O-CD2 3.27Å; P250-F254 PolarHBondContact O-N 2.83Å; V251-F254 PolarHBondContact O-N 3.41Å; F254-Y257 PolarHBondContact O-N 2.96Å; F254-A258 VanDerWaalsContact O-CB 3.22Å; F254-A258 WeakPolarHBondContact O-CB 3.18Å; F254-A258 PolarHBondContact O-N 3.47Å
255I91.4Very high89.6Confident52 Ų5287.2 Ų87.227%0.26746%0.463SS..Hα-helixtrans-64.8-44.7177.3-70.6170000111.5L235 V251 T252 Y253 A258 T259L235-I255 HydrophobicContact CD1-CD1 4.48Å; L235-I255 HydrophobicContact CD2-CD1 4.23Å; V251-I255 HydrophobicContact CG1-CD1 4Å; V251-I255 VanDerWaalsContact O-CG1 3.32Å; V251-I255 WeakPolarHBondContact O-CG1 3.37Å; V251-I255 PolarHBondContact O-N 3.4Å; T252-I255 PolarHBondContact O-N 2.88Å; Y253-I255 VanDerWaalsContact C-N 3.32Å; Y253-I255 PolarHBondContact O-N 2.82Å; I255-A258 PolarHBondContact O-N 2.94Å; I255-T259 WeakPolarHBondContact O-CB 3.39Å; I255-T259 PolarHBondContact O-N 3.34Å; I255-T259 PolarHBondContact O-OG1 2.92Å
256T91.4Very high89.7Confident93 Ų9382.5 Ų82.557%0.57145%0.445SS*.Hα-helixtrans-64-44.2178.5-54.70000110.9T252 Y253 T259 S260T252-T256 WeakPolarHBondContact O-CB 3.3Å; T252-T256 PolarHBondContact O-N 3.4Å; T252-T256 PolarHBondContact O-OG1 2.85Å; Y253-T256 PolarHBondContact O-N 3.25Å; T256-T259 PolarHBondContact O-N 3.49Å; T256-S260 PolarHBondContact O-N 3.3Å; T256-S260 PolarHBondContact O-OG 2.93Å
257Y93.9Very high89.8Confident165 Ų16581.6 Ų81.665%0.64743%0.434SS*.Hα-helixtrans-65.9-39.4176.5-168.2-100.8000112.5Y253 F254 T259 S260 M261Y253-Y257 WeakPolarHBondContact O-CB 3.32Å; Y253-Y257 PolarHBondContact O-N 3.11Å; F254-Y257 PolarHBondContact O-N 2.96Å; Y257-T259 VanDerWaalsContact C-N 3.31Å; Y257-T259 PolarHBondContact O-N 3.46Å; Y257-S260 PolarHBondContact O-N 3.47Å; Y257-S260 PolarHBondContact O-OG 3.01Å; Y257-M261 VanDerWaalsContact O-CB 3.28Å; Y257-M261 WeakPolarHBondContact O-CB 3.31Å; Y257-M261 PolarHBondContact O-N 3.44Å
258A93.9Very high90Very high48 Ų4883 Ų8340%0.39744%0.437SS..Hα-helixtrans-63.7-38.4174.600000111.8F254 I255 M261 A262F254-A258 VanDerWaalsContact O-CB 3.22Å; F254-A258 WeakPolarHBondContact O-CB 3.18Å; F254-A258 PolarHBondContact O-N 3.47Å; I255-A258 PolarHBondContact O-N 2.94Å; A258-M261 PolarHBondContact O-N 3.03Å; A258-A262 WeakPolarHBondContact O-CB 3.45Å; A258-A262 PolarHBondContact O-N 3.14Å
259T90.6Very high90Very high81 Ų8189.6 Ų89.650%0.49747%0.472SS..Hα-helixtrans-67.5-43.9178-54.30000111.4I255 T256 Y257 A262 A263I255-T259 WeakPolarHBondContact O-CB 3.39Å; I255-T259 PolarHBondContact O-N 3.34Å; I255-T259 PolarHBondContact O-OG1 2.92Å; T256-T259 PolarHBondContact O-N 3.49Å; Y257-T259 VanDerWaalsContact C-N 3.31Å; Y257-T259 PolarHBondContact O-N 3.46Å; T259-A262 PolarHBondContact O-N 2.89Å; T259-A263 PolarHBondContact O-N 3.08Å
260S91.7Very high89.7Confident63 Ų6387.8 Ų87.844%0.44147%0.465SS..Hα-helixtrans-66.4-39.5175.964.80000112T256 Y257 A262 A263 F264T256-S260 PolarHBondContact O-N 3.3Å; T256-S260 PolarHBondContact O-OG 2.93Å; Y257-S260 PolarHBondContact O-N 3.47Å; Y257-S260 PolarHBondContact O-OG 3.01Å; S260-A262 VanDerWaalsContact C-N 3.34Å; S260-A262 PolarHBondContact O-N 3.2Å; S260-A263 PolarHBondContact O-N 3.45Å; S260-F264 PolarHBondContact O-N 3.45Å
261M94Very high89.3Confident113 Ų11393.6 Ų93.656%0.55748%0.484SS*.Hα-helixtrans-61.7-40.9173.9-175.9168.563.100111.9Y257 A258 F264 A265Y257-M261 VanDerWaalsContact O-CB 3.28Å; Y257-M261 WeakPolarHBondContact O-CB 3.31Å; Y257-M261 PolarHBondContact O-N 3.44Å; A258-M261 PolarHBondContact O-N 3.03Å; M261-F264 PolarHBondContact O-N 2.99Å; M261-A265 WeakPolarHBondContact O-CB 3.28Å; M261-A265 PolarHBondContact O-N 3.19Å
262A90.4Very high88.6Confident60 Ų6095.1 Ų95.150%0.49649%0.487SS..Hα-helixtrans-65.4-41175.700000112.5A258 T259 S260 F264 A265 Y266A258-A262 WeakPolarHBondContact O-CB 3.45Å; A258-A262 PolarHBondContact O-N 3.14Å; T259-A262 PolarHBondContact O-N 2.89Å; S260-A262 VanDerWaalsContact C-N 3.34Å; S260-A262 PolarHBondContact O-N 3.2Å; A262-F264 VanDerWaalsContact C-N 3.32Å; A262-F264 PolarHBondContact O-N 3.01Å; A262-A265 PolarHBondContact O-N 3.03Å; A262-Y266 PolarHBondContact O-N 2.85Å
263A87Confident87.9Confident47 Ų4797.9 Ų97.939%0.38850%0.5SS..Hα-helixtrans-61.8-41174.100000111.7T259 S260 Y266 Y267T259-A263 PolarHBondContact O-N 3.08Å; S260-A263 PolarHBondContact O-N 3.45Å; A263-Y266 WeakPolarHBondContact O-CB 3.4Å; A263-Y266 PolarHBondContact O-N 3.45Å; A263-Y267 PolarHBondContact O-N 3.4Å; A263-Y267 VanDerWaalsContact O-N 3.08Å
264F88.5Confident86.9Confident138 Ų13896.2 Ų96.261%0.60549%0.493SS*.Hα-helixtrans-68.9-41.1177.3-141.3-89.8000112.4S260 M261 A262 Y266 Y267 I268S260-F264 PolarHBondContact O-N 3.45Å; M261-F264 PolarHBondContact O-N 2.99Å; A262-F264 VanDerWaalsContact C-N 3.32Å; A262-F264 PolarHBondContact O-N 3.01Å; F264-Y266 VanDerWaalsContact C-N 3.3Å; F264-Y266 PolarHBondContact O-N 3.03Å; F264-Y267 WeakPolarHBondContact O-CB 3.39Å; F264-Y267 PolarHBondContact O-N 3.3Å; F264-I268 HydrophobicContact CD1-CD1 4Å; F264-I268 HydrophobicContact CD1-CG1 4.37Å; F264-I268 HydrophobicContact CE1-CD1 4.41Å; F264-I268 WeakPolarHBondContact O-CG1 3.37Å; F264-I268 PolarHBondContact O-N 2.78Å
