A0A087WWR3_HUMAN Loading...

Hydroxysteroid 11-beta-dehydrogenase 1-like protein

Unidirectional NADP(+)-dependent cortisol dehydrogenase (in vitro).

AlphaFold DB , UniProt , Accession A0A087WWR3, Species HUMAN (Homo sapiens, Human), Gene HSD11B1L, Length 333 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
1M35.9Very low31.1Very low244 Ų244147.8 Ų147.8100%1.20284%0.843SS**  0120.80-80.3174.416800108
2A34.7Very low31.4Very low101 Ų101146.2 Ų146.284%0.83584%0.842SS**  trans41.2110.5167.800000118.1
3N25.9Very low31.4Very low146 Ų146153.7 Ų153.778%0.78185%0.848SS**  cis80.7119.735.8-136.417.4000116.7
4L29.6Very low31.2Very low152 Ų152158.1 Ų158.180%0.79686%0.855SS**  trans75.3131.3151.7-73.6152.2000122.2
5G28.2Very low31.2Very low71 Ų71160.2 Ų160.273%0.73285%0.853SS**  trans170.650.2162.700000117
6T31.9Very low30.9Very low132 Ų132165.3 Ų165.381%0.8186%0.857SS**  trans-71.2123.1173.8-29.20000110.9
7L31.6Very low30.9Very low165 Ų165167.7 Ų167.786%0.86486%0.859SS**  trans-104.6109.7174.2-130.792.8000110.5
8Q30Very low30.7Very low180 Ų180164.3 Ų164.384%0.84185%0.853SS**  trans-82.6131.3168.9-81.5175.1-33.500110.3
9L31Very low30.6Very low172 Ų172162.8 Ų162.890%0.90186%0.857SS**  trans-94.1118.6170.5-78.9158.8000109.7
10L31.7Very low30.5Very low156 Ų156163.1 Ų163.182%0.81786%0.858SS**  trans-106.1148.6168.4-87.8161.1000110
11P31.8Very low30.4Very low107 Ų107160.7 Ų160.770%0.69586%0.855SS**PPolyproline II helixtrans-84157.2-168.933.8-34.7000113.5
12P34.9Very low30.2Very low128 Ų128156.9 Ų156.983%0.83184%0.838SS**PPolyproline II helixtrans-80.2133.1-178.830.6-31.7000112.9
13R30.9Very low30.2Very low244 Ų244157.4 Ų157.492%0.92183%0.833SS**PPolyproline II helixtrans-74.7136.5172.8-76.7177.8171.3169.2-3111.8
14F28.3Very low30.4Very low215 Ų215157.3 Ų157.394%0.94383%0.833SS**PPolyproline II helixtrans-57.4127167.9-92.1-100.7000112.1
15K31.8Very low30.6Very low190 Ų190157.2 Ų157.283%0.82683%0.831SS**PPolyproline II helixtrans-94.2123.4166.4-82.3-177175.9179.70110
16R27.1Very low30.7Very low242 Ų242165.2 Ų165.291%0.91384%0.839SS**PPolyproline II helixtrans-65.9131.5165.9-78.1176.7172.5177.8-3.2109.3
17F29.9Very low31Very low206 Ų206165.7 Ų165.790%0.90484%0.836SS**PPolyproline II helixtrans-96.3123.7165.8-89.1-87.6000109.6
18S28.3Very low31.2Very low107 Ų107164.2 Ų164.275%0.74883%0.834SS**PPolyproline II helixtrans-85.6149.7175.4-490000110.7
19C27.3Very low31.8Very low136 Ų136159.2 Ų159.292%0.91983%0.83SS**PPolyproline II helixtrans-46.8131.1177.3-77.80000114.3
20L29.7Very low31.9Very low168 Ų168159.4 Ų159.488%0.8883%0.829SS**PPolyproline II helixtrans-92.8118.1161.9-93.9146.3000108.9
21S28.8Very low32.2Very low113 Ų113158.2 Ų158.279%0.7983%0.83SS**PPolyproline II helixtrans-80133.8164.942.30000109.7
22L30.3Very low32.8Very low163 Ų163159.2 Ų159.285%0.85383%0.834SS**  trans-119.3149.5168.8-80.1169.5000110.1
23P35.3Very low33.1Very low112 Ų112158.2 Ų158.273%0.72783%0.828SS**  trans-94.9164.4-159.234-26.6000114.5
24N30.6Very low33.6Very low145 Ų145151.6 Ų151.678%0.77583%0.825SS**  trans-49.9130.5-180-69.4-31.2000114.7
25I32.9Very low34.1Very low150 Ų150147.2 Ų147.277%0.76982%0.816SS**  trans-125.2115.2159.2-66.7173.1000107.2I27I25-I27 HydrophobicContact CG2-CD1 4.21Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å
26W31.1Very low34.5Very low238 Ų238143.5 Ų143.590%0.90281%0.814SS**  trans-90.9120.1172.9-80.478.1000109.1
27I37.1Very low35.3Very low143 Ų143138 Ų13873%0.73381%0.807SS**  trans-132.5116.6164.3-60.9179.3000108.7I25I25-I27 HydrophobicContact CG2-CD1 4.21Å; I25-I27 HydrophobicContact CG2-CG1 4.08Å
28T37.5Very low35.9Very low133 Ų133133.5 Ų133.582%0.81680%0.799SS**  trans-2114.2164.256.30000120.3
29G40.9Very low36.7Very low75 Ų75133.9 Ų133.977%0.77380%0.8SS**  43.393.2124.700000121.5
30M33.8Very low37.7Very low177 Ų177133 Ų13387%0.87279%0.792SS**  trans-159.8140.5134.2-79.6-153.6161.100109.3V32M30-V32 PolarHBondContact O-N 3.35Å
31P38.4Very low38.7Very low130 Ų130130.5 Ų130.584%0.84479%0.789SS**  trans-80.1114.3-179.930.9-29.8000110.7
32V43.1Very low39.8Very low129 Ų129128.1 Ų128.178%0.78278%0.777SS**  trans-90.1128.9169-176.80000108.2M30 A34M30-V32 PolarHBondContact O-N 3.35Å; V32-A34 PolarHBondContact O-N 2.93Å
33P41.3Very low40.8Very low107 Ų107122 Ų12270%0.69575%0.753SS**  trans-66.3129.8178.725.7-31.1000110.2T35P33-T35 PolarHBondContact O-N 2.81Å
34A41.2Very low42Very low105 Ų105121.7 Ų121.787%0.86875%0.751SS**  trans-6890.3176.500000110.4V32 S36V32-A34 PolarHBondContact O-N 2.93Å; A34-S36 PolarHBondContact O-N 3.26Å
35T39.2Very low43.3Very low122 Ų122121.4 Ų121.475%0.74875%0.745SS**  trans-78.999.4161.552.70000107.9P33 V37P33-T35 PolarHBondContact O-N 2.81Å; T35-V37 PolarHBondContact O-N 3.15Å; T35-V37 VanDerWaalsContact O-N 3.09Å
36S40.5Very low44.8Very low112 Ų112123.4 Ų123.478%0.78374%0.742SS**  trans-63.5106168.4450000109.1A34 P38A34-S36 PolarHBondContact O-N 3.26Å; S36-P38 WeakPolarHBondContact O-CD 3.26Å
37V43.7Very low46.7Very low127 Ų127115.3 Ų115.377%0.7772%0.72SS**  trans-70120.2164.8-179.70000106.7T35 C39T35-V37 PolarHBondContact O-N 3.15Å; T35-V37 VanDerWaalsContact O-N 3.09Å; V37-C39 PolarHBondContact O-N 2.95Å; V37-C39 VanDerWaalsContact O-N 3.13Å
38P43.2Very low48.4Very low112 Ų112113.8 Ų113.873%0.72771%0.711SS**  trans-68.2115.9175.6-1.313.5000108.6S36S36-P38 WeakPolarHBondContact O-CD 3.26Å
39C44Very low50.1Low114 Ų114114.3 Ų114.377%0.7770%0.702SS**  trans-64.5124167.3-165.20000107.7V37 S41V37-C39 PolarHBondContact O-N 2.95Å; V37-C39 VanDerWaalsContact O-N 3.13Å; C39-S41 PolarHBondContact O-N 3.48Å
40P49.1Very low51.7Low117 Ų117114.8 Ų114.876%0.7669%0.689SS**  trans-65.6106.1-18025.3-31.5000108.7A42P40-A42 VanDerWaalsContact C-N 3.33Å; P40-A42 PolarHBondContact O-N 3.43Å
41S50.8Low53.9Low116 Ų116111.9 Ų111.981%0.81168%0.677SS**  trans-6893.9171.355.10000108.3C39 G43C39-S41 PolarHBondContact O-N 3.48Å; S41-G43 VanDerWaalsContact C-N 3.35Å; S41-G43 PolarHBondContact O-N 3.06Å
42A52.8Low55.8Low64 Ų64110.9 Ų110.953%0.52966%0.664SS.*  trans-63.2100.6166.300000107.4P40P40-A42 VanDerWaalsContact C-N 3.33Å; P40-A42 PolarHBondContact O-N 3.43Å
43G50.9Low57.6Low35 Ų35110.6 Ų110.636%0.36166%0.657SS.*  trans-54.4148.8-178.800000111.8S41 H45 R46 T47S41-G43 VanDerWaalsContact C-N 3.35Å; S41-G43 PolarHBondContact O-N 3.06Å; G43-H45 PolarHBondContact O-N 3.49Å; G43-R46 WeakPolarHBondContact O-CB 3.43Å; G43-R46 PolarHBondContact O-N 3.42Å; G43-T47 PolarHBondContact O-N 2.84Å; G43-T47 PolarHBondContact O-OG1 3.14Å
44P60.5Low59.4Low104 Ų104109.4 Ų109.468%0.67565%0.648SS**Hα-helixtrans-54.4-29.7-170.718.3-31.2000113.7R46 M48P44-R46 PolarHBondContact O-N 2.82Å; P44-M48 WeakPolarHBondContact O-CB 3.24Å; P44-M48 PolarHBondContact O-N 3.23Å
45H57Low61.3Low140 Ų140106.2 Ų106.265%0.64863%0.625SS**Hα-helixtrans-66.4-31.2174.3-71.5-69.4000114.4G43 K49G43-H45 PolarHBondContact O-N 3.49Å; H45-K49 VanDerWaalsContact O-CG 3.3Å; H45-K49 WeakPolarHBondContact O-CG 3.28Å; H45-K49 PolarHBondContact O-N 3.3Å
46R65.4Low63.3Low191 Ų191106.3 Ų106.372%0.72162%0.62SS**Hα-helixtrans-76.6-41.1179.9-148.3176.4-170.9-174.82.3110.3G43 P44 K49 V50G43-R46 WeakPolarHBondContact O-CB 3.43Å; G43-R46 PolarHBondContact O-N 3.42Å; P44-R46 PolarHBondContact O-N 2.82Å; R46-K49 PolarHBondContact O-N 3.15Å; R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.97Å; R46-V50 VanDerWaalsContact O-N 3.09Å
47T70.1Confident65.1Low69 Ų69102.8 Ų102.842%0.42360%0.601SS.*Hα-helixtrans-64.5-42175.7-20.90000111.4G43 V50 L51G43-T47 PolarHBondContact O-N 2.84Å; G43-T47 PolarHBondContact O-OG1 3.14Å; T47-V50 PolarHBondContact O-N 2.79Å; T47-L51 WeakPolarHBondContact O-CG 3.34Å; T47-L51 PolarHBondContact O-N 3.41Å
48M73.3Confident66.6Low111 Ų11199.6 Ų99.655%0.54759%0.589SS.*Hα-helixtrans-67.1-39.1177-170.3149.865.400112.9P44 L51 L52P44-M48 WeakPolarHBondContact O-CB 3.24Å; P44-M48 PolarHBondContact O-N 3.23Å; M48-L51 PolarHBondContact O-N 3.26Å; M48-L52 HydrophobicContact CG-CD1 4.23Å; M48-L52 WeakPolarHBondContact O-CB 3.23Å; M48-L52 WeakPolarHBondContact O-CG 3.4Å; M48-L52 PolarHBondContact O-N 3.01Å
49K72.6Confident67.9Low144 Ų144100.8 Ų100.863%0.62659%0.588SS**Hα-helixtrans-63.8-40.3173.5-76.6177-178.3-176.80112.4H45 R46 L53H45-K49 VanDerWaalsContact O-CG 3.3Å; H45-K49 WeakPolarHBondContact O-CG 3.28Å; H45-K49 PolarHBondContact O-N 3.3Å; R46-K49 PolarHBondContact O-N 3.15Å; K49-L53 WeakPolarHBondContact O-CB 3.45Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.46Å; K49-L53 PolarHBondContact O-N 3.43Å
50V74.9Confident69.2Low84 Ų84101.7 Ų101.751%0.50958%0.579SS.*Hα-helixtrans-67.2-42.5177.3172.20000111.2R46 T47 L53 T54R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.97Å; R46-V50 VanDerWaalsContact O-N 3.09Å; T47-V50 PolarHBondContact O-N 2.79Å; V50-L53 PolarHBondContact O-N 3.44Å; V50-T54 HydrophobicContact CG1-CG2 4.32Å; V50-T54 WeakPolarHBondContact O-CB 3.15Å; V50-T54 VanDerWaalsContact O-CG2 3.29Å; V50-T54 WeakPolarHBondContact O-CG2 3.44Å; V50-T54 PolarHBondContact O-N 3.15Å; V50-T54 PolarHBondContact O-OG1 2.87Å
51L79.4Confident70.2Confident117 Ų117101 Ų10161%0.61356%0.564SS**Hα-helixtrans-63.7-41.1175.6-78.9165.9000112.6T47 M48 T54 G55T47-L51 WeakPolarHBondContact O-CG 3.34Å; T47-L51 PolarHBondContact O-N 3.41Å; M48-L51 PolarHBondContact O-N 3.26Å; L51-T54 WeakPolarHBondContact CA-OG1 3.39Å; L51-T54 PolarHBondContact O-OG1 2.84Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; L51-G55 PolarHBondContact O-N 2.87Å
52L78.3Confident70.8Confident109 Ų10998.2 Ų98.257%0.57155%0.549SS*.Hα-helixtrans-65.1-44.6175.5-78.6165.7000112M48 G55 L56M48-L52 HydrophobicContact CG-CD1 4.23Å; M48-L52 WeakPolarHBondContact O-CB 3.23Å; M48-L52 WeakPolarHBondContact O-CG 3.4Å; M48-L52 PolarHBondContact O-N 3.01Å; L52-G55 PolarHBondContact O-N 2.84Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 PolarHBondContact O-N 2.78Å
53L80.6Confident71.4Confident123 Ų123103.8 Ų103.864%0.64456%0.557SS**Hα-helixtrans-67.8-38178.9-73.8170.2000112.6K49 V50 G57K49-L53 WeakPolarHBondContact O-CB 3.45Å; K49-L53 VanDerWaalsContact O-CG 3.28Å; K49-L53 WeakPolarHBondContact O-CG 3.46Å; K49-L53 PolarHBondContact O-N 3.43Å; V50-L53 PolarHBondContact O-N 3.44Å; L53-G57 PolarHBondContact O-N 3.22Å
54T79.9Confident71.9Confident82 Ų82107 Ų10750%0.50356%0.56SS.*Hα-helixtrans-71.8-38175.350.40000111.7V50 L51 G57 A58V50-T54 HydrophobicContact CG1-CG2 4.32Å; V50-T54 WeakPolarHBondContact O-CB 3.15Å; V50-T54 VanDerWaalsContact O-CG2 3.29Å; V50-T54 WeakPolarHBondContact O-CG2 3.44Å; V50-T54 PolarHBondContact O-N 3.15Å; V50-T54 PolarHBondContact O-OG1 2.87Å; L51-T54 WeakPolarHBondContact CA-OG1 3.39Å; L51-T54 PolarHBondContact O-OG1 2.84Å; L51-T54 VanDerWaalsContact O-OG1 3.07Å; T54-G57 PolarHBondContact O-N 2.98Å; T54-A58 VanDerWaalsContact O-CB 3.3Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.93Å
55G81.3Confident72.1Confident37 Ų37109.4 Ų109.438%0.38156%0.555SS.*Hα-helixtrans-63.2-49.1172.600000112.5L51 L52 G57 A58 L59L51-G55 PolarHBondContact O-N 2.87Å; L52-G55 PolarHBondContact O-N 2.84Å; G55-G57 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 2.77Å; G55-A58 PolarHBondContact O-N 3.25Å; G55-L59 WeakPolarHBondContact O-CB 3.42Å; G55-L59 PolarHBondContact O-N 3.35Å
56L81.2Confident72.3Confident124 Ų124109 Ų10965%0.64956%0.558SS**Hα-helixtrans-59.8-41.1172.3-96.5144.9000111.8L52 F60L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 PolarHBondContact O-N 2.78Å; L56-F60 WeakPolarHBondContact O-CB 3.48Å; L56-F60 PolarHBondContact O-N 3.44Å
57G77.9Confident72.5Confident38 Ų38102.9 Ų102.939%0.39254%0.539SS..Hα-helixtrans-62.7-43.8175.500000112.6L53 T54 G55 F61L53-G57 PolarHBondContact O-N 3.22Å; T54-G57 PolarHBondContact O-N 2.98Å; G55-G57 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 2.77Å; G57-F61 VanDerWaalsContact O-CB 3.29Å; G57-F61 WeakPolarHBondContact O-CB 3.41Å; G57-F61 PolarHBondContact O-N 3Å
58A74.5Confident73.2Confident61 Ų61106.9 Ų106.950%0.50456%0.558SS.*Hα-helixtrans-68.4-40.6177.600000112T54 G55 F61 A62T54-A58 VanDerWaalsContact O-CB 3.3Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.93Å; G55-A58 PolarHBondContact O-N 3.25Å; A58-F61 PolarHBondContact O-N 3.18Å; A58-A62 WeakPolarHBondContact O-CB 3.24Å; A58-A62 PolarHBondContact O-N 3.28Å
59L72.6Confident74.1Confident136 Ų136103.1 Ų103.171%0.71254%0.539SS*.Hα-helixtrans-67.5-42.2176.5-137.4112.2000111.4G55 F61 A62 Y63G55-L59 WeakPolarHBondContact O-CB 3.42Å; G55-L59 PolarHBondContact O-N 3.35Å; L59-F61 VanDerWaalsContact C-N 3.31Å; L59-F61 PolarHBondContact O-N 3.29Å; L59-A62 PolarHBondContact O-N 3.31Å; L59-Y63 VanDerWaalsContact O-CB 3.28Å; L59-Y63 WeakPolarHBondContact O-CB 3.32Å; L59-Y63 PolarHBondContact O-N 3.1Å
60F71.3Confident75.1Confident133 Ų133100.5 Ų100.558%0.58353%0.532SS*.Hα-helixtrans-59.7-43.8171.7-178.7-86.4000110.6L56 Y64L56-F60 WeakPolarHBondContact O-CB 3.48Å; L56-F60 PolarHBondContact O-N 3.44Å; F60-Y64 AromaticContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CE2 4.37Å; F60-Y64 AromaticContact CD2-CD2 3.92Å; F60-Y64 HydrophobicContact CD2-CD2 3.92Å; F60-Y64 AromaticContact CD2-CE2 3.68Å; F60-Y64 HydrophobicContact CD2-CE2 3.68Å; F60-Y64 AromaticContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CE2 4Å; F60-Y64 AromaticContact CE2-CD2 3.76Å; F60-Y64 HydrophobicContact CE2-CD2 3.76Å; F60-Y64 AromaticContact CE2-CE2 3.27Å; F60-Y64 HydrophobicContact CE2-CE2 3.27Å; F60-Y64 AromaticContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CE2 4.22Å; F60-Y64 AromaticContact CZ-CD2 3.59Å; F60-Y64 HydrophobicContact CZ-CD2 3.59Å; F60-Y64 AromaticContact CZ-CE2 3.44Å; F60-Y64 HydrophobicContact CZ-CE2 3.44Å; F60-Y64 VanDerWaalsContact CZ-CE2 3.44Å; F60-Y64 WeakPolarHBondContact O-CB 3.49Å; F60-Y64 VanDerWaalsContact O-CD2 3.23Å; F60-Y64 WeakPolarHBondContact O-CD2 3.47Å; F60-Y64 PolarHBondContact O-N 3.05Å; F60-Y64 VanDerWaalsContact O-N 3.09Å
61F68.3Low76Confident102 Ų10299.7 Ų99.745%0.44753%0.528SS..Hα-helixtrans-65.3-47178.4-152.8-88.5000111.4G57 A58 L59 Y63 Y64 W65G57-F61 VanDerWaalsContact O-CB 3.29Å; G57-F61 WeakPolarHBondContact O-CB 3.41Å; G57-F61 PolarHBondContact O-N 3Å; A58-F61 PolarHBondContact O-N 3.18Å; L59-F61 VanDerWaalsContact C-N 3.31Å; L59-F61 PolarHBondContact O-N 3.29Å; F61-Y63 PolarHBondContact O-N 2.78Å; F61-Y64 PolarHBondContact O-N 2.9Å; F61-W65 HydrophobicContact CD1-CB 4.2Å; F61-W65 HydrophobicContact CD1-CD2 4.38Å; F61-W65 HydrophobicContact CD1-CE3 4.23Å; F61-W65 HydrophobicContact CD1-CG 4.39Å; F61-W65 HydrophobicContact CE1-CB 4.29Å; F61-W65 AromaticContact CE1-CD2 3.62Å; F61-W65 HydrophobicContact CE1-CD2 3.62Å; F61-W65 AromaticContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CE3 3.43Å; F61-W65 VanDerWaalsContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CG 4.01Å; F61-W65 AromaticContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE2-CE3 4.17Å; F61-W65 HydrophobicContact CE2-CZ3 4.23Å; F61-W65 HydrophobicContact CZ-CD2 4.04Å; F61-W65 AromaticContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CH2 4.2Å; F61-W65 AromaticContact CZ-CZ3 3.49Å; F61-W65 HydrophobicContact CZ-CZ3 3.49Å; F61-W65 VanDerWaalsContact CZ-CZ3 3.49Å; F61-W65 WeakPolarHBondContact O-CB 3.26Å; F61-W65 PolarHBondContact O-N 2.93Å
62A63.6Low76.7Confident59 Ų5996.9 Ų96.949%0.48852%0.522SS..Hα-helixtrans-60-47.1177.100000112A58 L59 Y64 W65 D66A58-A62 WeakPolarHBondContact O-CB 3.24Å; A58-A62 PolarHBondContact O-N 3.28Å; L59-A62 PolarHBondContact O-N 3.31Å; A62-Y64 VanDerWaalsContact C-N 3.27Å; A62-Y64 PolarHBondContact O-N 3.44Å; A62-W65 PolarHBondContact O-N 2.91Å; A62-D66 PolarHBondContact O-N 2.88Å; A62-D66 VanDerWaalsContact O-N 3.07Å
