X5D9H9_HUMAN Loading...

Aryl-hydrocarbon receptor nuclear translocator 2 isoform B

AlphaFold DB , UniProt , Accession X5D9H9, Species HUMAN (Homo sapiens, Human), Gene ARNT2, Length 392 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
1M39.5Very low43.1Very low247 Ų247135.6 Ų135.6100%1.21784%0.838SS**  0140.50-87.4179.4169.300108.3
2A39.8Very low43Very low98 Ų98138 Ų13881%0.8184%0.836SS**  trans79.5110.9164.200000119.4
3T46.7Very low42.2Very low134 Ų134135.3 Ų135.382%0.82284%0.837SS**  trans-51163.8154.6460000113.9
4P51.1Low41.8Very low126 Ų126132.9 Ų132.982%0.81883%0.827SS**  -147.5176.3104.835.5-18.2000111.8
5A38.3Very low41Very low90 Ų90134.8 Ų134.874%0.74483%0.83SS**  cis-170.3139.1-28.500000104.1
6A40.2Very low40.9Very low98 Ų98136.3 Ų136.381%0.8183%0.829SS**  trans-74.1146176.800000111.4
7V45.3Very low41Very low144 Ų144135.9 Ų135.987%0.87383%0.83SS**  trans-128.8110.4165.1-177.10000108.4
8N43.5Very low40.4Very low146 Ų146132.6 Ų132.678%0.78183%0.827SS**PPolyproline II helixtrans-77156.3168.2-90.5-48.4000110.9
9P45.5Very low40.3Very low110 Ų110131.8 Ų131.871%0.71483%0.827SS**PPolyproline II helixtrans-82.4156.7169.934.3-32.1000111.8
10P47.8Very low39.8Very low128 Ų128131.6 Ų131.683%0.83182%0.824SS**PPolyproline II helixtrans-91.1141.1175.634-29.7000112.8
11E36.1Very low39.4Very low171 Ų171131.4 Ų131.480%0.79982%0.822SS**PPolyproline II helixtrans-84156.8166.8-76.9-171.5114.200112.8
12M41.6Very low39.2Very low164 Ų164127.5 Ų127.581%0.80881%0.805SS**  trans62.3119.2137.168.9-153.4-91.900122.8
13A32.5Very low39.1Very low103 Ų103129 Ų12985%0.85181%0.807SS**  trans-152134.1133.200000111
14S37.3Very low38.3Very low101 Ų101129.3 Ų129.371%0.70681%0.809SS**  trans-69.2156.9176.645.60000114.2
15D29.5Very low37.5Very low162 Ų162127.2 Ų127.287%0.86680%0.802SS**  -170.9138.9126.4-93-35.4000114
16I39.8Very low37.8Very low158 Ų158128.8 Ų128.881%0.8180%0.804SS**  trans-108.1139.2174-66.9167000106.4
17P41.9Very low37.5Very low131 Ų131132.8 Ų132.885%0.85181%0.808SS**  -150.5172.195.931.9-9.3000112.6
18G31.3Very low36.8Very low75 Ų75131.1 Ų131.177%0.77381%0.81SS**  cis167.7157.911.100000107.6
19S37.1Very low36.3Very low118 Ų118128.1 Ų128.183%0.82581%0.805SS**  trans-79.5148.5-175.468.90000114.8
20V30.9Very low35.7Very low128 Ų128130 Ų13078%0.77682%0.815SS**  trans-158.3123.8146.6-1390000113.8
21T30.7Very low34.8Very low128 Ų128127.4 Ų127.479%0.78581%0.811SS**  trans52.2137.2138.956.50000126
22L36.1Very low34.7Very low164 Ų164128.2 Ų128.286%0.85982%0.815SS**  trans-53.9167.5165.7-61163.7000115.7
23P37Very low34.2Very low129 Ų129126.9 Ų126.984%0.83882%0.815SS**  trans-128.5162.3134.434.9-21.4000115.1
24V30.9Very low34.2Very low142 Ų142132 Ų13286%0.86181%0.813SS**  trans-82160.5-165.51640000113.5
25A34.3Very low33.8Very low82 Ų82135.5 Ų135.568%0.67882%0.82SS**  trans-57.7179.517400000116.1
26P44.9Very low34.1Very low122 Ų122132.8 Ų132.879%0.79282%0.82SS**  -135.1135.4121.234.4-21.3000115.5
27M33.8Very low33.6Very low182 Ų182128.7 Ų128.790%0.89782%0.817SS**  trans18.3126136.2-60.2-66.9174.700121.1
28A30.8Very low33.1Very low109 Ų109127.2 Ų127.290%0.90182%0.816SS**  -148.9127.8127.100000109.5
29A32.2Very low33.6Very low83 Ų83132.5 Ų132.569%0.68682%0.823SS**  trans-106.9174.4-17800000111.8
30T32.4Very low34Very low151 Ų151133 Ų13393%0.92682%0.823SS**  trans106.3124.4168.468.10000113.6
31G30.2Very low34.4Very low72 Ų72131.5 Ų131.574%0.74282%0.824SS**  cis-167.6157.8-4.900000111
32Q33Very low34.8Very low189 Ų189137.6 Ų137.688%0.88383%0.832SS**  trans8.6145.4146-72.4173-31.700118.5
33V32.2Very low34.6Very low135 Ų135133.6 Ų133.682%0.81883%0.831SS**  -162151.354.3-173.50000111.3
34R30.9Very low34.8Very low212 Ų212131.3 Ų131.380%0.883%0.831SS**  trans-43.7152.1167.6-60.3164.8163.1158.6-6.9116.6
35M30.8Very low35.4Very low173 Ų173134.4 Ų134.485%0.85283%0.833SS**  173.2150.696.7-91.3-56.1-164.700113.7
36A34.3Very low36Very low105 Ų105142.1 Ų142.187%0.86884%0.844SS**  trans-80.9164.6175.800000113.4
37G29.1Very low36Very low72 Ų72148 Ų14874%0.74285%0.851SS**  trans159.294.8164.600000110.3
38A31.9Very low36.4Very low101 Ų101145 Ų14584%0.83585%0.848SS**  75.6115.388.200000113.6
39M41.3Very low36.9Very low186 Ų186142.3 Ų142.392%0.91683%0.831SS**  trans-57.1160.9167.1-62.6-75.5-177.200111.6
40P46.2Very low37.8Very low129 Ų129146.6 Ų146.684%0.83884%0.839SS**  -133.2148.9128.134.8-23000113.6
41A39.3Very low38Very low95 Ų95146.4 Ų146.479%0.78583%0.832SS**  trans-91.7163.5172.500000112
42R39.2Very low38.9Very low256 Ų256152.2 Ų152.297%0.96684%0.837SS**  trans99.8121141-153174.6-179.1172.4-0.5118
43G31Very low39.6Very low81 Ų81149.8 Ų149.884%0.83583%0.83SS**  trans-176.581.5163.400000111.4
44G41.6Very low40.6Very low81 Ų81149.9 Ų149.984%0.83583%0.826SS**  trans-79.4146.2176.700000112.8
45K44Very low41.4Very low206 Ų206148.2 Ų148.290%0.89683%0.827SS**  trans-135.7105.7157.8-160.9141178172.50108.9
46R46.8Very low42.6Very low244 Ų244147.5 Ų147.592%0.92183%0.827SS**  trans-66.5131.1169.2-60.7173.9106.4-1763.9108.1
47R44.9Very low43.4Very low246 Ų246145.9 Ų145.993%0.92882%0.82SS**  trans-127113.3145.8-103.7-175.5175.1-172-2.4107.3
48S43.4Very low44.5Very low119 Ų119149.7 Ų149.783%0.83282%0.819SS**  trans-40.1143.1148.7179.50000109.5
49G41Very low45.2Very low52 Ų52146.3 Ų146.354%0.53679%0.794SS.*  cis143.8138.623.400000105.4
50M50.1Low45.9Very low174 Ų174143 Ų14386%0.85779%0.787SS**  trans66.4130.2-175.9-60.391.817400113.8
51D37.7Very low46.4Very low147 Ų147140.6 Ų140.679%0.78677%0.772SS**  cis-133.1137.442.7-69.3-64.6000113.7D53D51-D53 PolarHBondContact O-N 2.99Å
52F49.2Very low47.3Very low194 Ų194144.1 Ų144.185%0.85177%0.77SS**  trans-75103.5155.3-88.7-103.5000106.3
53D46.7Very low48.1Very low137 Ų137138.1 Ų138.173%0.73375%0.751SS**  trans-99.492.1153.9-114.2-54.8000106.3D51 E55D51-D53 PolarHBondContact O-N 2.99Å; D53-E55 PolarHBondContact O-N 3.03Å
54D54.3Low49.4Very low138 Ų138138 Ų13874%0.73874%0.738SS**  trans-62.281.8157-84.2-72.6000107.3
55E47.7Very low50.4Low176 Ų176143.4 Ų143.482%0.82273%0.733SS**  trans-104.5102.8163.5-135-172.3124.900108.3D53 G57D53-E55 PolarHBondContact O-N 3.03Å; E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 3.45Å
56D54.6Low51.4Low158 Ų158139.9 Ų139.985%0.84572%0.72SS**  trans-44.287.6172.6-82.9-53.1000112.3
57G50.5Low52.8Low71 Ų71132.8 Ų132.873%0.73270%0.7SS**  trans-107.446.3167.900000111.1E55 G59E55-G57 VanDerWaalsContact C-N 3.31Å; E55-G57 PolarHBondContact O-N 3.45Å; G57-G59 PolarHBondContact O-N 2.89Å
58E52.2Low54.4Low153 Ų153127.1 Ų127.172%0.71568%0.683SS**  trans-65.873.7163.9-78.4-157.2140.600109.5
59G46.7Very low56.3Low30 Ų30124.7 Ų124.731%0.30967%0.667SS.*  trans-62.1142.8170.700000109.8G57 S61G57-G59 PolarHBondContact O-N 2.89Å; G59-S61 PolarHBondContact O-N 3.41Å
60P56Low58.4Low117 Ų117126 Ų12676%0.7666%0.659SS**Hα-helixtrans-61.50.3177.825.4-34.1000114.1S64P60-S64 WeakPolarHBondContact O-CB 3.12Å; P60-S64 PolarHBondContact O-N 3.24Å
61S58.4Low60.1Low77 Ų77122.3 Ų122.354%0.53864%0.642SS.*Hα-helixtrans-82.5-30.2-172.565.50000114.7G59 R65G59-S61 PolarHBondContact O-N 3.41Å; S61-R65 WeakPolarHBondContact O-CB 3.29Å; S61-R65 WeakPolarHBondContact O-CG 3.2Å; S61-R65 PolarHBondContact O-N 3Å; S61-R65 VanDerWaalsContact O-N 3.11Å
62K58.1Low62.7Low170 Ų170116.8 Ų116.874%0.73961%0.611SS**Hα-helixtrans-77.6-48.4178.1-72.8-177.2-179.7173.40111.6S64 R65 E66K62-S64 VanDerWaalsContact C-N 3.33Å; K62-S64 PolarHBondContact O-N 3.07Å; K62-R65 PolarHBondContact O-N 3.34Å; K62-E66 WeakPolarHBondContact O-CB 3.46Å; K62-E66 PolarHBondContact O-N 3.32Å
63F54.6Low64.6Low130 Ų130115.3 Ų115.357%0.5760%0.6SS**Hα-helixtrans-62.4-37174.4-77.6-80000112.7E66 N67F63-E66 PolarHBondContact O-N 3.22Å; F63-N67 WeakPolarHBondContact O-CB 3.27Å; F63-N67 PolarHBondContact O-N 3.18Å
64S59.9Low66.8Low78 Ų78116.3 Ų116.355%0.54559%0.593SS.*Hα-helixtrans-68.2-40.9174.1-178.10000112.8P60 K62 E66 N67 H68P60-S64 WeakPolarHBondContact O-CB 3.12Å; P60-S64 PolarHBondContact O-N 3.24Å; K62-S64 VanDerWaalsContact C-N 3.33Å; K62-S64 PolarHBondContact O-N 3.07Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 PolarHBondContact O-N 3.21Å; S64-N67 PolarHBondContact O-N 2.95Å; S64-H68 WeakPolarHBondContact O-CB 3.18Å; S64-H68 PolarHBondContact O-N 3.09Å
65R62.5Low68.6Low195 Ų195117.3 Ų117.374%0.73659%0.587SS**Hα-helixtrans-64.2-37173-85.917575.4166.51.9112.5S61 K62 S69S61-R65 WeakPolarHBondContact O-CB 3.29Å; S61-R65 WeakPolarHBondContact O-CG 3.2Å; S61-R65 PolarHBondContact O-N 3Å; S61-R65 VanDerWaalsContact O-N 3.11Å; K62-R65 PolarHBondContact O-N 3.34Å; R65-S69 VanDerWaalsContact O-CB 3.32Å; R65-S69 WeakPolarHBondContact O-CB 3.38Å; R65-S69 PolarHBondContact O-N 3.17Å; R65-S69 PolarHBondContact O-OG 2.94Å
66E64.8Low70.8Confident132 Ų132115.7 Ų115.762%0.61757%0.573SS**Hα-helixtrans-71.1-42.4178.6-172.3145.8-138.600111.7K62 F63 S64 H68 S69 E70K62-E66 WeakPolarHBondContact O-CB 3.46Å; K62-E66 PolarHBondContact O-N 3.32Å; F63-E66 PolarHBondContact O-N 3.22Å; S64-E66 VanDerWaalsContact C-N 3.34Å; S64-E66 PolarHBondContact O-N 3.21Å; E66-H68 PolarHBondContact O-N 3.09Å; E66-S69 WeakPolarHBondContact O-CB 3.43Å; E66-S69 PolarHBondContact O-N 3.2Å; E66-E70 PolarHBondContact O-N 3.08Å
67N74.6Confident72.7Confident95 Ų95113.1 Ų113.151%0.50856%0.559SS.*Hα-helixtrans-60.2-44.2172.2-168.5-86.4000111.9F63 S64 S69 E70 I71F63-N67 WeakPolarHBondContact O-CB 3.27Å; F63-N67 PolarHBondContact O-N 3.18Å; S64-N67 PolarHBondContact O-N 2.95Å; N67-S69 VanDerWaalsContact C-N 3.35Å; N67-S69 PolarHBondContact O-N 2.88Å; N67-E70 PolarHBondContact O-N 3.28Å; N67-I71 VanDerWaalsContact O-CG1 3.31Å; N67-I71 WeakPolarHBondContact O-CG1 3.3Å; N67-I71 PolarHBondContact O-N 3.34Å; N67-I71 WeakPolarHBondContact OD1-CD1 3.41Å
68H78.9Confident74.8Confident126 Ų126115.1 Ų115.158%0.58355%0.548SS*.Hα-helixtrans-62.9-40.7174.5-172.273.2000112.4S64 E66 E70 I71 E72S64-H68 WeakPolarHBondContact O-CB 3.18Å; S64-H68 PolarHBondContact O-N 3.09Å; E66-H68 PolarHBondContact O-N 3.09Å; H68-E70 VanDerWaalsContact C-N 3.3Å; H68-E70 PolarHBondContact O-N 3.16Å; H68-I71 PolarHBondContact O-N 2.78Å; H68-E72 WeakPolarHBondContact O-CB 3.49Å; H68-E72 PolarHBondContact O-N 3.41Å
69S83.3Confident76.7Confident68 Ų68112.6 Ų112.648%0.47654%0.537SS..Hα-helixtrans-65.4-34.5177-61.10000112.1R65 E66 N67 R73R65-S69 VanDerWaalsContact O-CB 3.32Å; R65-S69 WeakPolarHBondContact O-CB 3.38Å; R65-S69 PolarHBondContact O-N 3.17Å; R65-S69 PolarHBondContact O-OG 2.94Å; E66-S69 WeakPolarHBondContact O-CB 3.43Å; E66-S69 PolarHBondContact O-N 3.2Å; N67-S69 VanDerWaalsContact C-N 3.35Å; N67-S69 PolarHBondContact O-N 2.88Å; S69-R73 WeakPolarHBondContact O-CB 3.47Å; S69-R73 PolarHBondContact O-N 3.41Å
70E86.6Confident78.9Confident81 Ų81113.6 Ų113.638%0.37954%0.537SS..Hα-helixtrans-71.1-42175.8-163.3-175.817100112.1E66 N67 H68 E72 R73 R74E66-E70 PolarHBondContact O-N 3.08Å; N67-E70 PolarHBondContact O-N 3.28Å; H68-E70 VanDerWaalsContact C-N 3.3Å; H68-E70 PolarHBondContact O-N 3.16Å; E70-E72 VanDerWaalsContact C-N 3.32Å; E70-E72 PolarHBondContact O-N 2.66Å; E70-R73 WeakPolarHBondContact O-CB 3.22Å; E70-R73 PolarHBondContact O-N 3.46Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.05Å; E70-R74 IonicContact OE1-CZ 2.82Å; E70-R74 IonicContact OE1-NE 3.8Å; E70-R74 PolarHBondContact OE1-NE 2.93Å; E70-R74 IonicContact OE1-NH2 3.53Å; E70-R74 PolarHBondContact OE1-NH2 3.49Å; E70-R74 IonicContact OE2-NH2 3.86Å
71I85.3Confident80.7Confident96 Ų96113.1 Ų113.149%0.49253%0.525SS..Hα-helixtrans-59.7-44.7174-68.4165.4000110.5N67 H68 R73 R74 R75N67-I71 VanDerWaalsContact O-CG1 3.31Å; N67-I71 WeakPolarHBondContact O-CG1 3.3Å; N67-I71 PolarHBondContact O-N 3.34Å; N67-I71 WeakPolarHBondContact OD1-CD1 3.41Å; H68-I71 PolarHBondContact O-N 2.78Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 2.99Å; I71-R74 PolarHBondContact O-N 2.88Å; I71-R75 PolarHBondContact O-N 3.37Å
72E91Very high82.5Confident30 Ų30115.5 Ų115.514%0.1452%0.523CS..Hα-helixtrans-63.7-40176.7179.258.3-152.700111.7H68 E70 R75 R76H68-E72 WeakPolarHBondContact O-CB 3.49Å; H68-E72 PolarHBondContact O-N 3.41Å; E70-E72 VanDerWaalsContact C-N 3.32Å; E70-E72 PolarHBondContact O-N 2.66Å; E72-R75 PolarHBondContact O-N 2.85Å; E72-R75 IonicContact OE1-CZ 3.47Å; E72-R75 IonicContact OE1-NE 2.76Å; E72-R75 IonicContact OE1-NH2 3.54Å; E72-R75 PolarHBondContact OE1-NH2 3.45Å; E72-R75 IonicContact OE2-CZ 2.93Å; E72-R75 IonicContact OE2-NE 2.96Å; E72-R75 IonicContact OE2-NH1 2.86Å; E72-R75 PolarHBondContact OE2-NH1 2.88Å; E72-R75 IonicContact OE2-NH2 3.38Å; E72-R75 PolarHBondContact OE2-NH2 2.99Å; E72-R76 VanDerWaalsContact CG-NH2 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.47Å; E72-R76 IonicContact OE1-CZ 2.86Å; E72-R76 IonicContact OE1-NE 3.68Å; E72-R76 PolarHBondContact OE1-NE 2.83Å; E72-R76 IonicContact OE1-NH2 2.72Å; E72-R76 PolarHBondContact OE1-NH2 3.2Å
73R90.9Very high84.1Confident164 Ų164108.3 Ų108.362%0.61949%0.493SS*.Hα-helixtrans-60.5-46.8173.7-171.1-171.9-62.5174.41.4111.3S69 E70 I71 R75 R76 N77S69-R73 WeakPolarHBondContact O-CB 3.47Å; S69-R73 PolarHBondContact O-N 3.41Å; E70-R73 WeakPolarHBondContact O-CB 3.22Å; E70-R73 PolarHBondContact O-N 3.46Å; I71-R73 VanDerWaalsContact C-N 3.34Å; I71-R73 PolarHBondContact O-N 2.99Å; R73-R75 VanDerWaalsContact C-N 3.33Å; R73-R75 PolarHBondContact O-N 3.06Å; R73-R76 PolarHBondContact O-N 3.25Å; R73-N77 VanDerWaalsContact O-CG 3.29Å; R73-N77 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact O-OD1 2.85Å
74R91Very high85.9Confident158 Ų158104.5 Ų104.560%0.59648%0.48SS*.Hα-helixtrans-60.7-40.9176.5-69.4176.3-171.9-171.93.6111.5E70 I71 N77 K78E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.05Å; E70-R74 IonicContact OE1-CZ 2.82Å; E70-R74 IonicContact OE1-NE 3.8Å; E70-R74 PolarHBondContact OE1-NE 2.93Å; E70-R74 IonicContact OE1-NH2 3.53Å; E70-R74 PolarHBondContact OE1-NH2 3.49Å; E70-R74 IonicContact OE2-NH2 3.86Å; I71-R74 PolarHBondContact O-N 2.88Å; R74-N77 PolarHBondContact O-N 2.87Å; R74-K78 WeakPolarHBondContact O-CB 3.33Å; R74-K78 PolarHBondContact O-N 2.97Å
75R93.5Very high87.5Confident158 Ų158104.7 Ų104.760%0.59647%0.472SS*.Hα-helixtrans-60.8-44.7174.6-164.3-173.980.2-155.9-1112I71 E72 R73 K78 M79I71-R75 PolarHBondContact O-N 3.37Å; E72-R75 PolarHBondContact O-N 2.85Å; E72-R75 IonicContact OE1-CZ 3.47Å; E72-R75 IonicContact OE1-NE 2.76Å; E72-R75 IonicContact OE1-NH2 3.54Å; E72-R75 PolarHBondContact OE1-NH2 3.45Å; E72-R75 IonicContact OE2-CZ 2.93Å; E72-R75 IonicContact OE2-NE 2.96Å; E72-R75 IonicContact OE2-NH1 2.86Å; E72-R75 PolarHBondContact OE2-NH1 2.88Å; E72-R75 IonicContact OE2-NH2 3.38Å; E72-R75 PolarHBondContact OE2-NH2 2.99Å; R73-R75 VanDerWaalsContact C-N 3.33Å; R73-R75 PolarHBondContact O-N 3.06Å; R75-K78 PolarHBondContact O-N 3.37Å; R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 PolarHBondContact O-N 3.39Å
76R93.9Very high88.9Confident143 Ų14397.7 Ų97.754%0.5445%0.449SS..Hα-helixtrans-66-39177.9-69.9175.7-164.9163.71.6112.6E72 R73 M79 T80E72-R76 VanDerWaalsContact CG-NH2 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.46Å; E72-R76 PolarHBondContact O-N 3.47Å; E72-R76 IonicContact OE1-CZ 2.86Å; E72-R76 IonicContact OE1-NE 3.68Å; E72-R76 PolarHBondContact OE1-NE 2.83Å; E72-R76 IonicContact OE1-NH2 2.72Å; E72-R76 PolarHBondContact OE1-NH2 3.2Å; R73-R76 PolarHBondContact O-N 3.25Å; R76-M79 PolarHBondContact O-N 3.25Å; R76-T80 WeakPolarHBondContact O-CB 3.25Å; R76-T80 PolarHBondContact O-N 3.17Å; R76-T80 PolarHBondContact O-OG1 3.2Å
77N94.4Very high90.2Very high103 Ų10391.7 Ų91.755%0.55142%0.422SS*.Hα-helixtrans-64.7-45.9176-69.4-5.5000110.6R73 R74 M79 T80 Q81R73-N77 VanDerWaalsContact O-CG 3.29Å; R73-N77 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact O-OD1 2.85Å; R74-N77 PolarHBondContact O-N 2.87Å; N77-M79 PolarHBondContact O-N 2.76Å; N77-T80 WeakPolarHBondContact O-CB 3.32Å; N77-T80 PolarHBondContact O-N 3.49Å; N77-T80 VanDerWaalsContact O-N 3.14Å; N77-Q81 PolarHBondContact O-N 2.77Å
78K94.2Very high90.9Very high113 Ų11391.6 Ų91.649%0.49142%0.421SS..Hα-helixtrans-62.8-42176.3-170.7167.8-178.9172.80112.7R74 R75 T80 Q81 Y82R74-K78 WeakPolarHBondContact O-CB 3.33Å; R74-K78 PolarHBondContact O-N 2.97Å; R75-K78 PolarHBondContact O-N 3.37Å; K78-T80 VanDerWaalsContact C-N 3.31Å; K78-T80 PolarHBondContact O-N 3.26Å; K78-Q81 WeakPolarHBondContact O-CB 3.32Å; K78-Q81 PolarHBondContact O-N 2.88Å; K78-Y82 HydrophobicContact CD-CE2 4.2Å; K78-Y82 WeakPolarHBondContact CE-OH 3.35Å; K78-Y82 HydrophobicContact CG-CD2 4.2Å; K78-Y82 HydrophobicContact CG-CE2 3.63Å; K78-Y82 WeakPolarHBondContact O-CD2 3.1Å; K78-Y82 PolarHBondContact O-N 3.22Å
79M92.7Very high91.3Very high100 Ų10092.1 Ų92.149%0.49343%0.425SS..Hα-helixtrans-61.8-40.8173.1-174.2-178.978.600111.6R75 R76 N77 Q81 Y82 I83R75-M79 WeakPolarHBondContact O-CB 3.35Å; R75-M79 PolarHBondContact O-N 3.39Å; R76-M79 PolarHBondContact O-N 3.25Å; N77-M79 PolarHBondContact O-N 2.76Å; M79-Q81 VanDerWaalsContact C-N 3.32Å; M79-Q81 PolarHBondContact O-N 3.3Å; M79-Y82 PolarHBondContact O-N 3.22Å; M79-I83 VanDerWaalsContact O-CG1 3.29Å; M79-I83 WeakPolarHBondContact O-CG1 3.25Å; M79-I83 PolarHBondContact O-N 3.14Å
80T93.1Very high91.6Very high51 Ų5189 Ų8931%0.31340%0.404SS..Hα-helixtrans-66.3-37178.6-55.90000111.7R76 N77 K78 I83 T84 K102R76-T80 WeakPolarHBondContact O-CB 3.25Å; R76-T80 PolarHBondContact O-N 3.17Å; R76-T80 PolarHBondContact O-OG1 3.2Å; N77-T80 WeakPolarHBondContact O-CB 3.32Å; N77-T80 PolarHBondContact O-N 3.49Å; N77-T80 VanDerWaalsContact O-N 3.14Å; K78-T80 VanDerWaalsContact C-N 3.31Å; K78-T80 PolarHBondContact O-N 3.26Å; T80-I83 PolarHBondContact O-N 2.94Å; T80-T84 PolarHBondContact O-N 3.35Å; T80-T84 VanDerWaalsContact O-N 3.15Å; T80-T84 PolarHBondContact O-OG1 3.23Å; T80-K102 PolarHBondContact OG1-NZ 3.33Å