265A90.7Very high86.2Confident45 Ų4591.7 Ų91.737%0.37248%0.479SS..Hα-helixtrans-61-40174.100000111.6M261 A262 I268 L269M261-A265 WeakPolarHBondContact O-CB 3.28Å; M261-A265 PolarHBondContact O-N 3.19Å; A262-A265 PolarHBondContact O-N 3.03Å; A265-I268 PolarHBondContact O-N 3.45Å; A265-L269 WeakPolarHBondContact O-CG 3.36Å; A265-L269 PolarHBondContact O-N 2.8Å; A265-L269 VanDerWaalsContact O-N 3.11Å
266Y86.3Confident85.3Confident72 Ų7295.8 Ų95.828%0.28249%0.492SS..Hα-helixtrans-60.8-44.4173.8-179.6-90000111.9A262 A263 F264 L269 T270 Y274A262-Y266 PolarHBondContact O-N 2.85Å; A263-Y266 WeakPolarHBondContact O-CB 3.4Å; A263-Y266 PolarHBondContact O-N 3.45Å; F264-Y266 VanDerWaalsContact C-N 3.3Å; F264-Y266 PolarHBondContact O-N 3.03Å; Y266-L269 PolarHBondContact O-N 3.4Å; Y266-T270 HydrophobicContact CE1-CG2 3.99Å; Y266-T270 WeakPolarHBondContact O-CB 3.37Å; Y266-T270 PolarHBondContact O-N 3.23Å; Y266-T270 PolarHBondContact O-OG1 3.15Å; Y266-Y274 AromaticContact CD1-CD2 3.69Å; Y266-Y274 HydrophobicContact CD1-CD2 3.69Å; Y266-Y274 AromaticContact CE1-CD2 3.76Å; Y266-Y274 HydrophobicContact CE1-CD2 3.76Å; Y266-Y274 HydrophobicContact CG-CD2 4.22Å
267Y85.6Confident84.6Confident106 Ų10695 Ų9542%0.41649%0.488SS..Hα-helixtrans-59.2-46.6176.4176.1-99.4000111.9A263 F264 L269 T270 K271 Q272 D273A263-Y267 PolarHBondContact O-N 3.4Å; A263-Y267 VanDerWaalsContact O-N 3.08Å; F264-Y267 WeakPolarHBondContact O-CB 3.39Å; F264-Y267 PolarHBondContact O-N 3.3Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.92Å; Y267-T270 PolarHBondContact O-N 3.07Å; Y267-K271 VanDerWaalsContact O-CA 3.27Å; Y267-K271 WeakPolarHBondContact O-CA 3.47Å; Y267-K271 PolarHBondContact O-N 3.31Å; Y267-Q272 WeakPolarHBondContact CD2-O 3.31Å; Y267-D273 WeakPolarHBondContact CE2-OD1 3.35Å
268I89.1Confident83.7Confident109 Ų10990.5 Ų90.556%0.55948%0.475SS*.Hα-helixtrans-60.1-43.8179-67.6168.9000111.4F264 A265F264-I268 HydrophobicContact CD1-CD1 4Å; F264-I268 HydrophobicContact CD1-CG1 4.37Å; F264-I268 HydrophobicContact CE1-CD1 4.41Å; F264-I268 WeakPolarHBondContact O-CG1 3.37Å; F264-I268 PolarHBondContact O-N 2.78Å; A265-I268 PolarHBondContact O-N 3.45Å
269L85.5Confident82.9Confident147 Ų14789.2 Ų89.277%0.7746%0.464SS*.Hα-helixtrans-71.2-35.2-179.3-70.3172.1000112.8A265 Y266 Y267A265-L269 WeakPolarHBondContact O-CG 3.36Å; A265-L269 PolarHBondContact O-N 2.8Å; A265-L269 VanDerWaalsContact O-N 3.11Å; Y266-L269 PolarHBondContact O-N 3.4Å; Y267-L269 VanDerWaalsContact C-N 3.34Å; Y267-L269 PolarHBondContact O-N 2.92Å
270T79.9Confident82.3Confident23 Ų2389.8 Ų89.814%0.14146%0.46CS..Hα-helixtrans-98-19.8-169.1-500000112.3Y266 Y267 Q272Y266-T270 HydrophobicContact CE1-CG2 3.99Å; Y266-T270 WeakPolarHBondContact O-CB 3.37Å; Y266-T270 PolarHBondContact O-N 3.23Å; Y266-T270 PolarHBondContact O-OG1 3.15Å; Y267-T270 PolarHBondContact O-N 3.07Å; T270-Q272 HydrophobicContact CG2-CB 4.34Å; T270-Q272 PolarHBondContact O-N 2.81Å
271K82.1Confident81.8Confident183 Ų18391.3 Ų91.380%0.79646%0.463SS*.SBendtrans52.630.3-172.9-61.1-166.1176.9-171.90114Y267Y267-K271 VanDerWaalsContact O-CA 3.27Å; Y267-K271 WeakPolarHBondContact O-CA 3.47Å; Y267-K271 PolarHBondContact O-N 3.31Å
272Q73.1Confident81.2Confident94 Ų9490.9 Ų90.944%0.43946%0.455SS..SBendtrans-147.2144.1-177.3-166.6154.2-9.200108.7Y267 T270 D278Y267-Q272 WeakPolarHBondContact CD2-O 3.31Å; T270-Q272 HydrophobicContact CG2-CB 4.34Å; T270-Q272 PolarHBondContact O-N 2.81Å; Q272-D278 PolarHBondContact NE2-OD2 3.48Å
273D76.8Confident80.7Confident107 Ų10791.4 Ų91.457%0.57245%0.448SS*.  trans-60.1148.4-179.3-63.3-39.1000111Y267 V275Y267-D273 WeakPolarHBondContact CE2-OD1 3.35Å; D273-V275 HydrophobicContact CB-CG2 4.09Å; D273-V275 PolarHBondContact O-N 3.29Å
274Y68.6Low80.6Confident118 Ų11891 Ų9146%0.46344%0.437SS..  trans-73.878.5177.6-172.2-98.5000109.9Y266 Y276Y266-Y274 AromaticContact CD1-CD2 3.69Å; Y266-Y274 HydrophobicContact CD1-CD2 3.69Å; Y266-Y274 AromaticContact CE1-CD2 3.76Å; Y266-Y274 HydrophobicContact CE1-CD2 3.76Å; Y266-Y274 HydrophobicContact CG-CD2 4.22Å; Y274-Y276 HydrophobicContact CE1-CD1 4.46Å; Y274-Y276 HydrophobicContact CE1-CD2 4.4Å; Y274-Y276 AromaticContact CE1-CE1 3.98Å; Y274-Y276 HydrophobicContact CE1-CE1 3.98Å; Y274-Y276 AromaticContact CE1-CE2 3.91Å; Y274-Y276 HydrophobicContact CE1-CE2 3.91Å; Y274-Y276 AromaticContact CE1-CZ 3.69Å
275V78.8Confident80.5Confident62 Ų6288.1 Ų88.138%0.37643%0.428SS..  trans-102.9116.6176.1177.60000107.4D273 P277 D278 A279D273-V275 HydrophobicContact CB-CG2 4.09Å; D273-V275 PolarHBondContact O-N 3.29Å; V275-P277 HydrophobicContact CG1-CG 3.65Å; V275-D278 HydrophobicContact CB-CB 4.27Å; V275-D278 PolarHBondContact O-N 2.89Å; V275-D278 VanDerWaalsContact O-N 3.14Å; V275-A279 PolarHBondContact O-N 3.16Å
276Y72.4Confident80.2Confident138 Ų13893.7 Ų93.754%0.54144%0.439SS..Hα-helixtrans-49.5-45.6-175.7-80.4-83000114.8L221 Y274 K280L221-Y276 HydrophobicContact CD1-CD1 4.18Å; L221-Y276 HydrophobicContact CD1-CE1 4.23Å; Y274-Y276 HydrophobicContact CE1-CD1 4.46Å; Y274-Y276 HydrophobicContact CE1-CD2 4.4Å; Y274-Y276 AromaticContact CE1-CE1 3.98Å; Y274-Y276 HydrophobicContact CE1-CE1 3.98Å; Y274-Y276 AromaticContact CE1-CE2 3.91Å; Y274-Y276 HydrophobicContact CE1-CE2 3.91Å; Y274-Y276 AromaticContact CE1-CZ 3.69Å; Y276-K280 VanDerWaalsContact O-CB 3.31Å; Y276-K280 WeakPolarHBondContact O-CB 3.2Å; Y276-K280 PolarHBondContact O-N 3.08Å; Y276-K280 VanDerWaalsContact O-N 3.08Å