63Y65Low77.5Confident180 Ų18094.3 Ų94.371%0.70651%0.513SS*.Hα-helixtrans-61.8-32178.1-178.1-97.4000113.4L59 F61L59-Y63 VanDerWaalsContact O-CB 3.28Å; L59-Y63 WeakPolarHBondContact O-CB 3.32Å; L59-Y63 PolarHBondContact O-N 3.1Å; F61-Y63 PolarHBondContact O-N 2.78Å
64Y62.4Low78.3Confident104 Ų10488.4 Ų88.441%0.40848%0.482SS..Hα-helixtrans-93-10.9179.5-82.4-61.9000114.8F60 F61 A62 R305F60-Y64 AromaticContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CD2 3.84Å; F60-Y64 HydrophobicContact CD1-CE2 4.37Å; F60-Y64 AromaticContact CD2-CD2 3.92Å; F60-Y64 HydrophobicContact CD2-CD2 3.92Å; F60-Y64 AromaticContact CD2-CE2 3.68Å; F60-Y64 HydrophobicContact CD2-CE2 3.68Å; F60-Y64 AromaticContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CD2 3.64Å; F60-Y64 HydrophobicContact CE1-CE2 4Å; F60-Y64 AromaticContact CE2-CD2 3.76Å; F60-Y64 HydrophobicContact CE2-CD2 3.76Å; F60-Y64 AromaticContact CE2-CE2 3.27Å; F60-Y64 HydrophobicContact CE2-CE2 3.27Å; F60-Y64 AromaticContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CD2 3.97Å; F60-Y64 HydrophobicContact CG-CE2 4.22Å; F60-Y64 AromaticContact CZ-CD2 3.59Å; F60-Y64 HydrophobicContact CZ-CD2 3.59Å; F60-Y64 AromaticContact CZ-CE2 3.44Å; F60-Y64 HydrophobicContact CZ-CE2 3.44Å; F60-Y64 VanDerWaalsContact CZ-CE2 3.44Å; F60-Y64 WeakPolarHBondContact O-CB 3.49Å; F60-Y64 VanDerWaalsContact O-CD2 3.23Å; F60-Y64 WeakPolarHBondContact O-CD2 3.47Å; F60-Y64 PolarHBondContact O-N 3.05Å; F60-Y64 VanDerWaalsContact O-N 3.09Å; F61-Y64 PolarHBondContact O-N 2.9Å; A62-Y64 VanDerWaalsContact C-N 3.27Å; A62-Y64 PolarHBondContact O-N 3.44Å; Y64-R305 PolarHBondContact OH-NH2 3.07Å; Y64-R305 VanDerWaalsContact OH-NH2 3.17Å
65W64.9Low79.1Confident154 Ų15491.6 Ų91.658%0.58349%0.491SS*.Hα-helixtrans-110-24.8-173.2-154.6-81.3000113.6F61 A62 D67 W302F61-W65 HydrophobicContact CD1-CB 4.2Å; F61-W65 HydrophobicContact CD1-CD2 4.38Å; F61-W65 HydrophobicContact CD1-CE3 4.23Å; F61-W65 HydrophobicContact CD1-CG 4.39Å; F61-W65 HydrophobicContact CE1-CB 4.29Å; F61-W65 AromaticContact CE1-CD2 3.62Å; F61-W65 HydrophobicContact CE1-CD2 3.62Å; F61-W65 AromaticContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CE3 3.43Å; F61-W65 VanDerWaalsContact CE1-CE3 3.43Å; F61-W65 HydrophobicContact CE1-CG 4.01Å; F61-W65 AromaticContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE1-CZ3 3.98Å; F61-W65 HydrophobicContact CE2-CE3 4.17Å; F61-W65 HydrophobicContact CE2-CZ3 4.23Å; F61-W65 HydrophobicContact CZ-CD2 4.04Å; F61-W65 AromaticContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CE3 3.39Å; F61-W65 HydrophobicContact CZ-CH2 4.2Å; F61-W65 AromaticContact CZ-CZ3 3.49Å; F61-W65 HydrophobicContact CZ-CZ3 3.49Å; F61-W65 VanDerWaalsContact CZ-CZ3 3.49Å; F61-W65 WeakPolarHBondContact O-CB 3.26Å; F61-W65 PolarHBondContact O-N 2.93Å; A62-W65 PolarHBondContact O-N 2.91Å; W65-D67 PolarHBondContact O-N 2.96Å; W65-W302 AromaticContact CZ3-CD1 3.93Å; W65-W302 HydrophobicContact CZ3-CG 4.33Å
66D61.3Low79.9Confident132 Ų13291.4 Ų91.471%0.70649%0.489SS*.  trans-86.1106173.8-147.69.4000109.3A62A62-D66 PolarHBondContact O-N 2.88Å; A62-D66 VanDerWaalsContact O-N 3.07Å
67D70.4Confident80.7Confident61 Ų6185.8 Ų85.833%0.32646%0.461SS..  trans-92.8131.5169.253.134000109.4W65 F69 R289 T293W65-D67 PolarHBondContact O-N 2.96Å; D67-F69 HydrophobicContact CB-CB 4.45Å; D67-F69 PolarHBondContact O-N 3.46Å; D67-R289 IonicContact OD1-CZ 3.77Å; D67-R289 IonicContact OD1-NH1 3.79Å; D67-R289 PolarHBondContact OD1-NH1 2.83Å; D67-R289 WeakPolarHBondContact OD2-CD 3.38Å; D67-R289 IonicContact OD2-NH1 2.75Å; D67-R289 PolarHBondContact OD2-NH1 2.85Å; D67-T293 HydrophobicContact CB-CG2 4.38Å
68N84.1Confident81.7Confident154 Ų15486.6 Ų86.682%0.82445%0.452SS*.  trans-73.639.1173.5-69.9-15.8000111.4D70N68-D70 PolarHBondContact O-N 2.75Å
69F92.1Very high82.9Confident32 Ų3283.7 Ų83.714%0.1443%0.428CS..  trans-73.3111.8-177.3174.1-111.5000110.1D67 P71 L74 L99 I288 R289 A292 T293D67-F69 HydrophobicContact CB-CB 4.45Å; D67-F69 PolarHBondContact O-N 3.46Å; F69-P71 HydrophobicContact CD1-CG 4.35Å; F69-P71 HydrophobicContact CE1-CB 4.38Å; F69-P71 HydrophobicContact CE1-CG 3.91Å; F69-P71 WeakPolarHBondContact O-CD 3.36Å; F69-L74 HydrophobicContact CE2-CD1 3.8Å; F69-L74 HydrophobicContact CZ-CD1 4.01Å; F69-L99 HydrophobicContact CZ-CD1 4.38Å; F69-I288 HydrophobicContact CE2-CG2 4.35Å; F69-I288 HydrophobicContact CZ-CG2 4.42Å; F69-R289 HydrophobicContact CB-CB 4.45Å; F69-R289 HydrophobicContact CB-CG 4.16Å; F69-R289 HydrophobicContact CD1-CG 3.75Å; F69-R289 HydrophobicContact CD2-CB 4.19Å; F69-R289 HydrophobicContact CD2-CG 3.88Å; F69-R289 HydrophobicContact CE1-CG 4.06Å; F69-R289 HydrophobicContact CE2-CG 4.2Å; F69-R289 HydrophobicContact CG-CB 4.22Å; F69-R289 HydrophobicContact CG-CG 3.63Å; F69-R289 HydrophobicContact CZ-CG 4.28Å; F69-A292 HydrophobicContact CD2-CB 3.8Å; F69-A292 HydrophobicContact CE2-CB 3.71Å; F69-T293 HydrophobicContact CB-CG2 4.02Å
70D93.2Very high84.2Confident89 Ų8977.2 Ų77.248%0.47639%0.394SS..  trans-96.5113.4170.2176.814000110.1N68 A72 S73N68-D70 PolarHBondContact O-N 2.75Å; D70-A72 PolarHBondContact O-N 3.1Å; D70-A72 WeakPolarHBondContact OD1-CB 3.34Å; D70-A72 PolarHBondContact OD1-N 3.49Å; D70-S73 WeakPolarHBondContact O-CB 3.38Å; D70-S73 PolarHBondContact O-N 3.36Å; D70-S73 VanDerWaalsContact O-N 3.14Å; D70-S73 PolarHBondContact O-OG 3.03Å
71P93.1Very high85.5Confident67 Ų6770.9 Ų70.944%0.43537%0.366SS..G310 helixtrans-56-31.7174.8-24.934.8000113.9F69 S73 L74 L99F69-P71 HydrophobicContact CD1-CG 4.35Å; F69-P71 HydrophobicContact CE1-CB 4.38Å; F69-P71 HydrophobicContact CE1-CG 3.91Å; F69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-S73 PolarHBondContact O-N 3.18Å; P71-L74 PolarHBondContact O-N 3.34Å; P71-L99 HydrophobicContact CB-CD2 3.78Å
72A94.3Very high86.9Confident58 Ų5866 Ų6648%0.47935%0.345SS..G310 helixtrans-67.4-24.6-178.800000112.2D70 L74 Q75D70-A72 PolarHBondContact O-N 3.1Å; D70-A72 WeakPolarHBondContact OD1-CB 3.34Å; D70-A72 PolarHBondContact OD1-N 3.49Å; A72-L74 PolarHBondContact O-N 3.18Å; A72-Q75 WeakPolarHBondContact O-CB 3.37Å; A72-Q75 PolarHBondContact O-N 3.35Å; A72-Q75 VanDerWaalsContact O-N 3.08Å
73S95.3Very high88.4Confident54 Ų5463.7 Ų63.738%0.37833%0.326SS..G310 helixtrans-61.1-15.6175.771.70000114.3D70 P71D70-S73 WeakPolarHBondContact O-CB 3.38Å; D70-S73 PolarHBondContact O-N 3.36Å; D70-S73 VanDerWaalsContact O-N 3.14Å; D70-S73 PolarHBondContact O-OG 3.03Å; P71-S73 PolarHBondContact O-N 3.18Å
74L97.6Very high89.8Confident0 Ų055.1 Ų55.10%029%0.292CS..G310 helixtrans-103.9-6179.5-69.5173.4000113.6F69 P71 A72 G76 A77 Y96 L99 S101 Y157 I288 A292F69-L74 HydrophobicContact CE2-CD1 3.8Å; F69-L74 HydrophobicContact CZ-CD1 4.01Å; P71-L74 PolarHBondContact O-N 3.34Å; A72-L74 PolarHBondContact O-N 3.18Å; L74-G76 PolarHBondContact O-N 3.31Å; L74-A77 HydrophobicContact CD2-CB 4.43Å; L74-A77 WeakPolarHBondContact O-CB 3.45Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-Y96 HydrophobicContact CD1-CE1 4.28Å; L74-Y96 HydrophobicContact CD2-CD1 4.48Å; L74-Y96 HydrophobicContact CD2-CE1 3.96Å; L74-L99 CarbonylContact C-O 3.56Å; L74-L99 HydrophobicContact CB-CB 4.05Å; L74-L99 HydrophobicContact CD1-CD1 3.66Å; L74-S101 WeakPolarHBondContact O-CA 3.49Å; L74-S101 PolarHBondContact O-OG 3.14Å; L74-Y157 HydrophobicContact CD2-CD2 4.31Å; L74-Y157 HydrophobicContact CD2-CE1 4.15Å; L74-Y157 HydrophobicContact CD2-CE2 3.59Å; L74-Y157 VanDerWaalsContact CD2-CZ 3.5Å; L74-I288 HydrophobicContact CD1-CG2 3.31Å; L74-A292 HydrophobicContact CD1-CB 4.28Å; L74-A292 HydrophobicContact CD2-CB 4.41Å; L74-A292 HydrophobicContact CG-CB 4.38Å
75Q97.9Very high91.1Very high149 Ų14951.4 Ų51.470%0.69628%0.28SS*.THydrogen-bonded Turntrans-68.3124.4176.9-171.3169.66.800110A72 A77 L99A72-Q75 WeakPolarHBondContact O-CB 3.37Å; A72-Q75 PolarHBondContact O-N 3.35Å; A72-Q75 VanDerWaalsContact O-N 3.08Å; Q75-A77 PolarHBondContact O-N 3.43Å; Q75-L99 WeakPolarHBondContact CA-O 3.42Å; Q75-L99 PolarHBondContact N-O 3.14Å
76G97.9Very high92.1Very high32 Ų3244.7 Ų44.733%0.3326%0.257SS..THydrogen-bonded Turntrans73.5-4.7-176.600000115.4L74 G100 H102L74-G76 PolarHBondContact O-N 3.31Å; G76-G100 PolarHBondContact N-O 3.42Å; G76-H102 PolarHBondContact O-ND1 2.99Å
77A98.4Very high93.3Very high7 Ų739.9 Ų39.96%0.05824%0.238CC..  trans-60.6138.717900000111.5L74 Q75 V79 S101 H102 Y157L74-A77 HydrophobicContact CD2-CB 4.43Å; L74-A77 WeakPolarHBondContact O-CB 3.45Å; L74-A77 PolarHBondContact O-N 3.36Å; Q75-A77 PolarHBondContact O-N 3.43Å; A77-V79 HydrophobicContact CB-CG2 4.46Å; A77-S101 CarbonylContact O-C 3.56Å; A77-S101 WeakPolarHBondContact O-CA 3.41Å; A77-S101 WeakPolarHBondContact O-CB 3.37Å; A77-H102 PolarHBondContact O-N 3.26Å; A77-Y157 HydrophobicContact CB-CD2 4.09Å; A77-Y157 HydrophobicContact CB-CE2 3.92Å
78R98.8Very high94.1Very high55 Ų5537 Ų3721%0.20822%0.224CC..EExtended strand (participates in β ladder)trans-92.3108.7-177.6-59.3166.2-62.4170.15.4109.7L152 G153 G154 D156 Y157R78-L152 HydrophobicContact CB-CB 4.09Å; R78-L152 HydrophobicContact CB-CD1 4.02Å; R78-L152 VanDerWaalsContact CD-O 3.23Å; R78-L152 WeakPolarHBondContact CD-O 3.34Å; R78-L152 HydrophobicContact CG-CB 4.12Å; R78-G153 PolarHBondContact NH1-O 3.28Å; R78-G154 WeakPolarHBondContact CB-O 3.36Å; R78-G154 WeakPolarHBondContact CD-O 3.28Å; R78-D156 WeakPolarHBondContact CB-OD2 3.33Å; R78-D156 WeakPolarHBondContact CG-OD2 3.21Å; R78-D156 IonicContact CZ-OD1 3.52Å; R78-D156 IonicContact CZ-OD2 3.81Å; R78-D156 PolarHBondContact N-OD2 2.97Å; R78-D156 IonicContact NE-OD1 3.46Å; R78-D156 PolarHBondContact NE-OD1 3.04Å; R78-D156 IonicContact NE-OD2 2.96Å; R78-D156 PolarHBondContact NE-OD2 3.18Å; R78-D156 IonicContact NH2-OD1 3.2Å; R78-D156 PolarHBondContact NH2-OD1 3.16Å; R78-D156 IonicContact NH2-OD2 3.78Å; R78-D156 PolarHBondContact O-N 3.24Å; R78-Y157 PolarHBondContact O-N 2.97Å
79V98.9Very high94.5Very high0 Ų029.7 Ų29.70%018%0.184CC..EExtended strand (participates in β ladder)trans-118.7119.8-170.1-174.50000110.6A77 Y96 H102 L103 V104 Y157 V159A77-V79 HydrophobicContact CB-CG2 4.46Å; V79-Y96 HydrophobicContact CG1-CD1 4.4Å; V79-Y96 HydrophobicContact CG1-CD2 4.11Å; V79-Y96 HydrophobicContact CG1-CE1 4.24Å; V79-Y96 HydrophobicContact CG1-CE2 3.96Å; V79-Y96 HydrophobicContact CG1-CG 4.34Å; V79-Y96 HydrophobicContact CG2-CD1 3.91Å; V79-Y96 HydrophobicContact CG2-CE1 3.97Å; V79-Y96 HydrophobicContact CG2-CG 4.44Å; V79-H102 PolarHBondContact N-O 3.29Å; V79-L103 HydrophobicContact CB-CD2 3.76Å; V79-L103 HydrophobicContact CG1-CD2 4.13Å; V79-L103 HydrophobicContact CG2-CD2 4.36Å; V79-V104 PolarHBondContact O-N 2.82Å; V79-Y157 WeakPolarHBondContact CA-O 3.45Å; V79-Y157 HydrophobicContact CG2-CD2 4.14Å; V79-Y157 HydrophobicContact CG2-CG 4.36Å; V79-V159 HydrophobicContact CG1-CG2 3.97Å
80L98.9Very high94.7Very high0 Ų030.1 Ų30.10%019%0.187CC..EExtended strand (participates in β ladder)trans-94.8115.9164.9172.455.2000109.4V104 V144 V145 A148 L155 Y157 L158 V159L80-V104 HydrophobicContact CD1-CB 4.11Å; L80-V104 HydrophobicContact CD1-CG1 3.75Å; L80-V144 HydrophobicContact CD1-CG1 3.92Å; L80-V144 HydrophobicContact CD2-CG1 4.1Å; L80-V145 HydrophobicContact CD2-CG2 3.99Å; L80-A148 HydrophobicContact CB-CB 4.23Å; L80-A148 HydrophobicContact CD1-CB 4.09Å; L80-A148 HydrophobicContact CD2-CB 3.89Å; L80-A148 HydrophobicContact CG-CB 4.29Å; L80-L155 HydrophobicContact CB-CD1 4.37Å; L80-L155 HydrophobicContact CB-CD2 3.76Å; L80-L155 HydrophobicContact CD2-CD1 4.36Å; L80-Y157 PolarHBondContact N-O 3.37Å; L80-L158 HydrophobicContact CB-CD1 4.15Å; L80-L158 HydrophobicContact CD2-CD1 3.76Å; L80-L158 HydrophobicContact CG-CD1 3.84Å; L80-V159 PolarHBondContact O-N 3.29Å
81L98.8Very high94.8Very high0 Ų027.9 Ų27.90%017%0.173CC..EExtended strand (participates in β ladder)trans-117.3120.9-177.8173.960.6000111.9A84 G89 L92 A93 V104 L105 T106 V159 N161L81-A84 HydrophobicContact CD2-CB 4.17Å; L81-A84 HydrophobicContact CG-CB 4.06Å; L81-G89 WeakPolarHBondContact CD2-O 3.34Å; L81-L92 HydrophobicContact CD1-CB 4.18Å; L81-L92 HydrophobicContact CD1-CD1 3.92Å; L81-L92 HydrophobicContact CD2-CB 3.72Å; L81-A93 HydrophobicContact CD2-CB 3.8Å; L81-V104 PolarHBondContact N-O 2.9Å; L81-L105 HydrophobicContact CB-CD2 3.97Å; L81-L105 HydrophobicContact CD2-CD2 4.02Å; L81-L105 HydrophobicContact CG-CD2 4.38Å; L81-T106 PolarHBondContact O-N 3.09Å; L81-V159 HydrophobicContact CD1-CB 3.67Å; L81-V159 HydrophobicContact CD1-CG1 3.5Å; L81-N161 HydrophobicContact CD1-CB 4.35Å
82T98.4Very high95Very high0 Ų024.7 Ų24.70%015%0.153CC..EExtended strand (participates in β ladder)trans-96.7148.8178.167.30000113.2A84 T106 V159 L160 N161 H162 L192T82-A84 VanDerWaalsContact C-N 3.34Å; T82-T106 CarbonylContact C-O 3.58Å; T82-T106 HydrophobicContact CG2-CG2 3.65Å; T82-V159 PolarHBondContact N-O 3.46Å; T82-V159 PolarHBondContact OG1-O 3.2Å; T82-V159 VanDerWaalsContact OG1-O 3.06Å; T82-L160 HydrophobicContact CG2-CD2 4.35Å; T82-L160 WeakPolarHBondContact OG1-CA 3.26Å; T82-N161 WeakPolarHBondContact O-CB 3.49Å; T82-N161 PolarHBondContact O-ND2 3.48Å; T82-N161 VanDerWaalsContact O-ND2 3.1Å; T82-N161 PolarHBondContact OG1-N 3.34Å; T82-H162 VanDerWaalsContact CB-ND1 3.27Å; T82-H162 WeakPolarHBondContact CB-ND1 3.41Å; T82-H162 PolarHBondContact O-N 2.95Å; T82-H162 PolarHBondContact OG1-N 3.18Å; T82-H162 PolarHBondContact OG1-ND1 3.36Å; T82-L192 HydrophobicContact CG2-CD1 3.85Å
83G95.4Very high95.2Very high9 Ų922 Ų229%0.09313%0.13CC..SBendtrans6834.8-178.300000112.5N85 G89 T106 N161G83-N85 VanDerWaalsContact C-N 3.27Å; G83-N85 PolarHBondContact O-N 2.97Å; G83-G89 WeakPolarHBondContact O-CA 3.5Å; G83-T106 PolarHBondContact N-O 3.01Å; G83-N161 PolarHBondContact O-ND2 3.47Å
84A94.6Very high95.3Very high0 Ų020.2 Ų20.20%012%0.115CC..THydrogen-bonded Turntrans-82.23.5-171.400000114.4L81 T82 L105 T106 L113L81-A84 HydrophobicContact CD2-CB 4.17Å; L81-A84 HydrophobicContact CG-CB 4.06Å; T82-A84 VanDerWaalsContact C-N 3.34Å; A84-L105 HydrophobicContact CB-CB 3.89Å; A84-L105 HydrophobicContact CB-CD1 4.42Å; A84-L105 HydrophobicContact CB-CD2 4.05Å; A84-L105 HydrophobicContact CB-CG 4.35Å; A84-T106 PolarHBondContact N-O 2.92Å; A84-T106 VanDerWaalsContact N-O 3.14Å; A84-L113 HydrophobicContact CB-CD2 4.15Å
85N88.3Confident95.3Very high26 Ų2621.6 Ų21.614%0.13912%0.122CC..THydrogen-bonded Turntrans-77.8-18.6-173.459.7-31.2000114.6G83 A107 L112 L113G83-N85 VanDerWaalsContact C-N 3.27Å; G83-N85 PolarHBondContact O-N 2.97Å; N85-A107 HydrophobicContact CB-CB 3.54Å; N85-L112 HydrophobicContact CB-CB 3.81Å; N85-L112 HydrophobicContact CB-CD1 4.29Å; N85-L113 HydrophobicContact CB-CD2 4.49Å
86A86.3Confident95.3Very high13 Ų1314.5 Ų14.511%0.1079%0.089CC..SBendtrans-168.6167.4-179.200000113.3G89 E90 R262A86-G89 PolarHBondContact O-N 3.5Å; A86-E90 PolarHBondContact O-N 3.23Å; A86-R262 VanDerWaalsContact CB-CZ 3.5Å
87G85.8Confident95.4Very high31 Ų3113 Ų1332%0.327%0.073SC..Hα-helixtrans64.3-136170.900000112G89 E90 E91G87-G89 VanDerWaalsContact C-N 3.25Å; G87-G89 PolarHBondContact O-N 3.07Å; G87-E90 PolarHBondContact O-N 3.1Å; G87-E91 WeakPolarHBondContact O-CG 3.5Å; G87-E91 PolarHBondContact O-N 3.18Å
88V88.6Confident95.3Very high2 Ų218.8 Ų18.81%0.0129%0.093CC..Hα-helixtrans-63.4-32.2-179.7172.10000112.1E91 L92 L257 R260 A283 A284V88-E91 PolarHBondContact O-N 3.06Å; V88-L92 HydrophobicContact CG1-CD1 3.84Å; V88-L92 HydrophobicContact CG1-CG 3.99Å; V88-L92 VanDerWaalsContact O-CB 3.28Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 WeakPolarHBondContact O-CG 3.39Å; V88-L92 PolarHBondContact O-N 2.83Å; V88-L257 HydrophobicContact CG1-CD1 4.32Å; V88-R260 VanDerWaalsContact CB-CZ 3.49Å; V88-R260 VanDerWaalsContact CG2-NE 3.35Å; V88-A283 HydrophobicContact CG2-CB 4.4Å; V88-A284 HydrophobicContact CG1-CB 4.23Å