81Q94Very high91.5Very high107 Ų10788.7 Ų88.750%0.541%0.408SS..Hα-helixtrans-60-51.9171.5-179.6-179.9600111.1N77 K78 M79 I83 T84 E85N77-Q81 PolarHBondContact O-N 2.77Å; K78-Q81 WeakPolarHBondContact O-CB 3.32Å; K78-Q81 PolarHBondContact O-N 2.88Å; M79-Q81 VanDerWaalsContact C-N 3.32Å; M79-Q81 PolarHBondContact O-N 3.3Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.45Å; Q81-T84 WeakPolarHBondContact O-CA 3.49Å; Q81-T84 WeakPolarHBondContact O-CB 3.36Å; Q81-T84 PolarHBondContact O-N 3.21Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.49Å; Q81-E85 PolarHBondContact NE2-OE1 3.24Å; Q81-E85 PolarHBondContact O-N 2.81Å
82Y94.8Very high91.4Very high128 Ų12887.7 Ų87.750%0.50241%0.407SS..Hα-helixtrans-59.5-37.6179-68.4-39000113.6K78 M79 T84 L86K78-Y82 HydrophobicContact CD-CE2 4.2Å; K78-Y82 WeakPolarHBondContact CE-OH 3.35Å; K78-Y82 HydrophobicContact CG-CD2 4.2Å; K78-Y82 HydrophobicContact CG-CE2 3.63Å; K78-Y82 WeakPolarHBondContact O-CD2 3.1Å; K78-Y82 PolarHBondContact O-N 3.22Å; M79-Y82 PolarHBondContact O-N 3.22Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 2.86Å; Y82-L86 WeakPolarHBondContact O-CB 3.31Å; Y82-L86 PolarHBondContact O-N 2.85Å
83I92.9Very high91.1Very high19 Ų1986.5 Ų86.510%0.09740%0.402CS..Hα-helixtrans-66.2-33.4175.5-65.9-68.8000111.6M79 T80 Q81 S87 K102 I105 L106M79-I83 VanDerWaalsContact O-CG1 3.29Å; M79-I83 WeakPolarHBondContact O-CG1 3.25Å; M79-I83 PolarHBondContact O-N 3.14Å; T80-I83 PolarHBondContact O-N 2.94Å; Q81-I83 VanDerWaalsContact C-N 3.3Å; Q81-I83 PolarHBondContact O-N 3.45Å; I83-S87 PolarHBondContact O-N 3.37Å; I83-K102 HydrophobicContact CG2-CB 4.3Å; I83-K102 HydrophobicContact CG2-CG 4.1Å; I83-I105 HydrophobicContact CG2-CB 4.31Å; I83-I105 HydrophobicContact CG2-CD1 3.67Å; I83-I105 HydrophobicContact CG2-CG2 4.14Å; I83-L106 HydrophobicContact CD1-CD1 4.2Å; I83-L106 HydrophobicContact CD1-CD2 3.62Å; I83-L106 HydrophobicContact CD1-CG 3.88Å
84T90.9Very high90.9Very high50 Ų5081.7 Ų81.731%0.30739%0.394SS..Hα-helixtrans-73-46.5178.4-520000111T80 Q81 Y82 L86 S87 D88T80-T84 PolarHBondContact O-N 3.35Å; T80-T84 VanDerWaalsContact O-N 3.15Å; T80-T84 PolarHBondContact O-OG1 3.23Å; Q81-T84 WeakPolarHBondContact O-CA 3.49Å; Q81-T84 WeakPolarHBondContact O-CB 3.36Å; Q81-T84 PolarHBondContact O-N 3.21Å; Y82-T84 VanDerWaalsContact C-N 3.28Å; Y82-T84 PolarHBondContact O-N 2.86Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.34Å; T84-S87 PolarHBondContact O-N 3.24Å; T84-S87 VanDerWaalsContact O-N 3.13Å; T84-S87 PolarHBondContact O-OG 2.84Å; T84-D88 PolarHBondContact O-N 3.28Å
85E93.9Very high90.5Very high82 Ų8278.2 Ų78.238%0.38340%0.398SS..Hα-helixtrans-59.6-39.8174-69.4172.5-166.400110.9Q81 D88 M89Q81-E85 WeakPolarHBondContact CG-OE1 3.49Å; Q81-E85 PolarHBondContact NE2-OE1 3.24Å; Q81-E85 PolarHBondContact O-N 2.81Å; E85-D88 PolarHBondContact O-N 3.27Å; E85-M89 WeakPolarHBondContact O-CG 3.46Å; E85-M89 PolarHBondContact O-N 2.62Å; E85-M89 VanDerWaalsContact O-N 3.11Å
86L92.6Very high90Very high48 Ų4874.9 Ų74.925%0.25139%0.392SS..Hα-helixtrans-63.7-39.7174.9-177.363.8000112.7Y82 T84 D88 M89 V90 I105 L106 A109Y82-L86 WeakPolarHBondContact O-CB 3.31Å; Y82-L86 PolarHBondContact O-N 2.85Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.34Å; L86-D88 PolarHBondContact O-N 3.35Å; L86-M89 HydrophobicContact CD1-CE 4.37Å; L86-M89 PolarHBondContact O-N 3.34Å; L86-V90 HydrophobicContact CD1-CG2 4.12Å; L86-V90 HydrophobicContact CG-CG2 4.43Å; L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 2.83Å; L86-I105 HydrophobicContact CD2-CG2 4.42Å; L86-I105 HydrophobicContact CG-CG2 4.44Å; L86-L106 HydrophobicContact CD2-CD2 3.99Å; L86-A109 HydrophobicContact CD1-CB 4.13Å; L86-A109 HydrophobicContact CD2-CB 3.9Å; L86-A109 HydrophobicContact CG-CB 4.11Å
87S91.3Very high89.1Confident5 Ų573.9 Ų73.94%0.03541%0.414CS..Hα-helixtrans-64.7-32.1177.762.90000112.5I83 T84 C93 S94I83-S87 PolarHBondContact O-N 3.37Å; T84-S87 PolarHBondContact O-N 3.24Å; T84-S87 VanDerWaalsContact O-N 3.13Å; T84-S87 PolarHBondContact O-OG 2.84Å; S87-C93 VanDerWaalsContact O-CB 3.31Å; S87-C93 WeakPolarHBondContact O-CB 3.24Å; S87-S94 PolarHBondContact O-N 2.96Å
88D89.9Confident88.7Confident94 Ų9479.2 Ų79.250%0.50343%0.427SS..Hα-helixtrans-76.1-33.3179.6-60.5-15.4000111.1T84 E85 L86T84-D88 PolarHBondContact O-N 3.28Å; E85-D88 PolarHBondContact O-N 3.27Å; L86-D88 PolarHBondContact O-N 3.35Å
89M88.2Confident88Confident136 Ų13680.7 Ų80.767%0.6743%0.433SS*.Hα-helixtrans-75.9-19.5176-70.3-172.2-68.100114.5E85 L86 P91E85-M89 WeakPolarHBondContact O-CG 3.46Å; E85-M89 PolarHBondContact O-N 2.62Å; E85-M89 VanDerWaalsContact O-N 3.11Å; L86-M89 HydrophobicContact CD1-CE 4.37Å; L86-M89 PolarHBondContact O-N 3.34Å; M89-P91 WeakPolarHBondContact O-CD 3.38Å
90V88.1Confident87.8Confident4 Ų477.1 Ų77.12%0.02442%0.417CS..SBendtrans-95.7112.4-178.5174.90000109.4L86 T92 C93 S94 A109 H112L86-V90 HydrophobicContact CD1-CG2 4.12Å; L86-V90 HydrophobicContact CG-CG2 4.43Å; L86-V90 VanDerWaalsContact O-CG2 3.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.43Å; L86-V90 PolarHBondContact O-N 2.83Å; V90-T92 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T92 PolarHBondContact O-N 2.91Å; V90-T92 VanDerWaalsContact O-N 3.11Å; V90-C93 HydrophobicContact CB-CB 4.06Å; V90-C93 HydrophobicContact CG1-CB 4.16Å; V90-C93 WeakPolarHBondContact O-CB 3.12Å; V90-C93 PolarHBondContact O-N 2.91Å; V90-S94 PolarHBondContact O-N 3.46Å; V90-S94 PolarHBondContact O-OG 3.08Å; V90-A109 HydrophobicContact CG2-CB 3.8Å; V90-H112 HydrophobicContact CG1-CB 4.02Å
91P84.3Confident87.7Confident73 Ų7379 Ų7947%0.47443%0.425SS..Hα-helixtrans-56.8-33.9-173-26.734.5000114.5M89 C93 S94 A95 H112M89-P91 WeakPolarHBondContact O-CD 3.38Å; P91-C93 VanDerWaalsContact C-N 3.34Å; P91-S94 PolarHBondContact O-OG 3.39Å; P91-A95 VanDerWaalsContact O-CB 3.28Å; P91-A95 WeakPolarHBondContact O-CB 3.06Å; P91-A95 PolarHBondContact O-N 3.4Å; P91-H112 WeakPolarHBondContact CD-NE2 3.31Å
92T84.2Confident87.6Confident76 Ų7678.4 Ų78.447%0.46642%0.421SS..Hα-helixtrans-73.5-25.9178.753.90000112.8V90 M108V90-T92 WeakPolarHBondContact CG1-OG1 3.48Å; V90-T92 PolarHBondContact O-N 2.91Å; V90-T92 VanDerWaalsContact O-N 3.11Å; T92-M108 VanDerWaalsContact CB-CE 3.5Å; T92-M108 WeakPolarHBondContact O-CE 3.48Å; T92-M108 WeakPolarHBondContact OG1-CE 3.44Å
93C83.9Confident87.5Confident5 Ų576.7 Ų76.73%0.03442%0.42CS..Hα-helixtrans-86.5-41.7176.5-67.50000111.7S87 V90 P91 A95 L96 M108S87-C93 VanDerWaalsContact O-CB 3.31Å; S87-C93 WeakPolarHBondContact O-CB 3.24Å; V90-C93 HydrophobicContact CB-CB 4.06Å; V90-C93 HydrophobicContact CG1-CB 4.16Å; V90-C93 WeakPolarHBondContact O-CB 3.12Å; V90-C93 PolarHBondContact O-N 2.91Å; P91-C93 VanDerWaalsContact C-N 3.34Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 3.22Å; C93-L96 PolarHBondContact O-N 3.43Å; C93-M108 WeakPolarHBondContact SG-CB 3.39Å
94S86.9Confident87.4Confident63 Ų6377.8 Ų77.844%0.44143%0.428SS..Hα-helixtrans-71.8-27.1-176.263.90000113.1S87 V90 P91 L96S87-S94 PolarHBondContact O-N 2.96Å; V90-S94 PolarHBondContact O-N 3.46Å; V90-S94 PolarHBondContact O-OG 3.08Å; P91-S94 PolarHBondContact O-OG 3.39Å; S94-L96 PolarHBondContact O-N 3.47Å
95A82.4Confident87.5Confident84 Ų8475.8 Ų75.869%0.69442%0.415SS*.THydrogen-bonded Turntrans-74.2-8176.400000114.3P91 C93P91-A95 VanDerWaalsContact O-CB 3.28Å; P91-A95 WeakPolarHBondContact O-CB 3.06Å; P91-A95 PolarHBondContact O-N 3.4Å; C93-A95 VanDerWaalsContact C-N 3.33Å; C93-A95 PolarHBondContact O-N 3.22Å
96L83.8Confident87.5Confident89 Ų8975.5 Ų75.547%0.46642%0.416SS..  trans-86126.6-179.4-67171.5000111.3C93 S94 R98 P100 M108C93-L96 PolarHBondContact O-N 3.43Å; S94-L96 PolarHBondContact O-N 3.47Å; L96-R98 PolarHBondContact O-N 3.22Å; L96-R98 VanDerWaalsContact O-N 3.14Å; L96-P100 HydrophobicContact CD1-CG 4.08Å; L96-M108 HydrophobicContact CD1-CE 4.15Å
97A74.9Confident87.4Confident121 Ų12181 Ų81100%143%0.433SS*.SBendtrans-63-19.4177.200000113.9
98R85.9Confident87.4Confident216 Ų21682.7 Ų82.782%0.81544%0.441SS*.SBendtrans-120.1126174.5-173.8176.1178.9154.20.4109.4L96 P100L96-R98 PolarHBondContact O-N 3.22Å; L96-R98 VanDerWaalsContact O-N 3.14Å; R98-P100 WeakPolarHBondContact O-CD 3.37Å
99K80.5Confident87.5Confident143 Ų14378.5 Ų78.562%0.62242%0.419SS*.PPolyproline II helixtrans-60.5120.1178.5-68.8-166.2175.6-1660110.1
100P87.3Confident87.6Confident26 Ų2675.1 Ų75.117%0.16941%0.406CS..PPolyproline II helixtrans-66.8164.1177.121.9-26.1000111.3L96 R98 T104 I105L96-P100 HydrophobicContact CD1-CG 4.08Å; R98-P100 WeakPolarHBondContact O-CD 3.37Å; P100-T104 HydrophobicContact CB-CG2 3.83Å; P100-I105 HydrophobicContact CB-CG1 4.37Å; P100-I105 HydrophobicContact CG-CG1 3.75Å; P100-I105 WeakPolarHBondContact O-CD1 2.86Å
101D91.9Very high87.5Confident90 Ų9078.5 Ų78.548%0.48143%0.43SS..PPolyproline II helixtrans-65.1156.9176.364.8-71.7000111.7L103 T104 I105D101-L103 PolarHBondContact O-N 3.46Å; D101-L103 VanDerWaalsContact O-N 3.13Å; D101-L103 WeakPolarHBondContact OD2-CB 3.46Å; D101-L103 PolarHBondContact OD2-N 3.18Å; D101-T104 VanDerWaalsContact CG-OG1 3.24Å; D101-T104 PolarHBondContact O-N 3.28Å; D101-T104 WeakPolarHBondContact OD1-CB 3.45Å; D101-T104 PolarHBondContact OD1-OG1 2.84Å; D101-T104 PolarHBondContact OD2-N 2.97Å; D101-T104 PolarHBondContact OD2-OG1 3.36Å; D101-I105 PolarHBondContact O-N 3.22Å
102K90.9Very high87.5Confident94 Ų9477.4 Ų77.441%0.40942%0.419SS..Hα-helixtrans-55.4-35.9-175-63.6-171.9175.8-178.60113T80 I83 L106T80-K102 PolarHBondContact OG1-NZ 3.33Å; I83-K102 HydrophobicContact CG2-CB 4.3Å; I83-K102 HydrophobicContact CG2-CG 4.1Å; K102-L106 WeakPolarHBondContact O-CG 3.31Å; K102-L106 PolarHBondContact O-N 3.28Å
103L92.7Very high87.5Confident92 Ų9278.1 Ų78.148%0.48242%0.418SS..Hα-helixtrans-72.3-41.7179.717961.7000111D101 L106 R107D101-L103 PolarHBondContact O-N 3.46Å; D101-L103 VanDerWaalsContact O-N 3.13Å; D101-L103 WeakPolarHBondContact OD2-CB 3.46Å; D101-L103 PolarHBondContact OD2-N 3.18Å; L103-L106 PolarHBondContact O-N 3.15Å; L103-R107 WeakPolarHBondContact O-CG 3.44Å; L103-R107 PolarHBondContact O-N 3.16Å
104T91.5Very high87.4Confident42 Ų4285 Ų8526%0.25845%0.447SS..Hα-helixtrans-63.7-42174.9-63.50000112.2P100 D101 L106 R107 M108P100-T104 HydrophobicContact CB-CG2 3.83Å; D101-T104 VanDerWaalsContact CG-OG1 3.24Å; D101-T104 PolarHBondContact O-N 3.28Å; D101-T104 WeakPolarHBondContact OD1-CB 3.45Å; D101-T104 PolarHBondContact OD1-OG1 2.84Å; D101-T104 PolarHBondContact OD2-N 2.97Å; D101-T104 PolarHBondContact OD2-OG1 3.36Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.28Å; T104-R107 PolarHBondContact O-N 3.21Å; T104-R107 VanDerWaalsContact O-N 3.14Å; T104-M108 HydrophobicContact CG2-CG 4.18Å; T104-M108 HydrophobicContact CG2-SD 3.61Å; T104-M108 WeakPolarHBondContact O-CB 3.18Å; T104-M108 VanDerWaalsContact O-CG 3.3Å; T104-M108 WeakPolarHBondContact O-CG 3.29Å; T104-M108 PolarHBondContact O-N 3.47Å
105I92.3Very high87Confident9 Ų986.2 Ų86.25%0.04646%0.456CS..Hα-helixtrans-54.1-47.6173.2-66.5166.2000110.4I83 L86 P100 D101 M108 A109I83-I105 HydrophobicContact CG2-CB 4.31Å; I83-I105 HydrophobicContact CG2-CD1 3.67Å; I83-I105 HydrophobicContact CG2-CG2 4.14Å; L86-I105 HydrophobicContact CD2-CG2 4.42Å; L86-I105 HydrophobicContact CG-CG2 4.44Å; P100-I105 HydrophobicContact CB-CG1 4.37Å; P100-I105 HydrophobicContact CG-CG1 3.75Å; P100-I105 WeakPolarHBondContact O-CD1 2.86Å; D101-I105 PolarHBondContact O-N 3.22Å; I105-M108 PolarHBondContact O-N 2.84Å; I105-A109 VanDerWaalsContact O-CB 3.29Å; I105-A109 WeakPolarHBondContact O-CB 3.23Å; I105-A109 PolarHBondContact O-N 2.83Å
106L93.6Very high86.3Confident76 Ų7688.2 Ų88.240%0.39845%0.452SS..Hα-helixtrans-64.3-42.2178.3-70.1173.6000112.5I83 L86 K102 L103 T104 M108 A109 V110I83-L106 HydrophobicContact CD1-CD1 4.2Å; I83-L106 HydrophobicContact CD1-CD2 3.62Å; I83-L106 HydrophobicContact CD1-CG 3.88Å; L86-L106 HydrophobicContact CD2-CD2 3.99Å; K102-L106 WeakPolarHBondContact O-CG 3.31Å; K102-L106 PolarHBondContact O-N 3.28Å; L103-L106 PolarHBondContact O-N 3.15Å; T104-L106 VanDerWaalsContact C-N 3.29Å; T104-L106 PolarHBondContact O-N 3.28Å; L106-M108 PolarHBondContact O-N 2.88Å; L106-A109 PolarHBondContact O-N 2.87Å; L106-V110 WeakPolarHBondContact O-CB 3.37Å; L106-V110 VanDerWaalsContact O-CG2 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.4Å; L106-V110 PolarHBondContact O-N 2.93Å
107R91.4Very high85.6Confident162 Ų16291.4 Ų91.461%0.61146%0.458SS*.Hα-helixtrans-62.9-42.5177.9-74.1173.4174.5-179.2-1.9111.8L103 T104 V110 S111L103-R107 WeakPolarHBondContact O-CG 3.44Å; L103-R107 PolarHBondContact O-N 3.16Å; T104-R107 PolarHBondContact O-N 3.21Å; T104-R107 VanDerWaalsContact O-N 3.14Å; R107-V110 PolarHBondContact O-N 2.88Å; R107-S111 WeakPolarHBondContact O-CB 3.34Å; R107-S111 PolarHBondContact O-N 3.02Å
108M90.9Very high84.6Confident42 Ų4288 Ų8821%0.20743%0.434CS..Hα-helixtrans-69.4-40.5177.4-69174.870.500111.5T92 C93 L96 T104 I105 L106 V110 S111 H112T92-M108 VanDerWaalsContact CB-CE 3.5Å; T92-M108 WeakPolarHBondContact O-CE 3.48Å; T92-M108 WeakPolarHBondContact OG1-CE 3.44Å; C93-M108 WeakPolarHBondContact SG-CB 3.39Å; L96-M108 HydrophobicContact CD1-CE 4.15Å; T104-M108 HydrophobicContact CG2-CG 4.18Å; T104-M108 HydrophobicContact CG2-SD 3.61Å; T104-M108 WeakPolarHBondContact O-CB 3.18Å; T104-M108 VanDerWaalsContact O-CG 3.3Å; T104-M108 WeakPolarHBondContact O-CG 3.29Å; T104-M108 PolarHBondContact O-N 3.47Å; I105-M108 PolarHBondContact O-N 2.84Å; L106-M108 PolarHBondContact O-N 2.88Å; M108-V110 PolarHBondContact O-N 3.21Å; M108-S111 WeakPolarHBondContact O-CB 3.25Å; M108-S111 PolarHBondContact O-N 2.97Å; M108-H112 WeakPolarHBondContact O-CB 3.11Å; M108-H112 PolarHBondContact O-N 3.49Å
109A91.3Very high82.8Confident5 Ų585 Ų854%0.04144%0.44CS..Hα-helixtrans-60.9-43.8173.100000112L86 V90 I105 L106 S111 H112 M113L86-A109 HydrophobicContact CD1-CB 4.13Å; L86-A109 HydrophobicContact CD2-CB 3.9Å; L86-A109 HydrophobicContact CG-CB 4.11Å; V90-A109 HydrophobicContact CG2-CB 3.8Å; I105-A109 VanDerWaalsContact O-CB 3.29Å; I105-A109 WeakPolarHBondContact O-CB 3.23Å; I105-A109 PolarHBondContact O-N 2.83Å; L106-A109 PolarHBondContact O-N 2.87Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.28Å; A109-H112 PolarHBondContact O-N 2.86Å; A109-M113 WeakPolarHBondContact O-CB 3.05Å; A109-M113 WeakPolarHBondContact O-CG 3.38Å; A109-M113 PolarHBondContact O-N 2.84Å
110V90.3Very high81.4Confident65 Ų6580.4 Ų80.439%0.39443%0.434SS..Hα-helixtrans-63.3-41.1175.1169.80000111L106 R107 M108 M113 K114L106-V110 WeakPolarHBondContact O-CB 3.37Å; L106-V110 VanDerWaalsContact O-CG2 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.4Å; L106-V110 PolarHBondContact O-N 2.93Å; R107-V110 PolarHBondContact O-N 2.88Å; M108-V110 PolarHBondContact O-N 3.21Å; V110-M113 HydrophobicContact CG2-CE 4.35Å; V110-K114 HydrophobicContact CG1-CD 4.06Å; V110-K114 HydrophobicContact CG1-CG 4.43Å; V110-K114 WeakPolarHBondContact O-CB 3.21Å; V110-K114 VanDerWaalsContact O-CG 3.26Å; V110-K114 WeakPolarHBondContact O-CG 3.47Å; V110-K114 PolarHBondContact O-N 2.87Å
111S87.3Confident79.4Confident76 Ų7684 Ų8453%0.53145%0.451SS..Hα-helixtrans-63.2-45.5174.9-179.60000111.9R107 M108 A109 K114 S115R107-S111 WeakPolarHBondContact O-CB 3.34Å; R107-S111 PolarHBondContact O-N 3.02Å; M108-S111 WeakPolarHBondContact O-CB 3.25Å; M108-S111 PolarHBondContact O-N 2.97Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.28Å; S111-K114 PolarHBondContact O-N 3.42Å; S111-S115 WeakPolarHBondContact O-CB 3.42Å; S111-S115 PolarHBondContact O-N 3.43Å
112H84.1Confident77Confident49 Ų4990.1 Ų90.123%0.22747%0.474CS..Hα-helixtrans-58.9-48.3175.3-179.9-112.8000111.5V90 P91 M108 A109 K114 S115 M116V90-H112 HydrophobicContact CG1-CB 4.02Å; P91-H112 WeakPolarHBondContact CD-NE2 3.31Å; M108-H112 WeakPolarHBondContact O-CB 3.11Å; M108-H112 PolarHBondContact O-N 3.49Å; A109-H112 PolarHBondContact O-N 2.86Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-K114 PolarHBondContact O-N 2.93Å; H112-S115 PolarHBondContact O-N 3.06Å; H112-M116 PolarHBondContact CE1-SD 2.99Å; H112-M116 WeakPolarHBondContact O-CG 3.36Å; H112-M116 PolarHBondContact O-N 2.98Å
113M84.1Confident74.4Confident91 Ų9189.8 Ų89.845%0.44848%0.484SS..Hα-helixtrans-63.5-37.2175.3-71.8-168.9-64.400113A109 V110 M116 R117A109-M113 WeakPolarHBondContact O-CB 3.05Å; A109-M113 WeakPolarHBondContact O-CG 3.38Å; A109-M113 PolarHBondContact O-N 2.84Å; V110-M113 HydrophobicContact CG2-CE 4.35Å; M113-M116 HydrophobicContact CG-CE 4.22Å; M113-R117 VanDerWaalsContact O-CB 3.23Å; M113-R117 WeakPolarHBondContact O-CB 3.26Å; M113-R117 WeakPolarHBondContact O-CG 3.41Å; M113-R117 PolarHBondContact O-N 2.89Å
114K81.9Confident71.9Confident149 Ų14992.2 Ų92.265%0.64850%0.502SS*.Hα-helixtrans-67.5-38.3175.9-80.1177.6177.9-177.80112.1V110 S111 H112 R117 G118V110-K114 HydrophobicContact CG1-CD 4.06Å; V110-K114 HydrophobicContact CG1-CG 4.43Å; V110-K114 WeakPolarHBondContact O-CB 3.21Å; V110-K114 VanDerWaalsContact O-CG 3.26Å; V110-K114 WeakPolarHBondContact O-CG 3.47Å; V110-K114 PolarHBondContact O-N 2.87Å; S111-K114 PolarHBondContact O-N 3.42Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-K114 PolarHBondContact O-N 2.93Å; K114-R117 CarbonylContact O-C 3.59Å; K114-R117 PolarHBondContact O-N 3.45Å; K114-G118 WeakPolarHBondContact O-CA 3.4Å; K114-G118 PolarHBondContact O-N 3.18Å
115S77.3Confident69.3Low89 Ų8997.4 Ų97.462%0.62253%0.529SS*.Hα-helixtrans-66.1-48174.7176.30000111S111 H112 R117 G118S111-S115 WeakPolarHBondContact O-CB 3.42Å; S111-S115 PolarHBondContact O-N 3.43Å; H112-S115 PolarHBondContact O-N 3.06Å; S115-R117 PolarHBondContact O-N 3.23Å; S115-G118 PolarHBondContact O-N 3.18Å; S115-G118 VanDerWaalsContact O-N 3.09Å
116M69.6Low67.2Low126 Ų126100.2 Ų100.262%0.62156%0.56SS**Hα-helixtrans-61.3-31.6174.8-68.6-169-57.100113H112 M113H112-M116 PolarHBondContact CE1-SD 2.99Å; H112-M116 WeakPolarHBondContact O-CG 3.36Å; H112-M116 PolarHBondContact O-N 2.98Å; M113-M116 HydrophobicContact CG-CE 4.22Å