277P76.7Confident80.1Confident77 Ų7794.9 Ų94.950%0.544%0.444SS..Hα-helixtrans-65-44.5176.920.8-30.6000112.9V275 A279 K280 D281V275-P277 HydrophobicContact CG1-CG 3.65Å; P277-A279 PolarHBondContact O-N 3.49Å; P277-K280 WeakPolarHBondContact O-CB 3.35Å; P277-K280 PolarHBondContact O-N 3.4Å; P277-D281 PolarHBondContact O-N 2.82Å
278D77.1Confident80.1Confident69 Ų6990.8 Ų90.837%0.36943%0.428SS..Hα-helixtrans-63.1-41.3179.7-74.611.4000112.4Q272 V275 K280 D281 R282Q272-D278 PolarHBondContact NE2-OD2 3.48Å; V275-D278 HydrophobicContact CB-CB 4.27Å; V275-D278 PolarHBondContact O-N 2.89Å; V275-D278 VanDerWaalsContact O-N 3.14Å; D278-K280 VanDerWaalsContact C-N 3.35Å; D278-D281 PolarHBondContact O-N 3.44Å; D278-R282 WeakPolarHBondContact O-CB 3.45Å; D278-R282 PolarHBondContact O-N 2.91Å
279A75.4Confident80Confident21 Ų2190.9 Ų90.917%0.17442%0.422CS..Hα-helixtrans-65.7-39.617700000111.7V275 P277 Q283V275-A279 PolarHBondContact O-N 3.16Å; P277-A279 PolarHBondContact O-N 3.49Å; A279-Q283 WeakPolarHBondContact O-CB 3.41Å; A279-Q283 PolarHBondContact O-N 3.45Å; A279-Q283 VanDerWaalsContact O-N 3.11Å
280K78.4Confident80Confident93 Ų9390.3 Ų90.340%0.40441%0.414SS..Hα-helixtrans-62.6-48.2175.2-175-168.3173.8-178.30110.7T217 Y276 P277 D278 R282 Q283 F284T217-K280 HydrophobicContact CG2-CB 4.28Å; T217-K280 HydrophobicContact CG2-CG 3.48Å; T217-K280 VanDerWaalsContact CG2-CG 3.48Å; Y276-K280 VanDerWaalsContact O-CB 3.31Å; Y276-K280 WeakPolarHBondContact O-CB 3.2Å; Y276-K280 PolarHBondContact O-N 3.08Å; Y276-K280 VanDerWaalsContact O-N 3.08Å; P277-K280 WeakPolarHBondContact O-CB 3.35Å; P277-K280 PolarHBondContact O-N 3.4Å; D278-K280 VanDerWaalsContact C-N 3.35Å; K280-R282 PolarHBondContact O-N 2.73Å; K280-Q283 PolarHBondContact O-N 2.77Å; K280-F284 VanDerWaalsContact O-CB 3.31Å; K280-F284 WeakPolarHBondContact O-CB 3.34Å; K280-F284 PolarHBondContact O-N 3.49Å
281D81.1Confident80Confident95 Ų9589.9 Ų89.951%0.50841%0.414SS..Hα-helixtrans-65-40.5-177.8-72.6-9.8000111.7P277 D278 Q283 F284 L285P277-D281 PolarHBondContact O-N 2.82Å; D278-D281 PolarHBondContact O-N 3.44Å; D281-Q283 VanDerWaalsContact C-N 3.35Å; D281-Q283 PolarHBondContact O-N 2.83Å; D281-F284 PolarHBondContact O-N 2.79Å; D281-L285 VanDerWaalsContact O-CB 3.28Å; D281-L285 WeakPolarHBondContact O-CB 3.32Å; D281-L285 PolarHBondContact O-N 3.29Å
282R81.4Confident80.1Confident104 Ų10481.3 Ų81.339%0.39238%0.377SS..Hα-helixtrans-63.7-41.3175.6-172.5168.8-176.9161-4.8112.3D278 K280 L285 R286D278-R282 WeakPolarHBondContact O-CB 3.45Å; D278-R282 PolarHBondContact O-N 2.91Å; K280-R282 PolarHBondContact O-N 2.73Å; R282-L285 PolarHBondContact O-N 2.96Å; R282-R286 PolarHBondContact O-N 3.37Å; R282-R286 VanDerWaalsContact O-N 3.07Å
283Q79.6Confident80.5Confident72 Ų7285.4 Ų85.434%0.33639%0.394SS..Hα-helixtrans-69.6-42.8178.3-171.268.9-17.300111.1T217 A279 K280 D281 L285 R286 Y287T217-Q283 HydrophobicContact CG2-CB 4.4Å; T217-Q283 HydrophobicContact CG2-CG 4.47Å; A279-Q283 WeakPolarHBondContact O-CB 3.41Å; A279-Q283 PolarHBondContact O-N 3.45Å; A279-Q283 VanDerWaalsContact O-N 3.11Å; K280-Q283 PolarHBondContact O-N 2.77Å; D281-Q283 VanDerWaalsContact C-N 3.35Å; D281-Q283 PolarHBondContact O-N 2.83Å; Q283-L285 VanDerWaalsContact C-N 3.35Å; Q283-L285 PolarHBondContact O-N 3.38Å; Q283-R286 PolarHBondContact O-N 2.9Å; Q283-Y287 HydrophobicContact CG-CD2 3.88Å; Q283-Y287 HydrophobicContact CG-CE2 3.57Å; Q283-Y287 VanDerWaalsContact NE2-CE2 3.3Å; Q283-Y287 WeakPolarHBondContact O-CD2 3.41Å; Q283-Y287 PolarHBondContact O-N 3.41Å
284F85.8Confident80.7Confident37 Ų3788.2 Ų88.216%0.16240%0.401CS..Hα-helixtrans-55.5-49.8171.9171.6-94000111A213 E214 K280 D281 R286 Y287 F288A213-F284 HydrophobicContact CB-CD2 3.53Å; A213-F284 HydrophobicContact CB-CE2 3.61Å; A213-F284 HydrophobicContact CB-CG 4.45Å; E214-F284 HydrophobicContact CG-CD2 4.14Å; E214-F284 HydrophobicContact CG-CE2 3.92Å; K280-F284 VanDerWaalsContact O-CB 3.31Å; K280-F284 WeakPolarHBondContact O-CB 3.34Å; K280-F284 PolarHBondContact O-N 3.49Å; D281-F284 PolarHBondContact O-N 2.79Å; F284-R286 VanDerWaalsContact C-N 3.34Å; F284-R286 PolarHBondContact O-N 3.31Å; F284-Y287 PolarHBondContact O-N 3.43Å; F284-Y287 VanDerWaalsContact O-N 3.16Å; F284-F288 HydrophobicContact CE1-CB 4.43Å; F284-F288 HydrophobicContact CZ-CD2 4.34Å; F284-F288 VanDerWaalsContact O-CB 3.3Å; F284-F288 WeakPolarHBondContact O-CB 3.28Å; F284-F288 PolarHBondContact O-N 2.96Å
285L87Confident81.1Confident79 Ų7987.1 Ų87.141%0.41440%0.399SS..Hα-helixtrans-62.2-41.5-178.2-165.664.3000111.7D281 R282 Q283 F288 Y289D281-L285 VanDerWaalsContact O-CB 3.28Å; D281-L285 WeakPolarHBondContact O-CB 3.32Å; D281-L285 PolarHBondContact O-N 3.29Å; R282-L285 PolarHBondContact O-N 2.96Å; Q283-L285 VanDerWaalsContact C-N 3.35Å; Q283-L285 PolarHBondContact O-N 3.38Å; L285-F288 PolarHBondContact O-N 3.06Å; L285-Y289 HydrophobicContact CD1-CD2 3.92Å; L285-Y289 HydrophobicContact CD1-CE2 3.47Å; L285-Y289 VanDerWaalsContact CD1-CE2 3.47Å; L285-Y289 HydrophobicContact CD2-CE2 4.18Å; L285-Y289 HydrophobicContact CG-CD2 3.79Å; L285-Y289 HydrophobicContact CG-CE2 3.61Å; L285-Y289 VanDerWaalsContact O-CD2 3.25Å; L285-Y289 WeakPolarHBondContact O-CD2 3.42Å; L285-Y289 PolarHBondContact O-N 3.48Å