89G92.8Very high95.3Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-66.6-39.8176.900000112.8L81 G83 A86 G87 L92 A93 N161L81-G89 WeakPolarHBondContact CD2-O 3.34Å; G83-G89 WeakPolarHBondContact O-CA 3.5Å; A86-G89 PolarHBondContact O-N 3.5Å; G87-G89 VanDerWaalsContact C-N 3.25Å; G87-G89 PolarHBondContact O-N 3.07Å; G89-L92 PolarHBondContact O-N 3.32Å; G89-A93 PolarHBondContact O-N 3.4Å; G89-N161 WeakPolarHBondContact CA-ND2 3.47Å
90E94.6Very high95.2Very high40 Ų4018.4 Ų18.419%0.18710%0.098CC..Hα-helixtrans-64-47.1173.3170.2177.7-152.700111.2A86 G87 L92 A93 Y94 V116A86-E90 PolarHBondContact O-N 3.23Å; G87-E90 PolarHBondContact O-N 3.1Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.83Å; E90-A93 WeakPolarHBondContact O-CB 3.38Å; E90-A93 PolarHBondContact O-N 3.34Å; E90-A93 VanDerWaalsContact O-N 3.14Å; E90-Y94 HydrophobicContact CG-CD2 4Å; E90-Y94 HydrophobicContact CG-CE1 4.19Å; E90-Y94 HydrophobicContact CG-CE2 3.27Å; E90-Y94 WeakPolarHBondContact CG-OH 3.48Å; E90-Y94 PolarHBondContact O-N 3.49Å; E90-Y94 PolarHBondContact OE1-OH 2.95Å; E90-V116 HydrophobicContact CB-CG2 4.35Å; E90-V116 HydrophobicContact CG-CG2 3.99Å
91E95.7Very high95.2Very high43 Ų4318.4 Ų18.420%0.20110%0.098CC..Hα-helixtrans-64-36177.4-68.2-61153.900112.8G87 V88 Y94 H95 P281 A284G87-E91 WeakPolarHBondContact O-CG 3.5Å; G87-E91 PolarHBondContact O-N 3.18Å; V88-E91 PolarHBondContact O-N 3.06Å; E91-Y94 PolarHBondContact O-N 3.05Å; E91-H95 PolarHBondContact O-CD2 3.26Å; E91-H95 PolarHBondContact O-N 3.29Å; E91-P281 HydrophobicContact CG-CG 4.27Å; E91-A284 HydrophobicContact CB-CB 3.59Å
92L97.2Very high95.2Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-59.9-48.2171.7-77.9169.7000110.4L81 V88 G89 E90 Y94 H95 Y96 V159 N161 A284 V287 I288L81-L92 HydrophobicContact CD1-CB 4.18Å; L81-L92 HydrophobicContact CD1-CD1 3.92Å; L81-L92 HydrophobicContact CD2-CB 3.72Å; V88-L92 HydrophobicContact CG1-CD1 3.84Å; V88-L92 HydrophobicContact CG1-CG 3.99Å; V88-L92 VanDerWaalsContact O-CB 3.28Å; V88-L92 WeakPolarHBondContact O-CB 3.49Å; V88-L92 WeakPolarHBondContact O-CG 3.39Å; V88-L92 PolarHBondContact O-N 2.83Å; G89-L92 PolarHBondContact O-N 3.32Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 2.83Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.31Å; L92-H95 PolarHBondContact O-N 3.05Å; L92-Y96 HydrophobicContact CD2-CE2 4.4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.22Å; L92-Y96 PolarHBondContact O-N 2.99Å; L92-V159 HydrophobicContact CD1-CG1 4.13Å; L92-N161 HydrophobicContact CD1-CB 4.27Å; L92-A284 HydrophobicContact CD2-CB 3.98Å; L92-A284 WeakPolarHBondContact CD2-O 3.3Å; L92-A284 HydrophobicContact CG-CB 3.95Å; L92-V287 HydrophobicContact CD1-CG1 4.38Å; L92-V287 HydrophobicContact CD2-CB 3.96Å; L92-V287 HydrophobicContact CD2-CG1 3.81Å; L92-I288 HydrophobicContact CD2-CD1 3.9Å; L92-I288 HydrophobicContact CD2-CG1 3.54Å
93A98.1Very high95.2Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-59.2-41.3178.200000111.5L81 G89 E90 A97 L105 V116 C120L81-A93 HydrophobicContact CD2-CB 3.8Å; G89-A93 PolarHBondContact O-N 3.4Å; E90-A93 WeakPolarHBondContact O-CB 3.38Å; E90-A93 PolarHBondContact O-N 3.34Å; E90-A93 VanDerWaalsContact O-N 3.14Å; A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 3.46Å; A93-L105 HydrophobicContact CB-CD1 4Å; A93-L105 HydrophobicContact CB-CD2 3.93Å; A93-V116 HydrophobicContact CB-CG1 3.77Å; A93-C120 PolarHBondContact O-SG 3.37Å; A93-C120 VanDerWaalsContact O-SG 3.4Å
94Y98.2Very high95.4Very high17 Ų1719.8 Ų19.87%0.06710%0.102CC..Hα-helixtrans-68.1-39.3178-63.9-18.1000113.2E90 E91 L92 A97 R98 V116 N119 L123E90-Y94 HydrophobicContact CG-CD2 4Å; E90-Y94 HydrophobicContact CG-CE1 4.19Å; E90-Y94 HydrophobicContact CG-CE2 3.27Å; E90-Y94 WeakPolarHBondContact CG-OH 3.48Å; E90-Y94 PolarHBondContact O-N 3.49Å; E90-Y94 PolarHBondContact OE1-OH 2.95Å; E91-Y94 PolarHBondContact O-N 3.05Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.31Å; Y94-A97 WeakPolarHBondContact O-CB 3.44Å; Y94-A97 PolarHBondContact O-N 3.01Å; Y94-R98 WeakPolarHBondContact O-CG 3.27Å; Y94-R98 PolarHBondContact O-N 2.93Å; Y94-V116 HydrophobicContact CD1-CG1 4.49Å; Y94-V116 HydrophobicContact CE1-CB 4.43Å; Y94-V116 HydrophobicContact CE1-CG1 3.83Å; Y94-N119 HydrophobicContact CD1-CB 4.27Å; Y94-N119 HydrophobicContact CE1-CB 3.44Å; Y94-N119 VanDerWaalsContact CE1-CB 3.44Å; Y94-N119 PolarHBondContact OH-ND2 3.47Å; Y94-L123 HydrophobicContact CD1-CD1 3.73Å; Y94-L123 HydrophobicContact CG-CD1 3.74Å
95H98Very high95.6Very high30 Ų3019.8 Ų19.814%0.13910%0.102CC..Hα-helixtrans-69.1-46.6175.8-78.1-57.8000112.2E91 L92 A97 R98 L99 P281 I288E91-H95 PolarHBondContact O-CD2 3.26Å; E91-H95 PolarHBondContact O-N 3.29Å; L92-H95 PolarHBondContact O-N 3.05Å; H95-A97 PolarHBondContact O-N 2.79Å; H95-R98 PolarHBondContact O-N 2.95Å; H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CD1 3.3Å; H95-L99 WeakPolarHBondContact O-CG 3.27Å; H95-L99 PolarHBondContact O-N 3.08Å; H95-P281 PolarHBondContact NE2-O 3.29Å; H95-I288 HydrophobicContact CB-CD1 3.26Å
96Y98.4Very high96.1Very high0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-58.3-37.1173.8-80.1-62.9000112L74 V79 L92 L99 G100 S101 L103 V159 I288L74-Y96 HydrophobicContact CD1-CE1 4.28Å; L74-Y96 HydrophobicContact CD2-CD1 4.48Å; L74-Y96 HydrophobicContact CD2-CE1 3.96Å; V79-Y96 HydrophobicContact CG1-CD1 4.4Å; V79-Y96 HydrophobicContact CG1-CD2 4.11Å; V79-Y96 HydrophobicContact CG1-CE1 4.24Å; V79-Y96 HydrophobicContact CG1-CE2 3.96Å; V79-Y96 HydrophobicContact CG1-CG 4.34Å; V79-Y96 HydrophobicContact CG2-CD1 3.91Å; V79-Y96 HydrophobicContact CG2-CE1 3.97Å; V79-Y96 HydrophobicContact CG2-CG 4.44Å; L92-Y96 HydrophobicContact CD2-CE2 4.4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.22Å; L92-Y96 PolarHBondContact O-N 2.99Å; Y96-L99 CarbonylContact O-C 3.58Å; Y96-L99 PolarHBondContact O-N 3.06Å; Y96-G100 PolarHBondContact O-N 2.79Å; Y96-S101 WeakPolarHBondContact O-CB 3.49Å; Y96-S101 PolarHBondContact O-N 3.23Å; Y96-S101 PolarHBondContact O-OG 3.39Å; Y96-L103 HydrophobicContact CG-CD2 4.14Å; Y96-V159 HydrophobicContact CE2-CG2 4.04Å; Y96-I288 HydrophobicContact CD1-CD1 4.45Å; Y96-I288 HydrophobicContact CD2-CD1 3.95Å; Y96-I288 HydrophobicContact CD2-CG1 4.24Å; Y96-I288 HydrophobicContact CE1-CD1 4.47Å; Y96-I288 HydrophobicContact CE1-CG1 4.2Å; Y96-I288 HydrophobicContact CE1-CG2 4.12Å; Y96-I288 HydrophobicContact CE2-CD1 3.95Å; Y96-I288 HydrophobicContact CE2-CG1 3.72Å; Y96-I288 HydrophobicContact CG-CD1 4.19Å
97A98.4Very high96.6Very high0 Ų018.3 Ų18.30%09%0.093CC..Hα-helixtrans-61.8-48.6174.900000112.6A93 Y94 H95 L99 G100 L103 C120 L123 A125A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 3.46Å; Y94-A97 WeakPolarHBondContact O-CB 3.44Å; Y94-A97 PolarHBondContact O-N 3.01Å; H95-A97 PolarHBondContact O-N 2.79Å; A97-L99 PolarHBondContact O-N 2.98Å; A97-G100 PolarHBondContact O-N 2.92Å; A97-L103 HydrophobicContact CB-CD1 4.11Å; A97-C120 HydrophobicContact CB-CB 3.77Å; A97-L123 HydrophobicContact CB-CB 4.04Å; A97-A125 HydrophobicContact CB-CB 3.71Å; A97-A125 PolarHBondContact O-N 2.93Å
98R98Very high96.9Very high129 Ų12922.9 Ų22.949%0.48711%0.106SC..Hα-helixtrans-63-28.7176.7-69.9178.4-167.5108.43.5112.8Y94 H95 G100 L123Y94-R98 WeakPolarHBondContact O-CG 3.27Å; Y94-R98 PolarHBondContact O-N 2.93Å; H95-R98 PolarHBondContact O-N 2.95Å; R98-G100 PolarHBondContact O-N 2.74Å; R98-L123 HydrophobicContact CG-CB 4.1Å; R98-L123 HydrophobicContact CG-CD2 4.17Å; R98-L123 HydrophobicContact CG-CG 4.5Å
99L97.8Very high97.1Very high34 Ų3425 Ų2518%0.17812%0.119CC..THydrogen-bonded Turntrans-83.92.8177.8-65.4163.4000112.6F69 P71 L74 Q75 H95 Y96 A97 I288F69-L99 HydrophobicContact CZ-CD1 4.38Å; P71-L99 HydrophobicContact CB-CD2 3.78Å; L74-L99 CarbonylContact C-O 3.56Å; L74-L99 HydrophobicContact CB-CB 4.05Å; L74-L99 HydrophobicContact CD1-CD1 3.66Å; Q75-L99 WeakPolarHBondContact CA-O 3.42Å; Q75-L99 PolarHBondContact N-O 3.14Å; H95-L99 WeakPolarHBondContact O-CB 3.37Å; H95-L99 WeakPolarHBondContact O-CD1 3.3Å; H95-L99 WeakPolarHBondContact O-CG 3.27Å; H95-L99 PolarHBondContact O-N 3.08Å; Y96-L99 CarbonylContact O-C 3.58Å; Y96-L99 PolarHBondContact O-N 3.06Å; A97-L99 PolarHBondContact O-N 2.98Å; L99-I288 HydrophobicContact CD1-CG2 4.01Å
100G97.9Very high97.2Very high12 Ų1229.2 Ų29.212%0.12414%0.139CC..THydrogen-bonded Turntrans77.120173.700000114.7G76 Y96 A97 R98 P126G76-G100 PolarHBondContact N-O 3.42Å; Y96-G100 PolarHBondContact O-N 2.79Å; A97-G100 PolarHBondContact O-N 2.92Å; R98-G100 PolarHBondContact O-N 2.74Å; G100-P126 WeakPolarHBondContact O-CD 3.41Å; G100-P126 WeakPolarHBondContact O-CG 3.47Å
101S98.6Very high97.3Very high0 Ų030.7 Ų30.70%016%0.158CC..  trans-74.9153.7178.2-52.70000112.4L74 A77 Y96L74-S101 WeakPolarHBondContact O-CA 3.49Å; L74-S101 PolarHBondContact O-OG 3.14Å; A77-S101 CarbonylContact O-C 3.56Å; A77-S101 WeakPolarHBondContact O-CA 3.41Å; A77-S101 WeakPolarHBondContact O-CB 3.37Å; Y96-S101 WeakPolarHBondContact O-CB 3.49Å; Y96-S101 PolarHBondContact O-N 3.23Å; Y96-S101 PolarHBondContact O-OG 3.39Å
102H98.8Very high97.1Very high38 Ų3831.8 Ų31.818%0.17616%0.164CC..EExtended strand (participates in β ladder)trans-86.1127.7166.9-57.4149.7000110G76 A77 V79 K127 L152G76-H102 PolarHBondContact O-ND1 2.99Å; A77-H102 PolarHBondContact O-N 3.26Å; V79-H102 PolarHBondContact N-O 3.29Å; H102-K127 WeakPolarHBondContact CA-O 3.49Å; H102-K127 HydrophobicContact CB-CB 4.15Å; H102-L152 HydrophobicContact CB-CD2 3.8Å
103L98.8Very high97.1Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-120135.8-167-65.2171.4000112.4V79 Y96 A97 L105 C120 A125 K127 V128 F129V79-L103 HydrophobicContact CB-CD2 3.76Å; V79-L103 HydrophobicContact CG1-CD2 4.13Å; V79-L103 HydrophobicContact CG2-CD2 4.36Å; Y96-L103 HydrophobicContact CG-CD2 4.14Å; A97-L103 HydrophobicContact CB-CD1 4.11Å; L103-L105 HydrophobicContact CB-CD2 4.13Å; L103-L105 HydrophobicContact CB-CG 4.48Å; L103-C120 HydrophobicContact CD1-CB 4.4Å; L103-A125 HydrophobicContact CD1-CB 4.38Å; L103-K127 PolarHBondContact N-O 2.92Å; L103-V128 HydrophobicContact CB-CG1 4.1Å; L103-V128 HydrophobicContact CB-CG2 4.37Å; L103-V128 HydrophobicContact CD1-CG2 4.33Å; L103-V128 WeakPolarHBondContact O-CA 3.18Å; L103-F129 PolarHBondContact O-N 2.95Å
104V98.8Very high97Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-117120.8157.4172.20000107.8V79 L80 L81 F129 I131 F147 A148 K151 L152V79-V104 PolarHBondContact O-N 2.82Å; L80-V104 HydrophobicContact CD1-CB 4.11Å; L80-V104 HydrophobicContact CD1-CG1 3.75Å; L81-V104 PolarHBondContact N-O 2.9Å; V104-F129 WeakPolarHBondContact CA-O 3.43Å; V104-F129 HydrophobicContact CG2-CB 4.15Å; V104-F129 HydrophobicContact CG2-CD2 4.29Å; V104-I131 HydrophobicContact CG1-CG2 4.37Å; V104-F147 HydrophobicContact CG1-CD1 3.9Å; V104-F147 HydrophobicContact CG1-CE1 4.13Å; V104-A148 HydrophobicContact CB-CB 4.06Å; V104-A148 HydrophobicContact CG1-CB 3.95Å; V104-A148 HydrophobicContact CG2-CB 4.1Å; V104-K151 HydrophobicContact CG2-CB 4.32Å; V104-L152 HydrophobicContact CB-CD1 4.25Å; V104-L152 HydrophobicContact CG2-CD1 3.64Å; V104-L152 HydrophobicContact CG2-CD2 4.02Å; V104-L152 HydrophobicContact CG2-CG 3.64Å
105L98.8Very high97Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-107.5136.1-176.7-54.5-173.1000110.6L81 A84 A93 L103 L113 V116 V117 V128 F129 Y130 I131L81-L105 HydrophobicContact CB-CD2 3.97Å; L81-L105 HydrophobicContact CD2-CD2 4.02Å; L81-L105 HydrophobicContact CG-CD2 4.38Å; A84-L105 HydrophobicContact CB-CB 3.89Å; A84-L105 HydrophobicContact CB-CD1 4.42Å; A84-L105 HydrophobicContact CB-CD2 4.05Å; A84-L105 HydrophobicContact CB-CG 4.35Å; A93-L105 HydrophobicContact CB-CD1 4Å; A93-L105 HydrophobicContact CB-CD2 3.93Å; L103-L105 HydrophobicContact CB-CD2 4.13Å; L103-L105 HydrophobicContact CB-CG 4.48Å; L105-L113 HydrophobicContact CB-CD2 4.13Å; L105-V116 HydrophobicContact CD1-CG1 3.7Å; L105-V117 HydrophobicContact CD1-CG2 3.96Å; L105-V128 HydrophobicContact CD1-CG1 4.18Å; L105-V128 HydrophobicContact CG-CG1 4.39Å; L105-F129 PolarHBondContact N-O 3.06Å; L105-Y130 CarbonylContact O-C 3.6Å; L105-Y130 WeakPolarHBondContact O-CA 3.39Å; L105-Y130 WeakPolarHBondContact O-CB 3.35Å; L105-I131 PolarHBondContact O-N 3Å
106T98.5Very high96.9Very high1 Ų140.3 Ų40.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-136.2145.9174.7-1720000113.3L81 T82 G83 A84 I131 M135 V144L81-T106 PolarHBondContact O-N 3.09Å; T82-T106 CarbonylContact C-O 3.58Å; T82-T106 HydrophobicContact CG2-CG2 3.65Å; G83-T106 PolarHBondContact N-O 3.01Å; A84-T106 PolarHBondContact N-O 2.92Å; A84-T106 VanDerWaalsContact N-O 3.14Å; T106-I131 VanDerWaalsContact CA-O 3.3Å; T106-I131 WeakPolarHBondContact CA-O 3.43Å; T106-I131 VanDerWaalsContact CB-O 3.27Å; T106-I131 WeakPolarHBondContact CB-O 3.18Å; T106-I131 PolarHBondContact OG1-O 3.38Å; T106-M135 HydrophobicContact CG2-CE 3.86Å; T106-V144 HydrophobicContact CG2-CG1 3.84Å
107A96.1Very high96.9Very high7 Ų740.5 Ų40.56%0.05820%0.204CC..EExtended strand (participates in β ladder)trans-170.5169.4174.200000108.3N85 L113 A132 A133N85-A107 HydrophobicContact CB-CB 3.54Å; A107-L113 HydrophobicContact CB-CD1 4.09Å; A107-L113 HydrophobicContact CB-CD2 3.83Å; A107-L113 HydrophobicContact CB-CG 3.96Å; A107-L113 WeakPolarHBondContact O-CD1 3.49Å; A107-A132 VanDerWaalsContact O-CA 3.27Å; A107-A132 WeakPolarHBondContact O-CA 3.37Å; A107-A133 CarbonylContact C-O 3.51Å; A107-A133 PolarHBondContact O-N 3.41Å
108H92.5Very high96.9Very high127 Ų12741.8 Ų41.859%0.58822%0.218SC*.SBendtrans-77.6-26.9-179.364.2-90.8000113.6E110 A133 D134H108-E110 PolarHBondContact O-N 3.11Å; H108-A133 WeakPolarHBondContact CA-O 3.35Å; H108-A133 PolarHBondContact N-O 3.37Å; H108-D134 HydrophobicContact CB-CB 4.49Å
109T92.8Very high96.9Very high46 Ų4638 Ų3828%0.28221%0.207SC..  trans-93101.3-177.9-34.90000111.7A111 L112 L113T109-A111 PolarHBondContact O-N 3.19Å; T109-L112 HydrophobicContact CG2-CB 4.33Å; T109-L112 HydrophobicContact CG2-CD1 3.98Å; T109-L112 HydrophobicContact CG2-CG 3.89Å; T109-L112 PolarHBondContact O-N 2.67Å; T109-L113 PolarHBondContact O-N 3.07Å
110E95.5Very high96.9Very high90 Ų9036.3 Ų36.342%0.42120%0.198SC..Hα-helixtrans-60.6-46.8-176.7-175.4170.5-169.200113.6H108 L112 L113 Q114 Y130 A132H108-E110 PolarHBondContact O-N 3.11Å; E110-L112 PolarHBondContact O-N 3.28Å; E110-L113 WeakPolarHBondContact O-CA 3.14Å; E110-L113 WeakPolarHBondContact O-CB 3.34Å; E110-L113 PolarHBondContact O-N 3.07Å; E110-Q114 HydrophobicContact CG-CG 4.28Å; E110-Q114 PolarHBondContact O-N 3.17Å; E110-Q114 PolarHBondContact OE1-NE2 3.37Å; E110-Y130 HydrophobicContact CG-CE2 3.74Å; E110-Y130 VanDerWaalsContact OE1-CE2 3.28Å; E110-Y130 WeakPolarHBondContact OE1-CE2 3.29Å; E110-Y130 PolarHBondContact OE1-OH 3.43Å; E110-A132 HydrophobicContact CB-CB 3.91Å; E110-A132 HydrophobicContact CG-CB 4.35Å
111A95.6Very high96.9Very high71 Ų7143 Ų4359%0.58722%0.22SC*.Hα-helixtrans-57.1-36.9-178.300000113T109 K115T109-A111 PolarHBondContact O-N 3.19Å; A111-K115 PolarHBondContact O-N 3.43Å
112L93.2Very high96.9Very high65 Ų6551.3 Ų51.334%0.3426%0.256SS..Hα-helixtrans-71.7-38.9175.5-66.8-179.7000111.6N85 T109 E110 K115 V116N85-L112 HydrophobicContact CB-CB 3.81Å; N85-L112 HydrophobicContact CB-CD1 4.29Å; T109-L112 HydrophobicContact CG2-CB 4.33Å; T109-L112 HydrophobicContact CG2-CD1 3.98Å; T109-L112 HydrophobicContact CG2-CG 3.89Å; T109-L112 PolarHBondContact O-N 2.67Å; E110-L112 PolarHBondContact O-N 3.28Å; L112-K115 WeakPolarHBondContact O-CB 3.47Å; L112-K115 PolarHBondContact O-N 3.12Å; L112-V116 WeakPolarHBondContact O-CG2 3.35Å; L112-V116 PolarHBondContact O-N 3.29Å; L112-V116 VanDerWaalsContact O-N 3.1Å