117R68.1Low64.6Low157 Ų15799.9 Ų99.959%0.59257%0.568SS**THydrogen-bonded Turntrans-89.32.1177.8-69.6175.9177.4-86-6.7113.8M113 K114 S115 S131M113-R117 VanDerWaalsContact O-CB 3.23Å; M113-R117 WeakPolarHBondContact O-CB 3.26Å; M113-R117 WeakPolarHBondContact O-CG 3.41Å; M113-R117 PolarHBondContact O-N 2.89Å; K114-R117 CarbonylContact O-C 3.59Å; K114-R117 PolarHBondContact O-N 3.45Å; S115-R117 PolarHBondContact O-N 3.23Å; R117-S131 VanDerWaalsContact NH1-CB 3.29Å; R117-S131 PolarHBondContact NH1-OG 2.8Å
118G54.8Low62.4Low48 Ų48100 Ų10050%0.49557%0.57SS.*  trans-124.861.2-157.900000116.9K114 S115K114-G118 WeakPolarHBondContact O-CA 3.4Å; K114-G118 PolarHBondContact O-N 3.18Å; S115-G118 PolarHBondContact O-N 3.18Å; S115-G118 VanDerWaalsContact O-N 3.09Å
119T47.6Very low60.2Low153 Ų153103.7 Ų103.794%0.93959%0.585SS**SBendtrans-148.529152.8-37.80000112.5
120G51.1Low57.9Low48 Ų48104.8 Ų104.850%0.49559%0.591SS.*SBendtrans-178.7135.417300000114.2
121N45.9Very low56Low100 Ų100105.3 Ų105.354%0.53560%0.597SS.*  trans90.173.2172-56.180.8000117.4S123 K129N121-S123 VanDerWaalsContact C-N 3.29Å; N121-K129 PolarHBondContact OD1-NZ 2.91Å
122K41Very low54.4Low219 Ų219110.5 Ų110.595%0.95261%0.611SS**  trans-94.959.8137.3-66.7-167.8-179.3-167.70109.2
123S34.9Very low53.1Low88 Ų88110.7 Ų110.762%0.61561%0.613SS**  trans-118.3111.5174.3-570000107.5N121 D125N121-S123 VanDerWaalsContact C-N 3.29Å; S123-D125 VanDerWaalsContact C-N 3.34Å; S123-D125 PolarHBondContact O-N 3.38Å
124T41.3Very low52.1Low142 Ų142110.2 Ų110.287%0.87162%0.615SS**  trans-62.591.3165.147.10000108.8
125D35.8Very low51.1Low152 Ų152106.4 Ų106.481%0.81360%0.6SS**SBendtrans-168.4148.1142.7-135.1-15.9000108.6S123 A127S123-D125 VanDerWaalsContact C-N 3.34Å; S123-D125 PolarHBondContact O-N 3.38Å; D125-A127 PolarHBondContact O-N 2.79Å
126G48.6Very low50.4Low68 Ų68108 Ų10870%0.70160%0.597SS**  trans-51.680-164.500000117Y128G126-Y128 PolarHBondContact O-N 3.31Å
127A38.7Very low50.3Low69 Ų69106.6 Ų106.657%0.5759%0.59SS**  trans-86.3110.1-176.200000111.8D125 K129D125-A127 PolarHBondContact O-N 2.79Å; A127-K129 PolarHBondContact O-N 2.78Å
128Y46.3Very low50.2Low164 Ų16499.8 Ų99.864%0.64357%0.565SS**  trans-59.150.6166-75-84.6000114.2G126 P130 A376G126-Y128 PolarHBondContact O-N 3.31Å; Y128-P130 WeakPolarHBondContact O-CD 3.12Å; Y128-A376 HydrophobicContact CD1-CB 3.19Å; Y128-A376 HydrophobicContact CE1-CB 3.39Å; Y128-A376 HydrophobicContact CG-CB 3.88Å
129K43.6Very low50.7Low120 Ų12099.1 Ų99.152%0.52255%0.548SS..  trans-90.2106.4179.5-111.4-177169.9-178.80110.3N121 A127 S131N121-K129 PolarHBondContact OD1-NZ 2.91Å; A127-K129 PolarHBondContact O-N 2.78Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 3.4Å
130P44.4Very low51.6Low28 Ų2896.1 Ų96.118%0.18252%0.523CS..  trans-72.892.3165.233.3-32000106.7Y128 F132 K377Y128-P130 WeakPolarHBondContact O-CD 3.12Å; P130-F132 PolarHBondContact O-N 3.48Å; P130-K377 HydrophobicContact CG-CG 4.3Å
131S50Low52.4Low75 Ų7598 Ų9852%0.52452%0.522SS..THydrogen-bonded Turntrans-71.226.6-17546.30000114.7R117 K129R117-S131 VanDerWaalsContact NH1-CB 3.29Å; R117-S131 PolarHBondContact NH1-OG 2.8Å; K129-S131 VanDerWaalsContact C-N 3.27Å; K129-S131 PolarHBondContact O-N 3.4Å
132F54.1Low53.4Low186 Ų18695.3 Ų95.382%0.81651%0.507SS*.THydrogen-bonded Turntrans-114.9-27.9-179.7-172.9-105.1000113.5P130P130-F132 PolarHBondContact O-N 3.48Å
133L55.7Low54.5Low53 Ų5385.9 Ų85.928%0.27747%0.467SS..SBendtrans-122.2132.2176.6-64.7172.5000108.1E137 L138 L141L133-E137 HydrophobicContact CB-CB 4.3Å; L133-E137 HydrophobicContact CD2-CB 4.23Å; L133-L138 HydrophobicContact CD1-CD1 4.4Å; L133-L141 HydrophobicContact CD1-CD2 3.84Å
134T64.1Low56.1Low80 Ų8087.6 Ų87.649%0.49147%0.465SS..  trans-61.6156165.662.90000109.3Q136 E137 L138T134-Q136 PolarHBondContact O-N 3.16Å; T134-E137 WeakPolarHBondContact CB-OE2 3.28Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E137 PolarHBondContact N-OE2 3.46Å; T134-E137 PolarHBondContact O-N 3.02Å; T134-E137 VanDerWaalsContact O-N 3.09Å; T134-E137 WeakPolarHBondContact OG1-CB 3.39Å; T134-E137 WeakPolarHBondContact OG1-CG 3.41Å; T134-E137 PolarHBondContact OG1-N 3.2Å; T134-E137 PolarHBondContact OG1-OE2 3.37Å; T134-L138 PolarHBondContact O-N 2.88Å
135E61.3Low56.9Low69 Ų6984.5 Ų84.532%0.32245%0.454SS..Hα-helixtrans-58.9-34.5179179.1154.2-138.300113L138 K139 S384E135-L138 PolarHBondContact O-N 2.97Å; E135-K139 WeakPolarHBondContact O-CB 3.41Å; E135-K139 PolarHBondContact O-N 3.35Å; E135-S384 WeakPolarHBondContact OE1-CB 3.25Å; E135-S384 PolarHBondContact OE1-OG 3.44Å; E135-S384 WeakPolarHBondContact OE2-CB 3.46Å; E135-S384 PolarHBondContact OE2-OG 3.48Å
136Q61.3Low58.1Low122 Ų12277.9 Ų77.957%0.5742%0.42SS*.Hα-helixtrans-67.8-39.3175.7-167.867.40.200112.1T134 H140T134-Q136 PolarHBondContact O-N 3.16Å; Q136-H140 WeakPolarHBondContact O-CB 2.98Å; Q136-H140 PolarHBondContact O-N 3.27Å
137E67.6Low58.9Low98 Ų9877.9 Ų77.946%0.45840%0.404SS..Hα-helixtrans-69.2-38.6174.4-72.2164.7143.100111.6L133 T134 H140 L141L133-E137 HydrophobicContact CB-CB 4.3Å; L133-E137 HydrophobicContact CD2-CB 4.23Å; T134-E137 WeakPolarHBondContact CB-OE2 3.28Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.47Å; T134-E137 PolarHBondContact N-OE2 3.46Å; T134-E137 PolarHBondContact O-N 3.02Å; T134-E137 VanDerWaalsContact O-N 3.09Å; T134-E137 WeakPolarHBondContact OG1-CB 3.39Å; T134-E137 WeakPolarHBondContact OG1-CG 3.41Å; T134-E137 PolarHBondContact OG1-N 3.2Å; T134-E137 PolarHBondContact OG1-OE2 3.37Å; E137-H140 PolarHBondContact O-N 3.38Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 PolarHBondContact O-N 3.39Å
138L65.6Low60.9Low14 Ų1474.7 Ų74.77%0.07338%0.378CS..Hα-helixtrans-66.4-44.1176.5-177.863.3000111L133 T134 E135 L141 I142 K377L133-L138 HydrophobicContact CD1-CD1 4.4Å; T134-L138 PolarHBondContact O-N 2.88Å; E135-L138 PolarHBondContact O-N 2.97Å; L138-L141 PolarHBondContact O-N 2.81Å; L138-I142 HydrophobicContact CD1-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG1 4.1Å; L138-I142 HydrophobicContact CG-CD1 3.78Å; L138-I142 HydrophobicContact CG-CG1 4.44Å; L138-I142 WeakPolarHBondContact O-CB 3.26Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 3.13Å; L138-K377 HydrophobicContact CD1-CD 4.38Å; L138-K377 HydrophobicContact CD2-CB 4.49Å; L138-K377 HydrophobicContact CD2-CD 4.32Å; L138-K377 HydrophobicContact CD2-CG 4.4Å
139K65.9Low62.7Low34 Ų3466.9 Ų66.915%0.14835%0.347CS..Hα-helixtrans-56.4-52172.2178.8-174.4170.9-163.80109.8E135 L141 I142 L143 S164 D165E135-K139 WeakPolarHBondContact O-CB 3.41Å; E135-K139 PolarHBondContact O-N 3.35Å; K139-L141 PolarHBondContact O-N 3.24Å; K139-I142 PolarHBondContact O-N 2.99Å; K139-L143 HydrophobicContact CD-CD1 4.31Å; K139-L143 HydrophobicContact CG-CD1 3.4Å; K139-L143 VanDerWaalsContact CG-CD1 3.4Å; K139-L143 HydrophobicContact CG-CG 4.47Å; K139-L143 VanDerWaalsContact O-CB 3.28Å; K139-L143 WeakPolarHBondContact O-CB 3.02Å; K139-L143 WeakPolarHBondContact O-CD1 3.01Å; K139-L143 WeakPolarHBondContact O-CG 3.17Å; K139-L143 PolarHBondContact O-N 2.91Å; K139-S164 WeakPolarHBondContact CE-OG 3.28Å; K139-D165 WeakPolarHBondContact CE-OD1 3.22Å; K139-D165 IonicContact NZ-OD1 3.99Å; K139-D165 PolarHBondContact NZ-OD1 2.83Å; K139-D165 IonicContact NZ-OD2 3.47Å; K139-D165 PolarHBondContact NZ-OD2 3.17Å
140H66.7Low64.7Low89 Ų8961.8 Ų61.841%0.41233%0.326SS..Hα-helixtrans-61.7-46179.7-162.163.9000112.3Q136 E137 L143 E144Q136-H140 WeakPolarHBondContact O-CB 2.98Å; Q136-H140 PolarHBondContact O-N 3.27Å; E137-H140 PolarHBondContact O-N 3.38Å; H140-L143 PolarHBondContact O-N 3.3Å; H140-E144 IonicContact CD2-OE2 3.49Å; H140-E144 IonicContact NE2-OE2 3.72Å; H140-E144 WeakPolarHBondContact O-CB 3.39Å; H140-E144 PolarHBondContact O-N 3.42Å
141L68.5Low66.8Low87 Ų8760.5 Ų60.546%0.45532%0.317SS..Hα-helixtrans-64-43.6-178.8-179.565.4000112.1L133 E137 L138 K139 A145L133-L141 HydrophobicContact CD1-CD2 3.84Å; E137-L141 WeakPolarHBondContact O-CB 3.37Å; E137-L141 PolarHBondContact O-N 3.39Å; L138-L141 PolarHBondContact O-N 2.81Å; K139-L141 PolarHBondContact O-N 3.24Å; L141-A145 WeakPolarHBondContact O-CB 3.21Å; L141-A145 PolarHBondContact O-N 3.25Å
142I66.9Low68.6Low45 Ų4557.2 Ų57.223%0.23129%0.294CS..Hα-helixtrans-65-44.5176-67.9169.5000109.3L138 K139 E144 A146 I314 L381L138-I142 HydrophobicContact CD1-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG1 4.1Å; L138-I142 HydrophobicContact CG-CD1 3.78Å; L138-I142 HydrophobicContact CG-CG1 4.44Å; L138-I142 WeakPolarHBondContact O-CB 3.26Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.49Å; L138-I142 PolarHBondContact O-N 3.13Å; K139-I142 PolarHBondContact O-N 2.99Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.49Å; I142-A146 HydrophobicContact CG2-CB 4.48Å; I142-A146 WeakPolarHBondContact O-CA 3.19Å; I142-A146 WeakPolarHBondContact O-CB 3.34Å; I142-A146 PolarHBondContact O-N 2.64Å; I142-I314 HydrophobicContact CG2-CD1 4.4Å; I142-L381 HydrophobicContact CD1-CD1 4.18Å
143L64.3Low70.2Confident21 Ų2148.3 Ų48.311%0.1126%0.255CS..Hα-helixtrans-70.6-31.7-176.9-62.9165.4000112.1K139 H140 D147 G148 S166K139-L143 HydrophobicContact CD-CD1 4.31Å; K139-L143 HydrophobicContact CG-CD1 3.4Å; K139-L143 VanDerWaalsContact CG-CD1 3.4Å; K139-L143 HydrophobicContact CG-CG 4.47Å; K139-L143 VanDerWaalsContact O-CB 3.28Å; K139-L143 WeakPolarHBondContact O-CB 3.02Å; K139-L143 WeakPolarHBondContact O-CD1 3.01Å; K139-L143 WeakPolarHBondContact O-CG 3.17Å; K139-L143 PolarHBondContact O-N 2.91Å; H140-L143 PolarHBondContact O-N 3.3Å; L143-D147 WeakPolarHBondContact O-CA 3.35Å; L143-D147 PolarHBondContact O-N 2.95Å; L143-D147 VanDerWaalsContact O-N 3.15Å; L143-G148 WeakPolarHBondContact CD2-O 3.31Å; L143-S166 VanDerWaalsContact CD1-OG 3.23Å; L143-S166 WeakPolarHBondContact CD1-OG 3.42Å
144E66.6Low71.7Confident124 Ų12446 Ų4658%0.57924%0.243SC*.Hα-helixtrans-76.6-44.2175.1-173.4175.9-165.100112.3H140 I142H140-E144 IonicContact CD2-OE2 3.49Å; H140-E144 IonicContact NE2-OE2 3.72Å; H140-E144 WeakPolarHBondContact O-CB 3.39Å; H140-E144 PolarHBondContact O-N 3.42Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.49Å
145A59.5Low72.6Confident77 Ų7742.7 Ų42.764%0.63622%0.224SC*.Hα-helixtrans-76.3-26.2178.800000112.8L141L141-A145 WeakPolarHBondContact O-CB 3.21Å; L141-A145 PolarHBondContact O-N 3.25Å
146A60.1Low73.5Confident13 Ų1345.7 Ų45.711%0.10724%0.238CC..Hα-helixtrans-98.4-11.6-17600000114.7I142 G148 R316I142-A146 HydrophobicContact CG2-CB 4.48Å; I142-A146 WeakPolarHBondContact O-CA 3.19Å; I142-A146 WeakPolarHBondContact O-CB 3.34Å; I142-A146 PolarHBondContact O-N 2.64Å; A146-G148 PolarHBondContact O-N 3.31Å; A146-R316 VanDerWaalsContact CA-NH2 3.32Å; A146-R316 HydrophobicContact CB-CG 4.37Å; A146-R316 PolarHBondContact O-NE 3.18Å; A146-R316 PolarHBondContact O-NH2 2.95Å
147D66.8Low74.6Confident68 Ų6842.7 Ų42.736%0.36423%0.228SC..THydrogen-bonded Turntrans44.745.6-171.2-76.1-28.4000111.9L143 R262 L317L143-D147 WeakPolarHBondContact O-CA 3.35Å; L143-D147 PolarHBondContact O-N 2.95Å; L143-D147 VanDerWaalsContact O-N 3.15Å; D147-R262 IonicContact OD1-CZ 3.55Å; D147-R262 IonicContact OD1-NH1 2.93Å; D147-R262 PolarHBondContact OD1-NH1 2.95Å; D147-R262 IonicContact OD2-NH1 2.86Å; D147-R262 PolarHBondContact OD2-NH1 3.16Å; D147-L317 PolarHBondContact O-N 2.61Å
148G80.4Confident75.3Confident1 Ų138 Ų381%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-133179-172.500000113.5L143 A146 G315L143-G148 WeakPolarHBondContact CD2-O 3.31Å; A146-G148 PolarHBondContact O-N 3.31Å; G148-G315 CarbonylContact C-O 3.49Å; G148-G315 WeakPolarHBondContact CA-O 3.44Å
149F84.3Confident76.3Confident0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-134.7144.9174.467.1-81.6000110.5F151 V163 V167 V170 L171 W178 M241 V280 I314 G315F149-F151 HydrophobicContact CD2-CB 4.4Å; F149-F151 AromaticContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CE2-CB 4.29Å; F149-F151 AromaticContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CD1 3.42Å; F149-F151 VanDerWaalsContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CE1 4.09Å; F149-F151 HydrophobicContact CE2-CG 4.16Å; F149-F151 HydrophobicContact CZ-CD1 4.12Å; F149-F151 HydrophobicContact CZ-CE1 4.35Å; F149-V163 HydrophobicContact CD2-CG2 4.26Å; F149-V167 HydrophobicContact CB-CB 4.4Å; F149-V167 HydrophobicContact CD2-CB 4.21Å; F149-V167 HydrophobicContact CD2-CG2 4.13Å; F149-V167 HydrophobicContact CE2-CG2 4.28Å; F149-V167 HydrophobicContact CG-CB 4.33Å; F149-V167 HydrophobicContact CG-CG2 4.41Å; F149-V170 HydrophobicContact CD1-CB 4.08Å; F149-V170 HydrophobicContact CD1-CG1 3.83Å; F149-V170 HydrophobicContact CE1-CG1 4.27Å; F149-L171 HydrophobicContact CD1-CD1 4.48Å; F149-L171 HydrophobicContact CE1-CD1 3.57Å; F149-L171 HydrophobicContact CE1-CG 4Å; F149-L171 HydrophobicContact CE2-CD1 4.45Å; F149-L171 HydrophobicContact CZ-CD1 3.55Å; F149-L171 HydrophobicContact CZ-CG 4.46Å; F149-W178 AromaticContact CE2-CH2 3.99Å; F149-W178 HydrophobicContact CE2-CH2 3.99Å; F149-W178 AromaticContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CZ-CH2 4Å; F149-W178 HydrophobicContact CZ-CZ3 4.44Å; F149-M241 HydrophobicContact CE1-SD 4.29Å; F149-M241 HydrophobicContact CZ-CE 4.34Å; F149-M241 HydrophobicContact CZ-SD 3.7Å; F149-V280 HydrophobicContact CE1-CG1 4.19Å; F149-I314 CarbonylContact O-C 3.41Å; F149-I314 WeakPolarHBondContact O-CA 3.49Å; F149-G315 WeakPolarHBondContact CD1-O 3.34Å; F149-G315 PolarHBondContact N-O 3.33Å; F149-G315 PolarHBondContact O-N 3.05Å
150L85.3Confident77.4Confident14 Ų1442.4 Ų42.47%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-89.3137176.3178.470.3000109.8Y162 S164 V312 I314 W378 L381L150-Y162 HydrophobicContact CD2-CE1 4.15Å; L150-Y162 HydrophobicContact CG-CE1 4.48Å; L150-S164 PolarHBondContact O-N 3.48Å; L150-V312 HydrophobicContact CD1-CG1 4.29Å; L150-I314 HydrophobicContact CD1-CG1 3.82Å; L150-W378 HydrophobicContact CD1-CH2 3.2Å; L150-W378 HydrophobicContact CD1-CZ2 4.05Å; L150-W378 HydrophobicContact CD1-CZ3 3.54Å; L150-L381 HydrophobicContact CD2-CD2 4.37Å
151F87.8Confident78.3Confident0 Ų040.7 Ų40.70%022%0.215CC..EExtended strand (participates in β ladder)trans-144.5152.4173.566.8-92.7000112.2F149 V153 Y162 V163 L183 M241 C282 A313F149-F151 HydrophobicContact CD2-CB 4.4Å; F149-F151 AromaticContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CD2-CD1 3.9Å; F149-F151 HydrophobicContact CE2-CB 4.29Å; F149-F151 AromaticContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CD1 3.42Å; F149-F151 VanDerWaalsContact CE2-CD1 3.42Å; F149-F151 HydrophobicContact CE2-CE1 4.09Å; F149-F151 HydrophobicContact CE2-CG 4.16Å; F149-F151 HydrophobicContact CZ-CD1 4.12Å; F149-F151 HydrophobicContact CZ-CE1 4.35Å; F151-V153 HydrophobicContact CD2-CG1 3.9Å; F151-V153 HydrophobicContact CE2-CG1 4.24Å; F151-Y162 CarbonylContact C-O 3.49Å; F151-Y162 VanDerWaalsContact CA-O 3.26Å; F151-Y162 WeakPolarHBondContact CA-O 2.97Å; F151-V163 HydrophobicContact CB-CG2 4.43Å; F151-L183 HydrophobicContact CE2-CD1 4.4Å; F151-L183 HydrophobicContact CE2-CD2 4.09Å; F151-M241 HydrophobicContact CE1-CE 4.41Å; F151-M241 HydrophobicContact CZ-CE 4.35Å; F151-C282 HydrophobicContact CZ-CB 4.21Å; F151-A313 HydrophobicContact CE1-CB 4.03Å; F151-A313 HydrophobicContact CE2-CB 3.9Å; F151-A313 HydrophobicContact CZ-CB 3.63Å; F151-A313 PolarHBondContact N-O 2.85Å; F151-A313 PolarHBondContact O-N 3.24Å; F151-A313 VanDerWaalsContact O-O 3.11Å
152V87.2Confident79.1Confident6 Ų638.5 Ų38.54%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-122.7127.4175.3-176.50000107.8I161 Y162 C310 L311 V312V152-I161 HydrophobicContact CB-CB 4.39Å; V152-I161 HydrophobicContact CG1-CB 4.17Å; V152-I161 HydrophobicContact CG1-CD1 4.28Å; V152-I161 PolarHBondContact O-N 2.79Å; V152-Y162 HydrophobicContact CG2-CD1 4.13Å; V152-Y162 HydrophobicContact CG2-CG 4.37Å; V152-Y162 PolarHBondContact N-O 3.39Å; V152-Y162 PolarHBondContact O-N 2.88Å; V152-C310 HydrophobicContact CG1-CB 3.96Å; V152-L311 WeakPolarHBondContact CA-O 2.75Å; V152-V312 HydrophobicContact CG1-CG2 4.35Å; V152-V312 HydrophobicContact CG2-CG1 3.67Å; V152-V312 HydrophobicContact CG2-CG2 4.49Å
153V88.8Confident80Confident0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-126.3145.7174.9-59.90000111.5F151 A155 R159 V160 L183 L199 C310 L311F151-V153 HydrophobicContact CD2-CG1 3.9Å; F151-V153 HydrophobicContact CE2-CG1 4.24Å; V153-A155 PolarHBondContact O-N 2.77Å; V153-R159 CarbonylContact C-O 3.6Å; V153-R159 VanDerWaalsContact CA-O 3.24Å; V153-R159 WeakPolarHBondContact CA-O 3.15Å; V153-V160 HydrophobicContact CG1-CB 4.41Å; V153-V160 HydrophobicContact CG1-CG2 3.92Å; V153-L183 HydrophobicContact CG1-CB 4.11Å; V153-L183 HydrophobicContact CG1-CD1 4.49Å; V153-L183 HydrophobicContact CG1-CD2 4.08Å; V153-L183 HydrophobicContact CG1-CG 4.46Å; V153-L183 HydrophobicContact CG2-CD2 4.14Å; V153-L199 HydrophobicContact CG2-CD2 3.8Å; V153-C310 CarbonylContact O-C 3.5Å; V153-C310 WeakPolarHBondContact O-CA 3.47Å; V153-C310 VanDerWaalsContact O-CB 3.25Å; V153-C310 WeakPolarHBondContact O-CB 3.44Å; V153-L311 HydrophobicContact CG2-CB 3.79Å; V153-L311 HydrophobicContact CG2-CD2 4.26Å; V153-L311 HydrophobicContact CG2-CG 4.44Å; V153-L311 PolarHBondContact N-O 2.99Å; V153-L311 PolarHBondContact O-N 3.48Å
154A86.8Confident80.9Confident3 Ų335.4 Ų35.43%0.02519%0.185CC..EExtended strand (participates in β ladder)trans-66.9128.316900000109.5E156 T157 G158 R159 I161A154-E156 VanDerWaalsContact C-N 3.29Å; A154-E156 PolarHBondContact O-N 3.25Å; A154-T157 VanDerWaalsContact CB-OG1 3.31Å; A154-T157 WeakPolarHBondContact CB-OG1 3.42Å; A154-G158 WeakPolarHBondContact O-CA 3.47Å; A154-G158 PolarHBondContact O-N 2.84Å; A154-R159 HydrophobicContact CB-CB 4.43Å; A154-R159 PolarHBondContact N-O 2.93Å; A154-I161 HydrophobicContact CB-CD1 4.16Å
155A83.1Confident81.5Confident11 Ų1132.7 Ų32.79%0.09117%0.174CC..THydrogen-bonded Turntrans-69.9-28-175.800000112.9V153 Y309V153-A155 PolarHBondContact O-N 2.77Å; A155-Y309 WeakPolarHBondContact CB-O 3.29Å; A155-Y309 PolarHBondContact N-O 3.29Å