286R84.6Confident81Confident162 Ų16292.6 Ų92.661%0.61142%0.42SS*.Hα-helixtrans-60.7-46.1173.9-83.9-175.1158.4167.6-4.4112.3R282 Q283 F284 K290R282-R286 PolarHBondContact O-N 3.37Å; R282-R286 VanDerWaalsContact O-N 3.07Å; Q283-R286 PolarHBondContact O-N 2.9Å; F284-R286 VanDerWaalsContact C-N 3.34Å; F284-R286 PolarHBondContact O-N 3.31Å; R286-K290 VanDerWaalsContact O-CB 3.26Å; R286-K290 WeakPolarHBondContact O-CB 3.49Å; R286-K290 PolarHBondContact O-N 2.96Å
287Y83.1Confident81.4Confident96 Ų9687 Ų8738%0.37640%0.399SS..Hα-helixtrans-66.9-39.7177.3-78.2-61000112.2Q283 F284 K290 G291Q283-Y287 HydrophobicContact CG-CD2 3.88Å; Q283-Y287 HydrophobicContact CG-CE2 3.57Å; Q283-Y287 VanDerWaalsContact NE2-CE2 3.3Å; Q283-Y287 WeakPolarHBondContact O-CD2 3.41Å; Q283-Y287 PolarHBondContact O-N 3.41Å; F284-Y287 PolarHBondContact O-N 3.43Å; F284-Y287 VanDerWaalsContact O-N 3.16Å; Y287-K290 PolarHBondContact O-N 2.94Å; Y287-G291 PolarHBondContact O-N 3.17Å
288F86.3Confident81.7Confident21 Ų2187.4 Ų87.49%0.09240%0.396CS..Hα-helixtrans-59.7-53.9176.4-176.6-93.8000110.8K206 L209 F284 L285 K290 G291 A292K206-F288 HydrophobicContact CG-CE2 4.08Å; K206-F288 HydrophobicContact CG-CZ 4.16Å; L209-F288 HydrophobicContact CB-CD2 4.24Å; L209-F288 HydrophobicContact CB-CE2 4.1Å; L209-F288 HydrophobicContact CD2-CD2 3.78Å; L209-F288 HydrophobicContact CD2-CE2 3.73Å; L209-F288 HydrophobicContact CD2-CG 4.3Å; L209-F288 HydrophobicContact CD2-CZ 4.2Å; L209-F288 WeakPolarHBondContact CD2-O 3.38Å; L209-F288 HydrophobicContact CG-CD2 3.94Å; L209-F288 HydrophobicContact CG-CE2 4.14Å; F284-F288 HydrophobicContact CE1-CB 4.43Å; F284-F288 HydrophobicContact CZ-CD2 4.34Å; F284-F288 VanDerWaalsContact O-CB 3.3Å; F284-F288 WeakPolarHBondContact O-CB 3.28Å; F284-F288 PolarHBondContact O-N 2.96Å; L285-F288 PolarHBondContact O-N 3.06Å; F288-K290 VanDerWaalsContact C-N 3.35Å; F288-K290 PolarHBondContact O-N 3.09Å; F288-G291 CarbonylContact O-C 3.6Å; F288-G291 PolarHBondContact O-N 3.07Å; F288-G291 VanDerWaalsContact O-N 3.15Å; F288-A292 WeakPolarHBondContact O-CB 3.49Å; F288-A292 PolarHBondContact O-N 3.34Å
289Y85.6Confident82Confident111 Ų11185.5 Ų85.544%0.43539%0.387SS..Hα-helixtrans-64.1-37.9178.4-81.9-68.3000113.1L285 G291 A292 K293 V299L285-Y289 HydrophobicContact CD1-CD2 3.92Å; L285-Y289 HydrophobicContact CD1-CE2 3.47Å; L285-Y289 VanDerWaalsContact CD1-CE2 3.47Å; L285-Y289 HydrophobicContact CD2-CE2 4.18Å; L285-Y289 HydrophobicContact CG-CD2 3.79Å; L285-Y289 HydrophobicContact CG-CE2 3.61Å; L285-Y289 VanDerWaalsContact O-CD2 3.25Å; L285-Y289 WeakPolarHBondContact O-CD2 3.42Å; L285-Y289 PolarHBondContact O-N 3.48Å; Y289-G291 VanDerWaalsContact C-N 3.29Å; Y289-G291 PolarHBondContact O-N 3.29Å; Y289-A292 PolarHBondContact O-N 2.82Å; Y289-K293 WeakPolarHBondContact O-CB 3.37Å; Y289-K293 PolarHBondContact O-N 3.33Å; Y289-V299 HydrophobicContact CE1-CG2 4.44Å
290K85.8Confident82.5Confident134 Ų13491.1 Ų91.158%0.58341%0.41SS*.Hα-helixtrans-63.4-38.7175.3-171.5174.8-177.2177.50111.3R286 Y287 F288 K294R286-K290 VanDerWaalsContact O-CB 3.26Å; R286-K290 WeakPolarHBondContact O-CB 3.49Å; R286-K290 PolarHBondContact O-N 2.96Å; Y287-K290 PolarHBondContact O-N 2.94Å; F288-K290 VanDerWaalsContact C-N 3.35Å; F288-K290 PolarHBondContact O-N 3.09Å; K290-K294 WeakPolarHBondContact O-CG 3.34Å; K290-K294 PolarHBondContact O-N 2.94Å
291G81.1Confident82.9Confident14 Ų1491 Ų9114%0.14441%0.409CS..Hα-helixtrans-72.6-39.6175.700000113.1Y287 F288 Y289 K293 K294 K295Y287-G291 PolarHBondContact O-N 3.17Å; F288-G291 CarbonylContact O-C 3.6Å; F288-G291 PolarHBondContact O-N 3.07Å; F288-G291 VanDerWaalsContact O-N 3.15Å; Y289-G291 VanDerWaalsContact C-N 3.29Å; Y289-G291 PolarHBondContact O-N 3.29Å; G291-K293 VanDerWaalsContact C-N 3.35Å; G291-K293 PolarHBondContact O-N 3.43Å; G291-K294 PolarHBondContact O-N 2.98Å; G291-K295 PolarHBondContact O-N 3.45Å
292A83.3Confident83.2Confident4 Ų487.3 Ų87.33%0.03339%0.388CS..Hα-helixtrans-63.1-42.8176.800000110.7L209 F288 Y289 K294 K295 Q296 F297 V299L209-A292 HydrophobicContact CD2-CB 3.93Å; F288-A292 WeakPolarHBondContact O-CB 3.49Å; F288-A292 PolarHBondContact O-N 3.34Å; Y289-A292 PolarHBondContact O-N 2.82Å; A292-K294 VanDerWaalsContact C-N 3.33Å; A292-K294 PolarHBondContact O-N 3.38Å; A292-K295 PolarHBondContact O-N 3.06Å; A292-Q296 PolarHBondContact O-N 2.72Å; A292-F297 HydrophobicContact CB-CB 4.16Å; A292-F297 HydrophobicContact CB-CD1 4.42Å; A292-F297 PolarHBondContact O-N 2.99Å; A292-V299 HydrophobicContact CB-CG2 4.37Å
293K82.6Confident83.6Confident179 Ų17985.2 Ų85.278%0.77839%0.385SS*.Hα-helixtrans-62.1-38.9174.6-170.5174.8-176.81770112.4Y289 G291 Q296Y289-K293 WeakPolarHBondContact O-CB 3.37Å; Y289-K293 PolarHBondContact O-N 3.33Å; G291-K293 VanDerWaalsContact C-N 3.35Å; G291-K293 PolarHBondContact O-N 3.43Å; K293-Q296 PolarHBondContact O-N 2.95Å
294K80.9Confident84.2Confident166 Ų16687.8 Ų87.872%0.72240%0.395SS*.Hα-helixtrans-67.8-40178.3-78.1179.9175.9-166.90112.8K290 G291 A292 Q296K290-K294 WeakPolarHBondContact O-CG 3.34Å; K290-K294 PolarHBondContact O-N 2.94Å; G291-K294 PolarHBondContact O-N 2.98Å; A292-K294 VanDerWaalsContact C-N 3.33Å; A292-K294 PolarHBondContact O-N 3.38Å; K294-Q296 VanDerWaalsContact C-N 3.32Å