113L95.7Very high96.8Very high0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-61.4-45.4174.9-74.7172.8000111.9A84 N85 L105 A107 T109 E110 K115 V116 V117 Y130 A132A84-L113 HydrophobicContact CB-CD2 4.15Å; N85-L113 HydrophobicContact CB-CD2 4.49Å; L105-L113 HydrophobicContact CB-CD2 4.13Å; A107-L113 HydrophobicContact CB-CD1 4.09Å; A107-L113 HydrophobicContact CB-CD2 3.83Å; A107-L113 HydrophobicContact CB-CG 3.96Å; A107-L113 WeakPolarHBondContact O-CD1 3.49Å; T109-L113 PolarHBondContact O-N 3.07Å; E110-L113 WeakPolarHBondContact O-CA 3.14Å; E110-L113 WeakPolarHBondContact O-CB 3.34Å; E110-L113 PolarHBondContact O-N 3.07Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 2.98Å; L113-V116 PolarHBondContact O-N 2.84Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.3Å; L113-Y130 HydrophobicContact CB-CD2 4.24Å; L113-Y130 HydrophobicContact CB-CG 4.39Å; L113-Y130 HydrophobicContact CD1-CD2 4.27Å; L113-A132 HydrophobicContact CD1-CB 4.41Å
114Q97.3Very high96.6Very high97 Ų9754.5 Ų54.545%0.45329%0.285SS..Hα-helixtrans-57.2-41.8178.8-72.8179-9.800111.7E110 V117 G118 Y130E110-Q114 HydrophobicContact CG-CG 4.28Å; E110-Q114 PolarHBondContact O-N 3.17Å; E110-Q114 PolarHBondContact OE1-NE2 3.37Å; Q114-V117 PolarHBondContact O-N 2.81Å; Q114-G118 PolarHBondContact O-N 2.79Å; Q114-Y130 HydrophobicContact CG-CE1 3.91Å; Q114-Y130 HydrophobicContact CG-CE2 4.27Å; Q114-Y130 PolarHBondContact NE2-OH 3.1Å
115K96.9Very high96.5Very high129 Ų12955 Ų5556%0.56129%0.29SS*.Hα-helixtrans-59.7-48.8173.6-178.3-174.8174.8-1720111.7A111 L112 L113 V117 G118 N119A111-K115 PolarHBondContact O-N 3.43Å; L112-K115 WeakPolarHBondContact O-CB 3.47Å; L112-K115 PolarHBondContact O-N 3.12Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 2.98Å; K115-V117 VanDerWaalsContact C-N 3.35Å; K115-V117 PolarHBondContact O-N 3.15Å; K115-G118 PolarHBondContact O-N 2.62Å; K115-N119 PolarHBondContact O-N 3.14Å
116V97.4Very high96.4Very high1 Ų158.9 Ų58.91%0.00632%0.315CS..Hα-helixtrans-62.5-43.1-179.9175.10000110.8E90 A93 Y94 L105 L112 L113 G118 N119 C120E90-V116 HydrophobicContact CB-CG2 4.35Å; E90-V116 HydrophobicContact CG-CG2 3.99Å; A93-V116 HydrophobicContact CB-CG1 3.77Å; Y94-V116 HydrophobicContact CD1-CG1 4.49Å; Y94-V116 HydrophobicContact CE1-CB 4.43Å; Y94-V116 HydrophobicContact CE1-CG1 3.83Å; L105-V116 HydrophobicContact CD1-CG1 3.7Å; L112-V116 WeakPolarHBondContact O-CG2 3.35Å; L112-V116 PolarHBondContact O-N 3.29Å; L112-V116 VanDerWaalsContact O-N 3.1Å; L113-V116 PolarHBondContact O-N 2.84Å; V116-G118 PolarHBondContact O-N 3.4Å; V116-N119 PolarHBondContact O-N 2.98Å; V116-C120 PolarHBondContact O-N 3.07Å; V116-C120 PolarHBondContact O-SG 3.3Å; V116-C120 VanDerWaalsContact O-SG 3.32Å
117V98Very high96.3Very high4 Ų463.8 Ų63.82%0.02434%0.336CS..Hα-helixtrans-59.4-46.2175.51700000111.7L105 L113 Q114 K115 N119 C120 R121 V128 Y130L105-V117 HydrophobicContact CD1-CG2 3.96Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.3Å; Q114-V117 PolarHBondContact O-N 2.81Å; K115-V117 VanDerWaalsContact C-N 3.35Å; K115-V117 PolarHBondContact O-N 3.15Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 2.95Å; V117-C120 PolarHBondContact O-N 2.86Å; V117-R121 WeakPolarHBondContact O-CG 3.31Å; V117-R121 PolarHBondContact O-N 2.96Å; V117-V128 HydrophobicContact CB-CG1 4.15Å; V117-V128 HydrophobicContact CG1-CB 4.21Å; V117-V128 HydrophobicContact CG1-CG1 3.84Å; V117-V128 HydrophobicContact CG2-CG1 3.88Å; V117-Y130 HydrophobicContact CG2-CD1 3.87Å; V117-Y130 HydrophobicContact CG2-CG 4.17Å
118G97.9Very high96.4Very high27 Ų2763.7 Ų63.728%0.27834%0.335SS..Hα-helixtrans-58.1-40.8176.300000112.4Q114 K115 V116 K122Q114-G118 PolarHBondContact O-N 2.79Å; K115-G118 PolarHBondContact O-N 2.62Å; V116-G118 PolarHBondContact O-N 3.4Å; G118-K122 WeakPolarHBondContact O-CG 3.22Å; G118-K122 PolarHBondContact O-N 3.03Å
119N97.9Very high96.7Very high48 Ų4860.7 Ų60.726%0.25732%0.32SS..Hα-helixtrans-70.2-42.3175.9-73.1-18.2000112.6Y94 K115 V116 V117 R121 K122 L123Y94-N119 HydrophobicContact CD1-CB 4.27Å; Y94-N119 HydrophobicContact CE1-CB 3.44Å; Y94-N119 VanDerWaalsContact CE1-CB 3.44Å; Y94-N119 PolarHBondContact OH-ND2 3.47Å; K115-N119 PolarHBondContact O-N 3.14Å; V116-N119 PolarHBondContact O-N 2.98Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 2.95Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 3.26Å; N119-K122 WeakPolarHBondContact O-CB 3.11Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-K122 VanDerWaalsContact O-N 3.14Å; N119-L123 WeakPolarHBondContact O-CB 3.49Å; N119-L123 VanDerWaalsContact O-CG 3.26Å; N119-L123 WeakPolarHBondContact O-CG 3.32Å; N119-L123 PolarHBondContact O-N 3.26Å
120C98.4Very high97Very high0 Ų061.6 Ų61.60%032%0.319CS..Hα-helixtrans-57.9-40.4175.2-71.60000111.9A93 A97 L103 V116 V117 L123 G124 A125 V128A93-C120 PolarHBondContact O-SG 3.37Å; A93-C120 VanDerWaalsContact O-SG 3.4Å; A97-C120 HydrophobicContact CB-CB 3.77Å; L103-C120 HydrophobicContact CD1-CB 4.4Å; V116-C120 PolarHBondContact O-N 3.07Å; V116-C120 PolarHBondContact O-SG 3.3Å; V116-C120 VanDerWaalsContact O-SG 3.32Å; V117-C120 PolarHBondContact O-N 2.86Å; C120-L123 PolarHBondContact O-N 3.33Å; C120-G124 PolarHBondContact O-N 3.36Å; C120-A125 HydrophobicContact CB-CB 4.34Å; C120-A125 WeakPolarHBondContact O-CB 3.47Å; C120-A125 PolarHBondContact O-N 2.78Å; C120-A125 VanDerWaalsContact O-N 3.15Å; C120-V128 HydrophobicContact CB-CG1 4.09Å; C120-V128 HydrophobicContact CB-CG2 3.88Å
121R97.9Very high97.1Very high152 Ų15258.9 Ų58.957%0.57431%0.307SS*.Hα-helixtrans-61.9-45.6174.8-70.1174.6-175.7169.32.2111.8V117 N119 L123 G124 V128V117-R121 WeakPolarHBondContact O-CG 3.31Å; V117-R121 PolarHBondContact O-N 2.96Å; N119-R121 VanDerWaalsContact C-N 3.28Å; N119-R121 PolarHBondContact O-N 3.26Å; R121-L123 PolarHBondContact O-N 3.37Å; R121-G124 PolarHBondContact O-N 3.14Å; R121-G124 VanDerWaalsContact O-N 3.15Å; R121-V128 HydrophobicContact CG-CB 4.43Å; R121-V128 HydrophobicContact CG-CG2 4.35Å; R121-V128 PolarHBondContact NH2-O 3.47Å
122K98.1Very high97.3Very high174 Ų17457.5 Ų57.576%0.75730%0.295SS*.Hα-helixtrans-62.2-29.1175.4-68.7173.8-176.8178.70113G118 N119 G124G118-K122 WeakPolarHBondContact O-CG 3.22Å; G118-K122 PolarHBondContact O-N 3.03Å; N119-K122 WeakPolarHBondContact O-CB 3.11Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-K122 VanDerWaalsContact O-N 3.14Å; K122-G124 VanDerWaalsContact C-N 3.29Å
123L97.6Very high97.4Very high56 Ų5655 Ų5529%0.29328%0.284SS..THydrogen-bonded Turntrans-82.7-0.6178.8-69.4173.2000114Y94 A97 R98 N119 C120 R121Y94-L123 HydrophobicContact CD1-CD1 3.73Å; Y94-L123 HydrophobicContact CG-CD1 3.74Å; A97-L123 HydrophobicContact CB-CB 4.04Å; R98-L123 HydrophobicContact CG-CB 4.1Å; R98-L123 HydrophobicContact CG-CD2 4.17Å; R98-L123 HydrophobicContact CG-CG 4.5Å; N119-L123 WeakPolarHBondContact O-CB 3.49Å; N119-L123 VanDerWaalsContact O-CG 3.26Å; N119-L123 WeakPolarHBondContact O-CG 3.32Å; N119-L123 PolarHBondContact O-N 3.26Å; C120-L123 PolarHBondContact O-N 3.33Å; R121-L123 PolarHBondContact O-N 3.37Å
124G94Very high97.4Very high49 Ų4958.9 Ų58.951%0.50531%0.305SS..THydrogen-bonded Turntrans99.612.2173.200000115.8C120 R121 K122 P126C120-G124 PolarHBondContact O-N 3.36Å; R121-G124 PolarHBondContact O-N 3.14Å; R121-G124 VanDerWaalsContact O-N 3.15Å; K122-G124 VanDerWaalsContact C-N 3.29Å; G124-P126 WeakPolarHBondContact O-CD 3.28Å
125A96.2Very high97.4Very high11 Ų1154.7 Ų54.79%0.09129%0.285CS..  trans-64.1124174.900000111.1A97 L103 C120 K127 V128A97-A125 HydrophobicContact CB-CB 3.71Å; A97-A125 PolarHBondContact O-N 2.93Å; L103-A125 HydrophobicContact CD1-CB 4.38Å; C120-A125 HydrophobicContact CB-CB 4.34Å; C120-A125 WeakPolarHBondContact O-CB 3.47Å; C120-A125 PolarHBondContact O-N 2.78Å; C120-A125 VanDerWaalsContact O-N 3.15Å; A125-K127 PolarHBondContact O-N 3.32Å; A125-V128 HydrophobicContact CB-CG2 3.17Å
126P96.1Very high97.3Very high81 Ų8149.6 Ų49.653%0.52627%0.267SS..SBendtrans-67.5-36-176.1-18.929.7000113.2G100 G124G100-P126 WeakPolarHBondContact O-CD 3.41Å; G100-P126 WeakPolarHBondContact O-CG 3.47Å; G124-P126 WeakPolarHBondContact O-CD 3.28Å
127K97.9Very high97.1Very high104 Ų10451.9 Ų51.945%0.45228%0.283SS..EExtended strand (participates in β ladder)trans-139.1126.4178-63-178.6-177.4178.50109.4H102 L103 A125 F129H102-K127 WeakPolarHBondContact CA-O 3.49Å; H102-K127 HydrophobicContact CB-CB 4.15Å; L103-K127 PolarHBondContact N-O 2.92Å; A125-K127 PolarHBondContact O-N 3.32Å; K127-F129 HydrophobicContact CB-CE2 3.99Å; K127-F129 HydrophobicContact CB-CZ 4.5Å
128V98.4Very high96.7Very high5 Ų555.1 Ų55.13%0.0331%0.305CS..EExtended strand (participates in β ladder)trans-140118.6176.5-168.50000110.1L103 L105 V117 C120 R121 A125L103-V128 HydrophobicContact CB-CG1 4.1Å; L103-V128 HydrophobicContact CB-CG2 4.37Å; L103-V128 HydrophobicContact CD1-CG2 4.33Å; L103-V128 WeakPolarHBondContact O-CA 3.18Å; L105-V128 HydrophobicContact CD1-CG1 4.18Å; L105-V128 HydrophobicContact CG-CG1 4.39Å; V117-V128 HydrophobicContact CB-CG1 4.15Å; V117-V128 HydrophobicContact CG1-CB 4.21Å; V117-V128 HydrophobicContact CG1-CG1 3.84Å; V117-V128 HydrophobicContact CG2-CG1 3.88Å; C120-V128 HydrophobicContact CB-CG1 4.09Å; C120-V128 HydrophobicContact CB-CG2 3.88Å; R121-V128 HydrophobicContact CG-CB 4.43Å; R121-V128 HydrophobicContact CG-CG2 4.35Å; R121-V128 PolarHBondContact NH2-O 3.47Å; A125-V128 HydrophobicContact CB-CG2 3.17Å
129F98.6Very high96.5Very high65 Ų6559.5 Ų59.529%0.28532%0.318SS..EExtended strand (participates in β ladder)trans-119.5163175.4-52-77.2000110L103 V104 L105 K127 F147 K151 L152L103-F129 PolarHBondContact O-N 2.95Å; V104-F129 WeakPolarHBondContact CA-O 3.43Å; V104-F129 HydrophobicContact CG2-CB 4.15Å; V104-F129 HydrophobicContact CG2-CD2 4.29Å; L105-F129 PolarHBondContact N-O 3.06Å; K127-F129 HydrophobicContact CB-CE2 3.99Å; K127-F129 HydrophobicContact CB-CZ 4.5Å; F129-F147 HydrophobicContact CB-CE1 4.08Å; F129-F147 HydrophobicContact CB-CZ 4.42Å; F129-K151 HydrophobicContact CD1-CD 4.25Å; F129-K151 HydrophobicContact CD2-CB 3.76Å; F129-K151 HydrophobicContact CD2-CG 4.36Å; F129-K151 HydrophobicContact CE1-CD 4.35Å; F129-K151 HydrophobicContact CE2-CB 4.01Å; F129-K151 HydrophobicContact CG-CB 4.14Å; F129-K151 HydrophobicContact CG-CD 4.43Å; F129-K151 HydrophobicContact CG-CG 4.22Å; F129-L152 HydrophobicContact CD2-CD2 4.18Å; F129-L152 HydrophobicContact CE2-CD2 4.25Å
130Y98.6Very high96.4Very high65 Ų6557.7 Ų57.726%0.25531%0.309SS..EExtended strand (participates in β ladder)trans-140.5156172.672.9-88000111.4L105 E110 L113 Q114 V117 F147L105-Y130 CarbonylContact O-C 3.6Å; L105-Y130 WeakPolarHBondContact O-CA 3.39Å; L105-Y130 WeakPolarHBondContact O-CB 3.35Å; E110-Y130 HydrophobicContact CG-CE2 3.74Å; E110-Y130 VanDerWaalsContact OE1-CE2 3.28Å; E110-Y130 WeakPolarHBondContact OE1-CE2 3.29Å; E110-Y130 PolarHBondContact OE1-OH 3.43Å; L113-Y130 HydrophobicContact CB-CD2 4.24Å; L113-Y130 HydrophobicContact CB-CG 4.39Å; L113-Y130 HydrophobicContact CD1-CD2 4.27Å; Q114-Y130 HydrophobicContact CG-CE1 3.91Å; Q114-Y130 HydrophobicContact CG-CE2 4.27Å; Q114-Y130 PolarHBondContact NE2-OH 3.1Å; V117-Y130 HydrophobicContact CG2-CD1 3.87Å; V117-Y130 HydrophobicContact CG2-CG 4.17Å; Y130-F147 WeakPolarHBondContact O-CZ 3.37Å
131I98.4Very high96.4Very high33 Ų3357.7 Ų57.717%0.16931%0.309CS..EExtended strand (participates in β ladder)trans-138.7121.7169.1178.9168.9000108.5V104 L105 T106 V144 F147V104-I131 HydrophobicContact CG1-CG2 4.37Å; L105-I131 PolarHBondContact O-N 3Å; T106-I131 VanDerWaalsContact CA-O 3.3Å; T106-I131 WeakPolarHBondContact CA-O 3.43Å; T106-I131 VanDerWaalsContact CB-O 3.27Å; T106-I131 WeakPolarHBondContact CB-O 3.18Å; T106-I131 PolarHBondContact OG1-O 3.38Å; I131-V144 HydrophobicContact CD1-CG2 4.36Å; I131-V144 HydrophobicContact CG2-CG1 4.39Å; I131-V144 HydrophobicContact CG2-CG2 4.03Å; I131-F147 HydrophobicContact CB-CD1 3.9Å; I131-F147 HydrophobicContact CB-CE1 4.06Å; I131-F147 HydrophobicContact CB-CG 4.22Å; I131-F147 HydrophobicContact CD1-CB 3.9Å; I131-F147 HydrophobicContact CD1-CD2 4.3Å; I131-F147 HydrophobicContact CD1-CG 4Å; I131-F147 HydrophobicContact CG2-CD1 3.83Å; I131-F147 HydrophobicContact CG2-CE1 4.3Å; I131-F147 HydrophobicContact CG2-CG 4.36Å
132A98Very high96.4Very high42 Ų4256.3 Ų56.335%0.34731%0.31SS..EExtended strand (participates in β ladder)trans-77.8125.7174.100000109.3A107 E110 L113A107-A132 VanDerWaalsContact O-CA 3.27Å; A107-A132 WeakPolarHBondContact O-CA 3.37Å; E110-A132 HydrophobicContact CB-CB 3.91Å; E110-A132 HydrophobicContact CG-CB 4.35Å; L113-A132 HydrophobicContact CD1-CB 4.41Å
133A96.9Very high96.4Very high13 Ų1350.7 Ų50.711%0.10729%0.292CS..  trans-153.2140.2-177.200000111.1A107 H108 M135 A140 V144A107-A133 CarbonylContact C-O 3.51Å; A107-A133 PolarHBondContact O-N 3.41Å; H108-A133 WeakPolarHBondContact CA-O 3.35Å; H108-A133 PolarHBondContact N-O 3.37Å; A133-M135 HydrophobicContact CB-CE 4.4Å; A133-A140 HydrophobicContact CB-CB 4.19Å; A133-V144 HydrophobicContact CB-CG2 3.52Å
134D95.6Very high96.5Very high81 Ų8148 Ų4843%0.43328%0.278SS..  trans-95.3114.6171.3-172.6-1.3000110.1H108 A136 S137 A140H108-D134 HydrophobicContact CB-CB 4.49Å; D134-A136 PolarHBondContact O-N 2.61Å; D134-A136 VanDerWaalsContact O-N 3.14Å; D134-A136 WeakPolarHBondContact OD1-CB 3.21Å; D134-A136 PolarHBondContact OD1-N 2.82Å; D134-S137 WeakPolarHBondContact O-CB 3.34Å; D134-S137 PolarHBondContact O-N 3.23Å; D134-A140 WeakPolarHBondContact O-CB 3.39Å
135M96.8Very high96.7Very high9 Ų945.7 Ų45.74%0.04425%0.254CS..THydrogen-bonded Turntrans-71.1-3.1179.6-63.4-69.6161.800113.1T106 A133 S137 P141 V144 H162 V184 L192T106-M135 HydrophobicContact CG2-CE 3.86Å; A133-M135 HydrophobicContact CB-CE 4.4Å; M135-S137 VanDerWaalsContact C-N 3.32Å; M135-P141 HydrophobicContact SD-CG 4.05Å; M135-V144 HydrophobicContact CE-CB 4.35Å; M135-V144 HydrophobicContact CE-CG1 4.25Å; M135-V144 HydrophobicContact CE-CG2 3.85Å; M135-H162 WeakPolarHBondContact CB-NE2 3.45Å; M135-H162 WeakPolarHBondContact CG-NE2 3.48Å; M135-V184 HydrophobicContact CB-CG1 4.25Å; M135-L192 HydrophobicContact SD-CD1 4.16Å
136A93.9Very high96.8Very high21 Ų2148.3 Ų48.317%0.17426%0.264CS..THydrogen-bonded Turntrans-74.5-24165.500000112.5D134 W180 V184D134-A136 PolarHBondContact O-N 2.61Å; D134-A136 VanDerWaalsContact O-N 3.14Å; D134-A136 WeakPolarHBondContact OD1-CB 3.21Å; D134-A136 PolarHBondContact OD1-N 2.82Å; A136-W180 HydrophobicContact CB-CZ2 4.17Å; A136-V184 HydrophobicContact CB-CG2 3.66Å
137S94.2Very high96.9Very high50 Ų5047 Ų4735%0.3525%0.25SS..SBendtrans-74.8130.5175.7-153.20000110.1D134 M135 E139 A140 P141D134-S137 WeakPolarHBondContact O-CB 3.34Å; D134-S137 PolarHBondContact O-N 3.23Å; M135-S137 VanDerWaalsContact C-N 3.32Å; S137-E139 PolarHBondContact O-N 2.93Å; S137-E139 PolarHBondContact OG-OE2 2.96Å; S137-A140 PolarHBondContact O-N 3.14Å; S137-P141 WeakPolarHBondContact O-CD 3.33Å
138P89.5Confident97Very high72 Ų7242 Ų4247%0.46823%0.229SC..SBendtrans-59.1-29.8178.8-25.734.7000115Q191P138-Q191 PolarHBondContact O-NE2 3.22Å; P138-Q191 VanDerWaalsContact O-NE2 3.09Å
139E93.6Very high97Very high119 Ų11943.1 Ų43.156%0.55624%0.235SC*.SBendtrans-91.1-23.2-173.1-50.573.2-159.300112.5S137 E142 S143S137-E139 PolarHBondContact O-N 2.93Å; S137-E139 PolarHBondContact OG-OE2 2.96Å; E139-E142 PolarHBondContact O-N 3.24Å; E139-S143 PolarHBondContact O-N 3.07Å
140A96.7Very high97Very high10 Ų1045.3 Ų45.38%0.08325%0.249CC..Hα-helixtrans-57-46.2-175.400000113.3A133 D134 S137 E142 S143 V144A133-A140 HydrophobicContact CB-CB 4.19Å; D134-A140 WeakPolarHBondContact O-CB 3.39Å; S137-A140 PolarHBondContact O-N 3.14Å; A140-E142 VanDerWaalsContact C-N 3.28Å; A140-E142 PolarHBondContact O-N 2.8Å; A140-S143 PolarHBondContact O-N 3.31Å; A140-S143 PolarHBondContact O-OG 2.91Å; A140-V144 WeakPolarHBondContact O-CB 3.33Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.19Å; A140-V144 PolarHBondContact O-N 2.87Å