156E81.2Confident82.4Confident133 Ų13330 Ų3062%0.62115%0.151SC*.THydrogen-bonded Turntrans-82.3-46.5-177.1-172.4165.7161.100112.4A154 G306A154-E156 VanDerWaalsContact C-N 3.29Å; A154-E156 PolarHBondContact O-N 3.25Å; E156-G306 VanDerWaalsContact CB-O 3.28Å; E156-G306 WeakPolarHBondContact CB-O 3.42Å; E156-G306 VanDerWaalsContact CD-C 3.41Å; E156-G306 VanDerWaalsContact CD-CA 3.41Å; E156-G306 WeakPolarHBondContact CG-O 3.26Å; E156-G306 WeakPolarHBondContact OE1-CA 3.43Å; E156-G306 WeakPolarHBondContact OE2-CA 3.35Å
157T82.6Confident83.4Confident59 Ų5929.3 Ų29.336%0.36215%0.146SC..THydrogen-bonded Turntrans-97.6-14.5-176.458.10000113.3A154 R159A154-T157 VanDerWaalsContact CB-OG1 3.31Å; A154-T157 WeakPolarHBondContact CB-OG1 3.42Å; T157-R159 PolarHBondContact O-N 2.83Å; T157-R159 WeakPolarHBondContact OG1-CB 3.15Å; T157-R159 PolarHBondContact OG1-N 2.85Å
158G83.9Confident84.1Confident0 Ų028.1 Ų28.10%014%0.141CC..  trans67.29.2-170.300000113.6A154 T182 L183A154-G158 WeakPolarHBondContact O-CA 3.47Å; A154-G158 PolarHBondContact O-N 2.84Å; G158-T182 WeakPolarHBondContact O-CA 3.43Å; G158-L183 PolarHBondContact O-N 3.02Å
159R86.8Confident83.8Confident134 Ų13430 Ų3051%0.50615%0.153SC..BIsolated β-bridgetrans-69.2133.2-177.1-165.5178.7-153.9-175.64.8111.1V153 A154 T157 I161V153-R159 CarbonylContact C-O 3.6Å; V153-R159 VanDerWaalsContact CA-O 3.24Å; V153-R159 WeakPolarHBondContact CA-O 3.15Å; A154-R159 HydrophobicContact CB-CB 4.43Å; A154-R159 PolarHBondContact N-O 2.93Å; T157-R159 PolarHBondContact O-N 2.83Å; T157-R159 WeakPolarHBondContact OG1-CB 3.15Å; T157-R159 PolarHBondContact OG1-N 2.85Å; R159-I161 PolarHBondContact O-N 3.43Å
160V88Confident83.5Confident5 Ų530.9 Ų30.93%0.0316%0.158CC..EExtended strand (participates in β ladder)trans-75.5115.9176.4-176.70000109.8V153 V163 W178 S181V153-V160 HydrophobicContact CG1-CB 4.41Å; V153-V160 HydrophobicContact CG1-CG2 3.92Å; V160-V163 HydrophobicContact CG1-CB 4.38Å; V160-W178 VanDerWaalsContact CB-O 3.3Å; V160-W178 WeakPolarHBondContact CB-O 3.25Å; V160-W178 HydrophobicContact CG2-CE3 4.34Å; V160-S181 WeakPolarHBondContact CG2-O 2.92Å; V160-S181 PolarHBondContact N-O 2.99Å
161I85.7Confident83.1Confident54 Ų5430.2 Ų30.228%0.27716%0.155SC..EExtended strand (participates in β ladder)trans-89.4-38.6178.2-58.8170.3000109.9V152 A154 R159 F179 W289 C310V152-I161 HydrophobicContact CB-CB 4.39Å; V152-I161 HydrophobicContact CG1-CB 4.17Å; V152-I161 HydrophobicContact CG1-CD1 4.28Å; V152-I161 PolarHBondContact O-N 2.79Å; A154-I161 HydrophobicContact CB-CD1 4.16Å; R159-I161 PolarHBondContact O-N 3.43Å; I161-F179 WeakPolarHBondContact O-CE1 3.17Å; I161-W289 HydrophobicContact CD1-CD2 4.39Å; I161-W289 HydrophobicContact CD1-CG 4.39Å; I161-W289 HydrophobicContact CG2-CH2 4.39Å; I161-W289 HydrophobicContact CG2-CZ2 4.02Å; I161-C310 HydrophobicContact CD1-CB 4.3Å
162Y85.2Confident82.7Confident40 Ų4030.7 Ų30.716%0.15716%0.157CC..EExtended strand (participates in β ladder)trans-147.7144.7-178.2177-93.2000111.5L150 F151 V152 F179 C385L150-Y162 HydrophobicContact CD2-CE1 4.15Å; L150-Y162 HydrophobicContact CG-CE1 4.48Å; F151-Y162 CarbonylContact C-O 3.49Å; F151-Y162 VanDerWaalsContact CA-O 3.26Å; F151-Y162 WeakPolarHBondContact CA-O 2.97Å; V152-Y162 HydrophobicContact CG2-CD1 4.13Å; V152-Y162 HydrophobicContact CG2-CG 4.37Å; V152-Y162 PolarHBondContact N-O 3.39Å; V152-Y162 PolarHBondContact O-N 2.88Å; Y162-F179 HydrophobicContact CD2-CZ 4.5Å; Y162-C385 HydrophobicContact CD2-CB 4.44Å; Y162-C385 VanDerWaalsContact CE1-SG 3.53Å; Y162-C385 HydrophobicContact CE2-CB 4.41Å; Y162-C385 VanDerWaalsContact CZ-SG 3.57Å
163V85.3Confident82.4Confident0 Ų030.8 Ų30.80%016%0.157CC..EExtended strand (participates in β ladder)trans-143.6139.8172.265.90000110.2F149 F151 V160 V167 Q175 W178 F179F149-V163 HydrophobicContact CD2-CG2 4.26Å; F151-V163 HydrophobicContact CB-CG2 4.43Å; V160-V163 HydrophobicContact CG1-CB 4.38Å; V163-V167 HydrophobicContact CG2-CB 3.77Å; V163-V167 HydrophobicContact CG2-CG1 3.88Å; V163-V167 HydrophobicContact CG2-CG2 4.13Å; V163-Q175 HydrophobicContact CG1-CB 4.13Å; V163-Q175 HydrophobicContact CG1-CG 4.16Å; V163-Q175 PolarHBondContact O-NE2 3.47Å; V163-W178 HydrophobicContact CB-CB 4.37Å; V163-W178 HydrophobicContact CG1-CB 3.82Å; V163-W178 HydrophobicContact CG2-CB 4.47Å; V163-W178 HydrophobicContact CG2-CD2 4.42Å; V163-W178 HydrophobicContact CG2-CE3 4.23Å; V163-F179 HydrophobicContact CG1-CD2 4.05Å; V163-F179 HydrophobicContact CG1-CE2 3.74Å; V163-F179 HydrophobicContact CG1-CZ 4.06Å
164S83.3Confident82.1Confident1 Ų132.8 Ų32.81%0.00717%0.17CC..  trans-73.5150.5175-165.70000111.9K139 L150 S166 V167K139-S164 WeakPolarHBondContact CE-OG 3.28Å; L150-S164 PolarHBondContact O-N 3.48Å; S164-S166 PolarHBondContact O-N 3.25Å; S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 VanDerWaalsContact O-CG1 3.31Å; S164-V167 WeakPolarHBondContact O-CG1 3.18Å; S164-V167 PolarHBondContact O-N 3.15Å
165D80.8Confident82Confident67 Ų6735.6 Ų35.636%0.35818%0.183SC..THydrogen-bonded Turntrans-52.4-24.7171.252.2-0.4000114.1K139 V167 T168 P169 Q175K139-D165 WeakPolarHBondContact CE-OD1 3.22Å; K139-D165 IonicContact NZ-OD1 3.99Å; K139-D165 PolarHBondContact NZ-OD1 2.83Å; K139-D165 IonicContact NZ-OD2 3.47Å; K139-D165 PolarHBondContact NZ-OD2 3.17Å; D165-V167 PolarHBondContact O-N 3.47Å; D165-T168 PolarHBondContact O-N 2.97Å; D165-P169 VanDerWaalsContact O-CD 3.32Å; D165-P169 WeakPolarHBondContact O-CD 3.39Å; D165-Q175 VanDerWaalsContact CA-CD 3.46Å; D165-Q175 VanDerWaalsContact CA-NE2 3.29Å
166S77.2Confident82.1Confident20 Ų2039.5 Ų39.514%0.1421%0.209CC..THydrogen-bonded Turntrans-71.2-5.2177.5-63.20000113.9L143 S164 T168 P169 V170L143-S166 VanDerWaalsContact CD1-OG 3.23Å; L143-S166 WeakPolarHBondContact CD1-OG 3.42Å; S164-S166 PolarHBondContact O-N 3.25Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å; S166-P169 VanDerWaalsContact C-CD 3.46Å; S166-P169 VanDerWaalsContact O-CD 3.25Å; S166-P169 WeakPolarHBondContact O-CD 3.12Å; S166-P169 VanDerWaalsContact O-CG 3.29Å; S166-P169 WeakPolarHBondContact O-CG 3.48Å; S166-V170 WeakPolarHBondContact O-CB 3.23Å; S166-V170 WeakPolarHBondContact O-CG2 3.38Å; S166-V170 PolarHBondContact O-N 3.03Å; S166-V170 VanDerWaalsContact O-N 3.15Å
167V81.2Confident82.3Confident0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-63.1-35.1168.971.50000112F149 V163 S164 D165 V170 L171 N172 Q175 W178F149-V167 HydrophobicContact CB-CB 4.4Å; F149-V167 HydrophobicContact CD2-CB 4.21Å; F149-V167 HydrophobicContact CD2-CG2 4.13Å; F149-V167 HydrophobicContact CE2-CG2 4.28Å; F149-V167 HydrophobicContact CG-CB 4.33Å; F149-V167 HydrophobicContact CG-CG2 4.41Å; V163-V167 HydrophobicContact CG2-CB 3.77Å; V163-V167 HydrophobicContact CG2-CG1 3.88Å; V163-V167 HydrophobicContact CG2-CG2 4.13Å; S164-V167 WeakPolarHBondContact O-CB 3.31Å; S164-V167 VanDerWaalsContact O-CG1 3.31Å; S164-V167 WeakPolarHBondContact O-CG1 3.18Å; S164-V167 PolarHBondContact O-N 3.15Å; D165-V167 PolarHBondContact O-N 3.47Å; V167-V170 PolarHBondContact O-N 3.06Å; V167-L171 HydrophobicContact CG2-CB 4.37Å; V167-L171 HydrophobicContact CG2-CD1 4.31Å; V167-L171 PolarHBondContact O-N 2.54Å; V167-N172 PolarHBondContact O-N 3.06Å; V167-Q175 HydrophobicContact CG1-CG 3.76Å; V167-W178 HydrophobicContact CG2-CD2 4.08Å; V167-W178 HydrophobicContact CG2-CG 4.36Å; V167-W178 HydrophobicContact CG2-CZ2 4.12Å
168T81.3Confident82.3Confident43 Ų4333.8 Ų33.826%0.26418%0.179SC..Hα-helixtrans-64-47.9178.4-56.10000111.7D165 S166 V170 N172 Q173D165-T168 PolarHBondContact O-N 2.97Å; S166-T168 VanDerWaalsContact C-N 3.27Å; S166-T168 PolarHBondContact O-N 2.87Å; T168-V170 VanDerWaalsContact C-N 3.34Å; T168-V170 PolarHBondContact O-N 2.94Å; T168-N172 WeakPolarHBondContact O-CA 3.28Å; T168-N172 PolarHBondContact O-N 3.07Å; T168-Q173 VanDerWaalsContact CA-O 3.25Å; T168-Q173 WeakPolarHBondContact CA-O 3.42Å; T168-Q173 PolarHBondContact OG1-O 3.19Å
169P75.1Confident82.2Confident41 Ų4137.9 Ų37.927%0.26620%0.197SC..Hα-helixtrans-69.7-26.4174.123.1-32.2000115.1D165 S166 M259D165-P169 VanDerWaalsContact O-CD 3.32Å; D165-P169 WeakPolarHBondContact O-CD 3.39Å; S166-P169 VanDerWaalsContact C-CD 3.46Å; S166-P169 VanDerWaalsContact O-CD 3.25Å; S166-P169 WeakPolarHBondContact O-CD 3.12Å; S166-P169 VanDerWaalsContact O-CG 3.29Å; S166-P169 WeakPolarHBondContact O-CG 3.48Å; P169-M259 HydrophobicContact CB-CE 3.57Å; P169-M259 HydrophobicContact CB-SD 3.56Å; P169-M259 VanDerWaalsContact CB-SD 3.56Å; P169-M259 WeakPolarHBondContact O-CE 3.36Å
170V76.8Confident81.5Confident18 Ų1833.5 Ų33.511%0.10919%0.194CC..Hα-helixtrans-87.2-46.1-175.4178.80000112.9F149 S166 V167 T168 L317F149-V170 HydrophobicContact CD1-CB 4.08Å; F149-V170 HydrophobicContact CD1-CG1 3.83Å; F149-V170 HydrophobicContact CE1-CG1 4.27Å; S166-V170 WeakPolarHBondContact O-CB 3.23Å; S166-V170 WeakPolarHBondContact O-CG2 3.38Å; S166-V170 PolarHBondContact O-N 3.03Å; S166-V170 VanDerWaalsContact O-N 3.15Å; V167-V170 PolarHBondContact O-N 3.06Å; T168-V170 VanDerWaalsContact C-N 3.34Å; T168-V170 PolarHBondContact O-N 2.94Å; V170-L317 HydrophobicContact CG1-CB 4.08Å
171L77.7Confident81.4Confident0 Ų034.5 Ų34.50%020%0.201CC..Hα-helixtrans-115.4-1.3-175.4-65.6179.7000113.7F149 V167 Q173 W178 M241 C243 G244 V280F149-L171 HydrophobicContact CD1-CD1 4.48Å; F149-L171 HydrophobicContact CE1-CD1 3.57Å; F149-L171 HydrophobicContact CE1-CG 4Å; F149-L171 HydrophobicContact CE2-CD1 4.45Å; F149-L171 HydrophobicContact CZ-CD1 3.55Å; F149-L171 HydrophobicContact CZ-CG 4.46Å; V167-L171 HydrophobicContact CG2-CB 4.37Å; V167-L171 HydrophobicContact CG2-CD1 4.31Å; V167-L171 PolarHBondContact O-N 2.54Å; L171-Q173 PolarHBondContact O-N 3.27Å; L171-W178 HydrophobicContact CD1-CH2 3.92Å; L171-W178 HydrophobicContact CD1-CZ2 3.5Å; L171-M241 HydrophobicContact CD1-CB 4.1Å; L171-M241 HydrophobicContact CD1-SD 4.01Å; L171-M241 HydrophobicContact CD2-CB 4.33Å; L171-C243 CarbonylContact O-C 3.57Å; L171-C243 WeakPolarHBondContact O-CA 2.97Å; L171-G244 PolarHBondContact O-N 2.95Å; L171-V280 HydrophobicContact CD2-CG2 4.02Å
172N78.9Confident81.5Confident10 Ų1033.6 Ų33.65%0.05320%0.198CC..  trans56.933.2-178.8-157.547.8000114.4V167 T168 G244 A246 L248 F263V167-N172 PolarHBondContact O-N 3.06Å; T168-N172 WeakPolarHBondContact O-CA 3.28Å; T168-N172 PolarHBondContact O-N 3.07Å; N172-G244 WeakPolarHBondContact CB-O 3.34Å; N172-G244 PolarHBondContact ND2-O 3.45Å; N172-G244 CarbonylContact O-C 3.42Å; N172-G244 VanDerWaalsContact O-C 3.26Å; N172-G244 VanDerWaalsContact O-CA 3.27Å; N172-G244 WeakPolarHBondContact O-CA 3.49Å; N172-A246 PolarHBondContact ND2-N 3.28Å; N172-A246 VanDerWaalsContact ND2-N 3.2Å; N172-A246 PolarHBondContact ND2-O 3.42Å; N172-A246 WeakPolarHBondContact O-CB 3.31Å; N172-A246 PolarHBondContact O-N 3.42Å; N172-A246 PolarHBondContact OD1-O 3.28Å; N172-L248 WeakPolarHBondContact OD1-CD2 3.49Å; N172-F263 HydrophobicContact CB-CE2 3.55Å; N172-F263 HydrophobicContact CB-CZ 3.39Å
173Q81.8Confident81.7Confident7 Ų731.7 Ų31.73%0.03319%0.19CC..  trans-109.5140.2172.8-70.2-7234.700109.9T168 L171 E177 W178 G244T168-Q173 VanDerWaalsContact CA-O 3.25Å; T168-Q173 WeakPolarHBondContact CA-O 3.42Å; T168-Q173 PolarHBondContact OG1-O 3.19Å; L171-Q173 PolarHBondContact O-N 3.27Å; Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.09Å; Q173-E177 PolarHBondContact OE1-OE2 3.27Å; Q173-E177 VanDerWaalsContact OE1-OE2 3.09Å; Q173-W178 VanDerWaalsContact CB-NE1 3.27Å; Q173-G244 VanDerWaalsContact OE1-CA 3.28Å
174P82.4Confident81.9Confident43 Ų4334 Ų3428%0.27920%0.199SC..  trans-70.6145.5171.231.8-32.2000109.4S176 E177P174-S176 PolarHBondContact O-N 3.08Å; P174-S176 VanDerWaalsContact O-N 3.17Å; P174-E177 HydrophobicContact CG-CB 4.02Å; P174-E177 PolarHBondContact O-N 3.26Å; P174-E177 VanDerWaalsContact O-N 3.16Å
175Q84.3Confident82.1Confident61 Ų6139.5 Ų39.529%0.28523%0.225SC..Hα-helixtrans-57.8-31.6177.4-69.2-177.3-64.300112.5V163 D165 V167 E177 W178 F179V163-Q175 HydrophobicContact CG1-CB 4.13Å; V163-Q175 HydrophobicContact CG1-CG 4.16Å; V163-Q175 PolarHBondContact O-NE2 3.47Å; D165-Q175 VanDerWaalsContact CA-CD 3.46Å; D165-Q175 VanDerWaalsContact CA-NE2 3.29Å; V167-Q175 HydrophobicContact CG1-CG 3.76Å; Q175-E177 PolarHBondContact O-N 3.5Å; Q175-W178 PolarHBondContact O-N 3.31Å; Q175-W178 VanDerWaalsContact O-N 3.08Å; Q175-F179 HydrophobicContact CB-CD2 4.14Å; Q175-F179 HydrophobicContact CB-CE2 4.08Å; Q175-F179 WeakPolarHBondContact O-CD2 3.39Å; Q175-F179 PolarHBondContact O-N 2.94Å
176S84.9Confident82.3Confident93 Ų9336.6 Ų36.665%0.6521%0.209SC*.Hα-helixtrans-60.9-29.7-180540000113.7P174P174-S176 PolarHBondContact O-N 3.08Å; P174-S176 VanDerWaalsContact O-N 3.17Å
177E84.4Confident82.9Confident72 Ų7235.8 Ų35.834%0.33620%0.203SC..Hα-helixtrans-80-26.5177-172.9177.8152.700111.8Q173 P174 Q175 S181Q173-E177 PolarHBondContact NE2-OE1 3.48Å; Q173-E177 VanDerWaalsContact NE2-OE1 3.09Å; Q173-E177 PolarHBondContact OE1-OE2 3.27Å; Q173-E177 VanDerWaalsContact OE1-OE2 3.09Å; P174-E177 HydrophobicContact CG-CB 4.02Å; P174-E177 PolarHBondContact O-N 3.26Å; P174-E177 VanDerWaalsContact O-N 3.16Å; Q175-E177 PolarHBondContact O-N 3.5Å; E177-S181 WeakPolarHBondContact O-CB 3.39Å; E177-S181 PolarHBondContact O-OG 3.04Å
178W83.8Confident83.1Confident0 Ų037.6 Ų37.60%021%0.212CC..Hα-helixtrans-79.6-37175.8-82.868.5000112F149 V160 V163 V167 L171 Q173 Q175 G180 S181 L183 Q186 M241F149-W178 AromaticContact CE2-CH2 3.99Å; F149-W178 HydrophobicContact CE2-CH2 3.99Å; F149-W178 AromaticContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CE2-CZ3 4Å; F149-W178 HydrophobicContact CZ-CH2 4Å; F149-W178 HydrophobicContact CZ-CZ3 4.44Å; V160-W178 VanDerWaalsContact CB-O 3.3Å; V160-W178 WeakPolarHBondContact CB-O 3.25Å; V160-W178 HydrophobicContact CG2-CE3 4.34Å; V163-W178 HydrophobicContact CB-CB 4.37Å; V163-W178 HydrophobicContact CG1-CB 3.82Å; V163-W178 HydrophobicContact CG2-CB 4.47Å; V163-W178 HydrophobicContact CG2-CD2 4.42Å; V163-W178 HydrophobicContact CG2-CE3 4.23Å; V167-W178 HydrophobicContact CG2-CD2 4.08Å; V167-W178 HydrophobicContact CG2-CG 4.36Å; V167-W178 HydrophobicContact CG2-CZ2 4.12Å; L171-W178 HydrophobicContact CD1-CH2 3.92Å; L171-W178 HydrophobicContact CD1-CZ2 3.5Å; Q173-W178 VanDerWaalsContact CB-NE1 3.27Å; Q175-W178 PolarHBondContact O-N 3.31Å; Q175-W178 VanDerWaalsContact O-N 3.08Å; W178-G180 PolarHBondContact O-N 2.82Å; W178-S181 PolarHBondContact O-N 2.76Å; W178-L183 HydrophobicContact CZ3-CD1 4.1Å; W178-Q186 HydrophobicContact CD2-CG 4.42Å; W178-Q186 HydrophobicContact CH2-CB 4.05Å; W178-Q186 HydrophobicContact CH2-CG 4.3Å; W178-Q186 HydrophobicContact CZ2-CB 4.12Å; W178-Q186 HydrophobicContact CZ2-CG 4.18Å; W178-Q186 HydrophobicContact CZ3-CG 4.46Å; W178-M241 HydrophobicContact CH2-CE 4.38Å; W178-M241 HydrophobicContact CH2-SD 4.18Å
179F82.4Confident83.3Confident86 Ų8639.6 Ų39.638%0.37723%0.225SC..THydrogen-bonded Turntrans-66.3123.8176.1-82.6-69.2000111I161 Y162 V163 Q175 S181I161-F179 WeakPolarHBondContact O-CE1 3.17Å; Y162-F179 HydrophobicContact CD2-CZ 4.5Å; V163-F179 HydrophobicContact CG1-CD2 4.05Å; V163-F179 HydrophobicContact CG1-CE2 3.74Å; V163-F179 HydrophobicContact CG1-CZ 4.06Å; Q175-F179 HydrophobicContact CB-CD2 4.14Å; Q175-F179 HydrophobicContact CB-CE2 4.08Å; Q175-F179 WeakPolarHBondContact O-CD2 3.39Å; Q175-F179 PolarHBondContact O-N 2.94Å; F179-S181 VanDerWaalsContact C-N 3.29Å; F179-S181 PolarHBondContact O-N 3.01Å
180G71.8Confident83.9Confident43 Ų4342.5 Ų42.544%0.44324%0.239SC..THydrogen-bonded Turntrans89.3-19.4177.800000115W178W178-G180 PolarHBondContact O-N 2.82Å
181S84.5Confident84.4Confident26 Ų2642.3 Ų42.318%0.18224%0.237CC..SBendtrans-76.5162.1173.1-60.90000112.1V160 E177 W178 F179V160-S181 WeakPolarHBondContact CG2-O 2.92Å; V160-S181 PolarHBondContact N-O 2.99Å; E177-S181 WeakPolarHBondContact O-CB 3.39Å; E177-S181 PolarHBondContact O-OG 3.04Å; W178-S181 PolarHBondContact O-N 2.76Å; F179-S181 VanDerWaalsContact C-N 3.29Å; F179-S181 PolarHBondContact O-N 3.01Å
182T89.2Confident84.9Confident34 Ų3444.2 Ų44.221%0.20925%0.249CC..BIsolated β-bridgetrans-91.4147.4172.268.90000111G158 Y184 E185G158-T182 WeakPolarHBondContact O-CA 3.43Å; T182-Y184 PolarHBondContact O-N 3.15Å; T182-E185 PolarHBondContact O-N 3.36Å; T182-E185 VanDerWaalsContact OG1-CD 3.3Å; T182-E185 WeakPolarHBondContact OG1-CG 3.16Å; T182-E185 PolarHBondContact OG1-OE1 3.22Å
183L88.9Confident85.2Confident0 Ų049 Ų490%027%0.27CS..Hα-helixtrans-60.8-29.1176.2-170.562.2000111.6F151 V153 G158 W178 E185 Q186 V187 L195 M241F151-L183 HydrophobicContact CE2-CD1 4.4Å; F151-L183 HydrophobicContact CE2-CD2 4.09Å; V153-L183 HydrophobicContact CG1-CB 4.11Å; V153-L183 HydrophobicContact CG1-CD1 4.49Å; V153-L183 HydrophobicContact CG1-CD2 4.08Å; V153-L183 HydrophobicContact CG1-CG 4.46Å; V153-L183 HydrophobicContact CG2-CD2 4.14Å; G158-L183 PolarHBondContact O-N 3.02Å; W178-L183 HydrophobicContact CZ3-CD1 4.1Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 PolarHBondContact O-N 2.81Å; L183-Q186 PolarHBondContact O-N 2.87Å; L183-Q186 VanDerWaalsContact O-N 3.14Å; L183-V187 PolarHBondContact O-N 2.82Å; L183-L195 HydrophobicContact CB-CD2 4.25Å; L183-L195 HydrophobicContact CD2-CD1 3.81Å; L183-L195 HydrophobicContact CD2-CD2 3.67Å; L183-L195 HydrophobicContact CD2-CG 4.27Å; L183-L195 HydrophobicContact CG-CD2 3.67Å; L183-M241 HydrophobicContact CD1-CE 3.95Å
184Y88.4Confident85.4Confident49 Ų4954.9 Ų54.919%0.19230%0.296CS..Hα-helixtrans-63.1-33178.3-54.7-58.7000113.1T182 Q186 V187 V192 L195 R196 L199T182-Y184 PolarHBondContact O-N 3.15Å; Y184-Q186 VanDerWaalsContact C-N 3.33Å; Y184-V187 WeakPolarHBondContact O-CG2 3.14Å; Y184-V192 HydrophobicContact CD1-CG1 3.83Å; Y184-V192 HydrophobicContact CG-CG1 4.34Å; Y184-L195 HydrophobicContact CD1-CD2 3.83Å; Y184-L195 HydrophobicContact CD1-CG 4.41Å; Y184-L195 HydrophobicContact CE1-CD2 4.02Å; Y184-L195 HydrophobicContact CE1-CG 4.16Å; Y184-R196 HydrophobicContact CE1-CB 4.2Å; Y184-L199 HydrophobicContact CE1-CD1 4.04Å