295K76.1Confident84.5Confident96 Ų9686.6 Ų86.642%0.41739%0.39SS..THydrogen-bonded Turntrans-89.47.7179.1-60.5-170.1172.3-172.90113.5M205 E208 G291 A292 F297M205-K295 HydrophobicContact CE-CB 3.23Å; M205-K295 HydrophobicContact CE-CD 3.74Å; M205-K295 HydrophobicContact CE-CG 4.12Å; M205-K295 WeakPolarHBondContact CE-O 3.04Å; E208-K295 IonicContact OE2-NZ 3.67Å; E208-K295 PolarHBondContact OE2-NZ 3.26Å; G291-K295 PolarHBondContact O-N 3.45Å; A292-K295 PolarHBondContact O-N 3.06Å; K295-F297 PolarHBondContact O-N 3.02Å
296Q77.8Confident84.7Confident177 Ų17786.1 Ų86.183%0.82739%0.385SS*.THydrogen-bonded Turntrans47.739.8-172.8-65.3-162.5-9.400114.1A292 K293 K294 N298A292-Q296 PolarHBondContact O-N 2.72Å; K293-Q296 PolarHBondContact O-N 2.95Å; K294-Q296 VanDerWaalsContact C-N 3.32Å; Q296-N298 PolarHBondContact O-N 3.49Å
297F80.4Confident85.1Confident21 Ų2183.1 Ų83.19%0.09238%0.381CS..  trans-71.6118.9176.1-179.7-102.1000110L202 M205 A292 K295 V299 Y302L202-F297 HydrophobicContact CB-CE2 3.93Å; L202-F297 HydrophobicContact CB-CZ 4.4Å; L202-F297 HydrophobicContact CD2-CD2 3.97Å; L202-F297 HydrophobicContact CD2-CE2 3.45Å; L202-F297 VanDerWaalsContact CD2-CE2 3.45Å; L202-F297 HydrophobicContact CD2-CZ 4.27Å; L202-F297 HydrophobicContact CG-CE2 4.31Å; M205-F297 HydrophobicContact CE-CB 4.07Å; M205-F297 HydrophobicContact CE-CD2 4.37Å; M205-F297 HydrophobicContact CG-CD2 4.2Å; M205-F297 HydrophobicContact SD-CB 4.45Å; M205-F297 HydrophobicContact SD-CD2 3.67Å; M205-F297 HydrophobicContact SD-CE2 4.47Å; A292-F297 HydrophobicContact CB-CB 4.16Å; A292-F297 HydrophobicContact CB-CD1 4.42Å; A292-F297 PolarHBondContact O-N 2.99Å; K295-F297 PolarHBondContact O-N 3.02Å; F297-V299 HydrophobicContact CD1-CB 4.42Å; F297-V299 HydrophobicContact CD1-CG2 3.61Å; F297-V299 HydrophobicContact CE1-CB 4.41Å; F297-V299 HydrophobicContact CE1-CG2 3.95Å; F297-V299 PolarHBondContact O-N 3.5Å; F297-Y302 HydrophobicContact CE1-CG 4.43Å; F297-Y302 HydrophobicContact CZ-CD2 4.1Å; F297-Y302 AromaticContact CZ-CG 3.89Å; F297-Y302 HydrophobicContact CZ-CG 3.89Å
298N82.1Confident85.5Confident85 Ų8583.1 Ų83.146%0.45538%0.384SS..  trans-80.388.4177.8-169.5-18.4000110.3Q296 E300 K301 Y302Q296-N298 PolarHBondContact O-N 3.49Å; N298-E300 PolarHBondContact O-N 2.8Å; N298-E300 WeakPolarHBondContact OD1-CB 3.22Å; N298-E300 PolarHBondContact OD1-N 3.05Å; N298-K301 HydrophobicContact CB-CB 3.97Å; N298-K301 PolarHBondContact O-N 2.84Å; N298-K301 PolarHBondContact OD1-N 3.47Å; N298-Y302 PolarHBondContact O-N 2.78Å; N298-Y302 VanDerWaalsContact O-N 3.08Å
299V83.1Confident85.8Confident28 Ų2882.7 Ų82.717%0.1738%0.383CS..Hα-helixtrans-58.6-35.4177.7-1770000111.5Y289 A292 F297 Y302 N303Y289-V299 HydrophobicContact CE1-CG2 4.44Å; A292-V299 HydrophobicContact CB-CG2 4.37Å; F297-V299 HydrophobicContact CD1-CB 4.42Å; F297-V299 HydrophobicContact CD1-CG2 3.61Å; F297-V299 HydrophobicContact CE1-CB 4.41Å; F297-V299 HydrophobicContact CE1-CG2 3.95Å; F297-V299 PolarHBondContact O-N 3.5Å; V299-Y302 PolarHBondContact O-N 3.35Å; V299-N303 VanDerWaalsContact O-CG 3.32Å; V299-N303 PolarHBondContact O-N 2.93Å
300E85.9Confident86.1Confident139 Ų13982 Ų8265%0.6538%0.384SS*.Hα-helixtrans-68.5-42.1179.5-63.3179.9-176.200111.7N298 Y302 N303 K304N298-E300 PolarHBondContact O-N 2.8Å; N298-E300 WeakPolarHBondContact OD1-CB 3.22Å; N298-E300 PolarHBondContact OD1-N 3.05Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; E300-N303 PolarHBondContact O-N 3.38Å; E300-K304 WeakPolarHBondContact O-CG 3.15Å; E300-K304 PolarHBondContact O-N 2.93Å
301K86.5Confident86.4Confident91 Ų9181.4 Ų81.440%0.39638%0.383SS..Hα-helixtrans-61-44.5173.2-177.2176.7-179.2-168.40110.4E198 N298 N303 K304 L305E198-K301 IonicContact OE2-NZ 3.85Å; E198-K301 PolarHBondContact OE2-NZ 3.35Å; N298-K301 HydrophobicContact CB-CB 3.97Å; N298-K301 PolarHBondContact O-N 2.84Å; N298-K301 PolarHBondContact OD1-N 3.47Å; K301-N303 PolarHBondContact O-N 2.91Å; K301-K304 PolarHBondContact O-N 2.87Å; K301-L305 HydrophobicContact CD-CD1 4.44Å; K301-L305 HydrophobicContact CG-CD1 3.74Å; K301-L305 VanDerWaalsContact O-CD1 3.28Å; K301-L305 WeakPolarHBondContact O-CD1 3.45Å; K301-L305 PolarHBondContact O-N 3.38Å
302Y87.8Confident86.9Confident17 Ų1781.4 Ų81.47%0.06738%0.38CS..Hα-helixtrans-59.5-47.2178177.4-98.7000112.2L199 L202 E203 K206 F297 N298 V299 E300 K304 L305 K306L199-Y302 HydrophobicContact CD1-CD2 3.79Å; L199-Y302 HydrophobicContact CD1-CE2 3.76Å; L199-Y302 HydrophobicContact CG-CD2 4.47Å; L199-Y302 HydrophobicContact CG-CE2 4.05Å; L202-Y302 HydrophobicContact CB-CD2 3.85Å; L202-Y302 HydrophobicContact CB-CE2 4.43Å; L202-Y302 HydrophobicContact CD1-CD2 4.49Å; E203-Y302 HydrophobicContact CG-CE2 3.89Å; K206-Y302 HydrophobicContact CD-CE1 4.19Å; K206-Y302 PolarHBondContact NZ-OH 3Å; K206-Y302 VanDerWaalsContact NZ-OH 3.15Å; F297-Y302 HydrophobicContact CE1-CG 4.43Å; F297-Y302 HydrophobicContact CZ-CD2 4.1Å; F297-Y302 AromaticContact CZ-CG 3.89Å; F297-Y302 HydrophobicContact CZ-CG 3.89Å; N298-Y302 PolarHBondContact O-N 2.78Å; N298-Y302 VanDerWaalsContact O-N 3.08Å; V299-Y302 PolarHBondContact O-N 3.35Å; E300-Y302 VanDerWaalsContact C-N 3.33Å; Y302-K304 PolarHBondContact O-N 3.45Å; Y302-L305 PolarHBondContact O-N 3.18Å; Y302-K306 HydrophobicContact CE1-CG 4.31Å; Y302-K306 WeakPolarHBondContact O-CB 3.23Å; Y302-K306 PolarHBondContact O-N 3.07Å