141P98.1Very high97Very high0 Ų046.9 Ų46.90%026%0.257CS..Hα-helixtrans-52.1-42.9176.7-35.443.2000114.6M135 S137 V144 V145 Q191 L192M135-P141 HydrophobicContact SD-CG 4.05Å; S137-P141 WeakPolarHBondContact O-CD 3.33Å; P141-V144 PolarHBondContact O-N 3.28Å; P141-V145 WeakPolarHBondContact O-CG2 3.27Å; P141-V145 PolarHBondContact O-N 2.84Å; P141-V145 VanDerWaalsContact O-N 3.14Å; P141-Q191 HydrophobicContact CB-CB 3.63Å; P141-Q191 HydrophobicContact CG-CB 4.07Å; P141-L192 HydrophobicContact CB-CD2 3.92Å; P141-L192 HydrophobicContact CB-CG 3.92Å; P141-L192 WeakPolarHBondContact O-CD2 3.42Å
142E97.5Very high97Very high123 Ų12346.2 Ų46.258%0.57525%0.254SS*.Hα-helixtrans-66.7-49.1-178.7-177.4171.7-17300111.1E139 A140 V144 V145 Q146E139-E142 PolarHBondContact O-N 3.24Å; A140-E142 VanDerWaalsContact C-N 3.28Å; A140-E142 PolarHBondContact O-N 2.8Å; E142-V144 VanDerWaalsContact C-N 3.25Å; E142-V144 PolarHBondContact O-N 3.06Å; E142-V145 PolarHBondContact O-N 3.01Å; E142-Q146 WeakPolarHBondContact O-CB 3.45Å; E142-Q146 PolarHBondContact O-N 2.71Å
143S98.2Very high97Very high56 Ų5647.1 Ų47.139%0.39227%0.267SS..Hα-helixtrans-59-37177.468.90000112.7E139 A140 F147E139-S143 PolarHBondContact O-N 3.07Å; A140-S143 PolarHBondContact O-N 3.31Å; A140-S143 PolarHBondContact O-OG 2.91Å; S143-F147 VanDerWaalsContact O-CB 3.24Å; S143-F147 WeakPolarHBondContact O-CB 3.5Å; S143-F147 PolarHBondContact O-N 3.36Å
144V98.8Very high97Very high0 Ų046.7 Ų46.70%027%0.265CS..Hα-helixtrans-67.9-45.4-179.71640000111.3L80 T106 I131 A133 M135 A140 P141 E142 A148 L192L80-V144 HydrophobicContact CD1-CG1 3.92Å; L80-V144 HydrophobicContact CD2-CG1 4.1Å; T106-V144 HydrophobicContact CG2-CG1 3.84Å; I131-V144 HydrophobicContact CD1-CG2 4.36Å; I131-V144 HydrophobicContact CG2-CG1 4.39Å; I131-V144 HydrophobicContact CG2-CG2 4.03Å; A133-V144 HydrophobicContact CB-CG2 3.52Å; M135-V144 HydrophobicContact CE-CB 4.35Å; M135-V144 HydrophobicContact CE-CG1 4.25Å; M135-V144 HydrophobicContact CE-CG2 3.85Å; A140-V144 WeakPolarHBondContact O-CB 3.33Å; A140-V144 VanDerWaalsContact O-CG2 3.29Å; A140-V144 WeakPolarHBondContact O-CG2 3.19Å; A140-V144 PolarHBondContact O-N 2.87Å; P141-V144 PolarHBondContact O-N 3.28Å; E142-V144 VanDerWaalsContact C-N 3.25Å; E142-V144 PolarHBondContact O-N 3.06Å; V144-A148 WeakPolarHBondContact O-CB 3.2Å; V144-A148 PolarHBondContact O-N 2.84Å; V144-L192 HydrophobicContact CB-CD2 4.4Å; V144-L192 HydrophobicContact CG1-CD2 4.14Å
145V98.8Very high97.2Very high0 Ų042.9 Ų42.90%024%0.244CC..Hα-helixtrans-67.8-43.7177.5176.90000110.1L80 P141 E142 F147 A148 L149 L155 L192 R195 A196L80-V145 HydrophobicContact CD2-CG2 3.99Å; P141-V145 WeakPolarHBondContact O-CG2 3.27Å; P141-V145 PolarHBondContact O-N 2.84Å; P141-V145 VanDerWaalsContact O-N 3.14Å; E142-V145 PolarHBondContact O-N 3.01Å; V145-F147 PolarHBondContact O-N 3.04Å; V145-A148 WeakPolarHBondContact O-CB 3.38Å; V145-A148 PolarHBondContact O-N 2.94Å; V145-A148 VanDerWaalsContact O-N 3.1Å; V145-L149 HydrophobicContact CG1-CD1 3.99Å; V145-L149 HydrophobicContact CG1-CG 4.19Å; V145-L149 VanDerWaalsContact O-CG 3.32Å; V145-L149 WeakPolarHBondContact O-CG 3.42Å; V145-L149 PolarHBondContact O-N 3.3Å; V145-L155 HydrophobicContact CG1-CD1 4.43Å; V145-L192 HydrophobicContact CG2-CB 4.49Å; V145-L192 HydrophobicContact CG2-CD2 3.68Å; V145-R195 HydrophobicContact CB-CB 4.11Å; V145-R195 HydrophobicContact CB-CG 3.67Å; V145-R195 HydrophobicContact CG1-CB 4.08Å; V145-R195 HydrophobicContact CG1-CG 3.58Å; V145-R195 HydrophobicContact CG2-CB 4.22Å; V145-R195 HydrophobicContact CG2-CG 4.32Å; V145-A196 HydrophobicContact CG1-CB 3.95Å; V145-A196 HydrophobicContact CG2-CB 4.35Å
146Q98.7Very high97.3Very high65 Ų6544 Ų4430%0.30425%0.251SS..Hα-helixtrans-57.6-49.7177.4-172.760.351.800111.3E142 A148 L149 D150E142-Q146 WeakPolarHBondContact O-CB 3.45Å; E142-Q146 PolarHBondContact O-N 2.71Å; Q146-A148 PolarHBondContact O-N 2.76Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-L149 VanDerWaalsContact O-N 3.15Å; Q146-D150 PolarHBondContact NE2-OD1 3.28Å; Q146-D150 PolarHBondContact O-N 3.04Å
147F98.8Very high97.5Very high53 Ų5344 Ų4423%0.23225%0.246CC..Hα-helixtrans-56.5-40.5175.9-179.6-91.4000112.1V104 F129 Y130 I131 S143 V145 D150 K151V104-F147 HydrophobicContact CG1-CD1 3.9Å; V104-F147 HydrophobicContact CG1-CE1 4.13Å; F129-F147 HydrophobicContact CB-CE1 4.08Å; F129-F147 HydrophobicContact CB-CZ 4.42Å; Y130-F147 WeakPolarHBondContact O-CZ 3.37Å; I131-F147 HydrophobicContact CB-CD1 3.9Å; I131-F147 HydrophobicContact CB-CE1 4.06Å; I131-F147 HydrophobicContact CB-CG 4.22Å; I131-F147 HydrophobicContact CD1-CB 3.9Å; I131-F147 HydrophobicContact CD1-CD2 4.3Å; I131-F147 HydrophobicContact CD1-CG 4Å; I131-F147 HydrophobicContact CG2-CD1 3.83Å; I131-F147 HydrophobicContact CG2-CE1 4.3Å; I131-F147 HydrophobicContact CG2-CG 4.36Å; S143-F147 VanDerWaalsContact O-CB 3.24Å; S143-F147 WeakPolarHBondContact O-CB 3.5Å; S143-F147 PolarHBondContact O-N 3.36Å; V145-F147 PolarHBondContact O-N 3.04Å; F147-D150 PolarHBondContact O-N 2.85Å; F147-K151 HydrophobicContact CD1-CG 4.16Å; F147-K151 HydrophobicContact CD2-CG 4.46Å; F147-K151 HydrophobicContact CE1-CG 3.83Å; F147-K151 HydrophobicContact CE2-CG 4.16Å; F147-K151 HydrophobicContact CG-CG 4.47Å; F147-K151 HydrophobicContact CZ-CD 4.38Å; F147-K151 HydrophobicContact CZ-CG 3.84Å; F147-K151 WeakPolarHBondContact O-CB 3.5Å; F147-K151 VanDerWaalsContact O-CG 3.26Å; F147-K151 WeakPolarHBondContact O-CG 3.32Å; F147-K151 PolarHBondContact O-N 3.13Å
148A98.8Very high97.7Very high0 Ų041.7 Ų41.70%023%0.23CC..Hα-helixtrans-67-42.8178.600000112.5L80 V104 V144 V145 Q146 D150 K151 L152 L155L80-A148 HydrophobicContact CB-CB 4.23Å; L80-A148 HydrophobicContact CD1-CB 4.09Å; L80-A148 HydrophobicContact CD2-CB 3.89Å; L80-A148 HydrophobicContact CG-CB 4.29Å; V104-A148 HydrophobicContact CB-CB 4.06Å; V104-A148 HydrophobicContact CG1-CB 3.95Å; V104-A148 HydrophobicContact CG2-CB 4.1Å; V144-A148 WeakPolarHBondContact O-CB 3.2Å; V144-A148 PolarHBondContact O-N 2.84Å; V145-A148 WeakPolarHBondContact O-CB 3.38Å; V145-A148 PolarHBondContact O-N 2.94Å; V145-A148 VanDerWaalsContact O-N 3.1Å; Q146-A148 PolarHBondContact O-N 2.76Å; A148-D150 VanDerWaalsContact C-N 3.35Å; A148-K151 PolarHBondContact O-N 3.35Å; A148-L152 VanDerWaalsContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.48Å; A148-L152 PolarHBondContact O-N 3.43Å; A148-L155 HydrophobicContact CB-CD2 4.2Å
149L98.7Very high98.2Very high29 Ų2938.2 Ų38.215%0.15221%0.207CC..Hα-helixtrans-60.9-44.7176-66.1173.4000111V145 Q146 K151 G153 G154 L155V145-L149 HydrophobicContact CG1-CD1 3.99Å; V145-L149 HydrophobicContact CG1-CG 4.19Å; V145-L149 VanDerWaalsContact O-CG 3.32Å; V145-L149 WeakPolarHBondContact O-CG 3.42Å; V145-L149 PolarHBondContact O-N 3.3Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-L149 VanDerWaalsContact O-N 3.15Å; L149-K151 PolarHBondContact O-N 3Å; L149-G153 VanDerWaalsContact O-CA 3.24Å; L149-G153 WeakPolarHBondContact O-CA 3.38Å; L149-G153 PolarHBondContact O-N 2.72Å; L149-G154 PolarHBondContact O-N 2.89Å; L149-L155 HydrophobicContact CD2-CD1 4.12Å; L149-L155 HydrophobicContact CD2-CG 3.98Å
150D98.6Very high98.4Very high111 Ų11132.6 Ų32.659%0.59418%0.181SC*.Hα-helixtrans-66-38.9-179.3-62.3-19.9000112.3Q146 F147 A148Q146-D150 PolarHBondContact NE2-OD1 3.28Å; Q146-D150 PolarHBondContact O-N 3.04Å; F147-D150 PolarHBondContact O-N 2.85Å; A148-D150 VanDerWaalsContact C-N 3.35Å
151K98.5Very high98.4Very high97 Ų9732.5 Ų32.542%0.42218%0.179SC..Hα-helixtrans-81.1-33.1-177.8-66.7-60.9178.7-168.90113.7V104 F129 F147 A148 L149V104-K151 HydrophobicContact CG2-CB 4.32Å; F129-K151 HydrophobicContact CD1-CD 4.25Å; F129-K151 HydrophobicContact CD2-CB 3.76Å; F129-K151 HydrophobicContact CD2-CG 4.36Å; F129-K151 HydrophobicContact CE1-CD 4.35Å; F129-K151 HydrophobicContact CE2-CB 4.01Å; F129-K151 HydrophobicContact CG-CB 4.14Å; F129-K151 HydrophobicContact CG-CD 4.43Å; F129-K151 HydrophobicContact CG-CG 4.22Å; F147-K151 HydrophobicContact CD1-CG 4.16Å; F147-K151 HydrophobicContact CD2-CG 4.46Å; F147-K151 HydrophobicContact CE1-CG 3.83Å; F147-K151 HydrophobicContact CE2-CG 4.16Å; F147-K151 HydrophobicContact CG-CG 4.47Å; F147-K151 HydrophobicContact CZ-CD 4.38Å; F147-K151 HydrophobicContact CZ-CG 3.84Å; F147-K151 WeakPolarHBondContact O-CB 3.5Å; F147-K151 VanDerWaalsContact O-CG 3.26Å; F147-K151 WeakPolarHBondContact O-CG 3.32Å; F147-K151 PolarHBondContact O-N 3.13Å; A148-K151 PolarHBondContact O-N 3.35Å; L149-K151 PolarHBondContact O-N 3Å
152L98.4Very high98.3Very high19 Ų1933.1 Ų33.110%0.09918%0.182CC..Hα-helixtrans-102.5-15.1-174.6-58.4-177.5000113.4R78 H102 V104 F129 A148 G154 L155R78-L152 HydrophobicContact CB-CB 4.09Å; R78-L152 HydrophobicContact CB-CD1 4.02Å; R78-L152 VanDerWaalsContact CD-O 3.23Å; R78-L152 WeakPolarHBondContact CD-O 3.34Å; R78-L152 HydrophobicContact CG-CB 4.12Å; H102-L152 HydrophobicContact CB-CD2 3.8Å; V104-L152 HydrophobicContact CB-CD1 4.25Å; V104-L152 HydrophobicContact CG2-CD1 3.64Å; V104-L152 HydrophobicContact CG2-CD2 4.02Å; V104-L152 HydrophobicContact CG2-CG 3.64Å; F129-L152 HydrophobicContact CD2-CD2 4.18Å; F129-L152 HydrophobicContact CE2-CD2 4.25Å; A148-L152 VanDerWaalsContact O-CB 3.26Å; A148-L152 WeakPolarHBondContact O-CB 3.37Å; A148-L152 WeakPolarHBondContact O-CG 3.48Å; A148-L152 PolarHBondContact O-N 3.43Å; L152-G154 VanDerWaalsContact C-N 3.32Å; L152-G154 WeakPolarHBondContact CB-O 3.23Å; L152-L155 HydrophobicContact CD1-CD2 4.04Å
153G97.9Very high98Very high61 Ų6131.8 Ų31.863%0.62918%0.178SC*.THydrogen-bonded Turntrans72.324.9-174.200000113.2R78 L149R78-G153 PolarHBondContact NH1-O 3.28Å; L149-G153 VanDerWaalsContact O-CA 3.24Å; L149-G153 WeakPolarHBondContact O-CA 3.38Å; L149-G153 PolarHBondContact O-N 2.72Å
154G98Very high97.2Very high5 Ų530 Ų305%0.05217%0.168CC..SBendtrans128.2-177.1-177.400000113.1R78 L149 L152 S199R78-G154 WeakPolarHBondContact CB-O 3.36Å; R78-G154 WeakPolarHBondContact CD-O 3.28Å; L149-G154 PolarHBondContact O-N 2.89Å; L152-G154 VanDerWaalsContact C-N 3.32Å; L152-G154 WeakPolarHBondContact CB-O 3.23Å; G154-S199 WeakPolarHBondContact CA-OG 3.49Å
155L98.6Very high96.1Very high0 Ų032.8 Ų32.80%020%0.196CC..  trans-134.7135.6-174.2-69.2174.4000112.2L80 V145 A148 L149 L152 A196 S199 L200 S203L80-L155 HydrophobicContact CB-CD1 4.37Å; L80-L155 HydrophobicContact CB-CD2 3.76Å; L80-L155 HydrophobicContact CD2-CD1 4.36Å; V145-L155 HydrophobicContact CG1-CD1 4.43Å; A148-L155 HydrophobicContact CB-CD2 4.2Å; L149-L155 HydrophobicContact CD2-CD1 4.12Å; L149-L155 HydrophobicContact CD2-CG 3.98Å; L152-L155 HydrophobicContact CD1-CD2 4.04Å; L155-A196 HydrophobicContact CD1-CB 4.01Å; L155-S199 PolarHBondContact N-OG 3.03Å; L155-L200 HydrophobicContact CB-CD2 4.18Å; L155-S203 VanDerWaalsContact O-CB 3.32Å; L155-S203 WeakPolarHBondContact O-CB 3.4Å; L155-S203 PolarHBondContact O-OG 3.41Å
156D98.8Very high94.5Very high34 Ų3434.7 Ų34.718%0.18221%0.212CC..SBendtrans-104.7-30.1169.8-52.2-53000110.5R78 S203 G205 S206R78-D156 WeakPolarHBondContact CB-OD2 3.33Å; R78-D156 WeakPolarHBondContact CG-OD2 3.21Å; R78-D156 IonicContact CZ-OD1 3.52Å; R78-D156 IonicContact CZ-OD2 3.81Å; R78-D156 PolarHBondContact N-OD2 2.97Å; R78-D156 IonicContact NE-OD1 3.46Å; R78-D156 PolarHBondContact NE-OD1 3.04Å; R78-D156 IonicContact NE-OD2 2.96Å; R78-D156 PolarHBondContact NE-OD2 3.18Å; R78-D156 IonicContact NH2-OD1 3.2Å; R78-D156 PolarHBondContact NH2-OD1 3.16Å; R78-D156 IonicContact NH2-OD2 3.78Å; R78-D156 PolarHBondContact O-N 3.24Å; D156-S203 WeakPolarHBondContact OD1-CB 3.42Å; D156-G205 CarbonylContact O-C 3.58Å; D156-G205 WeakPolarHBondContact O-CA 3.48Å; D156-S206 PolarHBondContact O-N 3.31Å
157Y98.9Very high93.3Very high21 Ų2134.3 Ų34.38%0.08222%0.215CC..EExtended strand (participates in β ladder)trans-133.8132178-65.1-98.6000112.2L74 A77 R78 V79 L80 S206L74-Y157 HydrophobicContact CD2-CD2 4.31Å; L74-Y157 HydrophobicContact CD2-CE1 4.15Å; L74-Y157 HydrophobicContact CD2-CE2 3.59Å; L74-Y157 VanDerWaalsContact CD2-CZ 3.5Å; A77-Y157 HydrophobicContact CB-CD2 4.09Å; A77-Y157 HydrophobicContact CB-CE2 3.92Å; R78-Y157 PolarHBondContact O-N 2.97Å; V79-Y157 WeakPolarHBondContact CA-O 3.45Å; V79-Y157 HydrophobicContact CG2-CD2 4.14Å; V79-Y157 HydrophobicContact CG2-CG 4.36Å; L80-Y157 PolarHBondContact N-O 3.37Å; Y157-S206 VanDerWaalsContact CA-O 3.31Å; Y157-S206 WeakPolarHBondContact CA-O 3.24Å
158L98.9Very high91.8Very high0 Ų037 Ų370%025%0.248CC..EExtended strand (participates in β ladder)trans-112.5112.8164.1174.557.1000109.1L80 L160 L192 A196 L200 S206 L207 V208L80-L158 HydrophobicContact CB-CD1 4.15Å; L80-L158 HydrophobicContact CD2-CD1 3.76Å; L80-L158 HydrophobicContact CG-CD1 3.84Å; L158-L160 HydrophobicContact CD1-CD2 3.67Å; L158-L160 HydrophobicContact CD1-CG 4.46Å; L158-L160 HydrophobicContact CD2-CD2 4.01Å; L158-L160 HydrophobicContact CD2-CG 4.41Å; L158-L160 HydrophobicContact CG-CD2 3.72Å; L158-L160 HydrophobicContact CG-CG 4.04Å; L158-L192 HydrophobicContact CD2-CB 4.32Å; L158-A196 HydrophobicContact CD2-CB 3.63Å; L158-L200 HydrophobicContact CB-CD1 4.01Å; L158-S206 PolarHBondContact N-O 3.42Å; L158-S206 VanDerWaalsContact N-O 3.07Å; L158-L207 HydrophobicContact CB-CD1 3.84Å; L158-L207 HydrophobicContact CD2-CD1 3.65Å; L158-L207 HydrophobicContact CG-CD1 3.69Å; L158-V208 PolarHBondContact O-N 3.43Å
159V98.8Very high90.1Very high0 Ų041.3 Ų41.30%029%0.292CS..EExtended strand (participates in β ladder)trans-107.4103.5-178-171.10000110.3V79 L80 L81 T82 L92 Y96 N161 V208V79-V159 HydrophobicContact CG1-CG2 3.97Å; L80-V159 PolarHBondContact O-N 3.29Å; L81-V159 HydrophobicContact CD1-CB 3.67Å; L81-V159 HydrophobicContact CD1-CG1 3.5Å; T82-V159 PolarHBondContact N-O 3.46Å; T82-V159 PolarHBondContact OG1-O 3.2Å; T82-V159 VanDerWaalsContact OG1-O 3.06Å; L92-V159 HydrophobicContact CD1-CG1 4.13Å; Y96-V159 HydrophobicContact CE2-CG2 4.04Å; V159-N161 PolarHBondContact O-N 3.37Å; V159-V208 HydrophobicContact CG1-CB 4.28Å; V159-V208 HydrophobicContact CG1-CG1 4.35Å; V159-V208 HydrophobicContact CG2-CB 4.25Å; V159-V208 HydrophobicContact CG2-CG2 4.48Å
160L98.7Very high88.6Confident0 Ų042.1 Ų42.10%030%0.298CS..EExtended strand (participates in β ladder)trans-91.393.1-178.2-54.4-178.8000110.4T82 L158 Y189 L192 L207 V208 V209 V210 F236T82-L160 HydrophobicContact CG2-CD2 4.35Å; T82-L160 WeakPolarHBondContact OG1-CA 3.26Å; L158-L160 HydrophobicContact CD1-CD2 3.67Å; L158-L160 HydrophobicContact CD1-CG 4.46Å; L158-L160 HydrophobicContact CD2-CD2 4.01Å; L158-L160 HydrophobicContact CD2-CG 4.41Å; L158-L160 HydrophobicContact CG-CD2 3.72Å; L158-L160 HydrophobicContact CG-CG 4.04Å; L160-Y189 HydrophobicContact CB-CD2 3.35Å; L160-Y189 HydrophobicContact CB-CE1 4.47Å; L160-Y189 HydrophobicContact CB-CE2 3.19Å; L160-Y189 HydrophobicContact CB-CG 4.07Å; L160-Y189 HydrophobicContact CD1-CD2 3.51Å; L160-Y189 HydrophobicContact CD1-CE2 4.26Å; L160-Y189 HydrophobicContact CD1-CG 3.87Å; L160-Y189 HydrophobicContact CG-CD2 4.03Å; L160-Y189 HydrophobicContact CG-CE2 4.33Å; L160-Y189 HydrophobicContact CG-CG 4.47Å; L160-Y189 VanDerWaalsContact O-CE2 3.25Å; L160-Y189 WeakPolarHBondContact O-CE2 3.27Å; L160-Y189 PolarHBondContact O-OH 2.85Å; L160-L192 HydrophobicContact CD2-CB 3.88Å; L160-L192 HydrophobicContact CD2-CD1 3.47Å; L160-L192 VanDerWaalsContact CD2-CD1 3.47Å; L160-L192 HydrophobicContact CD2-CG 4.32Å; L160-L207 HydrophobicContact CD1-CD1 3.86Å; L160-L207 HydrophobicContact CG-CD1 4.1Å; L160-V208 PolarHBondContact N-O 3.23Å; L160-V209 HydrophobicContact CD1-CG2 4.38Å; L160-V210 WeakPolarHBondContact O-CB 3.44Å; L160-V210 PolarHBondContact O-N 2.94Å; L160-F236 HydrophobicContact CD1-CZ 3.93Å