185E87.4Confident85.6Confident116 Ų11652.9 Ų52.954%0.54228%0.283SS..Hα-helixtrans-75-25.2175.7-70.9158.6-135.900112.8T182 L183T182-E185 PolarHBondContact O-N 3.36Å; T182-E185 VanDerWaalsContact OG1-CD 3.3Å; T182-E185 WeakPolarHBondContact OG1-CG 3.16Å; T182-E185 PolarHBondContact OG1-OE1 3.22Å; L183-E185 VanDerWaalsContact C-N 3.3Å; L183-E185 PolarHBondContact O-N 2.81Å
186Q87Confident85.6Confident7 Ų756.6 Ų56.63%0.03329%0.294CS..Hα-helixtrans-86.6-15.1-179.1-59.7-60.3-25.900112.5W178 L183 Y184 M241 R242W178-Q186 HydrophobicContact CD2-CG 4.42Å; W178-Q186 HydrophobicContact CH2-CB 4.05Å; W178-Q186 HydrophobicContact CH2-CG 4.3Å; W178-Q186 HydrophobicContact CZ2-CB 4.12Å; W178-Q186 HydrophobicContact CZ2-CG 4.18Å; W178-Q186 HydrophobicContact CZ3-CG 4.46Å; L183-Q186 PolarHBondContact O-N 2.87Å; L183-Q186 VanDerWaalsContact O-N 3.14Å; Y184-Q186 VanDerWaalsContact C-N 3.33Å; Q186-M241 CarbonylContact O-C 3.6Å; Q186-M241 WeakPolarHBondContact O-CA 3.21Å; Q186-R242 PolarHBondContact O-N 3.35Å
187V88.3Confident85.5Confident3 Ų356.8 Ų56.82%0.01829%0.285CS..BIsolated β-bridgetrans-100.9160.4177.5-62.20000112.1L183 Y184 V192 L195 C239 R240 M241L183-V187 PolarHBondContact O-N 2.82Å; Y184-V187 WeakPolarHBondContact O-CG2 3.14Å; V187-V192 HydrophobicContact CG2-CG2 3.67Å; V187-L195 HydrophobicContact CG1-CD2 4.07Å; V187-L195 HydrophobicContact CG2-CD2 3.87Å; V187-C239 HydrophobicContact CG1-CB 4.34Å; V187-R240 CarbonylContact C-O 3.26Å; V187-R240 VanDerWaalsContact CA-O 3.25Å; V187-R240 WeakPolarHBondContact CA-O 3.2Å; V187-M241 HydrophobicContact CG1-CE 4.42Å; V187-M241 HydrophobicContact CG1-CG 4.09Å
188H86.3Confident85.4Confident37 Ų3756.3 Ų56.317%0.17128%0.283CS..  trans-64.2139173.9-169.4-79.6000110.7D190 D191 V192 R240 Y277H188-D190 VanDerWaalsContact C-N 3.31Å; H188-D190 IonicContact CE1-OD1 3.37Å; H188-D190 PolarHBondContact CE1-OD1 2.93Å; H188-D190 IonicContact CE1-OD2 2.97Å; H188-D190 PolarHBondContact CE1-OD2 3.3Å; H188-D190 VanDerWaalsContact ND1-CG 3.29Å; H188-D190 PolarHBondContact ND1-N 2.95Å; H188-D190 IonicContact ND1-OD1 3.59Å; H188-D190 IonicContact ND1-OD2 3.17Å; H188-D190 PolarHBondContact ND1-OD2 3.44Å; H188-D190 PolarHBondContact O-N 3.09Å; H188-D191 PolarHBondContact O-N 3.44Å; H188-V192 PolarHBondContact O-N 2.89Å; H188-R240 HydrophobicContact CB-CB 3.77Å; H188-R240 PolarHBondContact N-O 2.94Å; H188-R240 PolarHBondContact ND1-NH2 2.94Å; H188-Y277 HydrophobicContact CB-CD1 3.98Å; H188-Y277 HydrophobicContact CB-CE1 3.92Å; H188-Y277 AromaticContact CD2-CD2 3.89Å; H188-Y277 AromaticContact CD2-CE2 3.78Å; H188-Y277 AromaticContact CD2-CZ 3.9Å
189P85.3Confident85.1Confident85 Ų8556.3 Ų56.355%0.55228%0.283SS*.Hα-helixtrans-53.6-39.9-176.517.9-32.2000114.2D191 V192P189-D191 PolarHBondContact O-N 2.79Å; P189-V192 WeakPolarHBondContact O-CB 3.38Å; P189-V192 PolarHBondContact O-N 2.83Å
190D86.9Confident84.5Confident103 Ų10354.4 Ų54.455%0.55128%0.28SS*.Hα-helixtrans-65.1-21.3176.9-32.9-29.5000114.3H188 R240H188-D190 VanDerWaalsContact C-N 3.31Å; H188-D190 IonicContact CE1-OD1 3.37Å; H188-D190 PolarHBondContact CE1-OD1 2.93Å; H188-D190 IonicContact CE1-OD2 2.97Å; H188-D190 PolarHBondContact CE1-OD2 3.3Å; H188-D190 VanDerWaalsContact ND1-CG 3.29Å; H188-D190 PolarHBondContact ND1-N 2.95Å; H188-D190 IonicContact ND1-OD1 3.59Å; H188-D190 IonicContact ND1-OD2 3.17Å; H188-D190 PolarHBondContact ND1-OD2 3.44Å; H188-D190 PolarHBondContact O-N 3.09Å; D190-R240 IonicContact OD2-CZ 3.64Å; D190-R240 IonicContact OD2-NH1 3.72Å; D190-R240 IonicContact OD2-NH2 3.36Å; D190-R240 PolarHBondContact OD2-NH2 2.89Å
191D88.2Confident83.9Confident14 Ų1454 Ų548%0.07527%0.269CS..Hα-helixtrans-95-8.1-178.5-60.8-12.3000111.5H188 P189 E193 K194 L195 C239 R240H188-D191 PolarHBondContact O-N 3.44Å; P189-D191 PolarHBondContact O-N 2.79Å; D191-E193 PolarHBondContact O-N 2.84Å; D191-K194 PolarHBondContact O-N 3.41Å; D191-L195 WeakPolarHBondContact O-CB 3.35Å; D191-L195 PolarHBondContact O-N 2.81Å; D191-C239 HydrophobicContact CB-CB 4.35Å; D191-R240 IonicContact OD1-CZ 3.72Å; D191-R240 IonicContact OD1-NE 2.93Å; D191-R240 IonicContact OD1-NH2 3.66Å; D191-R240 PolarHBondContact OD1-NH2 2.8Å; D191-R240 WeakPolarHBondContact OD2-CB 3.23Å; D191-R240 IonicContact OD2-CZ 2.94Å; D191-R240 PolarHBondContact OD2-N 3.49Å; D191-R240 IonicContact OD2-NE 2.87Å; D191-R240 PolarHBondContact OD2-NE 2.99Å; D191-R240 IonicContact OD2-NH2 3.58Å
192V87.7Confident82.4Confident39 Ų3957.1 Ų57.124%0.23629%0.291CS..Hα-helixtrans-61.4-43.7179.7171.20000111.6Y184 V187 H188 P189 L195 R196Y184-V192 HydrophobicContact CD1-CG1 3.83Å; Y184-V192 HydrophobicContact CG-CG1 4.34Å; V187-V192 HydrophobicContact CG2-CG2 3.67Å; H188-V192 PolarHBondContact O-N 2.89Å; P189-V192 WeakPolarHBondContact O-CB 3.38Å; P189-V192 PolarHBondContact O-N 2.83Å; V192-L195 PolarHBondContact O-N 2.77Å; V192-R196 WeakPolarHBondContact O-CB 3.38Å; V192-R196 PolarHBondContact O-N 3.09Å
193E86.4Confident80.1Confident110 Ų11062.1 Ų62.151%0.51431%0.311SS..Hα-helixtrans-64.2-44.7-178.6-163.662.1-136.700111D191 L195 R196 E197D191-E193 PolarHBondContact O-N 2.84Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.78Å; E193-R196 WeakPolarHBondContact O-CB 3.43Å; E193-R196 PolarHBondContact O-N 2.81Å; E193-E197 WeakPolarHBondContact O-CG 3.44Å; E193-E197 PolarHBondContact O-N 3.32Å
194K85.3Confident77.8Confident131 Ų13165.6 Ų65.657%0.5733%0.33SS*.Hα-helixtrans-62.8-40.5175.9-63.4176.4-176167.60111.9D191 R196 E197 Q198D191-K194 PolarHBondContact O-N 3.41Å; K194-R196 VanDerWaalsContact C-N 3.33Å; K194-E197 PolarHBondContact O-N 3.24Å; K194-Q198 VanDerWaalsContact O-CG 3.31Å; K194-Q198 WeakPolarHBondContact O-CG 3.34Å; K194-Q198 PolarHBondContact O-N 3.29Å; K194-Q198 VanDerWaalsContact O-N 3.17Å
195L85.4Confident75.4Confident2 Ų269 Ų691%0.0136%0.362CS..Hα-helixtrans-64.3-41.4176.4176.365.2000111.1L183 Y184 V187 D191 V192 E193 Q198 L199 F237L183-L195 HydrophobicContact CB-CD2 4.25Å; L183-L195 HydrophobicContact CD2-CD1 3.81Å; L183-L195 HydrophobicContact CD2-CD2 3.67Å; L183-L195 HydrophobicContact CD2-CG 4.27Å; L183-L195 HydrophobicContact CG-CD2 3.67Å; Y184-L195 HydrophobicContact CD1-CD2 3.83Å; Y184-L195 HydrophobicContact CD1-CG 4.41Å; Y184-L195 HydrophobicContact CE1-CD2 4.02Å; Y184-L195 HydrophobicContact CE1-CG 4.16Å; V187-L195 HydrophobicContact CG1-CD2 4.07Å; V187-L195 HydrophobicContact CG2-CD2 3.87Å; D191-L195 WeakPolarHBondContact O-CB 3.35Å; D191-L195 PolarHBondContact O-N 2.81Å; V192-L195 PolarHBondContact O-N 2.77Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 2.78Å; L195-Q198 PolarHBondContact O-N 3.27Å; L195-L199 HydrophobicContact CD1-CD1 4.09Å; L195-L199 HydrophobicContact CD1-CG 4.27Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.91Å; L195-L199 HydrophobicContact CG-CG 4.47Å; L195-L199 WeakPolarHBondContact O-CG 3.07Å; L195-L199 PolarHBondContact O-N 3.32Å; L195-F237 HydrophobicContact CD1-CD2 4.21Å; L195-F237 HydrophobicContact CD1-CE1 4.05Å; L195-F237 HydrophobicContact CD1-CE2 3.41Å; L195-F237 VanDerWaalsContact CD1-CE2 3.41Å; L195-F237 HydrophobicContact CD1-CZ 3.31Å
196R85.2Confident73Confident138 Ų13868.7 Ų68.752%0.52136%0.361SS..Hα-helixtrans-61.5-44177.4-169.8179.6-176.3173.12.5111Y184 V192 E193 K194 Q198 L199 C200Y184-R196 HydrophobicContact CE1-CB 4.2Å; V192-R196 WeakPolarHBondContact O-CB 3.38Å; V192-R196 PolarHBondContact O-N 3.09Å; E193-R196 WeakPolarHBondContact O-CB 3.43Å; E193-R196 PolarHBondContact O-N 2.81Å; K194-R196 VanDerWaalsContact C-N 3.33Å; R196-Q198 VanDerWaalsContact C-N 3.3Å; R196-Q198 PolarHBondContact O-N 3.34Å; R196-L199 PolarHBondContact O-N 2.89Å; R196-C200 WeakPolarHBondContact O-CB 3.48Å; R196-C200 PolarHBondContact O-N 3.43Å; R196-C200 PolarHBondContact O-SG 3.23Å
197E83Confident70.7Confident97 Ų9773.5 Ų73.545%0.45339%0.391SS..Hα-helixtrans-58.6-39.8173.7-70.5171.6177.900112.4E193 K194 C200E193-E197 WeakPolarHBondContact O-CG 3.44Å; E193-E197 PolarHBondContact O-N 3.32Å; K194-E197 PolarHBondContact O-N 3.24Å; E197-C200 VanDerWaalsContact O-O 3.14Å
198Q82.1Confident68.4Low62 Ų6276.4 Ų76.429%0.2942%0.422SS..Hα-helixtrans-71.5-35.2179.6-66.9-64.6-38.800113.3K194 L195 R196 R235 F237K194-Q198 VanDerWaalsContact O-CG 3.31Å; K194-Q198 WeakPolarHBondContact O-CG 3.34Å; K194-Q198 PolarHBondContact O-N 3.29Å; K194-Q198 VanDerWaalsContact O-N 3.17Å; L195-Q198 PolarHBondContact O-N 3.27Å; R196-Q198 VanDerWaalsContact C-N 3.3Å; R196-Q198 PolarHBondContact O-N 3.34Å; Q198-R235 WeakPolarHBondContact O-CD 3.3Å; Q198-R235 PolarHBondContact O-NE 3.42Å; Q198-F237 HydrophobicContact CB-CD1 3.96Å; Q198-F237 HydrophobicContact CB-CE1 4.4Å; Q198-F237 HydrophobicContact CG-CB 4.01Å; Q198-F237 HydrophobicContact CG-CD1 4.02Å; Q198-F237 HydrophobicContact CG-CG 4.2Å
199L77.8Confident66.4Low1 Ų182.8 Ų82.81%0.00545%0.445CS..Hα-helixtrans-77.8-35.8176.6-70.6171.5000111.9V153 Y184 L195 R196 T201 L311V153-L199 HydrophobicContact CG2-CD2 3.8Å; Y184-L199 HydrophobicContact CE1-CD1 4.04Å; L195-L199 HydrophobicContact CD1-CD1 4.09Å; L195-L199 HydrophobicContact CD1-CG 4.27Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.91Å; L195-L199 HydrophobicContact CG-CG 4.47Å; L195-L199 WeakPolarHBondContact O-CG 3.07Å; L195-L199 PolarHBondContact O-N 3.32Å; R196-L199 PolarHBondContact O-N 2.89Å; L199-T201 PolarHBondContact O-N 3.49Å; L199-L311 HydrophobicContact CD2-CB 3.68Å; L199-L311 HydrophobicContact CD2-CD2 3.57Å; L199-L311 HydrophobicContact CD2-CG 4.25Å
200C69.8Low64.6Low45 Ų4585.9 Ų85.930%0.30446%0.455SS..  trans-64.8109.3173.3-75.90000109.3R196 E197 S202R196-C200 WeakPolarHBondContact O-CB 3.48Å; R196-C200 PolarHBondContact O-N 3.43Å; R196-C200 PolarHBondContact O-SG 3.23Å; E197-C200 VanDerWaalsContact O-O 3.14Å; C200-S202 PolarHBondContact O-N 3.36Å
201T59.9Low62.9Low35 Ų3587.8 Ų87.822%0.21546%0.464CS..SBendtrans-69.4-0.1171.356.70000112.9L199 C230 I286L199-T201 PolarHBondContact O-N 3.49Å; T201-C230 HydrophobicContact CG2-CB 3.81Å; T201-C230 PolarHBondContact O-SG 3.38Å; T201-I286 HydrophobicContact CG2-CG2 4.1Å
202S52.6Low61Low92 Ų9291.3 Ų91.364%0.64348%0.483SS*.  trans-109.963.2-176.861.90000111.7C200C200-S202 PolarHBondContact O-N 3.36Å
203E39.7Very low59.6Low138 Ų13897.5 Ų97.565%0.64551%0.514SS*.  trans-128.299.4154-122.1-112.398.500102.2
204N40.8Very low57.7Low73 Ų73101.3 Ų101.339%0.3953%0.529SS..  -175.273.476-171.121.4000111M206 T207N204-M206 PolarHBondContact O-N 3.13Å; N204-T207 WeakPolarHBondContact ND2-CB 3.44Å; N204-T207 PolarHBondContact ND2-OG1 3.45Å; N204-T207 WeakPolarHBondContact OD1-CB 3.39Å; N204-T207 PolarHBondContact OD1-N 2.86Å
205S38.9Very low56.4Low122 Ų12299.1 Ų99.185%0.85353%0.527SS*.SBendtrans-81.91.917770.60000113.8
206M37.2Very low54.8Low109 Ų109102.5 Ų102.554%0.53756%0.562SS.*SBendtrans-106.1-37.7-177.2-145.3-28.6-14500112.8N204 G208 R209N204-M206 PolarHBondContact O-N 3.13Å; M206-G208 PolarHBondContact O-N 2.77Å; M206-R209 PolarHBondContact O-N 3.46Å; M206-R209 HydrophobicContact SD-CG 4.2Å; M206-R209 PolarHBondContact SD-NE 3.11Å; M206-R209 PolarHBondContact SD-NH2 3.45Å
207T37.2Very low53.2Low107 Ų107101.2 Ų101.266%0.65657%0.57SS**THydrogen-bonded Turntrans-76.9-6.4-177.9137.70000114.1N204 R209N204-T207 WeakPolarHBondContact ND2-CB 3.44Å; N204-T207 PolarHBondContact ND2-OG1 3.45Å; N204-T207 WeakPolarHBondContact OD1-CB 3.39Å; N204-T207 PolarHBondContact OD1-N 2.86Å; T207-R209 VanDerWaalsContact C-N 3.29Å; T207-R209 PolarHBondContact O-N 3.24Å
208G40.4Very low51.3Low65 Ų65103 Ų10367%0.6759%0.587SS**THydrogen-bonded Turntrans-81.33.3170.700000115M206 I210M206-G208 PolarHBondContact O-N 2.77Å; G208-I210 PolarHBondContact O-N 3.09Å
209R44.2Very low49.5Very low171 Ų171109.8 Ų109.865%0.64562%0.615SS**  trans-77.770.3167.6-61.6-170.6-152.7160.29.6109.4M206 T207 L211M206-R209 PolarHBondContact O-N 3.46Å; M206-R209 HydrophobicContact SD-CG 4.2Å; M206-R209 PolarHBondContact SD-NE 3.11Å; M206-R209 PolarHBondContact SD-NH2 3.45Å; T207-R209 VanDerWaalsContact C-N 3.29Å; T207-R209 PolarHBondContact O-N 3.24Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.12Å
210I48Very low48Very low150 Ų150118 Ų11877%0.76965%0.651SS**  trans-65.9104.3158.7-64.5170.9000105.2G208 D212G208-I210 PolarHBondContact O-N 3.09Å; I210-D212 VanDerWaalsContact C-N 3.34Å; I210-D212 PolarHBondContact O-N 2.76Å
211L51Low46.5Very low142 Ų142124.8 Ų124.874%0.74368%0.678SS**  trans-68.698.6168-130.4125000105.6R209 L213R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.12Å; L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.86Å
212D49.2Very low45.6Very low88 Ų88125.3 Ų125.347%0.47169%0.691SS.*  trans-6599169.5177.818.9000107.9I210 K214 T215 G216I210-D212 VanDerWaalsContact C-N 3.34Å; I210-D212 PolarHBondContact O-N 2.76Å; D212-K214 PolarHBondContact O-N 3.49Å; D212-K214 WeakPolarHBondContact OD1-CB 3.38Å; D212-K214 PolarHBondContact OD1-N 3.14Å; D212-T215 PolarHBondContact O-N 3.42Å; D212-T215 PolarHBondContact OD2-OG1 3.5Å; D212-G216 PolarHBondContact O-N 3.47Å
213L57.5Low45.2Very low170 Ų170128.6 Ų128.689%0.8970%0.696SS**THydrogen-bonded Turntrans-60.4-11.6-177.9-170.158.1000112L211L211-L213 VanDerWaalsContact C-N 3.32Å; L211-L213 PolarHBondContact O-N 2.86Å
214K46.7Very low45.3Very low189 Ų189130.1 Ų130.182%0.82270%0.703SS**THydrogen-bonded Turntrans-89.6-17.4177.5-165.3168179.2178.30114.5D212D212-K214 PolarHBondContact O-N 3.49Å; D212-K214 WeakPolarHBondContact OD1-CB 3.38Å; D212-K214 PolarHBondContact OD1-N 3.14Å
215T58.3Low45.3Very low86 Ų86130.6 Ų130.653%0.52871%0.712SS.*THydrogen-bonded Turntrans-136.9-5.1-168.9-23.10000116.2D212 T217D212-T215 PolarHBondContact O-N 3.42Å; D212-T215 PolarHBondContact OD2-OG1 3.5Å; T215-T217 PolarHBondContact O-N 3.27Å; T215-T217 PolarHBondContact O-OG1 3.45Å
216G50.3Low45.5Very low72 Ų72128 Ų12874%0.74269%0.694SS**  trans5614.616400000117D212D212-G216 PolarHBondContact O-N 3.47Å
217T52.3Low45.7Very low112 Ų112128.3 Ų128.369%0.68770%0.696SS**  trans-121.3120.7-174.729.50000110.8T215 K219T215-T217 PolarHBondContact O-N 3.27Å; T215-T217 PolarHBondContact O-OG1 3.45Å; T217-K219 PolarHBondContact O-N 3.35Å; T217-K219 VanDerWaalsContact O-N 3.15Å
218V42.4Very low45.9Very low135 Ų135133.2 Ų133.282%0.81870%0.702SS**  trans-76.698.4175.3-178.30000108.2K220V218-K220 PolarHBondContact O-N 3.35Å
219K44.3Very low46Very low203 Ų203137.2 Ų137.288%0.88371%0.705SS**  trans-84.9107.7173.5-144.9177.6179.7-177.50108.9T217 E221T217-K219 PolarHBondContact O-N 3.35Å; T217-K219 VanDerWaalsContact O-N 3.15Å; K219-E221 PolarHBondContact O-N 3.24Å
220K47.9Very low46.4Very low173 Ų173129.4 Ų129.475%0.75268%0.677SS**  trans-72.191.2174.3-176.5-178.3178.6-178.70109.1V218V218-K220 PolarHBondContact O-N 3.35Å
221E38.6Very low46.8Very low188 Ų188127.3 Ų127.388%0.87967%0.665SS**  trans-75.3138167.8-139.3177.9-16200109.6K219K219-E221 PolarHBondContact O-N 3.24Å
222G40.8Very low47.3Very low47 Ų47123.1 Ų123.149%0.48566%0.656SS.*  trans-64.1143.9-159.100000116.1Q224 S225G222-Q224 PolarHBondContact O-N 2.95Å; G222-S225 PolarHBondContact O-OG 3.37Å
223Q43.8Very low48.3Very low160 Ų160120.5 Ų120.575%0.74864%0.644SS**THydrogen-bonded Turntrans-58.74.7176.2-72172.3-80.600115.9
224Q41.2Very low49.4Very low170 Ų170119.8 Ų119.879%0.79463%0.63SS**THydrogen-bonded Turntrans-92-21.1-172-70.5-176.8-11.100114.3G222G222-Q224 PolarHBondContact O-N 2.95Å
225S40.2Very low51.2Low84 Ų84113 Ų11359%0.58760%0.599SS**THydrogen-bonded Turntrans-79.1-35.5-177.644.80000113.1G222 M227 R228G222-S225 PolarHBondContact O-OG 3.37Å; S225-M227 PolarHBondContact O-N 3.4Å; S225-R228 PolarHBondContact O-N 2.82Å
226S44.8Very low52.4Low66 Ų66111.5 Ų111.546%0.46259%0.592SS.*G310 helixtrans-63.5-41-179.71760000112.6R228 M229 C230S226-R228 VanDerWaalsContact C-N 3.25Å; S226-R228 PolarHBondContact O-N 2.91Å; S226-M229 PolarHBondContact O-N 3.11Å; S226-M229 VanDerWaalsContact O-N 3.12Å; S226-C230 PolarHBondContact O-SG 2.87Å
227M40Very low54.1Low117 Ų117109 Ų10958%0.57656%0.561SS**G310 helixtrans-69.3-21.2-175.7-152.7144.352.600113.6S225S225-M227 PolarHBondContact O-N 3.4Å
228R42.7Very low55.8Low210 Ų210107.8 Ų107.879%0.79255%0.549SS*.G310 helixtrans-80.5-24.5175.3-159.4-175.4-69.6-163.4-0.5112.5S225 S226 C230S225-R228 PolarHBondContact O-N 2.82Å; S226-R228 VanDerWaalsContact C-N 3.25Å; S226-R228 PolarHBondContact O-N 2.91Å; R228-C230 VanDerWaalsContact C-N 3.28Å; R228-C230 PolarHBondContact O-N 3.11Å
229M42.6Very low58Low148 Ų148101.5 Ų101.573%0.72951%0.512SS*.SBendtrans-79-11179.6-57.7-59.2-141.400113.3S226S226-M229 PolarHBondContact O-N 3.11Å; S226-M229 VanDerWaalsContact O-N 3.12Å
230C51.5Low60Low8 Ų894.5 Ų94.55%0.05448%0.479CS..SBendtrans-86.2-28.1-175.8-510000113T201 S226 R228 I286T201-C230 HydrophobicContact CG2-CB 3.81Å; T201-C230 PolarHBondContact O-SG 3.38Å; S226-C230 PolarHBondContact O-SG 2.87Å; R228-C230 VanDerWaalsContact C-N 3.28Å; R228-C230 PolarHBondContact O-N 3.11Å; C230-I286 WeakPolarHBondContact O-CB 3.44Å; C230-I286 WeakPolarHBondContact O-CG2 3.04Å
231M56.8Low61.9Low106 Ų10686.2 Ų86.252%0.52244%0.444SS..THydrogen-bonded Turntrans-80.9122.3-179.7-68.2-179.764.200110.5S233 A288 Y309M231-S233 VanDerWaalsContact C-N 3.3Å; M231-A288 HydrophobicContact CE-CB 3.88Å; M231-Y309 HydrophobicContact CG-CD1 4.19Å; M231-Y309 HydrophobicContact CG-CE1 3.56Å; M231-Y309 HydrophobicContact SD-CE1 4.03Å
232G60.9Low64.1Low53 Ų5382.2 Ų82.255%0.54642%0.421SS..THydrogen-bonded Turntrans816.1-178.200000114.4R234 I286G232-R234 PolarHBondContact O-N 3.22Å; G232-I286 WeakPolarHBondContact CA-O 3.38Å; G232-I286 PolarHBondContact N-O 2.89Å
233S70.9Confident66.1Low34 Ų3480.6 Ų80.624%0.23840%0.401CS..  trans-69129.6178.8-160.10000110.6M231 R235 Y285 I286M231-S233 VanDerWaalsContact C-N 3.3Å; S233-R235 PolarHBondContact OG-NH1 3.05Å; S233-Y285 WeakPolarHBondContact O-CA 3.21Å; S233-I286 PolarHBondContact O-N 2.72Å; S233-I286 VanDerWaalsContact O-N 3.09Å