303N90.6Very high87.3Confident60 Ų6087 Ų8732%0.32141%0.406SS..Hα-helixtrans-62-44.9178.6-70.2-7.7000111.4V299 E300 K301 L305 K306 D307V299-N303 VanDerWaalsContact O-CG 3.32Å; V299-N303 PolarHBondContact O-N 2.93Å; E300-N303 PolarHBondContact O-N 3.38Å; K301-N303 PolarHBondContact O-N 2.91Å; N303-L305 PolarHBondContact O-N 3.25Å; N303-K306 WeakPolarHBondContact O-CB 3.48Å; N303-K306 PolarHBondContact O-N 3.17Å; N303-K306 VanDerWaalsContact O-N 3.1Å; N303-D307 PolarHBondContact O-N 3.29Å
304K92.3Very high87.6Confident127 Ų12783.5 Ų83.555%0.55239%0.392SS*.Hα-helixtrans-58.5-46.9176.3-72.6176.5-178.5-177.30112.5E300 K301 Y302 K306 D307 E308E300-K304 WeakPolarHBondContact O-CG 3.15Å; E300-K304 PolarHBondContact O-N 2.93Å; K301-K304 PolarHBondContact O-N 2.87Å; Y302-K304 PolarHBondContact O-N 3.45Å; K304-K306 VanDerWaalsContact C-N 3.26Å; K304-K306 PolarHBondContact O-N 3.19Å; K304-D307 PolarHBondContact O-N 2.89Å; K304-E308 WeakPolarHBondContact O-CB 3.18Å; K304-E308 WeakPolarHBondContact O-CG 3.16Å; K304-E308 PolarHBondContact O-N 3.34Å
305L91.1Very high87.9Confident12 Ų1278.1 Ų78.16%0.06337%0.371CS..Hα-helixtrans-63.4-34.2176.6-93.970.7000111.9I195 E198 L199 L202 K301 Y302 N303 L309I195-L305 HydrophobicContact CG2-CB 4.39Å; I195-L305 HydrophobicContact CG2-CG 4.44Å; I195-L305 WeakPolarHBondContact CG2-O 3.41Å; E198-L305 HydrophobicContact CB-CD2 3.63Å; L199-L305 HydrophobicContact CD1-CB 3.71Å; L199-L305 HydrophobicContact CD1-CD2 4.31Å; L202-L305 HydrophobicContact CD1-CD2 4.3Å; K301-L305 HydrophobicContact CD-CD1 4.44Å; K301-L305 HydrophobicContact CG-CD1 3.74Å; K301-L305 VanDerWaalsContact O-CD1 3.28Å; K301-L305 WeakPolarHBondContact O-CD1 3.45Å; K301-L305 PolarHBondContact O-N 3.38Å; Y302-L305 PolarHBondContact O-N 3.18Å; N303-L305 PolarHBondContact O-N 3.25Å; L305-L309 VanDerWaalsContact O-CB 3.3Å; L305-L309 WeakPolarHBondContact O-CB 3.48Å; L305-L309 PolarHBondContact O-N 2.84Å
306K91.1Very high88.5Confident69 Ų6974 Ų7430%0.335%0.354SS..Hα-helixtrans-68.1-43.6176-115.6-69.5-176.91780111.7L199 Y302 N303 K304 L309 E310L199-K306 HydrophobicContact CD2-CG 4.5Å; Y302-K306 HydrophobicContact CE1-CG 4.31Å; Y302-K306 WeakPolarHBondContact O-CB 3.23Å; Y302-K306 PolarHBondContact O-N 3.07Å; N303-K306 WeakPolarHBondContact O-CB 3.48Å; N303-K306 PolarHBondContact O-N 3.17Å; N303-K306 VanDerWaalsContact O-N 3.1Å; K304-K306 VanDerWaalsContact C-N 3.26Å; K304-K306 PolarHBondContact O-N 3.19Å; K306-L309 WeakPolarHBondContact O-CB 3.39Å; K306-L309 PolarHBondContact O-N 3.38Å; K306-E310 IonicContact NZ-OE1 2.94Å; K306-E310 WeakPolarHBondContact O-CG 3.5Å; K306-E310 PolarHBondContact O-N 3.47Å
307D92.9Very high88.8Confident99 Ų9973 Ų7353%0.52934%0.342SS..Hα-helixtrans-64.5-43.3176.2-63-25.9000110.8N303 K304 L309 E310 Q311N303-D307 PolarHBondContact O-N 3.29Å; K304-D307 PolarHBondContact O-N 2.89Å; D307-L309 PolarHBondContact O-N 3.02Å; D307-E310 PolarHBondContact O-N 2.9Å; D307-Q311 WeakPolarHBondContact O-CB 3.49Å; D307-Q311 PolarHBondContact O-N 2.82Å
308E92.1Very high88.9Confident95 Ų9578.1 Ų78.144%0.44436%0.361SS..Hα-helixtrans-62.4-40.6174.6-75.1175.5-167.900111.9I195 K304 Q311 V312I195-E308 HydrophobicContact CD1-CB 4.14Å; K304-E308 WeakPolarHBondContact O-CB 3.18Å; K304-E308 WeakPolarHBondContact O-CG 3.16Å; K304-E308 PolarHBondContact O-N 3.34Å; E308-Q311 PolarHBondContact O-N 3.45Å; E308-V312 VanDerWaalsContact O-CG2 3.31Å; E308-V312 WeakPolarHBondContact O-CG2 3.35Å; E308-V312 PolarHBondContact O-N 3.39Å
309L92.8Very high88.8Confident13 Ų1374.8 Ų74.87%0.06834%0.343CS..Hα-helixtrans-62.4-45.9175.7-176.766.1000111.5M192 I195 K196 L199 L305 K306 D307 Q311 V312 E313M192-L309 HydrophobicContact CG-CD1 3.7Å; I195-L309 HydrophobicContact CG2-CB 3.93Å; I195-L309 HydrophobicContact CG2-CD1 4.19Å; K196-L309 HydrophobicContact CG-CD1 3.92Å; K196-L309 HydrophobicContact CG-CD2 4.42Å; L199-L309 HydrophobicContact CD2-CD2 4.15Å; L305-L309 VanDerWaalsContact O-CB 3.3Å; L305-L309 WeakPolarHBondContact O-CB 3.48Å; L305-L309 PolarHBondContact O-N 2.84Å; K306-L309 WeakPolarHBondContact O-CB 3.39Å; K306-L309 PolarHBondContact O-N 3.38Å; D307-L309 PolarHBondContact O-N 3.02Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; L309-V312 PolarHBondContact O-N 3.29Å; L309-E313 WeakPolarHBondContact O-CB 3.32Å; L309-E313 PolarHBondContact O-N 2.85Å
310E92.3Very high88.4Confident95 Ų9578 Ų7844%0.44436%0.355SS..Hα-helixtrans-62.8-40.3177.3-74.8179.1-168.800111.2K306 D307 E313 E314K306-E310 IonicContact NZ-OE1 2.94Å; K306-E310 WeakPolarHBondContact O-CG 3.5Å; K306-E310 PolarHBondContact O-N 3.47Å; D307-E310 PolarHBondContact O-N 2.9Å; E310-E313 PolarHBondContact O-N 2.88Å; E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 WeakPolarHBondContact O-CG 3.49Å; E310-E314 PolarHBondContact O-N 3.48Å
311Q91.3Very high87.5Confident122 Ų12277 Ų7757%0.5735%0.346SS*.Hα-helixtrans-63.6-46175.6-173.7173.24.500112.3D307 E308 L309 E313 E314 D315D307-Q311 WeakPolarHBondContact O-CB 3.49Å; D307-Q311 PolarHBondContact O-N 2.82Å; E308-Q311 PolarHBondContact O-N 3.45Å; L309-Q311 VanDerWaalsContact C-N 3.32Å; Q311-E313 VanDerWaalsContact C-N 3.32Å; Q311-E313 PolarHBondContact O-N 3.04Å; Q311-E314 PolarHBondContact O-N 2.86Å; Q311-D315 WeakPolarHBondContact O-CB 3.29Å; Q311-D315 PolarHBondContact O-N 2.9Å