161N97Very high87.2Confident8 Ų847 Ų474%0.04331%0.308CS..  trans-121.4-15.8-174.5162.884.1000115.1L81 T82 G83 G89 L92 V159 Y189 V210L81-N161 HydrophobicContact CD1-CB 4.35Å; T82-N161 WeakPolarHBondContact O-CB 3.49Å; T82-N161 PolarHBondContact O-ND2 3.48Å; T82-N161 VanDerWaalsContact O-ND2 3.1Å; T82-N161 PolarHBondContact OG1-N 3.34Å; G83-N161 PolarHBondContact O-ND2 3.47Å; G89-N161 WeakPolarHBondContact CA-ND2 3.47Å; L92-N161 HydrophobicContact CD1-CB 4.27Å; V159-N161 PolarHBondContact O-N 3.37Å; N161-Y189 VanDerWaalsContact C-OH 3.29Å; N161-Y189 WeakPolarHBondContact CA-OH 3.11Å; N161-Y189 PolarHBondContact N-OH 2.81Å; N161-V210 HydrophobicContact CB-CB 4.09Å; N161-V210 HydrophobicContact CB-CG2 3.78Å
162H95.1Very high85.9Confident13 Ų1345.8 Ų45.86%0.0632%0.316CS..  trans-58.1144.6-178.965.5-83.8000113.1T82 M135 V184 S188 Y189T82-H162 VanDerWaalsContact CB-ND1 3.27Å; T82-H162 WeakPolarHBondContact CB-ND1 3.41Å; T82-H162 PolarHBondContact O-N 2.95Å; T82-H162 PolarHBondContact OG1-N 3.18Å; T82-H162 PolarHBondContact OG1-ND1 3.36Å; M135-H162 WeakPolarHBondContact CB-NE2 3.45Å; M135-H162 WeakPolarHBondContact CG-NE2 3.48Å; H162-V184 PolarHBondContact CD2-O 3.26Å; H162-V184 VanDerWaalsContact CD2-O 3.27Å; H162-V184 PolarHBondContact NE2-O 3.48Å; H162-S188 PolarHBondContact NE2-OG 2.89Å; H162-Y189 AromaticContact CD2-CE1 3.82Å; H162-Y189 AromaticContact CE1-CD1 3.38Å; H162-Y189 WeakPolarHBondContact CE1-CD1 3.28Å; H162-Y189 AromaticContact CE1-CE1 3.19Å; H162-Y189 WeakPolarHBondContact CE1-CE1 3.34Å; H162-Y189 AromaticContact CG-CE1 3.94Å; H162-Y189 PolarHBondContact N-OH 3.18Å; H162-Y189 AromaticContact ND1-CE1 3.56Å; H162-Y189 AromaticContact NE2-CD1 3.55Å; H162-Y189 AromaticContact NE2-CE1 3.37Å; H162-Y189 WeakPolarHBondContact NE2-CE1 3.48Å; H162-Y189 PolarHBondContact O-OH 3.4Å
163I90.4Very high85.1Confident96 Ų9651.1 Ų51.149%0.49234%0.335SS..  trans-134.6138.8172.859.4172.2000109N185I163-N185 WeakPolarHBondContact CA-OD1 3.43Å
164G82Confident84.5Confident17 Ų1749 Ų4918%0.17531%0.31CS..  trans-93.6150.9172.400000112.6W180 L181 N185G164-W180 VanDerWaalsContact CA-CH2 3.48Å; G164-L181 VanDerWaalsContact O-CD2 3.26Å; G164-L181 WeakPolarHBondContact O-CD2 3.31Å; G164-N185 PolarHBondContact N-OD1 3.06Å
165G75Confident84Confident59 Ų5953.2 Ų53.261%0.60834%0.337SS*.  trans-110.4132.4158.500000108.9W180G165-W180 WeakPolarHBondContact O-CH2 3.37Å; G165-W180 WeakPolarHBondContact O-CZ3 3.3Å
166A66.5Low83.6Confident40 Ų4058.8 Ų58.833%0.33136%0.363SS..PPolyproline II helixtrans-52.3143.8-176.700000111.4A177 W180A166-A177 HydrophobicContact CB-CB 4.05Å; A166-W180 HydrophobicContact CB-CE3 4.45Å
167P72.9Confident83Confident57 Ų5757.3 Ų57.337%0.3736%0.356SS..PPolyproline II helixtrans-55.7146.8-176.5-25.634.3000112.4G169 T170 W180P167-G169 PolarHBondContact O-N 3.2Å; P167-T170 VanDerWaalsContact O-CB 3.27Å; P167-T170 WeakPolarHBondContact O-CB 3.31Å; P167-T170 PolarHBondContact O-N 3.35Å; P167-T170 VanDerWaalsContact O-N 3.07Å; P167-T170 PolarHBondContact O-OG1 3.48Å; P167-W180 HydrophobicContact CG-CD2 4.23Å; P167-W180 HydrophobicContact CG-CG 4.19Å; P167-W180 HydrophobicContact CG-CZ2 4.5Å
168A67.8Low82.6Confident111 Ų11158.4 Ų58.492%0.91736%0.364SS*.THydrogen-bonded Turntrans-52.8140.4176.300000111.1T170A168-T170 VanDerWaalsContact C-N 3.28Å; A168-T170 PolarHBondContact O-N 2.9Å
169G62.3Low82.3Confident89 Ų8967.1 Ų67.192%0.91840%0.397SS*.THydrogen-bonded Turntrans83.5-8.8-175.700000115P167 R171P167-G169 PolarHBondContact O-N 3.2Å; G169-R171 PolarHBondContact O-N 2.84Å
170T67.7Low81.9Confident46 Ų4670 Ų7028%0.28241%0.408SS..PPolyproline II helixtrans-78.1123.1174-46.10000110.6P167 A168 A172 S174 Q176 A177P167-T170 VanDerWaalsContact O-CB 3.27Å; P167-T170 WeakPolarHBondContact O-CB 3.31Å; P167-T170 PolarHBondContact O-N 3.35Å; P167-T170 VanDerWaalsContact O-N 3.07Å; P167-T170 PolarHBondContact O-OG1 3.48Å; A168-T170 VanDerWaalsContact C-N 3.28Å; A168-T170 PolarHBondContact O-N 2.9Å; T170-A172 PolarHBondContact O-N 3.39Å; T170-S174 WeakPolarHBondContact CG2-OG 2.95Å; T170-Q176 HydrophobicContact CG2-CB 4.26Å; T170-A177 HydrophobicContact CG2-CB 3.62Å
171R70.1Confident81.6Confident214 Ų21470.8 Ų70.881%0.80841%0.412SS*.PPolyproline II helixtrans-59.7128.8175.2-175175.8179.41621.7110.3G169 R173 S174G169-R171 PolarHBondContact O-N 2.84Å; R171-R173 PolarHBondContact O-N 2.88Å; R171-S174 VanDerWaalsContact O-CB 3.24Å; R171-S174 WeakPolarHBondContact O-CB 3.33Å; R171-S174 PolarHBondContact O-N 3.41Å; R171-S174 PolarHBondContact O-OG 3.35Å
172A70.6Confident81.5Confident71 Ų7172.7 Ų72.759%0.58742%0.422SS*.THydrogen-bonded Turntrans-53.9133.6174.400000110.3T170 S174T170-A172 PolarHBondContact O-N 3.39Å; A172-S174 PolarHBondContact O-N 3.36Å
173R80.5Confident81.5Confident131 Ų13174.1 Ų74.149%0.49443%0.428SS..THydrogen-bonded Turntrans67.812.6-178.1-45.9176.5-168.410118.4115.5R171 F221R171-R173 PolarHBondContact O-N 2.88Å; R173-F221 VanDerWaalsContact NH2-CA 3.26Å; R173-F221 PolarHBondContact NH2-O 2.84Å
174S85.7Confident81.8Confident17 Ų1769.8 Ų69.812%0.11941%0.406CS..  trans-67156168.360.60000111.7T170 R171 A172 Q176 A177 T178T170-S174 WeakPolarHBondContact CG2-OG 2.95Å; R171-S174 VanDerWaalsContact O-CB 3.24Å; R171-S174 WeakPolarHBondContact O-CB 3.33Å; R171-S174 PolarHBondContact O-N 3.41Å; R171-S174 PolarHBondContact O-OG 3.35Å; A172-S174 PolarHBondContact O-N 3.36Å; S174-Q176 PolarHBondContact O-N 3.07Å; S174-A177 PolarHBondContact O-N 3.03Å; S174-A177 WeakPolarHBondContact OG-CB 3.47Å; S174-A177 PolarHBondContact OG-N 2.8Å; S174-A177 VanDerWaalsContact OG-N 3.09Å; S174-T178 WeakPolarHBondContact O-CB 3.43Å; S174-T178 PolarHBondContact O-N 3.43Å; S174-T178 PolarHBondContact O-OG1 2.73Å
175P88.8Confident82.4Confident93 Ų9369 Ų6960%0.60440%0.398SS*.Hα-helixtrans-55.1-35.8170.4-26.735.5000112.8T178 R179P175-T178 PolarHBondContact O-N 3.17Å; P175-R179 WeakPolarHBondContact O-CB 3.25Å; P175-R179 PolarHBondContact O-N 2.88Å
176Q88.3Confident83.5Confident117 Ų11768 Ų6855%0.54738%0.377SS..Hα-helixtrans-66.4-49.9178.3-65.278.9-0.200111.4T170 S174 T178 R179 W180T170-Q176 HydrophobicContact CG2-CB 4.26Å; S174-Q176 PolarHBondContact O-N 3.07Å; Q176-T178 PolarHBondContact O-N 2.9Å; Q176-R179 PolarHBondContact O-N 3.19Å; Q176-W180 WeakPolarHBondContact O-CB 3.22Å; Q176-W180 PolarHBondContact O-N 3.41Å
177A86.4Confident85Confident4 Ų468.4 Ų68.43%0.03338%0.375CS..Hα-helixtrans-57.8-37.9173.400000111.4A166 T170 S174 L181A166-A177 HydrophobicContact CB-CB 4.05Å; T170-A177 HydrophobicContact CG2-CB 3.62Å; S174-A177 PolarHBondContact O-N 3.03Å; S174-A177 WeakPolarHBondContact OG-CB 3.47Å; S174-A177 PolarHBondContact OG-N 2.8Å; S174-A177 VanDerWaalsContact OG-N 3.09Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 WeakPolarHBondContact O-CG 3.37Å; A177-L181 PolarHBondContact O-N 2.99Å
178T90.4Very high86.2Confident43 Ų4365.7 Ų65.726%0.26436%0.358SS..Hα-helixtrans-67.7-49179.6-55.10000111.6S174 P175 Q176 W180 L181 M182 P224S174-T178 WeakPolarHBondContact O-CB 3.43Å; S174-T178 PolarHBondContact O-N 3.43Å; S174-T178 PolarHBondContact O-OG1 2.73Å; P175-T178 PolarHBondContact O-N 3.17Å; Q176-T178 PolarHBondContact O-N 2.9Å; T178-W180 VanDerWaalsContact C-N 3.33Å; T178-W180 PolarHBondContact O-N 2.88Å; T178-L181 PolarHBondContact O-N 2.96Å; T178-M182 HydrophobicContact CG2-CG 4.39Å; T178-M182 WeakPolarHBondContact O-CB 3.32Å; T178-M182 VanDerWaalsContact O-CG 3.23Å; T178-M182 WeakPolarHBondContact O-CG 3.36Å; T178-M182 PolarHBondContact O-N 2.87Å; T178-P224 HydrophobicContact CG2-CB 4.23Å
179R92.3Very high87.7Confident183 Ų18360.4 Ų60.469%0.69131%0.314SS*.Hα-helixtrans-58.6-46.1176.1-175.3-179.5-65.8135.3-1.3111.4P175 Q176 M182 Q183P175-R179 WeakPolarHBondContact O-CB 3.25Å; P175-R179 PolarHBondContact O-N 2.88Å; Q176-R179 PolarHBondContact O-N 3.19Å; R179-M182 PolarHBondContact O-N 2.85Å; R179-Q183 PolarHBondContact O-N 3.41Å
180W92.2Very high89.4Confident60 Ų6057.9 Ų57.923%0.22728%0.281CS..Hα-helixtrans-63.1-45.8179.2-172.695.8000111.8A136 G164 G165 A166 P167 Q176 T178 M182 Q183 V184A136-W180 HydrophobicContact CB-CZ2 4.17Å; G164-W180 VanDerWaalsContact CA-CH2 3.48Å; G165-W180 WeakPolarHBondContact O-CH2 3.37Å; G165-W180 WeakPolarHBondContact O-CZ3 3.3Å; A166-W180 HydrophobicContact CB-CE3 4.45Å; P167-W180 HydrophobicContact CG-CD2 4.23Å; P167-W180 HydrophobicContact CG-CG 4.19Å; P167-W180 HydrophobicContact CG-CZ2 4.5Å; Q176-W180 WeakPolarHBondContact O-CB 3.22Å; Q176-W180 PolarHBondContact O-N 3.41Å; T178-W180 VanDerWaalsContact C-N 3.33Å; T178-W180 PolarHBondContact O-N 2.88Å; W180-M182 VanDerWaalsContact C-N 3.33Å; W180-M182 PolarHBondContact O-N 3.02Å; W180-Q183 WeakPolarHBondContact O-CB 3.38Å; W180-Q183 PolarHBondContact O-N 3.27Å; W180-Q183 VanDerWaalsContact O-N 3.17Å; W180-V184 HydrophobicContact CD2-CG2 3.99Å; W180-V184 HydrophobicContact CE3-CG2 4.07Å; W180-V184 HydrophobicContact CH2-CB 4.36Å; W180-V184 HydrophobicContact CH2-CG1 4.45Å; W180-V184 HydrophobicContact CH2-CG2 3.77Å; W180-V184 HydrophobicContact CZ2-CG2 3.69Å; W180-V184 HydrophobicContact CZ3-CB 4.28Å; W180-V184 HydrophobicContact CZ3-CG2 3.96Å; W180-V184 WeakPolarHBondContact O-CG2 3.41Å; W180-V184 PolarHBondContact O-N 3.01Å
181L91.8Very high90.9Very high17 Ų1758.6 Ų58.69%0.08928%0.281CS..Hα-helixtrans-65.8-35.5177.2-79.6168.1000112.3G164 A177 T178 N185 P224G164-L181 VanDerWaalsContact O-CD2 3.26Å; G164-L181 WeakPolarHBondContact O-CD2 3.31Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 WeakPolarHBondContact O-CG 3.37Å; A177-L181 PolarHBondContact O-N 2.99Å; T178-L181 PolarHBondContact O-N 2.96Å; L181-N185 WeakPolarHBondContact CD2-ND2 3.33Å; L181-N185 WeakPolarHBondContact O-CB 3.45Å; L181-N185 PolarHBondContact O-N 3.34Å; L181-P224 HydrophobicContact CD1-CB 3.74Å
182M94.9Very high92.2Very high49 Ų4948.4 Ų48.424%0.24124%0.243CC..Hα-helixtrans-65.2-40.2172.3-72.9-61-62.100111.3T178 R179 W180 F186 V187 A228 A231T178-M182 HydrophobicContact CG2-CG 4.39Å; T178-M182 WeakPolarHBondContact O-CB 3.32Å; T178-M182 VanDerWaalsContact O-CG 3.23Å; T178-M182 WeakPolarHBondContact O-CG 3.36Å; T178-M182 PolarHBondContact O-N 2.87Å; R179-M182 PolarHBondContact O-N 2.85Å; W180-M182 VanDerWaalsContact C-N 3.33Å; W180-M182 PolarHBondContact O-N 3.02Å; M182-F186 HydrophobicContact CE-CB 4.16Å; M182-F186 HydrophobicContact CE-CD1 3.67Å; M182-F186 HydrophobicContact CE-CE1 4.39Å; M182-F186 HydrophobicContact CE-CG 4.06Å; M182-F186 WeakPolarHBondContact O-CA 3.38Å; M182-F186 VanDerWaalsContact O-CB 3.31Å; M182-F186 WeakPolarHBondContact O-CB 3.38Å; M182-F186 PolarHBondContact O-N 2.87Å; M182-F186 VanDerWaalsContact O-N 3.11Å; M182-V187 PolarHBondContact O-N 3.48Å; M182-A228 WeakPolarHBondContact SD-CA 3.42Å; M182-A228 HydrophobicContact SD-CB 3.68Å; M182-A231 HydrophobicContact CE-CB 4.04Å
183Q95.6Very high93.6Very high43 Ų4345.2 Ų45.220%0.20122%0.215CC..Iπ-helixtrans-59.5-54.7175.7-179.258.927.300110.8R179 W180 V187 S188R179-Q183 PolarHBondContact O-N 3.41Å; W180-Q183 WeakPolarHBondContact O-CB 3.38Å; W180-Q183 PolarHBondContact O-N 3.27Å; W180-Q183 VanDerWaalsContact O-N 3.17Å; Q183-V187 PolarHBondContact O-N 2.67Å; Q183-S188 PolarHBondContact O-N 2.85Å; Q183-S188 PolarHBondContact O-OG 3.29Å
184V95.4Very high94.4Very high5 Ų543.1 Ų43.13%0.0322%0.221CC..Iπ-helixtrans-75.1-37-173-1800000113.6M135 A136 H162 W180 S188M135-V184 HydrophobicContact CB-CG1 4.25Å; A136-V184 HydrophobicContact CB-CG2 3.66Å; H162-V184 PolarHBondContact CD2-O 3.26Å; H162-V184 VanDerWaalsContact CD2-O 3.27Å; H162-V184 PolarHBondContact NE2-O 3.48Å; W180-V184 HydrophobicContact CD2-CG2 3.99Å; W180-V184 HydrophobicContact CE3-CG2 4.07Å; W180-V184 HydrophobicContact CH2-CB 4.36Å; W180-V184 HydrophobicContact CH2-CG1 4.45Å; W180-V184 HydrophobicContact CH2-CG2 3.77Å; W180-V184 HydrophobicContact CZ2-CG2 3.69Å; W180-V184 HydrophobicContact CZ3-CB 4.28Å; W180-V184 HydrophobicContact CZ3-CG2 3.96Å; W180-V184 WeakPolarHBondContact O-CG2 3.41Å; W180-V184 PolarHBondContact O-N 3.01Å; V184-S188 PolarHBondContact O-OG 2.9Å
185N95.5Very high95Very high0 Ų046.6 Ų46.60%023%0.232CC..Iπ-helixtrans-100.3-3.4-172.1-61.2-23.8000113.4I163 G164 L181 A228I163-N185 WeakPolarHBondContact CA-OD1 3.43Å; G164-N185 PolarHBondContact N-OD1 3.06Å; L181-N185 WeakPolarHBondContact CD2-ND2 3.33Å; L181-N185 WeakPolarHBondContact O-CB 3.45Å; L181-N185 PolarHBondContact O-N 3.34Å; N185-A228 HydrophobicContact CB-CB 3.81Å
186F97.6Very high95.5Very high38 Ų3842.1 Ų42.117%0.16720%0.203CC..Iπ-helixtrans-140.1-59.3-178.1173.9-105.8000113.1M182 S188 Y189 V190 A231 L232 F235M182-F186 HydrophobicContact CE-CB 4.16Å; M182-F186 HydrophobicContact CE-CD1 3.67Å; M182-F186 HydrophobicContact CE-CE1 4.39Å; M182-F186 HydrophobicContact CE-CG 4.06Å; M182-F186 WeakPolarHBondContact O-CA 3.38Å; M182-F186 VanDerWaalsContact O-CB 3.31Å; M182-F186 WeakPolarHBondContact O-CB 3.38Å; M182-F186 PolarHBondContact O-N 2.87Å; M182-F186 VanDerWaalsContact O-N 3.11Å; F186-S188 PolarHBondContact O-N 3.1Å; F186-Y189 VanDerWaalsContact O-CB 3.3Å; F186-Y189 WeakPolarHBondContact O-CB 3.32Å; F186-Y189 PolarHBondContact O-N 3.1Å; F186-Y189 VanDerWaalsContact O-N 3.1Å; F186-V190 HydrophobicContact CE1-CG2 4.37Å; F186-V190 HydrophobicContact CE2-CG2 4.05Å; F186-V190 HydrophobicContact CZ-CG2 3.97Å; F186-V190 PolarHBondContact O-N 3.17Å; F186-V190 VanDerWaalsContact O-N 3.1Å; F186-A231 HydrophobicContact CD1-CB 4.32Å; F186-A231 HydrophobicContact CD2-CB 3.55Å; F186-A231 HydrophobicContact CE1-CB 4.46Å; F186-A231 HydrophobicContact CE2-CB 3.73Å; F186-A231 HydrophobicContact CG-CB 3.87Å; F186-A231 HydrophobicContact CZ-CB 4.19Å; F186-L232 HydrophobicContact CD2-CD2 4.02Å; F186-L232 HydrophobicContact CD2-CG 4.45Å; F186-F235 HydrophobicContact CE2-CB 3.63Å; F186-F235 HydrophobicContact CE2-CD2 4.48Å; F186-F235 HydrophobicContact CE2-CG 4.07Å; F186-F235 HydrophobicContact CZ-CB 4.07Å; F186-F235 HydrophobicContact CZ-CD2 4.22Å; F186-F235 HydrophobicContact CZ-CG 4.28Å
187V98.1Very high96Very high48 Ų4838.5 Ų38.529%0.29119%0.187SC..Iπ-helixtrans-64-43.5-174.6-179.80000111.3M182 Q183 Y189 V190 Q191M182-V187 PolarHBondContact O-N 3.48Å; Q183-V187 PolarHBondContact O-N 2.67Å; V187-Y189 PolarHBondContact O-N 2.89Å; V187-V190 WeakPolarHBondContact O-CA 3.18Å; V187-V190 WeakPolarHBondContact O-CB 3.38Å; V187-V190 PolarHBondContact O-N 2.72Å; V187-Q191 HydrophobicContact CG1-CG 4.36Å; V187-Q191 WeakPolarHBondContact O-CG 3.39Å; V187-Q191 PolarHBondContact O-N 2.76Å
188S98.4Very high96.6Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-58-36.4174.464.10000112.4H162 Q183 V184 F186 V190 Q191 L192H162-S188 PolarHBondContact NE2-OG 2.89Å; Q183-S188 PolarHBondContact O-N 2.85Å; Q183-S188 PolarHBondContact O-OG 3.29Å; V184-S188 PolarHBondContact O-OG 2.9Å; F186-S188 PolarHBondContact O-N 3.1Å; S188-V190 VanDerWaalsContact C-N 3.35Å; S188-Q191 PolarHBondContact O-N 2.96Å; S188-L192 WeakPolarHBondContact O-CB 3.39Å; S188-L192 WeakPolarHBondContact O-CG 3.13Å; S188-L192 PolarHBondContact O-N 3.43Å