234R81Confident67.6Low155 Ų15573.1 Ų73.159%0.58537%0.367SS*.EExtended strand (participates in β ladder)trans-70.8135.8174.6-168.1175.3173.5-167-4.7109.3G232 G284 Y285G232-R234 PolarHBondContact O-N 3.22Å; R234-G284 CarbonylContact C-O 3.56Å; R234-G284 WeakPolarHBondContact CA-O 3.49Å; R234-Y285 HydrophobicContact CB-CD1 3.87Å; R234-Y285 HydrophobicContact CB-CE1 3.55Å; R234-Y285 HydrophobicContact CG-CD1 4.2Å; R234-Y285 HydrophobicContact CG-CE1 3.64Å
235R83.3Confident68.7Low45 Ų4571.9 Ų71.917%0.1737%0.366CS..EExtended strand (participates in β ladder)trans-124.5135174.5-67.9-71.5-175.5-93.83.2108.7Q198 S233 G284 I286 L311Q198-R235 WeakPolarHBondContact O-CD 3.3Å; Q198-R235 PolarHBondContact O-NE 3.42Å; S233-R235 PolarHBondContact OG-NH1 3.05Å; R235-G284 PolarHBondContact N-O 3.5Å; R235-G284 PolarHBondContact O-N 2.89Å; R235-I286 HydrophobicContact CG-CD1 4.21Å; R235-I286 HydrophobicContact CG-CG1 3.97Å; R235-L311 HydrophobicContact CB-CD1 4.07Å; R235-L311 HydrophobicContact CG-CD1 4.38Å
236S84.4Confident69.6Low56 Ų5668.8 Ų68.839%0.39235%0.346SS..EExtended strand (participates in β ladder)trans-141.7121.5178.9-157.10000108H281 C282 T283S236-H281 PolarHBondContact OG-CE1 2.87Å; S236-H281 PolarHBondContact OG-NE2 2.95Å; S236-C282 CarbonylContact C-O 3.39Å; S236-C282 VanDerWaalsContact CA-O 3.31Å; S236-C282 WeakPolarHBondContact CA-O 3.26Å; S236-T283 WeakPolarHBondContact OG-CG2 3.33Å
237F85.7Confident69.9Low20 Ų2070.5 Ų70.59%0.08836%0.355CS..EExtended strand (participates in β ladder)trans-148.5155.7178.859.6-92.7000110.9L195 Q198 C239 H281 C282 L311L195-F237 HydrophobicContact CD1-CD2 4.21Å; L195-F237 HydrophobicContact CD1-CE1 4.05Å; L195-F237 HydrophobicContact CD1-CE2 3.41Å; L195-F237 VanDerWaalsContact CD1-CE2 3.41Å; L195-F237 HydrophobicContact CD1-CZ 3.31Å; Q198-F237 HydrophobicContact CB-CD1 3.96Å; Q198-F237 HydrophobicContact CB-CE1 4.4Å; Q198-F237 HydrophobicContact CG-CB 4.01Å; Q198-F237 HydrophobicContact CG-CD1 4.02Å; Q198-F237 HydrophobicContact CG-CG 4.2Å; F237-C239 HydrophobicContact CD2-CB 4.19Å; F237-C239 HydrophobicContact CE2-CB 4.34Å; F237-H281 PolarHBondContact O-CD2 3.16Å; F237-C282 HydrophobicContact CD1-CB 4.34Å; F237-C282 HydrophobicContact CD2-CB 3.94Å; F237-C282 HydrophobicContact CE1-CB 3.92Å; F237-C282 HydrophobicContact CE2-CB 3.46Å; F237-C282 VanDerWaalsContact CE2-CB 3.46Å; F237-C282 HydrophobicContact CG-CB 4.35Å; F237-C282 HydrophobicContact CZ-CB 3.45Å; F237-C282 VanDerWaalsContact CZ-CB 3.45Å; F237-C282 PolarHBondContact N-O 3.06Å; F237-C282 PolarHBondContact O-N 3.28Å; F237-L311 HydrophobicContact CE1-CD2 3.92Å; F237-L311 HydrophobicContact CZ-CD2 4.26Å
238I88.1Confident70.6Confident85 Ų8567.5 Ų67.544%0.43634%0.341SS..EExtended strand (participates in β ladder)trans-108.8129.2175-59170.2000106.8V279 H281I238-V279 HydrophobicContact CG2-CG1 3.37Å; I238-H281 HydrophobicContact CG1-CB 4.4Å
239C88.5Confident70.7Confident4 Ų463.7 Ų63.73%0.02734%0.337CS..EExtended strand (participates in β ladder)trans-140.6154.1177.2630000110.5V187 D191 F237 V280V187-C239 HydrophobicContact CG1-CB 4.34Å; D191-C239 HydrophobicContact CB-CB 4.35Å; F237-C239 HydrophobicContact CD2-CB 4.19Å; F237-C239 HydrophobicContact CE2-CB 4.34Å; C239-V280 PolarHBondContact N-O 2.86Å; C239-V280 PolarHBondContact O-N 3.45Å
240R86.4Confident70.9Confident55 Ų5565.2 Ų65.221%0.20834%0.342CS..EExtended strand (participates in β ladder)trans-86.2117.8171.6-69.9169.6-70.4170.7-2.7108.8V187 H188 D190 D191 L267 Y277 A278 V279V187-R240 CarbonylContact C-O 3.26Å; V187-R240 VanDerWaalsContact CA-O 3.25Å; V187-R240 WeakPolarHBondContact CA-O 3.2Å; H188-R240 HydrophobicContact CB-CB 3.77Å; H188-R240 PolarHBondContact N-O 2.94Å; H188-R240 PolarHBondContact ND1-NH2 2.94Å; D190-R240 IonicContact OD2-CZ 3.64Å; D190-R240 IonicContact OD2-NH1 3.72Å; D190-R240 IonicContact OD2-NH2 3.36Å; D190-R240 PolarHBondContact OD2-NH2 2.89Å; D191-R240 IonicContact OD1-CZ 3.72Å; D191-R240 IonicContact OD1-NE 2.93Å; D191-R240 IonicContact OD1-NH2 3.66Å; D191-R240 PolarHBondContact OD1-NH2 2.8Å; D191-R240 WeakPolarHBondContact OD2-CB 3.23Å; D191-R240 IonicContact OD2-CZ 2.94Å; D191-R240 PolarHBondContact OD2-N 3.49Å; D191-R240 IonicContact OD2-NE 2.87Å; D191-R240 PolarHBondContact OD2-NE 2.99Å; D191-R240 IonicContact OD2-NH2 3.58Å; R240-L267 HydrophobicContact CG-CD1 4.23Å; R240-Y277 HydrophobicContact CB-CD1 4.42Å; R240-A278 CarbonylContact C-O 3.53Å; R240-A278 WeakPolarHBondContact CA-O 3.49Å; R240-V279 HydrophobicContact CG-CG2 4.22Å
241M88.2Confident71.1Confident0 Ų067.3 Ų67.30%035%0.352CS..EExtended strand (participates in β ladder)trans-104.6143.3177.5-70.5-179.6159.700110.8F149 F151 L171 W178 L183 Q186 V187 C243 Y277 A278 V280F149-M241 HydrophobicContact CE1-SD 4.29Å; F149-M241 HydrophobicContact CZ-CE 4.34Å; F149-M241 HydrophobicContact CZ-SD 3.7Å; F151-M241 HydrophobicContact CE1-CE 4.41Å; F151-M241 HydrophobicContact CZ-CE 4.35Å; L171-M241 HydrophobicContact CD1-CB 4.1Å; L171-M241 HydrophobicContact CD1-SD 4.01Å; L171-M241 HydrophobicContact CD2-CB 4.33Å; W178-M241 HydrophobicContact CH2-CE 4.38Å; W178-M241 HydrophobicContact CH2-SD 4.18Å; L183-M241 HydrophobicContact CD1-CE 3.95Å; Q186-M241 CarbonylContact O-C 3.6Å; Q186-M241 WeakPolarHBondContact O-CA 3.21Å; V187-M241 HydrophobicContact CG1-CE 4.42Å; V187-M241 HydrophobicContact CG1-CG 4.09Å; M241-C243 PolarHBondContact O-N 2.92Å; M241-Y277 CarbonylContact O-C 3.54Å; M241-Y277 VanDerWaalsContact O-CA 3.32Å; M241-Y277 WeakPolarHBondContact O-CA 3.44Å; M241-A278 PolarHBondContact N-O 2.9Å; M241-A278 PolarHBondContact O-N 3.46Å; M241-V280 HydrophobicContact CB-CG2 3.93Å; M241-V280 HydrophobicContact CG-CB 4.16Å; M241-V280 HydrophobicContact CG-CG2 4.03Å; M241-V280 HydrophobicContact SD-CB 3.73Å; M241-V280 HydrophobicContact SD-CG1 3.81Å; M241-V280 HydrophobicContact SD-CG2 3.74Å
242R85.6Confident70.9Confident104 Ų10466.4 Ų66.439%0.39235%0.354SS..EExtended strand (participates in β ladder)trans-67.6127.5178.2-175177-179.6-175.90.1110.1Q186 A275 Y277Q186-R242 PolarHBondContact O-N 3.35Å; R242-A275 HydrophobicContact CG-CB 4.27Å; R242-Y277 HydrophobicContact CB-CD1 4.29Å; R242-Y277 HydrophobicContact CB-CE1 3.99Å
243C82.6Confident70.4Confident12 Ų1270.6 Ų70.68%0.08136%0.363CS..PPolyproline II helixtrans-88.7136.9170.4-58.80000109.6L171 M241 Q276 A278L171-C243 CarbonylContact O-C 3.57Å; L171-C243 WeakPolarHBondContact O-CA 2.97Å; M241-C243 PolarHBondContact O-N 2.92Å; C243-Q276 HydrophobicContact CB-CB 4.2Å; C243-Q276 HydrophobicContact CB-CG 4.24Å; C243-Q276 PolarHBondContact N-O 3.49Å; C243-A278 WeakPolarHBondContact SG-CB 3.37Å
244G74Confident69.6Low3 Ų375.6 Ų75.63%0.03139%0.387CS..PPolyproline II helixtrans-88.7173.6177.400000113.4L171 N172 Q173L171-G244 PolarHBondContact O-N 2.95Å; N172-G244 WeakPolarHBondContact CB-O 3.34Å; N172-G244 PolarHBondContact ND2-O 3.45Å; N172-G244 CarbonylContact O-C 3.42Å; N172-G244 VanDerWaalsContact O-C 3.26Å; N172-G244 VanDerWaalsContact O-CA 3.27Å; N172-G244 WeakPolarHBondContact O-CA 3.49Å; Q173-G244 VanDerWaalsContact OE1-CA 3.28Å
245N64.9Low68.1Low144 Ų14474.1 Ų74.177%0.7738%0.382SS*.  trans-113.527.7176.1-9646.9000112.2
246A58.9Low66.6Low20 Ų2073.5 Ų73.517%0.16538%0.382CS..  trans-55.1131.1-178.800000111.2N172 L248N172-A246 PolarHBondContact ND2-N 3.28Å; N172-A246 VanDerWaalsContact ND2-N 3.2Å; N172-A246 PolarHBondContact ND2-O 3.42Å; N172-A246 WeakPolarHBondContact O-CB 3.31Å; N172-A246 PolarHBondContact O-N 3.42Å; N172-A246 PolarHBondContact OD1-O 3.28Å; A246-L248 PolarHBondContact O-N 2.91Å
247P50.2Low64.8Low102 Ų10275.2 Ų75.266%0.66239%0.39SS*.  trans-67.5123.1176.725.4-31000109.7D249P247-D249 PolarHBondContact O-N 2.76Å
248L54.8Low63.1Low54 Ų5478 Ų7828%0.28341%0.409SS..  trans-81.654.9179.9-65.1167.5000110.7N172 A246 H250 L251 M259N172-L248 WeakPolarHBondContact OD1-CD2 3.49Å; A246-L248 PolarHBondContact O-N 2.91Å; L248-H250 VanDerWaalsContact C-N 3.25Å; L248-H250 PolarHBondContact O-N 3.03Å; L248-L251 HydrophobicContact CD2-CD1 3.92Å; L248-M259 HydrophobicContact CD2-CE 4.04Å
249D45.3Very low61.3Low129 Ų12974.3 Ų74.369%0.6939%0.389SS*.THydrogen-bonded Turntrans-75.6-6-170.2-78.3-23.9000114.7P247P247-D249 PolarHBondContact O-N 2.76Å
250H47.5Very low59.6Low181 Ų18183.1 Ų83.184%0.83842%0.422SS*.THydrogen-bonded Turntrans-130.320.5-173.6-72.6-71000116.5L248L248-H250 VanDerWaalsContact C-N 3.25Å; L248-H250 PolarHBondContact O-N 3.03Å
251L54.9Low57.8Low51 Ų5188.9 Ų88.927%0.26745%0.449SS..SBendtrans-109.7137.9179-69.1171.6000113L248 I256 M259L248-L251 HydrophobicContact CD2-CD1 3.92Å; L251-I256 HydrophobicContact CB-CG1 4.3Å; L251-I256 VanDerWaalsContact O-CD1 3.22Å; L251-I256 WeakPolarHBondContact O-CD1 3.26Å; L251-M259 HydrophobicContact CD1-CE 4.16Å
252P52.3Low56.1Low88 Ų8891.8 Ų91.857%0.57146%0.46SS*.  trans-61140.517623.4-31.4000110.8N254 R255 I256P252-N254 PolarHBondContact O-N 3.2Å; P252-R255 PolarHBondContact O-N 2.86Å; P252-I256 PolarHBondContact O-N 3.06Å
253L52Low54.5Low141 Ų14189.8 Ų89.874%0.73845%0.454SS*.Hα-helixtrans-45.4-34.2-174.6-111.471.3000114.6R255 I256 T257L253-R255 PolarHBondContact O-N 3.42Å; L253-I256 HydrophobicContact CD1-CD1 4.36Å; L253-I256 WeakPolarHBondContact O-CB 3.41Å; L253-I256 PolarHBondContact O-N 3.4Å; L253-T257 PolarHBondContact O-N 3.48Å; L253-T257 PolarHBondContact O-OG1 2.77Å
254N52.2Low53Low138 Ų13897.6 Ų97.674%0.73848%0.482SS*.Hα-helixtrans-67.1-31.3178.9-72.3-23.3000114.1P252 T258P252-N254 PolarHBondContact O-N 3.2Å; N254-T258 PolarHBondContact O-OG1 3.05Å
255R51.3Low51.9Low125 Ų12598.2 Ų98.247%0.47248%0.484SS..Hα-helixtrans-73.7-37171-87-167.8179.21773.6110.8P252 L253 T257 T258 M259P252-R255 PolarHBondContact O-N 2.86Å; L253-R255 PolarHBondContact O-N 3.42Å; R255-T257 VanDerWaalsContact C-N 3.3Å; R255-T257 PolarHBondContact O-N 3.07Å; R255-T258 PolarHBondContact O-N 3.34Å; R255-M259 WeakPolarHBondContact O-CB 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.44Å; R255-M259 PolarHBondContact O-N 3.11Å
256I50.8Low51.2Low32 Ų3291.8 Ų91.816%0.16445%0.452CS..Hα-helixtrans-60-38.8-178.9-63.9170.6000111.5L251 P252 L253 M259 R260L251-I256 HydrophobicContact CB-CG1 4.3Å; L251-I256 VanDerWaalsContact O-CD1 3.22Å; L251-I256 WeakPolarHBondContact O-CD1 3.26Å; P252-I256 PolarHBondContact O-N 3.06Å; L253-I256 HydrophobicContact CD1-CD1 4.36Å; L253-I256 WeakPolarHBondContact O-CB 3.41Å; L253-I256 PolarHBondContact O-N 3.4Å; I256-M259 PolarHBondContact O-N 3.15Å; I256-R260 WeakPolarHBondContact O-CB 3.32Å; I256-R260 PolarHBondContact O-N 2.82Å
257T45.8Very low50.7Low92 Ų9296.3 Ų96.356%0.56447%0.473SS*.Hα-helixtrans-68-42.7179-230000112.6L253 R255 M259 R260 K261L253-T257 PolarHBondContact O-N 3.48Å; L253-T257 PolarHBondContact O-OG1 2.77Å; R255-T257 VanDerWaalsContact C-N 3.3Å; R255-T257 PolarHBondContact O-N 3.07Å; T257-M259 VanDerWaalsContact C-N 3.28Å; T257-M259 PolarHBondContact O-N 3.36Å; T257-R260 PolarHBondContact O-N 3.08Å; T257-K261 PolarHBondContact O-N 3.29Å; T257-K261 VanDerWaalsContact O-N 3.08Å
258T50.5Low50.5Low79 Ų7993.8 Ų93.849%0.48547%0.466SS..Hα-helixtrans-65.9-34.1175.5-470000111.3N254 R255 R262N254-T258 PolarHBondContact O-OG1 3.05Å; R255-T258 PolarHBondContact O-N 3.34Å; T258-R262 WeakPolarHBondContact O-CG 3.34Å; T258-R262 PolarHBondContact O-N 3.13Å
259M50.9Low50Low6 Ų697.2 Ų97.23%0.0349%0.491CS..Hα-helixtrans-73.7-42178.2-60.4-98.1-74.700111.6P169 L248 L251 R255 I256 T257 K261 R262 F263P169-M259 HydrophobicContact CB-CE 3.57Å; P169-M259 HydrophobicContact CB-SD 3.56Å; P169-M259 VanDerWaalsContact CB-SD 3.56Å; P169-M259 WeakPolarHBondContact O-CE 3.36Å; L248-M259 HydrophobicContact CD2-CE 4.04Å; L251-M259 HydrophobicContact CD1-CE 4.16Å; R255-M259 WeakPolarHBondContact O-CB 3.29Å; R255-M259 WeakPolarHBondContact O-CG 3.44Å; R255-M259 PolarHBondContact O-N 3.11Å; I256-M259 PolarHBondContact O-N 3.15Å; T257-M259 VanDerWaalsContact C-N 3.28Å; T257-M259 PolarHBondContact O-N 3.36Å; M259-K261 VanDerWaalsContact C-N 3.29Å; M259-K261 PolarHBondContact O-N 3.18Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.99Å; M259-R262 VanDerWaalsContact O-N 3.16Å; M259-F263 WeakPolarHBondContact O-CB 3.3Å; M259-F263 PolarHBondContact O-N 3.39Å
260R51.7Low50.4Low190 Ų19095.3 Ų95.372%0.71748%0.484SS*.Hα-helixtrans-59.6-37.1170.9-90.7-176.7-176.3152.32.7112.9I256 T257 R262 F263I256-R260 WeakPolarHBondContact O-CB 3.32Å; I256-R260 PolarHBondContact O-N 2.82Å; T257-R260 PolarHBondContact O-N 3.08Å; R260-R262 VanDerWaalsContact C-N 3.32Å; R260-F263 PolarHBondContact O-N 3.3Å
261K50.2Low50.5Low175 Ų17593.3 Ų93.376%0.76147%0.473SS*.Hα-helixtrans-68.7-32.3177.3-149.5176.2-174.6-177.50112T257 M259T257-K261 PolarHBondContact O-N 3.29Å; T257-K261 VanDerWaalsContact O-N 3.08Å; M259-K261 VanDerWaalsContact C-N 3.29Å; M259-K261 PolarHBondContact O-N 3.18Å
262R52.7Low49.8Very low62 Ų62100.7 Ų100.723%0.23451%0.506CS..Hα-helixtrans-78.5-30.6173-72.7-169.9-83.9-163.9-6.7113.6D147 T258 M259 R260 R264 N265 L317D147-R262 IonicContact OD1-CZ 3.55Å; D147-R262 IonicContact OD1-NH1 2.93Å; D147-R262 PolarHBondContact OD1-NH1 2.95Å; D147-R262 IonicContact OD2-NH1 2.86Å; D147-R262 PolarHBondContact OD2-NH1 3.16Å; T258-R262 WeakPolarHBondContact O-CG 3.34Å; T258-R262 PolarHBondContact O-N 3.13Å; M259-R262 CarbonylContact O-C 3.58Å; M259-R262 PolarHBondContact O-N 2.99Å; M259-R262 VanDerWaalsContact O-N 3.16Å; R260-R262 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 2.91Å; R262-N265 VanDerWaalsContact O-CB 3.31Å; R262-N265 WeakPolarHBondContact O-CB 3.43Å; R262-N265 PolarHBondContact O-N 2.98Å; R262-N265 PolarHBondContact O-ND2 3.17Å; R262-L317 HydrophobicContact CB-CD2 4.16Å
263F50.4Low49.9Very low62 Ų62100.5 Ų100.527%0.27252%0.52SS..G310 helixtrans-65.9-15.8175.9-117.8-92.1000114.4N172 M259 R260 N265 Q276N172-F263 HydrophobicContact CB-CE2 3.55Å; N172-F263 HydrophobicContact CB-CZ 3.39Å; M259-F263 WeakPolarHBondContact O-CB 3.3Å; M259-F263 PolarHBondContact O-N 3.39Å; R260-F263 PolarHBondContact O-N 3.3Å; F263-N265 PolarHBondContact O-N 3.29Å; F263-Q276 PolarHBondContact O-NE2 3.34Å
264R50.9Low50.4Low175 Ų17599.9 Ų99.966%0.6651%0.513SS*.G310 helixtrans-81.21.7177-141178.1170.6-164.9-4.2113.2R262 G266R262-R264 PolarHBondContact O-N 2.91Å; R264-G266 PolarHBondContact O-N 3.19Å
265N51.1Low51.1Low17 Ų1795.1 Ų95.19%0.09149%0.493CS..G310 helixtrans-85.510.8177.8-60.9-8.4000113.4R262 F263R262-N265 VanDerWaalsContact O-CB 3.31Å; R262-N265 WeakPolarHBondContact O-CB 3.43Å; R262-N265 PolarHBondContact O-N 2.98Å; R262-N265 PolarHBondContact O-ND2 3.17Å; F263-N265 PolarHBondContact O-N 3.29Å
266G50.7Low52.3Low9 Ų990.9 Ų90.99%0.09348%0.479CS..SBendtrans-64142.217100000111.1R264 G268R264-G266 PolarHBondContact O-N 3.19Å; G266-G268 VanDerWaalsContact C-N 3.29Å; G266-G268 PolarHBondContact O-N 2.87Å
267L49.5Very low53.8Low114 Ų11492 Ų9260%0.59748%0.482SS*.SBendtrans-67.887.9171.7-70.1166.9000109.2R240R240-L267 HydrophobicContact CG-CD1 4.23Å
268G45.4Very low55.5Low50 Ų5088 Ų8852%0.51546%0.457SS..SBendtrans87.7172.7172.500000115.6G266 V270G266-G268 VanDerWaalsContact C-N 3.29Å; G266-G268 PolarHBondContact O-N 2.87Å; G268-V270 PolarHBondContact O-N 3.5Å
269P44.7Very low57.1Low125 Ų12585.1 Ų85.181%0.81244%0.44SS*.  trans-65.2128178.126.4-31.5000109.9K271P269-K271 PolarHBondContact O-N 3.43Å
270V52.3Low58.8Low90 Ų9084.9 Ų84.955%0.54544%0.438SS..  trans-60.9111.3176.1178.20000108.1G268 Q276G268-V270 PolarHBondContact O-N 3.5Å; V270-Q276 HydrophobicContact CG2-CB 4.42Å; V270-Q276 HydrophobicContact CG2-CG 4.38Å
271K49.8Very low60.5Low139 Ų13978.6 Ų78.660%0.60442%0.417SS*.  trans-71132.5164.8-69.6179.9-179.7173.90107.5P269 G273 E274P269-K271 PolarHBondContact O-N 3.43Å; K271-G273 PolarHBondContact O-N 2.94Å; K271-E274 HydrophobicContact CB-CG 4.44Å; K271-E274 PolarHBondContact O-N 3.22Å
272E41.1Very low62.3Low205 Ų20570.3 Ų70.396%0.95838%0.381SS*.THydrogen-bonded Turntrans-51.9109.7-178.7-161.7172.6-161.300110
273G53.8Low63.9Low85 Ų8568.8 Ų68.888%0.87638%0.379SS*.THydrogen-bonded Turntrans108-8.4-179.900000117K271K271-G273 PolarHBondContact O-N 2.94Å
274E62.6Low65.6Low127 Ų12765.9 Ų65.959%0.59337%0.366SS*.PPolyproline II helixtrans-92140.9177.7-71.6178.6-179.200112.4K271 Q276K271-E274 HydrophobicContact CB-CG 4.44Å; K271-E274 PolarHBondContact O-N 3.22Å; E274-Q276 PolarHBondContact O-N 3.5Å
275A66.9Low67.2Low38 Ų3860 Ų6031%0.31435%0.345SS..PPolyproline II helixtrans-65.7124.4176.200000110.2R242 Y277R242-A275 HydrophobicContact CG-CB 4.27Å; A275-Y277 HydrophobicContact CB-CE2 3.92Å; A275-Y277 WeakPolarHBondContact O-CD2 3.29Å; A275-Y277 VanDerWaalsContact O-CE2 3.29Å; A275-Y277 WeakPolarHBondContact O-CE2 3.47Å
276Q77.4Confident68.7Low36 Ų3659.3 Ų59.317%0.16834%0.341CS..PPolyproline II helixtrans-73134175.7-177.3172.8-0.800109.6C243 F263 V270 E274C243-Q276 HydrophobicContact CB-CB 4.2Å; C243-Q276 HydrophobicContact CB-CG 4.24Å; C243-Q276 PolarHBondContact N-O 3.49Å; F263-Q276 PolarHBondContact O-NE2 3.34Å; V270-Q276 HydrophobicContact CG2-CB 4.42Å; V270-Q276 HydrophobicContact CG2-CG 4.38Å; E274-Q276 PolarHBondContact O-N 3.5Å
277Y80.4Confident70.1Confident57 Ų5762 Ų6222%0.22435%0.35CS..EExtended strand (participates in β ladder)trans-117.1142.4174.9-67.5-90.4000111.1H188 R240 M241 R242 A275H188-Y277 HydrophobicContact CB-CD1 3.98Å; H188-Y277 HydrophobicContact CB-CE1 3.92Å; H188-Y277 AromaticContact CD2-CD2 3.89Å; H188-Y277 AromaticContact CD2-CE2 3.78Å; H188-Y277 AromaticContact CD2-CZ 3.9Å; R240-Y277 HydrophobicContact CB-CD1 4.42Å; M241-Y277 CarbonylContact O-C 3.54Å; M241-Y277 VanDerWaalsContact O-CA 3.32Å; M241-Y277 WeakPolarHBondContact O-CA 3.44Å; R242-Y277 HydrophobicContact CB-CD1 4.29Å; R242-Y277 HydrophobicContact CB-CE1 3.99Å; A275-Y277 HydrophobicContact CB-CE2 3.92Å; A275-Y277 WeakPolarHBondContact O-CD2 3.29Å; A275-Y277 VanDerWaalsContact O-CE2 3.29Å; A275-Y277 WeakPolarHBondContact O-CE2 3.47Å
278A81.6Confident71.2Confident6 Ų658.1 Ų58.15%0.0533%0.334CS..EExtended strand (participates in β ladder)trans-122.5147.6172.800000111.5R240 M241 C243 V280 L317R240-A278 CarbonylContact C-O 3.53Å; R240-A278 WeakPolarHBondContact CA-O 3.49Å; M241-A278 PolarHBondContact N-O 2.9Å; M241-A278 PolarHBondContact O-N 3.46Å; C243-A278 WeakPolarHBondContact SG-CB 3.37Å; A278-V280 PolarHBondContact O-N 3.39Å; A278-L317 HydrophobicContact CB-CD1 3.64Å