312V92.6Very high86.5Confident15 Ų1573.8 Ų73.89%0.09134%0.335CS..Hα-helixtrans-65.2-37.8177.7172.30000111.3L188 M192 I195 E308 L309 D315 L316L188-V312 HydrophobicContact CB-CG1 4.39Å; L188-V312 HydrophobicContact CD2-CG1 4.18Å; L188-V312 WeakPolarHBondContact O-CG1 3.35Å; M192-V312 HydrophobicContact CB-CG1 3.86Å; I195-V312 HydrophobicContact CD1-CG2 4.18Å; E308-V312 VanDerWaalsContact O-CG2 3.31Å; E308-V312 WeakPolarHBondContact O-CG2 3.35Å; E308-V312 PolarHBondContact O-N 3.39Å; L309-V312 PolarHBondContact O-N 3.29Å; V312-D315 PolarHBondContact O-N 2.94Å; V312-L316 HydrophobicContact CG1-CD1 4.38Å; V312-L316 WeakPolarHBondContact O-CB 3.42Å; V312-L316 WeakPolarHBondContact O-CG 3.24Å; V312-L316 PolarHBondContact O-N 3.34Å
313E91.1Very high85.1Confident121 Ų12177.3 Ų77.357%0.56536%0.355SS*.Hα-helixtrans-65.5-42.8175.2-175.5173.4-177.800111.7L309 E310 Q311 L316 R317L309-E313 WeakPolarHBondContact O-CB 3.32Å; L309-E313 PolarHBondContact O-N 2.85Å; E310-E313 PolarHBondContact O-N 2.88Å; Q311-E313 VanDerWaalsContact C-N 3.32Å; Q311-E313 PolarHBondContact O-N 3.04Å; E313-L316 PolarHBondContact O-N 3.5Å; E313-R317 VanDerWaalsContact O-CB 3.27Å; E313-R317 WeakPolarHBondContact O-CB 3.35Å; E313-R317 PolarHBondContact O-N 3.39Å
314E89.5Confident83.4Confident105 Ų10582.2 Ų82.249%0.49138%0.375SS..Hα-helixtrans-61.9-42.5173-78.9-168.3-169.600112.2E310 Q311 R317 R318E310-E314 WeakPolarHBondContact O-CB 3.38Å; E310-E314 WeakPolarHBondContact O-CG 3.49Å; E310-E314 PolarHBondContact O-N 3.48Å; Q311-E314 PolarHBondContact O-N 2.86Å; E314-R317 CarbonylContact O-C 3.54Å; E314-R317 WeakPolarHBondContact O-CB 3.28Å; E314-R317 PolarHBondContact O-N 2.96Å; E314-R318 WeakPolarHBondContact O-CB 3.46Å; E314-R318 VanDerWaalsContact O-CG 3.3Å; E314-R318 WeakPolarHBondContact O-CG 3.23Å; E314-R318 PolarHBondContact O-N 2.93Å; E314-R318 IonicContact OE2-NH2 2.92Å; E314-R318 PolarHBondContact OE2-NH2 3.46Å
315D86.8Confident81.5Confident53 Ų5381.6 Ų81.628%0.28338%0.378SS..Hα-helixtrans-66.2-42.2178.3-74.5-19.9000111.5L188 Q311 V312 R317 R318 L319L188-D315 HydrophobicContact CD1-CB 4.33Å; L188-D315 HydrophobicContact CD2-CB 4.43Å; Q311-D315 WeakPolarHBondContact O-CB 3.29Å; Q311-D315 PolarHBondContact O-N 2.9Å; V312-D315 PolarHBondContact O-N 2.94Å; D315-R317 VanDerWaalsContact C-N 3.32Å; D315-R317 PolarHBondContact O-N 3.11Å; D315-R318 PolarHBondContact O-N 2.92Å; D315-L319 WeakPolarHBondContact O-CG 3.22Å; D315-L319 PolarHBondContact O-N 3.31Å
316L88.2Confident79.7Confident10 Ų1089.7 Ų89.75%0.05242%0.415CS..Hα-helixtrans-61.4-41.4171.6-82.3174.8000111.8E185 L188 L189 M192 V312 E313 L319 K320E185-L316 HydrophobicContact CG-CD2 4.03Å; L188-L316 HydrophobicContact CB-CD1 4.43Å; L188-L316 HydrophobicContact CB-CD2 3.6Å; L188-L316 HydrophobicContact CB-CG 3.84Å; L188-L316 HydrophobicContact CD1-CD2 4.15Å; L188-L316 HydrophobicContact CD1-CG 4.39Å; L189-L316 HydrophobicContact CD2-CD1 3.78Å; L189-L316 HydrophobicContact CD2-CD2 4.38Å; L189-L316 HydrophobicContact CG-CD1 4.33Å; L189-L316 HydrophobicContact CG-CD2 4.22Å; M192-L316 HydrophobicContact SD-CD1 4.12Å; V312-L316 HydrophobicContact CG1-CD1 4.38Å; V312-L316 WeakPolarHBondContact O-CB 3.42Å; V312-L316 WeakPolarHBondContact O-CG 3.24Å; V312-L316 PolarHBondContact O-N 3.34Å; E313-L316 PolarHBondContact O-N 3.5Å; L316-L319 PolarHBondContact O-N 3.43Å; L316-K320 WeakPolarHBondContact O-CG 3.49Å; L316-K320 PolarHBondContact O-N 3.21Å
317R85.1Confident77.8Confident155 Ų15591.5 Ų91.559%0.58543%0.427SS*.Hα-helixtrans-60.9-50.4175-169.8177.9-1791672.5109.4E313 E314 D315 L319 K320 Y321E313-R317 VanDerWaalsContact O-CB 3.27Å; E313-R317 WeakPolarHBondContact O-CB 3.35Å; E313-R317 PolarHBondContact O-N 3.39Å; E314-R317 CarbonylContact O-C 3.54Å; E314-R317 WeakPolarHBondContact O-CB 3.28Å; E314-R317 PolarHBondContact O-N 2.96Å; D315-R317 VanDerWaalsContact C-N 3.32Å; D315-R317 PolarHBondContact O-N 3.11Å; R317-L319 VanDerWaalsContact C-N 3.28Å; R317-L319 PolarHBondContact O-N 2.81Å; R317-K320 PolarHBondContact O-N 2.86Å; R317-K320 VanDerWaalsContact O-N 3.13Å; R317-Y321 HydrophobicContact CG-CD2 3.89Å; R317-Y321 HydrophobicContact CG-CE2 3.33Å; R317-Y321 PolarHBondContact NE-OH 3.13Å; R317-Y321 VanDerWaalsContact NE-OH 3.14Å; R317-Y321 PolarHBondContact NH2-OH 3.05Å; R317-Y321 WeakPolarHBondContact O-CD2 3.37Å; R317-Y321 PolarHBondContact O-N 3.39Å
318R82.6Confident75.7Confident129 Ų12990.9 Ų90.949%0.48743%0.429SS..Hα-helixtrans-59-35177.9-74.2175.9-169.7176.211.1113.3E314 D315 P322E314-R318 WeakPolarHBondContact O-CB 3.46Å; E314-R318 VanDerWaalsContact O-CG 3.3Å; E314-R318 WeakPolarHBondContact O-CG 3.23Å; E314-R318 PolarHBondContact O-N 2.93Å; E314-R318 IonicContact OE2-NH2 2.92Å; E314-R318 PolarHBondContact OE2-NH2 3.46Å; D315-R318 PolarHBondContact O-N 2.92Å; R318-P322 WeakPolarHBondContact O-CD 3.32Å; R318-P322 WeakPolarHBondContact O-CG 3.4Å
319L78.8Confident73.8Confident16 Ų1689.2 Ų89.28%0.08442%0.423CS..Hα-helixtrans-73.8-33.7176-75.7168000113.3Q184 L188 D315 L316 R317 P322 I332Q184-L319 HydrophobicContact CG-CD1 4.03Å; L188-L319 HydrophobicContact CD1-CD1 3.24Å; D315-L319 WeakPolarHBondContact O-CG 3.22Å; D315-L319 PolarHBondContact O-N 3.31Å; L316-L319 PolarHBondContact O-N 3.43Å; R317-L319 VanDerWaalsContact C-N 3.28Å; R317-L319 PolarHBondContact O-N 2.81Å; L319-P322 WeakPolarHBondContact O-CD 3.46Å; L319-I332 HydrophobicContact CD2-CD1 4.13Å