189Y98.7Very high97Very high0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-65.4-40.4176.4-81.952.2000110.9L160 N161 H162 F186 V187 T193 V209 L232 F236L160-Y189 HydrophobicContact CB-CD2 3.35Å; L160-Y189 HydrophobicContact CB-CE1 4.47Å; L160-Y189 HydrophobicContact CB-CE2 3.19Å; L160-Y189 HydrophobicContact CB-CG 4.07Å; L160-Y189 HydrophobicContact CD1-CD2 3.51Å; L160-Y189 HydrophobicContact CD1-CE2 4.26Å; L160-Y189 HydrophobicContact CD1-CG 3.87Å; L160-Y189 HydrophobicContact CG-CD2 4.03Å; L160-Y189 HydrophobicContact CG-CE2 4.33Å; L160-Y189 HydrophobicContact CG-CG 4.47Å; L160-Y189 VanDerWaalsContact O-CE2 3.25Å; L160-Y189 WeakPolarHBondContact O-CE2 3.27Å; L160-Y189 PolarHBondContact O-OH 2.85Å; N161-Y189 VanDerWaalsContact C-OH 3.29Å; N161-Y189 WeakPolarHBondContact CA-OH 3.11Å; N161-Y189 PolarHBondContact N-OH 2.81Å; H162-Y189 AromaticContact CD2-CE1 3.82Å; H162-Y189 AromaticContact CE1-CD1 3.38Å; H162-Y189 WeakPolarHBondContact CE1-CD1 3.28Å; H162-Y189 AromaticContact CE1-CE1 3.19Å; H162-Y189 WeakPolarHBondContact CE1-CE1 3.34Å; H162-Y189 AromaticContact CG-CE1 3.94Å; H162-Y189 PolarHBondContact N-OH 3.18Å; H162-Y189 AromaticContact ND1-CE1 3.56Å; H162-Y189 AromaticContact NE2-CD1 3.55Å; H162-Y189 AromaticContact NE2-CE1 3.37Å; H162-Y189 WeakPolarHBondContact NE2-CE1 3.48Å; H162-Y189 PolarHBondContact O-OH 3.4Å; F186-Y189 VanDerWaalsContact O-CB 3.3Å; F186-Y189 WeakPolarHBondContact O-CB 3.32Å; F186-Y189 PolarHBondContact O-N 3.1Å; F186-Y189 VanDerWaalsContact O-N 3.1Å; V187-Y189 PolarHBondContact O-N 2.89Å; Y189-T193 VanDerWaalsContact O-CB 3.32Å; Y189-T193 WeakPolarHBondContact O-CB 3.45Å; Y189-T193 PolarHBondContact O-N 2.95Å; Y189-T193 PolarHBondContact O-OG1 3.11Å; Y189-V209 HydrophobicContact CD2-CG1 4.02Å; Y189-V209 HydrophobicContact CE2-CG1 4Å; Y189-L232 HydrophobicContact CD2-CD1 4.37Å; Y189-L232 HydrophobicContact CD2-CD2 3.51Å; Y189-L232 HydrophobicContact CE2-CD1 4.2Å; Y189-L232 HydrophobicContact CE2-CD2 4.15Å; Y189-L232 HydrophobicContact CG-CD2 3.88Å; Y189-F236 HydrophobicContact CD2-CE2 4.25Å
190V98.6Very high97.3Very high37 Ų3731.8 Ų31.822%0.22417%0.168CC..Hα-helixtrans-64-46.6174.5175.90000110.3F186 V187 S188 T193 S194 F235F186-V190 HydrophobicContact CE1-CG2 4.37Å; F186-V190 HydrophobicContact CE2-CG2 4.05Å; F186-V190 HydrophobicContact CZ-CG2 3.97Å; F186-V190 PolarHBondContact O-N 3.17Å; F186-V190 VanDerWaalsContact O-N 3.1Å; V187-V190 WeakPolarHBondContact O-CA 3.18Å; V187-V190 WeakPolarHBondContact O-CB 3.38Å; V187-V190 PolarHBondContact O-N 2.72Å; S188-V190 VanDerWaalsContact C-N 3.35Å; V190-T193 PolarHBondContact O-N 2.84Å; V190-S194 WeakPolarHBondContact O-CB 3.4Å; V190-S194 PolarHBondContact O-N 3.4Å; V190-F235 HydrophobicContact CB-CE1 4.42Å; V190-F235 HydrophobicContact CB-CZ 4.21Å; V190-F235 HydrophobicContact CG1-CE1 4.29Å; V190-F235 HydrophobicContact CG1-CE2 3.97Å; V190-F235 HydrophobicContact CG1-CZ 3.63Å; V190-F235 HydrophobicContact CG2-CD1 3.96Å; V190-F235 HydrophobicContact CG2-CD2 4.06Å; V190-F235 HydrophobicContact CG2-CE1 3.79Å; V190-F235 HydrophobicContact CG2-CE2 3.88Å; V190-F235 HydrophobicContact CG2-CG 4.11Å; V190-F235 HydrophobicContact CG2-CZ 3.76Å
191Q98.6Very high97.6Very high61 Ų6131.3 Ų31.329%0.28517%0.172SC..Hα-helixtrans-62-48.2179-68.8174.1-51.400112.1P138 P141 V187 S188 T193 S194 R195P138-Q191 PolarHBondContact O-NE2 3.22Å; P138-Q191 VanDerWaalsContact O-NE2 3.09Å; P141-Q191 HydrophobicContact CB-CB 3.63Å; P141-Q191 HydrophobicContact CG-CB 4.07Å; V187-Q191 HydrophobicContact CG1-CG 4.36Å; V187-Q191 WeakPolarHBondContact O-CG 3.39Å; V187-Q191 PolarHBondContact O-N 2.76Å; S188-Q191 PolarHBondContact O-N 2.96Å; Q191-T193 VanDerWaalsContact C-N 3.31Å; Q191-T193 PolarHBondContact O-N 3.17Å; Q191-S194 PolarHBondContact O-N 3.18Å; Q191-R195 PolarHBondContact O-N 3.18Å
192L98.8Very high97.9Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-58.1-44.6175.5-72.7168000111.4T82 M135 P141 V144 V145 L158 L160 S188 A196T82-L192 HydrophobicContact CG2-CD1 3.85Å; M135-L192 HydrophobicContact SD-CD1 4.16Å; P141-L192 HydrophobicContact CB-CD2 3.92Å; P141-L192 HydrophobicContact CB-CG 3.92Å; P141-L192 WeakPolarHBondContact O-CD2 3.42Å; V144-L192 HydrophobicContact CB-CD2 4.4Å; V144-L192 HydrophobicContact CG1-CD2 4.14Å; V145-L192 HydrophobicContact CG2-CB 4.49Å; V145-L192 HydrophobicContact CG2-CD2 3.68Å; L158-L192 HydrophobicContact CD2-CB 4.32Å; L160-L192 HydrophobicContact CD2-CB 3.88Å; L160-L192 HydrophobicContact CD2-CD1 3.47Å; L160-L192 VanDerWaalsContact CD2-CD1 3.47Å; L160-L192 HydrophobicContact CD2-CG 4.32Å; S188-L192 WeakPolarHBondContact O-CB 3.39Å; S188-L192 WeakPolarHBondContact O-CG 3.13Å; S188-L192 PolarHBondContact O-N 3.43Å; L192-A196 VanDerWaalsContact O-CB 3.22Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 2.77Å
193T98.7Very high98Very high3 Ų336.2 Ų36.22%0.01820%0.202CC..Hα-helixtrans-64.4-50.4179.3-58.40000110.9Y189 V190 Q191 R195 A196 L197 L207 F236 L239Y189-T193 VanDerWaalsContact O-CB 3.32Å; Y189-T193 WeakPolarHBondContact O-CB 3.45Å; Y189-T193 PolarHBondContact O-N 2.95Å; Y189-T193 PolarHBondContact O-OG1 3.11Å; V190-T193 PolarHBondContact O-N 2.84Å; Q191-T193 VanDerWaalsContact C-N 3.31Å; Q191-T193 PolarHBondContact O-N 3.17Å; T193-R195 VanDerWaalsContact C-N 3.26Å; T193-R195 PolarHBondContact O-N 3.25Å; T193-A196 PolarHBondContact O-N 3.37Å; T193-L197 VanDerWaalsContact O-CB 3.28Å; T193-L197 WeakPolarHBondContact O-CB 3.33Å; T193-L197 PolarHBondContact O-N 3.03Å; T193-L207 HydrophobicContact CG2-CD2 3.63Å; T193-F236 HydrophobicContact CG2-CE1 4.07Å; T193-F236 WeakPolarHBondContact OG1-CE1 3.09Å; T193-F236 WeakPolarHBondContact OG1-CZ 3.45Å; T193-L239 HydrophobicContact CG2-CD2 3.76Å
194S98.3Very high98.2Very high88 Ų8840.5 Ų40.562%0.61522%0.219SC*.Hα-helixtrans-55.7-43-179.2177.50000111.5V190 Q191V190-S194 WeakPolarHBondContact O-CB 3.4Å; V190-S194 PolarHBondContact O-N 3.4Å; Q191-S194 PolarHBondContact O-N 3.18Å
195R98.6Very high98.3Very high89 Ų8940.6 Ų40.634%0.33622%0.221SC..Hα-helixtrans-72.9-36.2179.1-173.165.9-170.4111.9-6.3113.3V145 Q191 T193V145-R195 HydrophobicContact CB-CB 4.11Å; V145-R195 HydrophobicContact CB-CG 3.67Å; V145-R195 HydrophobicContact CG1-CB 4.08Å; V145-R195 HydrophobicContact CG1-CG 3.58Å; V145-R195 HydrophobicContact CG2-CB 4.22Å; V145-R195 HydrophobicContact CG2-CG 4.32Å; Q191-R195 PolarHBondContact O-N 3.18Å; T193-R195 VanDerWaalsContact C-N 3.26Å; T193-R195 PolarHBondContact O-N 3.25Å
196A98.7Very high98.5Very high0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-85.3-20.3-176.500000114.1V145 L155 L158 L192 T193 P198 S199 L200V145-A196 HydrophobicContact CG1-CB 3.95Å; V145-A196 HydrophobicContact CG2-CB 4.35Å; L155-A196 HydrophobicContact CD1-CB 4.01Å; L158-A196 HydrophobicContact CD2-CB 3.63Å; L192-A196 VanDerWaalsContact O-CB 3.22Å; L192-A196 WeakPolarHBondContact O-CB 3.26Å; L192-A196 PolarHBondContact O-N 2.77Å; T193-A196 PolarHBondContact O-N 3.37Å; A196-P198 VanDerWaalsContact C-CD 3.5Å; A196-S199 PolarHBondContact O-N 2.96Å; A196-S199 VanDerWaalsContact O-N 3.11Å; A196-L200 HydrophobicContact CB-CD1 4.4Å; A196-L200 PolarHBondContact O-N 3.24Å
197L98.6Very high98.5Very high40 Ų4038.9 Ų38.921%0.20921%0.214CC..Hα-helixtrans-54.3-43.8-172.3-174.563.9000113.5T193 S199 L200 T201 L243 V250T193-L197 VanDerWaalsContact O-CB 3.28Å; T193-L197 WeakPolarHBondContact O-CB 3.33Å; T193-L197 PolarHBondContact O-N 3.03Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-S199 PolarHBondContact O-N 3.29Å; L197-L200 PolarHBondContact O-N 3.09Å; L197-T201 PolarHBondContact O-N 3.3Å; L197-T201 PolarHBondContact O-OG1 3.45Å; L197-T201 VanDerWaalsContact O-OG1 3.07Å; L197-L243 HydrophobicContact CD1-CD1 4.34Å; L197-L243 HydrophobicContact CD1-CD2 4.31Å; L197-L243 HydrophobicContact CD2-CD2 4.36Å; L197-V250 HydrophobicContact CD1-CG1 4.44Å; L197-V250 HydrophobicContact CD1-CG2 4.44Å
198P98.5Very high98.5Very high75 Ų7536.6 Ų36.649%0.48720%0.2SC..Hα-helixtrans-56.2-46.7177.1-2635.8000112.8A196 L200 T201 D202A196-P198 VanDerWaalsContact C-CD 3.5Å; P198-L200 VanDerWaalsContact C-N 3.35Å; P198-L200 PolarHBondContact O-N 3Å; P198-T201 WeakPolarHBondContact O-CB 3.2Å; P198-T201 PolarHBondContact O-N 3.29Å; P198-D202 PolarHBondContact O-N 3.31Å
199S98.6Very high98.5Very high15 Ų1536.6 Ų36.611%0.10520%0.2CC..Hα-helixtrans-69.1-32.9-179.9-173.20000112.9G154 L155 A196 L197 T201 S203G154-S199 WeakPolarHBondContact CA-OG 3.49Å; L155-S199 PolarHBondContact N-OG 3.03Å; A196-S199 PolarHBondContact O-N 2.96Å; A196-S199 VanDerWaalsContact O-N 3.11Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-S199 PolarHBondContact O-N 3.29Å; S199-T201 VanDerWaalsContact C-N 3.34Å; S199-S203 PolarHBondContact O-N 3.22Å; S199-S203 PolarHBondContact O-OG 3.37Å; S199-S203 VanDerWaalsContact O-OG 3.1Å
200L98.8Very high98.4Very high0 Ų036.8 Ų36.80%020%0.201CC..Hα-helixtrans-68.3-35.7173-67.2174.4000111.4L155 L158 A196 L197 P198 S203 K204 G205 L207 V250L155-L200 HydrophobicContact CB-CD2 4.18Å; L158-L200 HydrophobicContact CB-CD1 4.01Å; A196-L200 HydrophobicContact CB-CD1 4.4Å; A196-L200 PolarHBondContact O-N 3.24Å; L197-L200 PolarHBondContact O-N 3.09Å; P198-L200 VanDerWaalsContact C-N 3.35Å; P198-L200 PolarHBondContact O-N 3Å; L200-S203 WeakPolarHBondContact CA-OG 3.27Å; L200-S203 PolarHBondContact O-N 3.49Å; L200-S203 PolarHBondContact O-OG 3.12Å; L200-K204 CarbonylContact O-C 3.56Å; L200-K204 WeakPolarHBondContact O-CA 3.19Å; L200-K204 PolarHBondContact O-N 3.32Å; L200-G205 PolarHBondContact O-N 2.82Å; L200-L207 HydrophobicContact CD1-CB 4.4Å; L200-V250 HydrophobicContact CB-CG1 4.15Å; L200-V250 HydrophobicContact CB-CG2 4.09Å; L200-V250 WeakPolarHBondContact O-CG2 3.23Å
201T98.6Very high98.2Very high50 Ų5035.2 Ų35.231%0.30719%0.192SC..Hα-helixtrans-63.4-47.1174.7-63.60000110.8L197 P198 S199 S203 K204 V248L197-T201 PolarHBondContact O-N 3.3Å; L197-T201 PolarHBondContact O-OG1 3.45Å; L197-T201 VanDerWaalsContact O-OG1 3.07Å; P198-T201 WeakPolarHBondContact O-CB 3.2Å; P198-T201 PolarHBondContact O-N 3.29Å; S199-T201 VanDerWaalsContact C-N 3.34Å; T201-S203 VanDerWaalsContact C-N 3.29Å; T201-S203 PolarHBondContact O-N 3.42Å; T201-K204 PolarHBondContact O-N 3.06Å; T201-K204 VanDerWaalsContact O-N 3.12Å; T201-V248 HydrophobicContact CG2-CG1 3.89Å; T201-V248 WeakPolarHBondContact OG1-CG1 3.47Å
202D98.3Very high97.7Very high136 Ų13633 Ų3373%0.72718%0.183SC*.Hα-helixtrans-59.5-40.1178.7-64.8-22.7000112.2P198P198-D202 PolarHBondContact O-N 3.31Å
203S98.3Very high97Very high33 Ų3334.1 Ų34.123%0.23119%0.189CC..Hα-helixtrans-84.4-7.5179.263.20000114.5L155 D156 S199 L200 T201 G205L155-S203 VanDerWaalsContact O-CB 3.32Å; L155-S203 WeakPolarHBondContact O-CB 3.4Å; L155-S203 PolarHBondContact O-OG 3.41Å; D156-S203 WeakPolarHBondContact OD1-CB 3.42Å; S199-S203 PolarHBondContact O-N 3.22Å; S199-S203 PolarHBondContact O-OG 3.37Å; S199-S203 VanDerWaalsContact O-OG 3.1Å; L200-S203 WeakPolarHBondContact CA-OG 3.27Å; L200-S203 PolarHBondContact O-N 3.49Å; L200-S203 PolarHBondContact O-OG 3.12Å; T201-S203 VanDerWaalsContact C-N 3.29Å; T201-S203 PolarHBondContact O-N 3.42Å; S203-G205 PolarHBondContact O-N 3.07Å; S203-G205 PolarHBondContact OG-N 3.48Å
204K98.3Very high96.3Very high132 Ų13235.8 Ų35.857%0.57420%0.198SC*.THydrogen-bonded Turntrans53.735.3-166.6-53.2175-177.81780111.8L200 T201 N249 R294L200-K204 CarbonylContact O-C 3.56Å; L200-K204 WeakPolarHBondContact O-CA 3.19Å; L200-K204 PolarHBondContact O-N 3.32Å; T201-K204 PolarHBondContact O-N 3.06Å; T201-K204 VanDerWaalsContact O-N 3.12Å; K204-N249 CarbonylContact C-O 3.24Å; K204-N249 VanDerWaalsContact C-O 3.31Å; K204-N249 WeakPolarHBondContact CA-O 3.23Å; K204-N249 HydrophobicContact CB-CB 4.34Å; K204-N249 WeakPolarHBondContact CB-O 3.38Å; K204-N249 HydrophobicContact CG-CB 4.25Å; K204-R294 PolarHBondContact O-NH1 3.2Å; K204-R294 PolarHBondContact O-NH2 3.04Å
205G98.1Very high95.5Very high7 Ų731.6 Ų31.67%0.07217%0.168CC..  trans-72.3-166.6-168.800000115.3D156 L200 S203 A251 R294D156-G205 CarbonylContact O-C 3.58Å; D156-G205 WeakPolarHBondContact O-CA 3.48Å; L200-G205 PolarHBondContact O-N 2.82Å; S203-G205 PolarHBondContact O-N 3.07Å; S203-G205 PolarHBondContact OG-N 3.48Å; G205-A251 PolarHBondContact O-N 2.74Å; G205-R294 PolarHBondContact O-NH1 2.85Å
206S98.6Very high94.8Very high1 Ų130 Ų301%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-129.4128-175.5-70.10000112.3D156 Y157 L158 A251 G291 R294D156-S206 PolarHBondContact O-N 3.31Å; Y157-S206 VanDerWaalsContact CA-O 3.31Å; Y157-S206 WeakPolarHBondContact CA-O 3.24Å; L158-S206 PolarHBondContact N-O 3.42Å; L158-S206 VanDerWaalsContact N-O 3.07Å; S206-A251 CarbonylContact C-O 3.58Å; S206-A251 WeakPolarHBondContact CA-O 3.45Å; S206-G291 PolarHBondContact OG-O 3.17Å; S206-R294 PolarHBondContact OG-NH1 3.44Å
207L98.8Very high93.9Very high1 Ų130.5 Ų30.51%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-96.2117.4168.9178.562.2000110L158 L160 T193 L200 V209 F236 A251 I252 T253L158-L207 HydrophobicContact CB-CD1 3.84Å; L158-L207 HydrophobicContact CD2-CD1 3.65Å; L158-L207 HydrophobicContact CG-CD1 3.69Å; L160-L207 HydrophobicContact CD1-CD1 3.86Å; L160-L207 HydrophobicContact CG-CD1 4.1Å; T193-L207 HydrophobicContact CG2-CD2 3.63Å; L200-L207 HydrophobicContact CD1-CB 4.4Å; L207-V209 HydrophobicContact CD2-CG2 4.5Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; L207-F236 HydrophobicContact CD2-CD1 3.76Å; L207-F236 HydrophobicContact CD2-CE1 3.55Å; L207-A251 PolarHBondContact N-O 3.29Å; L207-I252 HydrophobicContact CB-CG1 4.26Å; L207-I252 HydrophobicContact CD2-CD1 4.14Å; L207-I252 HydrophobicContact CD2-CG1 4.16Å; L207-I252 HydrophobicContact CD2-CG2 4.35Å; L207-I252 CarbonylContact O-C 3.38Å; L207-I252 WeakPolarHBondContact O-CA 3.24Å; L207-T253 PolarHBondContact O-N 3.34Å
208V98.7Very high92.8Very high0 Ų031.7 Ų31.70%018%0.175CC..EExtended strand (participates in β ladder)trans-111.6114.2-177.3-175.20000109.6L158 V159 L160 V287L158-V208 PolarHBondContact O-N 3.43Å; V159-V208 HydrophobicContact CG1-CB 4.28Å; V159-V208 HydrophobicContact CG1-CG1 4.35Å; V159-V208 HydrophobicContact CG2-CB 4.25Å; V159-V208 HydrophobicContact CG2-CG2 4.48Å; L160-V208 PolarHBondContact N-O 3.23Å; V208-V287 HydrophobicContact CG1-CG1 3.61Å
209V98.5Very high91.5Very high0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-108.4109-174.6-1760000109.9L160 Y189 L207 S211 L232 F236 I252 T253 M254 C255L160-V209 HydrophobicContact CD1-CG2 4.38Å; Y189-V209 HydrophobicContact CD2-CG1 4.02Å; Y189-V209 HydrophobicContact CE2-CG1 4Å; L207-V209 HydrophobicContact CD2-CG2 4.5Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; V209-S211 PolarHBondContact O-N 3.31Å; V209-L232 HydrophobicContact CG1-CB 4.4Å; V209-L232 HydrophobicContact CG1-CD1 4.2Å; V209-L232 HydrophobicContact CG1-CD2 4.25Å; V209-F236 HydrophobicContact CB-CD2 4.42Å; V209-F236 HydrophobicContact CG1-CD2 3.84Å; V209-F236 HydrophobicContact CG1-CE2 3.99Å; V209-F236 HydrophobicContact CG2-CD1 3.92Å; V209-F236 HydrophobicContact CG2-CD2 3.86Å; V209-F236 HydrophobicContact CG2-CE1 4.1Å; V209-F236 HydrophobicContact CG2-CE2 4.02Å; V209-F236 HydrophobicContact CG2-CG 3.81Å; V209-F236 HydrophobicContact CG2-CZ 4.13Å; V209-I252 HydrophobicContact CG2-CG2 4.48Å; V209-T253 PolarHBondContact N-O 2.96Å; V209-M254 HydrophobicContact CB-CE 4.29Å; V209-M254 HydrophobicContact CB-SD 3.64Å; V209-M254 HydrophobicContact CG1-CE 3.94Å; V209-M254 HydrophobicContact CG1-SD 3.86Å; V209-M254 HydrophobicContact CG2-SD 4.14Å; V209-C255 PolarHBondContact O-N 3.43Å
210V96.4Very high90.3Very high4 Ų432 Ų322%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-83.2108.9178-174.70000110.8L160 N161 K229 L257 V287L160-V210 WeakPolarHBondContact O-CB 3.44Å; L160-V210 PolarHBondContact O-N 2.94Å; N161-V210 HydrophobicContact CB-CB 4.09Å; N161-V210 HydrophobicContact CB-CG2 3.78Å; V210-K229 PolarHBondContact O-NZ 2.77Å; V210-L257 HydrophobicContact CG1-CD1 3.51Å; V210-L257 HydrophobicContact CG1-CG 4.24Å; V210-V287 HydrophobicContact CG2-CG1 4.16Å