279V84.1Confident72.1Confident20 Ų2058.7 Ų58.712%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-81119.5-179.3-1780000109.6I238 R240 Q318 T320I238-V279 HydrophobicContact CG2-CG1 3.37Å; R240-V279 HydrophobicContact CG-CG2 4.22Å; V279-Q318 HydrophobicContact CG1-CB 4.26Å; V279-Q318 PolarHBondContact O-N 3.47Å; V279-T320 HydrophobicContact CB-CG2 4.02Å; V279-T320 HydrophobicContact CG2-CG2 3.92Å
280V86.8Confident72.6Confident0 Ų055.5 Ų55.50%030%0.3CS..EExtended strand (participates in β ladder)trans-119.7126-179.2-176.50000109.6F149 L171 C239 M241 A278 G315 R316 L317F149-V280 HydrophobicContact CE1-CG1 4.19Å; L171-V280 HydrophobicContact CD2-CG2 4.02Å; C239-V280 PolarHBondContact N-O 2.86Å; C239-V280 PolarHBondContact O-N 3.45Å; M241-V280 HydrophobicContact CB-CG2 3.93Å; M241-V280 HydrophobicContact CG-CB 4.16Å; M241-V280 HydrophobicContact CG-CG2 4.03Å; M241-V280 HydrophobicContact SD-CB 3.73Å; M241-V280 HydrophobicContact SD-CG1 3.81Å; M241-V280 HydrophobicContact SD-CG2 3.74Å; A278-V280 PolarHBondContact O-N 3.39Å; V280-G315 VanDerWaalsContact CG1-CA 3.49Å; V280-R316 WeakPolarHBondContact CA-O 3.44Å; V280-L317 HydrophobicContact CG2-CD1 4.4Å
281H87.1Confident72.6Confident59 Ų5952.9 Ų52.927%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-88.8112170.6-176.6-131.1000109.4S236 F237 I238 T283 R316S236-H281 PolarHBondContact OG-CE1 2.87Å; S236-H281 PolarHBondContact OG-NE2 2.95Å; F237-H281 PolarHBondContact O-CD2 3.16Å; I238-H281 HydrophobicContact CG1-CB 4.4Å; H281-T283 WeakPolarHBondContact CE1-CG2 3.34Å; H281-R316 PolarHBondContact N-O 3.14Å; H281-R316 PolarHBondContact O-N 3.3Å
282C88.8Confident72.2Confident0 Ų051.9 Ų51.90%030%0.303CS..EExtended strand (participates in β ladder)trans-98119.1179.9-63.40000109.7F151 S236 F237 I314F151-C282 HydrophobicContact CZ-CB 4.21Å; S236-C282 CarbonylContact C-O 3.39Å; S236-C282 VanDerWaalsContact CA-O 3.31Å; S236-C282 WeakPolarHBondContact CA-O 3.26Å; F237-C282 HydrophobicContact CD1-CB 4.34Å; F237-C282 HydrophobicContact CD2-CB 3.94Å; F237-C282 HydrophobicContact CE1-CB 3.92Å; F237-C282 HydrophobicContact CE2-CB 3.46Å; F237-C282 VanDerWaalsContact CE2-CB 3.46Å; F237-C282 HydrophobicContact CG-CB 4.35Å; F237-C282 HydrophobicContact CZ-CB 3.45Å; F237-C282 VanDerWaalsContact CZ-CB 3.45Å; F237-C282 PolarHBondContact N-O 3.06Å; F237-C282 PolarHBondContact O-N 3.28Å; C282-I314 WeakPolarHBondContact CA-O 2.89Å
283T87.1Confident72.4Confident30 Ų3045.8 Ų45.818%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-121.2126.3175.956.60000109.6S236 H281 A313 I314S236-T283 WeakPolarHBondContact OG-CG2 3.33Å; H281-T283 WeakPolarHBondContact CE1-CG2 3.34Å; T283-A313 CarbonylContact O-C 3.56Å; T283-A313 WeakPolarHBondContact O-CA 3.37Å; T283-I314 PolarHBondContact N-O 3.34Å; T283-I314 PolarHBondContact O-N 2.56Å
284G86.4Confident71.8Confident1 Ų144 Ų441%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-161.9-173-174.300000114.8R234 R235 V312R234-G284 CarbonylContact C-O 3.56Å; R234-G284 WeakPolarHBondContact CA-O 3.49Å; R235-G284 PolarHBondContact N-O 3.5Å; R235-G284 PolarHBondContact O-N 2.89Å; G284-V312 CarbonylContact C-O 3.49Å; G284-V312 WeakPolarHBondContact CA-O 3.42Å
285Y83Confident70.7Confident53 Ų5344.5 Ų44.521%0.20828%0.276CS..EExtended strand (participates in β ladder)trans-135.7143.5179.2-59.9-89.4000110.5S233 R234 V312 L375S233-Y285 WeakPolarHBondContact O-CA 3.21Å; R234-Y285 HydrophobicContact CB-CD1 3.87Å; R234-Y285 HydrophobicContact CB-CE1 3.55Å; R234-Y285 HydrophobicContact CG-CD1 4.2Å; R234-Y285 HydrophobicContact CG-CE1 3.64Å; Y285-V312 PolarHBondContact N-O 3.05Å; Y285-V312 PolarHBondContact O-N 2.94Å; Y285-L375 HydrophobicContact CD1-CD2 4.04Å; Y285-L375 HydrophobicContact CD2-CD2 4.27Å; Y285-L375 HydrophobicContact CE1-CD2 3.51Å; Y285-L375 HydrophobicContact CE1-CG 4.36Å; Y285-L375 HydrophobicContact CE2-CD2 3.78Å; Y285-L375 HydrophobicContact CE2-CG 4.48Å; Y285-L375 HydrophobicContact CG-CD2 4.39Å
286I83.9Confident69.9Low1 Ų147.8 Ų47.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-81.3124.5172.4-57.5-64000108.8T201 C230 G232 S233 R235 Y309 C310 L311T201-I286 HydrophobicContact CG2-CG2 4.1Å; C230-I286 WeakPolarHBondContact O-CB 3.44Å; C230-I286 WeakPolarHBondContact O-CG2 3.04Å; G232-I286 WeakPolarHBondContact CA-O 3.38Å; G232-I286 PolarHBondContact N-O 2.89Å; S233-I286 PolarHBondContact O-N 2.72Å; S233-I286 VanDerWaalsContact O-N 3.09Å; R235-I286 HydrophobicContact CG-CD1 4.21Å; R235-I286 HydrophobicContact CG-CG1 3.97Å; I286-Y309 HydrophobicContact CG2-CG 4.47Å; I286-C310 CarbonylContact C-O 3.45Å; I286-C310 WeakPolarHBondContact CA-O 3.34Å; I286-L311 HydrophobicContact CD1-CB 3.78Å; I286-L311 HydrophobicContact CD1-CD1 3.74Å; I286-L311 HydrophobicContact CD1-CG 4.34Å
287K79.4Confident68.2Low66 Ų6651.2 Ų51.229%0.28731%0.313SS..EExtended strand (participates in β ladder)trans-125.1155.9177.1-165.4162-177.5149.80110.1Y309 C310 V312 E379 L382K287-Y309 CarbonylContact O-C 3.58Å; K287-Y309 VanDerWaalsContact O-CA 3.26Å; K287-Y309 WeakPolarHBondContact O-CA 3.43Å; K287-C310 PolarHBondContact N-O 3.13Å; K287-C310 PolarHBondContact O-N 3.26Å; K287-V312 HydrophobicContact CB-CG2 4.42Å; K287-E379 IonicContact NZ-OE1 2.64Å; K287-E379 PolarHBondContact NZ-OE1 2.97Å; K287-L382 HydrophobicContact CD-CD1 3.87Å
288A73.1Confident66.4Low33 Ų3357.2 Ų57.227%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-74.2143.3175.600000111.8M231 K308 Y309M231-A288 HydrophobicContact CE-CB 3.88Å; A288-K308 CarbonylContact C-O 3.34Å; A288-K308 WeakPolarHBondContact CA-O 3.41Å; A288-K308 WeakPolarHBondContact CB-O 3.43Å; A288-Y309 HydrophobicContact CB-CD1 4.38Å
289W63.8Low64.8Low61 Ų6166 Ų6623%0.23138%0.383CS..SBendtrans-132.4140.1175.6-172-103.1000109I161 P291 S307 K308 C310 Q386I161-W289 HydrophobicContact CD1-CD2 4.39Å; I161-W289 HydrophobicContact CD1-CG 4.39Å; I161-W289 HydrophobicContact CG2-CH2 4.39Å; I161-W289 HydrophobicContact CG2-CZ2 4.02Å; W289-P291 HydrophobicContact CZ3-CG 4.48Å; W289-S307 CarbonylContact C-O 3.59Å; W289-K308 PolarHBondContact N-O 2.98Å; W289-K308 CarbonylContact O-C 3.56Å; W289-K308 VanDerWaalsContact O-CA 3.26Å; W289-K308 WeakPolarHBondContact O-CA 3.45Å; W289-C310 HydrophobicContact CB-CB 4.09Å; W289-Q386 HydrophobicContact CZ3-CG 4.21Å
290P55.7Low62.8Low59 Ų5971.7 Ų71.738%0.38341%0.413SS..SBendcis-65.3153.9-17.7-9.425.4000111.3M294P290-M294 HydrophobicContact CB-CB 4.1Å
291P52.4Low60.6Low35 Ų3575.4 Ų75.423%0.22744%0.444CS..  trans-60.4143.3170.2-11.324.7000110W289 G293 M294 Q386W289-P291 HydrophobicContact CZ3-CG 4.48Å; P291-G293 PolarHBondContact O-N 3.38Å; P291-M294 PolarHBondContact O-N 2.86Å; P291-Q386 HydrophobicContact CG-CG 4.34Å
292A40.9Very low58.3Low117 Ų11780.4 Ų80.497%0.96747%0.472SS*.THydrogen-bonded Turntrans-51.6115.1177.700000110.6
293G45Very low56Low77 Ų7786 Ų8679%0.79451%0.506SS*.THydrogen-bonded Turntrans1162.3-179.700000116.8P291P291-G293 PolarHBondContact O-N 3.38Å
294M41.9Very low53.7Low47 Ų4787 Ų8723%0.23252%0.523CS..  trans-103.3111.7173.7-125.185.9155.100111.1P290 P291 Q386 R390P290-M294 HydrophobicContact CB-CB 4.1Å; P291-M294 PolarHBondContact O-N 2.86Å; M294-Q386 HydrophobicContact CE-CB 4.23Å; M294-R390 HydrophobicContact CE-CG 3.95Å; M294-R390 PolarHBondContact SD-NH2 3.4Å
295T39.5Very low51.6Low138 Ų13896.5 Ų96.585%0.84757%0.567SS**PPolyproline II helixtrans-93.8116.5163.252.60000108.3
296I49.5Very low49.7Very low107 Ų10794.6 Ų94.655%0.54956%0.564SS.*PPolyproline II helixtrans-77.3140.1173.9-58.6178.7000107.9
297P40.9Very low48.3Very low109 Ų10996.4 Ų96.471%0.70858%0.576SS**PPolyproline II helixtrans-56.7137.8173.2-20.531.4000111.5E299P297-E299 PolarHBondContact O-N 3.35Å
298E44Very low47.8Very low182 Ų18299.9 Ų99.985%0.8559%0.591SS**THydrogen-bonded Turntrans-73.733.2-170.5-60.3-154.1136.500115.7
299E46.8Very low48.1Very low191 Ų191100.4 Ų100.489%0.89359%0.587SS**THydrogen-bonded Turntrans-94.6-8.9175.9-84.7-164.5112.600114.8P297P297-E299 PolarHBondContact O-N 3.35Å
300D43.7Very low49.1Very low139 Ų13997.6 Ų97.674%0.74358%0.576SS**SBendtrans-116.529.2174.5-82.5-46.1000112.6D302D300-D302 PolarHBondContact O-N 2.93Å
301A39.5Very low50.6Low79 Ų7994.9 Ų94.965%0.65356%0.558SS**THydrogen-bonded Turntrans-70.71.8-17300000115.5
302D38Very low52.2Low164 Ų16493.4 Ų93.488%0.87755%0.549SS*.THydrogen-bonded Turntrans-94.5-4.3180-146.635.3000113.8D300 G304D300-D302 PolarHBondContact O-N 2.93Å; D302-G304 PolarHBondContact O-N 2.95Å
303V42.1Very low54.5Low116 Ų11687.9 Ų87.970%0.70350%0.503SS*.SBendtrans-101.177.6171.7-169.10000108.9
304G37.8Very low56.5Low53 Ų5385.1 Ų85.155%0.54647%0.47SS..  trans-52.9148-167.500000116.4D302 G306D302-G304 PolarHBondContact O-N 2.95Å; G304-G306 WeakPolarHBondContact O-CA 3.25Å; G304-G306 PolarHBondContact O-N 3.45Å
305Q43.1Very low58.7Low200 Ų20082.9 Ų82.994%0.93546%0.459SS*.SBendtrans39.95.6146-68.3-173.2-23.200121.6
306G42.5Very low60.8Low13 Ų1381.6 Ų81.613%0.13444%0.438CS..  trans-126.842.6-154.500000114.3E156 G304E156-G306 VanDerWaalsContact CB-O 3.28Å; E156-G306 WeakPolarHBondContact CB-O 3.42Å; E156-G306 VanDerWaalsContact CD-C 3.41Å; E156-G306 VanDerWaalsContact CD-CA 3.41Å; E156-G306 WeakPolarHBondContact CG-O 3.26Å; E156-G306 WeakPolarHBondContact OE1-CA 3.43Å; E156-G306 WeakPolarHBondContact OE2-CA 3.35Å; G304-G306 WeakPolarHBondContact O-CA 3.25Å; G304-G306 PolarHBondContact O-N 3.45Å
307S54.4Low62.2Low38 Ų3877.4 Ų77.427%0.26642%0.417SS..  trans-148.857.1166.4-73.50000110.7W289 Y309W289-S307 CarbonylContact C-O 3.59Å; S307-Y309 PolarHBondContact O-N 3.15Å
308K68.3Low63.8Low140 Ų14075.7 Ų75.761%0.60940%0.4SS*.SBendtrans-65.6-16.4175.7-67.3-178.7-176.2175.50112.8A288 W289A288-K308 CarbonylContact C-O 3.34Å; A288-K308 WeakPolarHBondContact CA-O 3.41Å; A288-K308 WeakPolarHBondContact CB-O 3.43Å; W289-K308 PolarHBondContact N-O 2.98Å; W289-K308 CarbonylContact O-C 3.56Å; W289-K308 VanDerWaalsContact O-CA 3.26Å; W289-K308 WeakPolarHBondContact O-CA 3.45Å
309Y79.9Confident64.6Low44 Ų4471.8 Ų71.817%0.17339%0.388CS..EExtended strand (participates in β ladder)trans-138.3142.3-175.3-51.4-69.9000111.9A155 M231 I286 K287 A288 S307A155-Y309 WeakPolarHBondContact CB-O 3.29Å; A155-Y309 PolarHBondContact N-O 3.29Å; M231-Y309 HydrophobicContact CG-CD1 4.19Å; M231-Y309 HydrophobicContact CG-CE1 3.56Å; M231-Y309 HydrophobicContact SD-CE1 4.03Å; I286-Y309 HydrophobicContact CG2-CG 4.47Å; K287-Y309 CarbonylContact O-C 3.58Å; K287-Y309 VanDerWaalsContact O-CA 3.26Å; K287-Y309 WeakPolarHBondContact O-CA 3.43Å; A288-Y309 HydrophobicContact CB-CD1 4.38Å; S307-Y309 PolarHBondContact O-N 3.15Å
310C86.2Confident64.7Low2 Ų264.3 Ų64.31%0.01436%0.355CS..EExtended strand (participates in β ladder)trans-125.1145.6170.863.50000110.1V152 V153 I161 I286 K287 W289V152-C310 HydrophobicContact CG1-CB 3.96Å; V153-C310 CarbonylContact O-C 3.5Å; V153-C310 WeakPolarHBondContact O-CA 3.47Å; V153-C310 VanDerWaalsContact O-CB 3.25Å; V153-C310 WeakPolarHBondContact O-CB 3.44Å; I161-C310 HydrophobicContact CD1-CB 4.3Å; I286-C310 CarbonylContact C-O 3.45Å; I286-C310 WeakPolarHBondContact CA-O 3.34Å; K287-C310 PolarHBondContact N-O 3.13Å; K287-C310 PolarHBondContact O-N 3.26Å; W289-C310 HydrophobicContact CB-CB 4.09Å
311L86.4Confident64.5Low2 Ų263.3 Ų63.31%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-88.3129165.4172.668.9000107.8V152 V153 L199 R235 F237 I286 A313V152-L311 WeakPolarHBondContact CA-O 2.75Å; V153-L311 HydrophobicContact CG2-CB 3.79Å; V153-L311 HydrophobicContact CG2-CD2 4.26Å; V153-L311 HydrophobicContact CG2-CG 4.44Å; V153-L311 PolarHBondContact N-O 2.99Å; V153-L311 PolarHBondContact O-N 3.48Å; L199-L311 HydrophobicContact CD2-CB 3.68Å; L199-L311 HydrophobicContact CD2-CD2 3.57Å; L199-L311 HydrophobicContact CD2-CG 4.25Å; R235-L311 HydrophobicContact CB-CD1 4.07Å; R235-L311 HydrophobicContact CG-CD1 4.38Å; F237-L311 HydrophobicContact CE1-CD2 3.92Å; F237-L311 HydrophobicContact CZ-CD2 4.26Å; I286-L311 HydrophobicContact CD1-CB 3.78Å; I286-L311 HydrophobicContact CD1-CD1 3.74Å; I286-L311 HydrophobicContact CD1-CG 4.34Å; L311-A313 HydrophobicContact CD1-CB 4.36Å; L311-A313 HydrophobicContact CD2-CB 4.16Å; L311-A313 HydrophobicContact CG-CB 4.06Å
312V86.8Confident64.4Low4 Ų462.6 Ų62.62%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-113.8115.5170.8-156.70000108.2L150 V152 G284 Y285 K287 W378 L382L150-V312 HydrophobicContact CD1-CG1 4.29Å; V152-V312 HydrophobicContact CG1-CG2 4.35Å; V152-V312 HydrophobicContact CG2-CG1 3.67Å; V152-V312 HydrophobicContact CG2-CG2 4.49Å; G284-V312 CarbonylContact C-O 3.49Å; G284-V312 WeakPolarHBondContact CA-O 3.42Å; Y285-V312 PolarHBondContact N-O 3.05Å; Y285-V312 PolarHBondContact O-N 2.94Å; K287-V312 HydrophobicContact CB-CG2 4.42Å; V312-W378 HydrophobicContact CB-CH2 4.16Å; V312-W378 HydrophobicContact CB-CZ3 3.81Å; V312-W378 HydrophobicContact CG1-CE3 4.35Å; V312-W378 HydrophobicContact CG1-CH2 3.7Å; V312-W378 HydrophobicContact CG1-CZ3 3.25Å; V312-L382 HydrophobicContact CB-CD1 4.17Å; V312-L382 HydrophobicContact CB-CD2 4.17Å; V312-L382 HydrophobicContact CB-CG 4.45Å; V312-L382 HydrophobicContact CG1-CD1 4.24Å; V312-L382 HydrophobicContact CG1-CD2 3.85Å; V312-L382 HydrophobicContact CG1-CG 4.06Å; V312-L382 HydrophobicContact CG2-CD1 3.92Å; V312-L382 HydrophobicContact CG2-CD2 3.46Å; V312-L382 VanDerWaalsContact CG2-CD2 3.46Å; V312-L382 HydrophobicContact CG2-CG 4.14Å
313A87.6Confident64.2Low0 Ų060 Ų600%034%0.342CS..EExtended strand (participates in β ladder)trans-138.6153.2-17000000112.3F151 T283 L311F151-A313 HydrophobicContact CE1-CB 4.03Å; F151-A313 HydrophobicContact CE2-CB 3.9Å; F151-A313 HydrophobicContact CZ-CB 3.63Å; F151-A313 PolarHBondContact N-O 2.85Å; F151-A313 PolarHBondContact O-N 3.24Å; F151-A313 VanDerWaalsContact O-O 3.11Å; T283-A313 CarbonylContact O-C 3.56Å; T283-A313 WeakPolarHBondContact O-CA 3.37Å; L311-A313 HydrophobicContact CD1-CB 4.36Å; L311-A313 HydrophobicContact CD2-CB 4.16Å; L311-A313 HydrophobicContact CG-CB 4.06Å
314I87.6Confident63.6Low20 Ų2059 Ų5910%0.10334%0.335CS..EExtended strand (participates in β ladder)trans-105.2121.8167.6-67.1160.3000107.2I142 F149 L150 C282 T283 R316 W378I142-I314 HydrophobicContact CG2-CD1 4.4Å; F149-I314 CarbonylContact O-C 3.41Å; F149-I314 WeakPolarHBondContact O-CA 3.49Å; L150-I314 HydrophobicContact CD1-CG1 3.82Å; C282-I314 WeakPolarHBondContact CA-O 2.89Å; T283-I314 PolarHBondContact N-O 3.34Å; T283-I314 PolarHBondContact O-N 2.56Å; I314-R316 HydrophobicContact CG2-CG 3.94Å; I314-W378 HydrophobicContact CB-CZ2 4.37Å; I314-W378 HydrophobicContact CD1-CH2 4.3Å; I314-W378 HydrophobicContact CD1-CZ2 3.41Å; I314-W378 VanDerWaalsContact CD1-CZ2 3.41Å; I314-W378 HydrophobicContact CG1-CH2 4.01Å; I314-W378 HydrophobicContact CG1-CZ2 3.47Å; I314-W378 VanDerWaalsContact CG1-CZ2 3.47Å
315G87.4Confident63.1Low0 Ų062.3 Ų62.30%035%0.349CS..EExtended strand (participates in β ladder)trans-89.7117.3169.600000109.7G148 F149 V280G148-G315 CarbonylContact C-O 3.49Å; G148-G315 WeakPolarHBondContact CA-O 3.44Å; F149-G315 WeakPolarHBondContact CD1-O 3.34Å; F149-G315 PolarHBondContact N-O 3.33Å; F149-G315 PolarHBondContact O-N 3.05Å; V280-G315 VanDerWaalsContact CG1-CA 3.49Å
316R85.1Confident62.4Low110 Ų11060 Ų6042%0.41534%0.34SS..EExtended strand (participates in β ladder)trans-105.8129.9175-61.7-17868.5164.2-2.9109.4A146 V280 H281 I314 Q318A146-R316 VanDerWaalsContact CA-NH2 3.32Å; A146-R316 HydrophobicContact CB-CG 4.37Å; A146-R316 PolarHBondContact O-NE 3.18Å; A146-R316 PolarHBondContact O-NH2 2.95Å; V280-R316 WeakPolarHBondContact CA-O 3.44Å; H281-R316 PolarHBondContact N-O 3.14Å; H281-R316 PolarHBondContact O-N 3.3Å; I314-R316 HydrophobicContact CG2-CG 3.94Å; R316-Q318 PolarHBondContact O-N 3.01Å
317L79.3Confident61.8Low20 Ų2066.9 Ų66.911%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-67.8116.4175.8-173.668.6000108.7D147 V170 R262 A278 V280 V319D147-L317 PolarHBondContact O-N 2.61Å; V170-L317 HydrophobicContact CG1-CB 4.08Å; R262-L317 HydrophobicContact CB-CD2 4.16Å; A278-L317 HydrophobicContact CB-CD1 3.64Å; V280-L317 HydrophobicContact CG2-CD1 4.4Å; L317-V319 PolarHBondContact O-N 3.33Å
318Q73.7Confident60.5Low73 Ų7376.7 Ų76.734%0.34141%0.405SS..  trans-81.3118.5174.8-169.4171.4-13.400107.7V279 R316 T320V279-Q318 HydrophobicContact CG1-CB 4.26Å; V279-Q318 PolarHBondContact O-N 3.47Å; R316-Q318 PolarHBondContact O-N 3.01Å; Q318-T320 VanDerWaalsContact C-N 3.29Å; Q318-T320 PolarHBondContact O-N 3.01Å
319V60.2Low58.7Low99 Ų9979.1 Ų79.160%0.642%0.418SS*.  trans-70.695.4170-175.20000106.6L317 S321L317-V319 PolarHBondContact O-N 3.33Å; V319-S321 PolarHBondContact O-N 3.49Å
320T49.1Very low56.2Low35 Ų3581.8 Ų81.822%0.21544%0.444CS..  trans-67.4117.9167.6550000106.1V279 Q318 S322V279-T320 HydrophobicContact CB-CG2 4.02Å; V279-T320 HydrophobicContact CG2-CG2 3.92Å; Q318-T320 VanDerWaalsContact C-N 3.29Å; Q318-T320 PolarHBondContact O-N 3.01Å; T320-S322 PolarHBondContact O-N 3.3Å
321S39.9Very low53.4Low118 Ų11887.3 Ų87.383%0.82548%0.482SS*.  trans-69.573.2166.454.10000108V319V319-S321 PolarHBondContact O-N 3.49Å
322S37.1Very low50.6Low64 Ų6492.2 Ų92.245%0.44852%0.523SS..  trans-72127.8164.658.60000107.1T320 V324T320-S322 PolarHBondContact O-N 3.3Å; S322-V324 PolarHBondContact O-N 3.44Å
323P34.5Very low48Very low110 Ų110100.5 Ų100.571%0.71457%0.566SS**  trans-63.413317427.5-30.5000107.2C325P323-C325 PolarHBondContact O-N 2.94Å
324V29.4Very low45.1Very low93 Ų93106.2 Ų106.256%0.56461%0.606SS**  trans-56.6103.6173-177.30000107.6S322 M326S322-V324 PolarHBondContact O-N 3.44Å; V324-M326 HydrophobicContact CG1-CG 3.56Å; V324-M326 PolarHBondContact O-N 3.44Å
325C27.6Very low42.2Very low124 Ų124108.3 Ų108.384%0.83863%0.633SS**  trans-69.390163-70.60000106.7P323P323-C325 PolarHBondContact O-N 2.94Å