320K74.9Confident71.7Confident95 Ų9597.3 Ų97.341%0.41346%0.46SS..Hα-helixtrans-71.7-33.5179.4-77178.9179.8-179.80113.4E185 L316 R317 Q324E185-K320 VanDerWaalsContact OE1-CE 3.31Å; E185-K320 WeakPolarHBondContact OE1-CE 3.42Å; L316-K320 WeakPolarHBondContact O-CG 3.49Å; L316-K320 PolarHBondContact O-N 3.21Å; R317-K320 PolarHBondContact O-N 2.86Å; R317-K320 VanDerWaalsContact O-N 3.13Å; K320-Q324 WeakPolarHBondContact O-CG 3.39Å; K320-Q324 PolarHBondContact O-N 3.41Å
321Y67.7Low69.4Low118 Ų118101.7 Ų101.746%0.46348%0.481SS..Hα-helixtrans-61.6-51.3-179-86.3-113.2000114.7R317 N323 Q324 L325R317-Y321 HydrophobicContact CG-CD2 3.89Å; R317-Y321 HydrophobicContact CG-CE2 3.33Å; R317-Y321 PolarHBondContact NE-OH 3.13Å; R317-Y321 VanDerWaalsContact NE-OH 3.14Å; R317-Y321 PolarHBondContact NH2-OH 3.05Å; R317-Y321 WeakPolarHBondContact O-CD2 3.37Å; R317-Y321 PolarHBondContact O-N 3.39Å; Y321-N323 VanDerWaalsContact C-N 3.34Å; Y321-N323 PolarHBondContact O-N 3.37Å; Y321-Q324 PolarHBondContact O-N 2.84Å; Y321-L325 PolarHBondContact O-N 2.98Å
322P65.4Low67.2Low24 Ų24100 Ų10016%0.15648%0.475CS..Hα-helixtrans-70.7-28.7179.526-32.9000112.7R318 L319 L325 Q326 L329R318-P322 WeakPolarHBondContact O-CD 3.32Å; R318-P322 WeakPolarHBondContact O-CG 3.4Å; L319-P322 WeakPolarHBondContact O-CD 3.46Å; P322-L325 CarbonylContact O-C 3.32Å; P322-L325 PolarHBondContact O-N 3.36Å; P322-Q326 PolarHBondContact O-N 2.79Å; P322-L329 HydrophobicContact CB-CD2 3.55Å; P322-L329 HydrophobicContact CG-CD2 3.57Å
323N56.8Low64.6Low91 Ų91107.9 Ų107.949%0.48751%0.511SS..Hα-helixtrans-67.5-37176.3-153.9-30.5000111.4Y321 L325Y321-N323 VanDerWaalsContact C-N 3.34Å; Y321-N323 PolarHBondContact O-N 3.37Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 PolarHBondContact O-N 3.14Å
324Q55.6Low62.2Low162 Ų162106.4 Ų106.476%0.75752%0.519SS*.Hα-helixtrans-68.9-24.5172.8-72.6-180-2.500113.6K320 Y321K320-Q324 WeakPolarHBondContact O-CG 3.39Å; K320-Q324 PolarHBondContact O-N 3.41Å; Y321-Q324 PolarHBondContact O-N 2.84Å
325L52.2Low59.4Low114 Ų114110.7 Ų110.760%0.59754%0.536SS*.Hα-helixtrans-105.1-6.7-175.7-76157.3000114.3Y321 P322 N323 L327Y321-L325 PolarHBondContact O-N 2.98Å; P322-L325 CarbonylContact O-C 3.32Å; P322-L325 PolarHBondContact O-N 3.36Å; N323-L325 VanDerWaalsContact C-N 3.28Å; N323-L325 PolarHBondContact O-N 3.14Å; L325-L327 HydrophobicContact CB-CD1 3.92Å; L325-L327 HydrophobicContact CB-CG 4.07Å; L325-L327 HydrophobicContact CD1-CD1 4.47Å; L325-L327 PolarHBondContact O-N 3.3Å; L325-L327 VanDerWaalsContact O-N 3.16Å
326Q53.4Low57Low182 Ų182117.3 Ų117.385%0.8558%0.582SS**THydrogen-bonded Turntrans48.434.2-174.5-67.7-175-35.200114.2P322P322-Q326 PolarHBondContact O-N 2.79Å
327L51.2Low55.5Low107 Ų107122.7 Ų122.756%0.5661%0.608SS**  trans-89.1139.3-180-71.3168000111.1L325 L329L325-L327 HydrophobicContact CB-CD1 3.92Å; L325-L327 HydrophobicContact CB-CG 4.07Å; L325-L327 HydrophobicContact CD1-CD1 4.47Å; L325-L327 PolarHBondContact O-N 3.3Å; L325-L327 VanDerWaalsContact O-N 3.16Å; L327-L329 PolarHBondContact O-N 2.92Å
328P49.9Very low53.9Low87 Ų87121 Ų12157%0.56561%0.61SS**  trans-55.8129.1171.6-22.232.4000110.9L170 E330L170-P328 HydrophobicContact CD1-CB 4.44Å; L170-P328 HydrophobicContact CD1-CG 4.41Å; P328-E330 PolarHBondContact O-N 3.4Å
329L50.9Low52.3Low60 Ų60120.6 Ų120.631%0.31462%0.617SS.*  trans-71.590.5-178.5-71.1-174.2000111.9L177 H181 P322 L327 I332L177-L329 HydrophobicContact CD2-CD1 4.43Å; L177-L329 HydrophobicContact CD2-CG 4.33Å; H181-L329 WeakPolarHBondContact CE1-CD1 3.5Å; H181-L329 WeakPolarHBondContact NE2-CD1 3.48Å; P322-L329 HydrophobicContact CB-CD2 3.55Å; P322-L329 HydrophobicContact CG-CD2 3.57Å; L327-L329 PolarHBondContact O-N 2.92Å; L329-I332 HydrophobicContact CD1-CD1 3.83Å; L329-I332 HydrophobicContact CD2-CD1 3.58Å; L329-I332 HydrophobicContact CD2-CG1 4.07Å; L329-I332 HydrophobicContact CG-CD1 4.27Å
330E48.8Very low50.8Low182 Ų182126.7 Ų126.785%0.8565%0.648SS**  trans-106.60167.1-110-177.3112.500113.6P328P328-E330 PolarHBondContact O-N 3.4Å
331Q44.3Very low49.2Very low188 Ų188128.7 Ų128.788%0.87966%0.663SS**  trans-119.89.9-169.7-74.9176.7-2400115.9Q333Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 3.48Å
332I45.7Very low48Very low85 Ų85129.4 Ų129.444%0.43668%0.676SS.*  trans-9755170.3-42.6178.1000109.4L319 L329L319-I332 HydrophobicContact CD2-CD1 4.13Å; L329-I332 HydrophobicContact CD1-CD1 3.83Å; L329-I332 HydrophobicContact CD2-CD1 3.58Å; L329-I332 HydrophobicContact CD2-CG1 4.07Å; L329-I332 HydrophobicContact CG-CD1 4.27Å
333Q38.3Very low46.8Very low182 Ų182136.9 Ų136.985%0.8571%0.713SS**PPolyproline II helixtrans-94.7124.9156.2-88-168.53.600108.3Q331 K335Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 3.48Å; Q333-K335 PolarHBondContact O-N 2.98Å
334A39.3Very low46Very low89 Ų89140.5 Ų140.574%0.73673%0.73SS**PPolyproline II helixtrans-55.7134.5173.200000109.7
335K31.1Very low45.2Very low195 Ų195138.7 Ų138.785%0.84873%0.728SS**PPolyproline II helixtrans-64.4133.6166.5-165.3173-175.2175.30107.7Q333Q333-K335 PolarHBondContact O-N 2.98Å
336P37.3Very low44.6Very low193 Ų193140.9 Ų140.9100%1.25374%0.74SS**  trans-62.20-179.726.7-35.8000113.1

Retrieved 336 of 336 residues in 151.6 ms (Link to these results)