326M28.4Very low39.3Very low151 Ų151114.6 Ų114.674%0.74467%0.671SS**  trans-80.4136.4156.3-62.5-144.487.900107.7V324 R328V324-M326 HydrophobicContact CG1-CG 3.56Å; V324-M326 PolarHBondContact O-N 3.44Å; M326-R328 PolarHBondContact O-N 2.95Å
327D30Very low37Very low158 Ų158114 Ų11485%0.84569%0.69SS**  trans-44.9122.6-178-60.6-61.9000113.3
328R27.1Very low34.5Very low244 Ų244119.7 Ų119.792%0.92172%0.72SS**  trans-13382.8150.9-90.417787.4161.22.7107.9M326 S330M326-R328 PolarHBondContact O-N 2.95Å; R328-S330 PolarHBondContact O-N 3.41Å
329E29.1Very low32.3Very low190 Ų190122 Ų12289%0.88874%0.741SS**  trans-67.3106.9154.9-173.1171.7-164.600107.8
330S26.9Very low30.7Very low101 Ų101124.4 Ų124.471%0.70675%0.75SS**  trans170.8123.2134.634.50000112R328R328-S330 PolarHBondContact O-N 3.41Å
331S28.3Very low29.6Very low118 Ų118128 Ų12883%0.82578%0.777SS**  trans60.9104.9152.761.10000119.6
332A27.5Very low29.1Very low104 Ų104127.7 Ų127.786%0.8677%0.769SS**  170.8135.6100.900000111.5
333L31.7Very low28.8Very low178 Ų178132.2 Ų132.293%0.93278%0.783SS**  trans-62.5145174.5-68.5137.2000112.5
334S26.4Very low28.7Very low120 Ų120133.8 Ų133.884%0.83978%0.781SS**  158.8126.3127.4177.80000109.7
335G27.5Very low28.6Very low64 Ų64135.5 Ų135.566%0.6679%0.787SS**  trans-67156-176.800000114.4
336T26.3Very low28.7Very low132 Ų132134.1 Ų134.181%0.8178%0.779SS**  -167.6131.9125.539.70000106.8N338T336-N338 PolarHBondContact O-N 3.49Å
337A36.8Very low28.9Very low98 Ų98132.5 Ų132.581%0.8178%0.777SS**  trans-53.5128.6171.600000110.6
338N26.4Very low29.1Very low139 Ų139129.6 Ų129.674%0.74376%0.761SS**  trans-134.8126.4158.4-88.2-29.8000107.7T336 I340T336-N338 PolarHBondContact O-N 3.49Å; N338-I340 PolarHBondContact O-N 3.14Å
339P29Very low29.2Very low121 Ų121122.6 Ų122.679%0.78675%0.749SS**  trans-71.1125.6176.229.2-30.8000108.9S341P339-S341 VanDerWaalsContact C-N 3.34Å; P339-S341 PolarHBondContact O-N 2.92Å
340I25.3Very low29.4Very low151 Ų151118.9 Ų118.977%0.77474%0.735SS**  trans-73.391.5173.4-66172.2000107.2N338 V342N338-I340 PolarHBondContact O-N 3.14Å; I340-V342 VanDerWaalsContact C-N 3.29Å; I340-V342 HydrophobicContact CG2-CB 4.34Å; I340-V342 HydrophobicContact CG2-CG2 3.16Å; I340-V342 PolarHBondContact O-N 2.8Å; I340-V342 VanDerWaalsContact O-N 3.13Å
341S27Very low29.6Very low111 Ų111123.4 Ų123.478%0.77674%0.736SS**  trans-74.684.5161.253.80000108.1P339 Q343P339-S341 VanDerWaalsContact C-N 3.34Å; P339-S341 PolarHBondContact O-N 2.92Å; S341-Q343 PolarHBondContact O-N 2.76Å
342V29.8Very low29.7Very low111 Ų111124 Ų12467%0.67373%0.73SS**  trans-74.794.6171.3173.70000108.7I340 Q344I340-V342 VanDerWaalsContact C-N 3.29Å; I340-V342 HydrophobicContact CG2-CB 4.34Å; I340-V342 HydrophobicContact CG2-CG2 3.16Å; I340-V342 PolarHBondContact O-N 2.8Å; I340-V342 VanDerWaalsContact O-N 3.13Å; V342-Q344 PolarHBondContact O-N 3.49Å
343Q29Very low29.6Very low159 Ų159130 Ų13074%0.74373%0.731SS**  trans4.687.7139.7-143.2133.4-3.700114.5S341 D345S341-Q343 PolarHBondContact O-N 2.76Å; Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 2.89Å
344Q32.6Very low29.4Very low143 Ų143128.9 Ų128.967%0.66873%0.726SS**  trans-95.730.3-179.6-157.7169.8700111.2V342 I348V342-Q344 PolarHBondContact O-N 3.49Å; Q344-I348 HydrophobicContact CG-CD1 4.46Å; Q344-I348 WeakPolarHBondContact O-CD1 3.43Å
345D28.9Very low29.7Very low129 Ų129130.6 Ų130.669%0.6972%0.721SS**  trans-118.2-7.7-167.9-69.7-33.1000115.3Q343Q343-D345 VanDerWaalsContact C-N 3.31Å; Q343-D345 PolarHBondContact O-N 2.89Å
346S29.7Very low30.5Very low94 Ų94131.9 Ų131.966%0.65772%0.717SS**SBendtrans-100.7-2.8-169.3-53.90000116.2
347V31.3Very low30.6Very low117 Ų117134.7 Ų134.771%0.70972%0.721SS**SBendtrans-120.6-12.7178.5-178.10000112.9S349V347-S349 VanDerWaalsContact C-N 3.34Å
348I34.1Very low30.2Very low98 Ų98138 Ų13850%0.50372%0.724SS.*G310 helixtrans-76.3-24.3176.5-61.5177.8000111.4Q344 L350 W351Q344-I348 HydrophobicContact CG-CD1 4.46Å; Q344-I348 WeakPolarHBondContact O-CD1 3.43Å; I348-L350 PolarHBondContact O-N 3.47Å; I348-L350 VanDerWaalsContact O-N 3.08Å; I348-W351 PolarHBondContact O-N 3.37Å
349S29.4Very low30.4Very low96 Ų96137.1 Ų137.167%0.67173%0.726SS**G310 helixtrans-69.1-6.3-17455.90000116.2V347V347-S349 VanDerWaalsContact C-N 3.34Å
350L33.8Very low30.3Very low113 Ų113135.1 Ų135.159%0.59273%0.728SS**G310 helixtrans-94.2-11.7178.6-150.776000114I348I348-L350 PolarHBondContact O-N 3.47Å; I348-L350 VanDerWaalsContact O-N 3.08Å
351W31.2Very low30.6Very low195 Ų195139.8 Ų139.874%0.73974%0.735SS**THydrogen-bonded Turntrans-133.5-1.4-171.3-54.6105.1000115.5I348 W353I348-W351 PolarHBondContact O-N 3.37Å; W351-W353 PolarHBondContact O-N 2.89Å
352D28.8Very low30.9Very low130 Ų130139 Ų13970%0.69573%0.728SS**  trans-86.992.5174.1-14515.6000109.6
353W27Very low30.7Very low231 Ų231142.3 Ų142.388%0.87574%0.741SS**  trans-109.3104.1167.7-100.187000108.2W351W351-W353 PolarHBondContact O-N 2.89Å
354N27.1Very low30.8Very low155 Ų155143.7 Ų143.783%0.82975%0.745SS**  trans-132.1118.3160.8-162.738000108.3
355E31.7Very low30.7Very low156 Ų156145.2 Ų145.273%0.72976%0.756SS**  trans-67.4179.8-178.3-90.8179.4125.300114.2
356P45.2Very low30.8Very low91 Ų91146.5 Ų146.559%0.59176%0.758SS**  cis-134.6135-41.634.2-17.3000111.7
357H27.9Very low31Very low190 Ų190147.3 Ų147.388%0.8876%0.761SS**  trans-147.5123.2154.3-79-63000111.9
358L28.7Very low31.2Very low167 Ų167147.3 Ų147.387%0.87476%0.763SS**  trans89.8149.2156-66.8165.6000120.3
359P30.8Very low31.2Very low121 Ų121149 Ų14979%0.78677%0.773SS**  trans-100.6144.4-151.738.1-30.3000112.9
360G27.4Very low31.4Very low80 Ų80150.6 Ų150.683%0.82577%0.77SS**  trans166.8116.8171.700000112.3
361R32.2Very low31.5Very low248 Ų248150 Ų15094%0.93677%0.773SS**  trans-74.9174.7-172.1-114.2178.8-167.5-121.56113.1
362P32.6Very low31.6Very low95 Ų95144.1 Ų144.162%0.61776%0.761SS**  -116.9160-110.137.9-23.4000115.1
363L26Very low31.8Very low181 Ų181142.9 Ų142.995%0.94875%0.747SS**  trans-111.6112.5155.3-80169000109.1
364F30.7Very low32.3Very low188 Ų188136.4 Ų136.483%0.82573%0.73SS**  trans-70.3118.6174.2-106.3-104000109.9
365L30.1Very low32.9Very low174 Ų174132.5 Ų132.591%0.91171%0.708SS**  trans178.585141.9-107.7134.1000111.7
366Q30.9Very low33.2Very low157 Ų157125.5 Ų125.573%0.73468%0.677SS**  trans-164.4140.8156.4-131.1165.2-11.800111.1
367P34.9Very low33.1Very low110 Ų110122.8 Ų122.871%0.71466%0.656SS**  trans-75.6147.6176.330.3-32.8000111.2L369P367-L369 PolarHBondContact O-N 3.28Å
368P34.9Very low33.8Very low117 Ų117115.2 Ų115.276%0.7662%0.62SS**  trans-87.8107.3-175.534-29000109.7
369L33Very low34.4Very low133 Ų133111.8 Ų111.870%0.69660%0.599SS**  trans-113.3100.5158.4-78.8168.4000107.3P367 Y373P367-L369 PolarHBondContact O-N 3.28Å; L369-Y373 HydrophobicContact CD2-CD1 4.28Å
370Q34.1Very low34.9Very low131 Ų131108.2 Ų108.261%0.61258%0.576SS**  trans-65.1139.3-176.7-70.1-148.4-500111.7S372 Y373Q370-S372 PolarHBondContact O-N 3.21Å; Q370-S372 VanDerWaalsContact O-N 3.16Å; Q370-Y373 VanDerWaalsContact O-CB 3.26Å; Q370-Y373 WeakPolarHBondContact O-CB 3.38Å; Q370-Y373 PolarHBondContact O-N 3.43Å
371P36.1Very low35.7Very low101 Ų101105.3 Ų105.366%0.65654%0.542SS*.Hα-helixtrans-55.6-30.4177.6-26.934.2000114.6Y373 L374 L375P371-Y373 PolarHBondContact O-N 2.93Å; P371-L374 PolarHBondContact O-N 2.93Å; P371-L375 PolarHBondContact O-N 2.98Å; P371-L375 VanDerWaalsContact O-N 3.16Å
372S33.3Very low36.3Very low71 Ų7194.3 Ų94.350%0.49750%0.502SS..Hα-helixtrans-60.9-31.8174.753.70000112.9Q370 A376Q370-S372 PolarHBondContact O-N 3.21Å; Q370-S372 VanDerWaalsContact O-N 3.16Å; S372-A376 WeakPolarHBondContact O-CB 3.36Å; S372-A376 PolarHBondContact O-N 3.3Å
373Y34Very low36.6Very low103 Ų10395.9 Ų95.940%0.40450%0.501SS..Hα-helixtrans-75.4-32.9-180-164.7-111.6000112.5L369 Q370 P371 K377L369-Y373 HydrophobicContact CD2-CD1 4.28Å; Q370-Y373 VanDerWaalsContact O-CB 3.26Å; Q370-Y373 WeakPolarHBondContact O-CB 3.38Å; Q370-Y373 PolarHBondContact O-N 3.43Å; P371-Y373 PolarHBondContact O-N 2.93Å; Y373-K377 HydrophobicContact CD1-CD 4Å; Y373-K377 HydrophobicContact CE1-CD 3.85Å; Y373-K377 WeakPolarHBondContact O-CB 3.36Å; Y373-K377 VanDerWaalsContact O-CG 3.3Å; Y373-K377 WeakPolarHBondContact O-CG 3.48Å; Y373-K377 PolarHBondContact O-N 2.93Å; Y373-K377 VanDerWaalsContact O-N 3.11Å
374L37.2Very low37Very low96 Ų9689 Ų8950%0.50347%0.468SS..Hα-helixtrans-72-41.6173.8-76.3168.9000111.4P371 K377 W378P371-L374 PolarHBondContact O-N 2.93Å; L374-K377 PolarHBondContact O-N 3.48Å; L374-W378 VanDerWaalsContact O-CB 3.25Å; L374-W378 WeakPolarHBondContact O-CB 3.44Å; L374-W378 PolarHBondContact O-N 2.96Å
375L39.5Very low37.4Very low72 Ų7280.9 Ų80.938%0.37743%0.434SS..Hα-helixtrans-60.8-46.1174.8-93.7162000112.5Y285 P371 W378 E379Y285-L375 HydrophobicContact CD1-CD2 4.04Å; Y285-L375 HydrophobicContact CD2-CD2 4.27Å; Y285-L375 HydrophobicContact CE1-CD2 3.51Å; Y285-L375 HydrophobicContact CE1-CG 4.36Å; Y285-L375 HydrophobicContact CE2-CD2 3.78Å; Y285-L375 HydrophobicContact CE2-CG 4.48Å; Y285-L375 HydrophobicContact CG-CD2 4.39Å; P371-L375 PolarHBondContact O-N 2.98Å; P371-L375 VanDerWaalsContact O-N 3.16Å; L375-W378 WeakPolarHBondContact O-CB 3.35Å; L375-W378 PolarHBondContact O-N 2.82Å; L375-E379 PolarHBondContact O-N 2.72Å; L375-E379 VanDerWaalsContact O-N 3.13Å
376A38.5Very low37.7Very low9 Ų973.9 Ų73.97%0.07440%0.397CS..Hα-helixtrans-62.1-42.2175.100000113.4Y128 S372 W378 E379 C380Y128-A376 HydrophobicContact CD1-CB 3.19Å; Y128-A376 HydrophobicContact CE1-CB 3.39Å; Y128-A376 HydrophobicContact CG-CB 3.88Å; S372-A376 WeakPolarHBondContact O-CB 3.36Å; S372-A376 PolarHBondContact O-N 3.3Å; A376-W378 VanDerWaalsContact C-N 3.28Å; A376-W378 PolarHBondContact O-N 3.36Å; A376-E379 PolarHBondContact O-N 3Å; A376-C380 PolarHBondContact O-N 3.38Å
377K43.3Very low37.7Very low34 Ų3472.1 Ų72.115%0.14839%0.389CS..Hα-helixtrans-66.9-32.3174.9-82.6178.1165.5-172.30112.4P130 L138 Y373 L374 C380 L381P130-K377 HydrophobicContact CG-CG 4.3Å; L138-K377 HydrophobicContact CD1-CD 4.38Å; L138-K377 HydrophobicContact CD2-CB 4.49Å; L138-K377 HydrophobicContact CD2-CD 4.32Å; L138-K377 HydrophobicContact CD2-CG 4.4Å; Y373-K377 HydrophobicContact CD1-CD 4Å; Y373-K377 HydrophobicContact CE1-CD 3.85Å; Y373-K377 WeakPolarHBondContact O-CB 3.36Å; Y373-K377 VanDerWaalsContact O-CG 3.3Å; Y373-K377 WeakPolarHBondContact O-CG 3.48Å; Y373-K377 PolarHBondContact O-N 2.93Å; Y373-K377 VanDerWaalsContact O-N 3.11Å; L374-K377 PolarHBondContact O-N 3.48Å; K377-C380 WeakPolarHBondContact O-CB 3.31Å; K377-C380 PolarHBondContact O-N 2.98Å; K377-L381 PolarHBondContact O-N 2.76Å
378W42.2Very low37.5Very low32 Ų3271.1 Ų71.112%0.12138%0.377CS..Hα-helixtrans-63.2-42.9175.6-113.6108.6000112.4L150 V312 I314 L374 L375 A376 C380 L381 L382L150-W378 HydrophobicContact CD1-CH2 3.2Å; L150-W378 HydrophobicContact CD1-CZ2 4.05Å; L150-W378 HydrophobicContact CD1-CZ3 3.54Å; V312-W378 HydrophobicContact CB-CH2 4.16Å; V312-W378 HydrophobicContact CB-CZ3 3.81Å; V312-W378 HydrophobicContact CG1-CE3 4.35Å; V312-W378 HydrophobicContact CG1-CH2 3.7Å; V312-W378 HydrophobicContact CG1-CZ3 3.25Å; I314-W378 HydrophobicContact CB-CZ2 4.37Å; I314-W378 HydrophobicContact CD1-CH2 4.3Å; I314-W378 HydrophobicContact CD1-CZ2 3.41Å; I314-W378 VanDerWaalsContact CD1-CZ2 3.41Å; I314-W378 HydrophobicContact CG1-CH2 4.01Å; I314-W378 HydrophobicContact CG1-CZ2 3.47Å; I314-W378 VanDerWaalsContact CG1-CZ2 3.47Å; L374-W378 VanDerWaalsContact O-CB 3.25Å; L374-W378 WeakPolarHBondContact O-CB 3.44Å; L374-W378 PolarHBondContact O-N 2.96Å; L375-W378 WeakPolarHBondContact O-CB 3.35Å; L375-W378 PolarHBondContact O-N 2.82Å; A376-W378 VanDerWaalsContact C-N 3.28Å; A376-W378 PolarHBondContact O-N 3.36Å; W378-C380 PolarHBondContact O-N 3.45Å; W378-L381 PolarHBondContact O-N 3.2Å; W378-L382 HydrophobicContact CE3-CD1 4.1Å; W378-L382 HydrophobicContact CZ3-CD1 4.35Å; W378-L382 PolarHBondContact O-N 3.27Å
379E41.8Very low37.4Very low95 Ų9568.8 Ų68.844%0.44436%0.364SS..Hα-helixtrans-65-30176.2-63.1-151.6110.700112.9K287 L375 A376 L382 Q383K287-E379 IonicContact NZ-OE1 2.64Å; K287-E379 PolarHBondContact NZ-OE1 2.97Å; L375-E379 PolarHBondContact O-N 2.72Å; L375-E379 VanDerWaalsContact O-N 3.13Å; A376-E379 PolarHBondContact O-N 3Å; E379-L382 WeakPolarHBondContact O-CB 3.48Å; E379-L382 PolarHBondContact O-N 2.88Å; E379-Q383 PolarHBondContact O-N 3.46Å
380C40.8Very low37.3Very low45 Ų4570.1 Ų70.130%0.30436%0.359SS..Hα-helixtrans-68.3-46.2176.5-166.70000112.4A376 K377 W378 L382 Q383 S384A376-C380 PolarHBondContact O-N 3.38Å; K377-C380 WeakPolarHBondContact O-CB 3.31Å; K377-C380 PolarHBondContact O-N 2.98Å; W378-C380 PolarHBondContact O-N 3.45Å; C380-L382 PolarHBondContact O-N 3.45Å; C380-Q383 PolarHBondContact O-N 2.96Å; C380-Q383 VanDerWaalsContact O-N 3.08Å; C380-S384 PolarHBondContact O-N 2.94Å
381L44.7Very low37.2Very low19 Ų1969.7 Ų69.710%0.09937%0.366CS..Hα-helixtrans-57.8-38.1175-90152.4000112I142 L150 K377 W378 Q383 S384 C385I142-L381 HydrophobicContact CD1-CD1 4.18Å; L150-L381 HydrophobicContact CD2-CD2 4.37Å; K377-L381 PolarHBondContact O-N 2.76Å; W378-L381 PolarHBondContact O-N 3.2Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-Q383 PolarHBondContact O-N 3.46Å; L381-S384 PolarHBondContact O-N 3.49Å; L381-C385 PolarHBondContact O-N 2.92Å; L381-C385 PolarHBondContact O-SG 2.91Å
382L44.4Very low36.9Very low18 Ų1877.8 Ų77.89%0.09438%0.383CS..Hα-helixtrans-64.6-35.1176.7-94.4156.2000113.4K287 V312 W378 E379 C380 Q386K287-L382 HydrophobicContact CD-CD1 3.87Å; V312-L382 HydrophobicContact CB-CD1 4.17Å; V312-L382 HydrophobicContact CB-CD2 4.17Å; V312-L382 HydrophobicContact CB-CG 4.45Å; V312-L382 HydrophobicContact CG1-CD1 4.24Å; V312-L382 HydrophobicContact CG1-CD2 3.85Å; V312-L382 HydrophobicContact CG1-CG 4.06Å; V312-L382 HydrophobicContact CG2-CD1 3.92Å; V312-L382 HydrophobicContact CG2-CD2 3.46Å; V312-L382 VanDerWaalsContact CG2-CD2 3.46Å; V312-L382 HydrophobicContact CG2-CG 4.14Å; W378-L382 HydrophobicContact CE3-CD1 4.1Å; W378-L382 HydrophobicContact CZ3-CD1 4.35Å; W378-L382 PolarHBondContact O-N 3.27Å; E379-L382 WeakPolarHBondContact O-CB 3.48Å; E379-L382 PolarHBondContact O-N 2.88Å; C380-L382 PolarHBondContact O-N 3.45Å; L382-Q386 WeakPolarHBondContact O-CG 3.32Å; L382-Q386 PolarHBondContact O-N 3.25Å; L382-Q386 PolarHBondContact O-NE2 3Å
383Q38.8Very low37.1Very low127 Ų12778.2 Ų78.259%0.59338%0.377SS*.Hα-helixtrans-80-25.2-177.8-148.2149.3900112.2E379 C380 L381 Q386E379-Q383 PolarHBondContact O-N 3.46Å; C380-Q383 PolarHBondContact O-N 2.96Å; C380-Q383 VanDerWaalsContact O-N 3.08Å; L381-Q383 VanDerWaalsContact C-N 3.32Å; L381-Q383 PolarHBondContact O-N 3.46Å; Q383-Q386 WeakPolarHBondContact O-CB 3.37Å
384S34.5Very low37.2Very low36 Ų3676.8 Ų76.825%0.25238%0.376SS..Hα-helixtrans-84.4-33.2173.3-164.50000114.3E135 C380 L381 Q386 Q387 D388E135-S384 WeakPolarHBondContact OE1-CB 3.25Å; E135-S384 PolarHBondContact OE1-OG 3.44Å; E135-S384 WeakPolarHBondContact OE2-CB 3.46Å; E135-S384 PolarHBondContact OE2-OG 3.48Å; C380-S384 PolarHBondContact O-N 2.94Å; L381-S384 PolarHBondContact O-N 3.49Å; S384-Q386 PolarHBondContact O-N 3.43Å; S384-Q387 WeakPolarHBondContact O-CA 3.39Å; S384-Q387 WeakPolarHBondContact O-CB 3.07Å; S384-Q387 PolarHBondContact O-N 3.18Å; S384-D388 PolarHBondContact O-N 3.26Å
385C38Very low37.2Very low18 Ų1875.8 Ų75.812%0.12237%0.369CS..Hα-helixtrans-57.2-31.9168-66.60000111.4Y162 L381 Q387 S389Y162-C385 HydrophobicContact CD2-CB 4.44Å; Y162-C385 VanDerWaalsContact CE1-SG 3.53Å; Y162-C385 HydrophobicContact CE2-CB 4.41Å; Y162-C385 VanDerWaalsContact CZ-SG 3.57Å; L381-C385 PolarHBondContact O-N 2.92Å; L381-C385 PolarHBondContact O-SG 2.91Å; C385-Q387 VanDerWaalsContact C-N 3.35Å; C385-S389 WeakPolarHBondContact O-CB 3.39Å; C385-S389 PolarHBondContact O-N 2.75Å; C385-S389 VanDerWaalsContact O-N 3.16Å; C385-S389 PolarHBondContact O-OG 2.71Å
386Q35.9Very low37.1Very low27 Ų2776 Ų7613%0.12637%0.369CS..Hα-helixtrans-71.6-23.8172.5-76.3163.822.100114.3W289 P291 M294 L382 Q383 S384 S389W289-Q386 HydrophobicContact CZ3-CG 4.21Å; P291-Q386 HydrophobicContact CG-CG 4.34Å; M294-Q386 HydrophobicContact CE-CB 4.23Å; L382-Q386 WeakPolarHBondContact O-CG 3.32Å; L382-Q386 PolarHBondContact O-N 3.25Å; L382-Q386 PolarHBondContact O-NE2 3Å; Q383-Q386 WeakPolarHBondContact O-CB 3.37Å; S384-Q386 PolarHBondContact O-N 3.43Å; Q386-S389 PolarHBondContact O-OG 2.95Å
387Q32.9Very low37Very low121 Ų12180.2 Ų80.257%0.56539%0.387SS*.Hα-helixtrans-82-38.9177.7-141.988.930.600110.5S384 C385 R390S384-Q387 WeakPolarHBondContact O-CA 3.39Å; S384-Q387 WeakPolarHBondContact O-CB 3.07Å; S384-Q387 PolarHBondContact O-N 3.18Å; C385-Q387 VanDerWaalsContact C-N 3.35Å; Q387-R390 PolarHBondContact O-N 2.78Å
388D30.1Very low36.6Very low88 Ų8883.3 Ų83.347%0.47140%0.403SS..Hα-helixtrans-72.4-34.6178.6-155.78.4000111.9S384 R390 V391S384-D388 PolarHBondContact O-N 3.26Å; D388-R390 PolarHBondContact O-N 3.11Å; D388-V391 PolarHBondContact O-N 2.8Å
389S32.8Very low36.2Very low69 Ų6986.9 Ų86.948%0.48342%0.423SS..THydrogen-bonded Turntrans-71.4-10.1173.173.10000114.6C385 Q386C385-S389 WeakPolarHBondContact O-CB 3.39Å; C385-S389 PolarHBondContact O-N 2.75Å; C385-S389 VanDerWaalsContact O-N 3.16Å; C385-S389 PolarHBondContact O-OG 2.71Å; Q386-S389 PolarHBondContact O-OG 2.95Å
390R31.3Very low35.8Very low160 Ų16086.3 Ų86.360%0.60442%0.421SS*.THydrogen-bonded Turntrans-89.5-13.6173.5-86.5-173.1-171.5-179.96.1113.2M294 Q387 D388M294-R390 HydrophobicContact CE-CG 3.95Å; M294-R390 PolarHBondContact SD-NH2 3.4Å; Q387-R390 PolarHBondContact O-N 2.78Å; D388-R390 PolarHBondContact O-N 3.11Å
391V31.5Very low35.4Very low122 Ų12289.8 Ų89.874%0.73943%0.431SS*.  trans-101.7-5.1-173.2-1800000111.9D388D388-V391 PolarHBondContact O-N 2.8Å
392R29.3Very low34.5Very low272 Ų27296.2 Ų96.2100%1.02646%0.461SS*.  trans-107.90174.9-70.4-169.3-174.5-150.21.3112.4

Retrieved 392 of 392 residues in 59.2 ms (Link to these results)