211S93.4Very high88.9Confident4 Ų435.8 Ų35.83%0.02819%0.194CC..EExtended strand (participates in β ladder)trans-107.5-163.4174.4-1660000111V209 C255 L257V209-S211 PolarHBondContact O-N 3.31Å; S211-C255 CarbonylContact C-O 3.31Å; S211-C255 VanDerWaalsContact C-O 3.24Å; S211-C255 VanDerWaalsContact CA-O 3.27Å; S211-C255 WeakPolarHBondContact CA-O 3.46Å; S211-C255 PolarHBondContact N-O 3.32Å; S211-L257 PolarHBondContact O-N 3.09Å
212S88.4Confident87.8Confident14 Ų1434.5 Ų34.510%0.09819%0.188CC..EExtended strand (participates in β ladder)trans-143.7161.6-176.3-179.60000110.2L214 G215 Y225 L257S212-L214 PolarHBondContact O-N 3.29Å; S212-L214 VanDerWaalsContact O-N 3.13Å; S212-L214 PolarHBondContact OG-N 3.31Å; S212-G215 WeakPolarHBondContact O-CA 3.43Å; S212-G215 PolarHBondContact O-N 2.85Å; S212-Y225 WeakPolarHBondContact CB-OH 3.24Å; S212-L257 WeakPolarHBondContact CA-O 3.48Å; S212-L257 PolarHBondContact OG-O 3.31Å
213L84.2Confident87.2Confident25 Ų2532.1 Ų32.113%0.13118%0.178CC..G310 helixtrans-49.9-35.5166.8-176.364.6000111.6G215 R216 V217 L257 F304L213-G215 PolarHBondContact O-N 3.34Å; L213-R216 PolarHBondContact O-N 2.96Å; L213-V217 HydrophobicContact CD1-CG2 3.95Å; L213-V217 HydrophobicContact CG-CG2 4.48Å; L213-V217 PolarHBondContact O-N 2.73Å; L213-L257 PolarHBondContact N-O 2.86Å; L213-L257 VanDerWaalsContact N-O 3.13Å; L213-F304 HydrophobicContact CB-CD2 4.08Å; L213-F304 HydrophobicContact CB-CE2 3.81Å; L213-F304 HydrophobicContact CB-CZ 4.46Å; L213-F304 HydrophobicContact CD1-CB 4.35Å; L213-F304 HydrophobicContact CD1-CD2 4.14Å; L213-F304 HydrophobicContact CD1-CE2 4.45Å; L213-F304 HydrophobicContact CD1-CG 4.16Å; L213-F304 HydrophobicContact CD2-CD1 4.44Å; L213-F304 HydrophobicContact CD2-CD2 4.41Å; L213-F304 HydrophobicContact CD2-CE1 4.06Å; L213-F304 HydrophobicContact CD2-CE2 3.95Å; L213-F304 HydrophobicContact CD2-CZ 3.79Å; L213-F304 HydrophobicContact CG-CD2 4.44Å; L213-F304 HydrophobicContact CG-CE2 4.29Å
214L83.4Confident86.7Confident37 Ų3731 Ų3119%0.19417%0.17CC..G310 helixtrans-67.7-9.4177-8763.9000114.6S212 V217 T219 S222 Y225 S226 F230S212-L214 PolarHBondContact O-N 3.29Å; S212-L214 VanDerWaalsContact O-N 3.13Å; S212-L214 PolarHBondContact OG-N 3.31Å; L214-V217 WeakPolarHBondContact CA-O 3.38Å; L214-T219 HydrophobicContact CD1-CG2 3.83Å; L214-T219 WeakPolarHBondContact CD2-OG1 3.12Å; L214-T219 HydrophobicContact CG-CG2 3.98Å; L214-T219 VanDerWaalsContact CG-OG1 3.24Å; L214-T219 WeakPolarHBondContact CG-OG1 3.27Å; L214-S222 WeakPolarHBondContact CD2-OG 3.43Å; L214-Y225 HydrophobicContact CB-CD1 4.18Å; L214-Y225 HydrophobicContact CB-CE1 3.88Å; L214-Y225 HydrophobicContact CD2-CD1 3.81Å; L214-Y225 HydrophobicContact CD2-CE1 3.88Å; L214-S226 WeakPolarHBondContact O-CA 3.48Å; L214-S226 WeakPolarHBondContact O-CB 3.37Å; L214-S226 PolarHBondContact O-OG 3.28Å; L214-F230 VanDerWaalsContact O-CD2 3.23Å; L214-F230 WeakPolarHBondContact O-CD2 3.49Å; L214-F230 WeakPolarHBondContact O-CE2 3.35Å
215G82.2Confident86.1Confident0 Ų027.4 Ų27.40%015%0.153CC..G310 helixtrans-91.4-5.2169.100000113.8S212 L213 F230S212-G215 WeakPolarHBondContact O-CA 3.43Å; S212-G215 PolarHBondContact O-N 2.85Å; L213-G215 PolarHBondContact O-N 3.34Å; G215-F230 WeakPolarHBondContact O-CD1 2.97Å; G215-F230 WeakPolarHBondContact O-CG 3.36Å
216R83Confident85.7Confident56 Ų5627.6 Ų27.621%0.21115%0.154CC..THydrogen-bonded Turntrans-121.1-28.2178.6-67.8-61.8-169.8106.5-10.4112.6L213 F230 D233 V256 C308 R311L213-R216 PolarHBondContact O-N 2.96Å; R216-F230 WeakPolarHBondContact O-CZ 3.47Å; R216-D233 WeakPolarHBondContact CD-OD2 3.28Å; R216-D233 IonicContact CZ-OD1 3.13Å; R216-D233 IonicContact CZ-OD2 3.42Å; R216-D233 IonicContact NE-OD1 2.94Å; R216-D233 PolarHBondContact NE-OD1 3.11Å; R216-D233 IonicContact NE-OD2 3.02Å; R216-D233 PolarHBondContact NE-OD2 3.47Å; R216-D233 IonicContact NH2-OD1 2.68Å; R216-D233 PolarHBondContact NH2-OD1 2.91Å; R216-D233 IonicContact NH2-OD2 3.67Å; R216-V256 HydrophobicContact CG-CG1 4.37Å; R216-V256 HydrophobicContact CG-CG2 3.98Å; R216-C308 VanDerWaalsContact CB-SG 3.53Å; R216-R311 WeakPolarHBondContact O-CD 3.47Å; R216-R311 PolarHBondContact O-NH1 2.96Å
217V80.1Confident85.3Confident11 Ų1129.8 Ų29.87%0.06717%0.172CC..SBendtrans-126.5125.3-178.9-176.90000108.4L213 L214 T219 I322L213-V217 HydrophobicContact CD1-CG2 3.95Å; L213-V217 HydrophobicContact CG-CG2 4.48Å; L213-V217 PolarHBondContact O-N 2.73Å; L214-V217 WeakPolarHBondContact CA-O 3.38Å; V217-T219 PolarHBondContact O-N 3.31Å; V217-I322 HydrophobicContact CG1-CD1 3.61Å
218P76.8Confident85.1Confident64 Ų6429.7 Ų29.742%0.41617%0.171SC..  trans-67.8135.1174.929.3-33000109
219T69.5Low84.8Confident36 Ų3629.8 Ų29.822%0.22117%0.172CC..  trans-130.9156.417669.90000110.3L214 V217 S222L214-T219 HydrophobicContact CD1-CG2 3.83Å; L214-T219 WeakPolarHBondContact CD2-OG1 3.12Å; L214-T219 HydrophobicContact CG-CG2 3.98Å; L214-T219 VanDerWaalsContact CG-OG1 3.24Å; L214-T219 WeakPolarHBondContact CG-OG1 3.27Å; V217-T219 PolarHBondContact O-N 3.31Å; T219-S222 PolarHBondContact OG1-OG 2.83Å; T219-S222 VanDerWaalsContact OG1-OG 3.12Å
220S73.3Confident84.5Confident60 Ų6032.8 Ų32.842%0.4219%0.185SC..THydrogen-bonded Turntrans-70.7156.3-179.9-54.90000111.6S222S220-S222 PolarHBondContact O-N 2.85Å
221F70.6Confident84.6Confident80 Ų8033.9 Ų33.935%0.35119%0.194SC..THydrogen-bonded Turntrans69.7-8.6171.6-46.8-65.6000117.7R173 V272 L326 A331R173-F221 VanDerWaalsContact NH2-CA 3.26Å; R173-F221 PolarHBondContact NH2-O 2.84Å; F221-V272 HydrophobicContact CD2-CG1 4.04Å; F221-L326 HydrophobicContact CD2-CD2 4.27Å; F221-L326 HydrophobicContact CE2-CD1 4.21Å; F221-L326 HydrophobicContact CE2-CD2 4.44Å; F221-A331 HydrophobicContact CD1-CB 4.24Å; F221-A331 HydrophobicContact CD2-CB 4.08Å; F221-A331 HydrophobicContact CE1-CB 3.73Å; F221-A331 HydrophobicContact CE2-CB 3.55Å; F221-A331 HydrophobicContact CG-CB 4.4Å; F221-A331 HydrophobicContact CZ-CB 3.36Å
222S76Confident84.8Confident24 Ų2433.7 Ų33.717%0.16819%0.193CC..  trans-116.329-179.368.30000114.1L214 T219 S220 Y225 S226L214-S222 WeakPolarHBondContact CD2-OG 3.43Å; T219-S222 PolarHBondContact OG1-OG 2.83Å; T219-S222 VanDerWaalsContact OG1-OG 3.12Å; S220-S222 PolarHBondContact O-N 2.85Å; S222-Y225 PolarHBondContact O-N 3.36Å; S222-S226 WeakPolarHBondContact O-CB 3.48Å; S222-S226 PolarHBondContact O-N 2.97Å
223T84.6Confident85Confident85 Ų8534.8 Ų34.852%0.52120%0.198SC..Hα-helixtrans-51-51.5-167.1-46.30000114.6Y225 S226 A227T223-Y225 PolarHBondContact O-N 3.24Å; T223-S226 PolarHBondContact O-N 3.09Å; T223-A227 PolarHBondContact O-N 3.08Å
224P87.7Confident85.6Confident11 Ų1136 Ų367%0.07122%0.217CC..Hα-helixtrans-67.8-37.3-177.6-20.835.1000113.2T178 L181 A227 A228T178-P224 HydrophobicContact CG2-CB 4.23Å; L181-P224 HydrophobicContact CD1-CB 3.74Å; P224-A227 PolarHBondContact O-N 3.39Å; P224-A228 PolarHBondContact O-N 3.21Å; P224-A228 VanDerWaalsContact O-N 3.13Å
225Y86.4Confident86.3Confident55 Ų5537.7 Ų37.722%0.21622%0.223CC..Hα-helixtrans-65.5-43.4175173.1-96.4000111.6S212 L214 S222 T223 A228 K229S212-Y225 WeakPolarHBondContact CB-OH 3.24Å; L214-Y225 HydrophobicContact CB-CD1 4.18Å; L214-Y225 HydrophobicContact CB-CE1 3.88Å; L214-Y225 HydrophobicContact CD2-CD1 3.81Å; L214-Y225 HydrophobicContact CD2-CE1 3.88Å; S222-Y225 PolarHBondContact O-N 3.36Å; T223-Y225 PolarHBondContact O-N 3.24Å; Y225-A228 PolarHBondContact O-N 3.47Å; Y225-K229 HydrophobicContact CD1-CG 4.4Å; Y225-K229 HydrophobicContact CD2-CG 4.45Å; Y225-K229 HydrophobicContact CE1-CG 3.91Å; Y225-K229 HydrophobicContact CE2-CD 4.43Å; Y225-K229 HydrophobicContact CE2-CG 3.95Å; Y225-K229 PolarHBondContact O-N 3.15Å; Y225-K229 WeakPolarHBondContact OH-CE 3.4Å
226S88.8Confident87.1Confident11 Ų1137.7 Ų37.78%0.07722%0.223CC..Hα-helixtrans-60.8-47.2175.9-172.90000110.3L214 S222 T223 A228 K229 F230L214-S226 WeakPolarHBondContact O-CA 3.48Å; L214-S226 WeakPolarHBondContact O-CB 3.37Å; L214-S226 PolarHBondContact O-OG 3.28Å; S222-S226 WeakPolarHBondContact O-CB 3.48Å; S222-S226 PolarHBondContact O-N 2.97Å; T223-S226 PolarHBondContact O-N 3.09Å; S226-A228 VanDerWaalsContact C-N 3.35Å; S226-A228 PolarHBondContact O-N 3.36Å; S226-K229 PolarHBondContact O-N 2.88Å; S226-K229 VanDerWaalsContact O-N 3.16Å; S226-F230 WeakPolarHBondContact O-CB 3.37Å; S226-F230 VanDerWaalsContact O-CD2 3.29Å; S226-F230 WeakPolarHBondContact O-CD2 3.08Å; S226-F230 PolarHBondContact O-N 3Å; S226-F230 WeakPolarHBondContact OG-CE2 3.35Å
227A91.4Very high87.7Confident47 Ų4736.1 Ų36.139%0.38822%0.224SC..Hα-helixtrans-53.2-49.4176.100000112.3T223 P224 K229 F230 A231T223-A227 PolarHBondContact O-N 3.08Å; P224-A227 PolarHBondContact O-N 3.39Å; A227-K229 PolarHBondContact O-N 3Å; A227-F230 PolarHBondContact O-N 2.94Å; A227-A231 PolarHBondContact O-N 3.32Å
228A93.1Very high88.6Confident0 Ų038.5 Ų38.50%024%0.241CC..Hα-helixtrans-62.3-43.5177.900000112.9M182 N185 P224 Y225 S226 F230 A231 L232M182-A228 WeakPolarHBondContact SD-CA 3.42Å; M182-A228 HydrophobicContact SD-CB 3.68Å; N185-A228 HydrophobicContact CB-CB 3.81Å; P224-A228 PolarHBondContact O-N 3.21Å; P224-A228 VanDerWaalsContact O-N 3.13Å; Y225-A228 PolarHBondContact O-N 3.47Å; S226-A228 VanDerWaalsContact C-N 3.35Å; S226-A228 PolarHBondContact O-N 3.36Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.48Å; A228-A231 WeakPolarHBondContact O-CB 3.49Å; A228-A231 PolarHBondContact O-N 3.03Å; A228-L232 PolarHBondContact O-N 3.46Å
229K92.6Very high89.6Confident2 Ų236.3 Ų36.31%0.00923%0.226CC..Hα-helixtrans-70.5-28.1178.9-68-56.3-170.8-176.50113.4V210 Y225 S226 A227 L232V210-K229 PolarHBondContact O-NZ 2.77Å; Y225-K229 HydrophobicContact CD1-CG 4.4Å; Y225-K229 HydrophobicContact CD2-CG 4.45Å; Y225-K229 HydrophobicContact CE1-CG 3.91Å; Y225-K229 HydrophobicContact CE2-CD 4.43Å; Y225-K229 HydrophobicContact CE2-CG 3.95Å; Y225-K229 PolarHBondContact O-N 3.15Å; Y225-K229 WeakPolarHBondContact OH-CE 3.4Å; S226-K229 PolarHBondContact O-N 2.88Å; S226-K229 VanDerWaalsContact O-N 3.16Å; A227-K229 PolarHBondContact O-N 3Å; K229-L232 HydrophobicContact CD-CD1 3.58Å
230F93.9Very high90.9Very high62 Ų6236.8 Ų36.827%0.27222%0.223SC..Hα-helixtrans-70.8-39.1169.7-92.8-96.9000111.6L214 G215 R216 S226 A227 A228 L232 D233 G234L214-F230 VanDerWaalsContact O-CD2 3.23Å; L214-F230 WeakPolarHBondContact O-CD2 3.49Å; L214-F230 WeakPolarHBondContact O-CE2 3.35Å; G215-F230 WeakPolarHBondContact O-CD1 2.97Å; G215-F230 WeakPolarHBondContact O-CG 3.36Å; R216-F230 WeakPolarHBondContact O-CZ 3.47Å; S226-F230 WeakPolarHBondContact O-CB 3.37Å; S226-F230 VanDerWaalsContact O-CD2 3.29Å; S226-F230 WeakPolarHBondContact O-CD2 3.08Å; S226-F230 PolarHBondContact O-N 3Å; S226-F230 WeakPolarHBondContact OG-CE2 3.35Å; A227-F230 PolarHBondContact O-N 2.94Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.48Å; F230-L232 VanDerWaalsContact C-N 3.27Å; F230-L232 PolarHBondContact O-N 2.95Å; F230-D233 WeakPolarHBondContact O-CB 3.48Å; F230-D233 PolarHBondContact O-N 3.34Å; F230-D233 VanDerWaalsContact O-N 3.08Å; F230-G234 PolarHBondContact O-N 3.25Å
231A96.9Very high92Very high27 Ų2739.7 Ų39.722%0.22323%0.225CC..Hα-helixtrans-59.6-38.1176.800000112.1M182 F186 A227 A228 D233 G234 F235M182-A231 HydrophobicContact CE-CB 4.04Å; F186-A231 HydrophobicContact CD1-CB 4.32Å; F186-A231 HydrophobicContact CD2-CB 3.55Å; F186-A231 HydrophobicContact CE1-CB 4.46Å; F186-A231 HydrophobicContact CE2-CB 3.73Å; F186-A231 HydrophobicContact CG-CB 3.87Å; F186-A231 HydrophobicContact CZ-CB 4.19Å; A227-A231 PolarHBondContact O-N 3.32Å; A228-A231 WeakPolarHBondContact O-CB 3.49Å; A228-A231 PolarHBondContact O-N 3.03Å; A231-D233 VanDerWaalsContact C-N 3.32Å; A231-D233 PolarHBondContact O-N 3.04Å; A231-G234 PolarHBondContact O-N 2.77Å; A231-F235 WeakPolarHBondContact O-CB 3.29Å; A231-F235 PolarHBondContact O-N 3.37Å
232L97.3Very high93.3Very high0 Ų040.2 Ų40.20%023%0.229CC..Hα-helixtrans-56.4-43.7172.7-65174.7000112.4F186 Y189 V209 A228 K229 F230 F236 M254F186-L232 HydrophobicContact CD2-CD2 4.02Å; F186-L232 HydrophobicContact CD2-CG 4.45Å; Y189-L232 HydrophobicContact CD2-CD1 4.37Å; Y189-L232 HydrophobicContact CD2-CD2 3.51Å; Y189-L232 HydrophobicContact CE2-CD1 4.2Å; Y189-L232 HydrophobicContact CE2-CD2 4.15Å; Y189-L232 HydrophobicContact CG-CD2 3.88Å; V209-L232 HydrophobicContact CG1-CB 4.4Å; V209-L232 HydrophobicContact CG1-CD1 4.2Å; V209-L232 HydrophobicContact CG1-CD2 4.25Å; A228-L232 PolarHBondContact O-N 3.46Å; K229-L232 HydrophobicContact CD-CD1 3.58Å; F230-L232 VanDerWaalsContact C-N 3.27Å; F230-L232 PolarHBondContact O-N 2.95Å; L232-F236 HydrophobicContact CB-CD2 4.25Å; L232-F236 HydrophobicContact CD2-CD2 4.02Å; L232-F236 HydrophobicContact CD2-CE2 3.58Å; L232-F236 WeakPolarHBondContact O-CB 3.48Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 2.74Å; L232-M254 HydrophobicContact CB-CE 4.16Å
233D93.8Very high94.3Very high38 Ų3839.4 Ų39.420%0.20322%0.222CC..Hα-helixtrans-65.6-40.5-178.3-161.350000112R216 F230 A231 G237R216-D233 WeakPolarHBondContact CD-OD2 3.28Å; R216-D233 IonicContact CZ-OD1 3.13Å; R216-D233 IonicContact CZ-OD2 3.42Å; R216-D233 IonicContact NE-OD1 2.94Å; R216-D233 PolarHBondContact NE-OD1 3.11Å; R216-D233 IonicContact NE-OD2 3.02Å; R216-D233 PolarHBondContact NE-OD2 3.47Å; R216-D233 IonicContact NH2-OD1 2.68Å; R216-D233 PolarHBondContact NH2-OD1 2.91Å; R216-D233 IonicContact NH2-OD2 3.67Å; F230-D233 WeakPolarHBondContact O-CB 3.48Å; F230-D233 PolarHBondContact O-N 3.34Å; F230-D233 VanDerWaalsContact O-N 3.08Å; A231-D233 VanDerWaalsContact C-N 3.32Å; A231-D233 PolarHBondContact O-N 3.04Å; D233-G237 WeakPolarHBondContact O-CA 3.49Å; D233-G237 PolarHBondContact O-N 3.4Å
234G96.1Very high94.8Very high51 Ų5140.1 Ų40.153%0.52622%0.223SC..Hα-helixtrans-65.3-53.3175.500000112.1F230 A231 G237 S238F230-G234 PolarHBondContact O-N 3.25Å; A231-G234 PolarHBondContact O-N 2.77Å; G234-G237 PolarHBondContact O-N 3.46Å; G234-S238 PolarHBondContact O-N 3.28Å
235F98.5Very high95.2Very high72 Ų7245.7 Ų45.732%0.31626%0.257SS..Hα-helixtrans-64.4-55.4-176-177.4-89.1000112.4F186 V190 A231 G237 S238 L239F186-F235 HydrophobicContact CE2-CB 3.63Å; F186-F235 HydrophobicContact CE2-CD2 4.48Å; F186-F235 HydrophobicContact CE2-CG 4.07Å; F186-F235 HydrophobicContact CZ-CB 4.07Å; F186-F235 HydrophobicContact CZ-CD2 4.22Å; F186-F235 HydrophobicContact CZ-CG 4.28Å; V190-F235 HydrophobicContact CB-CE1 4.42Å; V190-F235 HydrophobicContact CB-CZ 4.21Å; V190-F235 HydrophobicContact CG1-CE1 4.29Å; V190-F235 HydrophobicContact CG1-CE2 3.97Å; V190-F235 HydrophobicContact CG1-CZ 3.63Å; V190-F235 HydrophobicContact CG2-CD1 3.96Å; V190-F235 HydrophobicContact CG2-CD2 4.06Å; V190-F235 HydrophobicContact CG2-CE1 3.79Å; V190-F235 HydrophobicContact CG2-CE2 3.88Å; V190-F235 HydrophobicContact CG2-CG 4.11Å; V190-F235 HydrophobicContact CG2-CZ 3.76Å; A231-F235 WeakPolarHBondContact O-CB 3.29Å; A231-F235 PolarHBondContact O-N 3.37Å; F235-G237 VanDerWaalsContact C-N 3.25Å; F235-G237 PolarHBondContact O-N 2.99Å; F235-S238 PolarHBondContact O-N 3.07Å; F235-S238 VanDerWaalsContact O-N 3.15Å; F235-L239 HydrophobicContact CE1-CD2 4.21Å; F235-L239 PolarHBondContact O-N 2.76Å
236F98.3Very high95.7Very high0 Ų049.1 Ų49.10%028%0.275CS..Hα-helixtrans-73-20.9-178.6-70.6-69.1000112.7L160 Y189 T193 L207 V209 L232 L239 R240 I252 M254L160-F236 HydrophobicContact CD1-CZ 3.93Å; Y189-F236 HydrophobicContact CD2-CE2 4.25Å; T193-F236 HydrophobicContact CG2-CE1 4.07Å; T193-F236 WeakPolarHBondContact OG1-CE1 3.09Å; T193-F236 WeakPolarHBondContact OG1-CZ 3.45Å; L207-F236 HydrophobicContact CD2-CD1 3.76Å; L207-F236 HydrophobicContact CD2-CE1 3.55Å; V209-F236 HydrophobicContact CB-CD2 4.42Å; V209-F236 HydrophobicContact CG1-CD2 3.84Å; V209-F236 HydrophobicContact CG1-CE2 3.99Å; V209-F236 HydrophobicContact CG2-CD1 3.92Å; V209-F236 HydrophobicContact CG2-CD2 3.86Å; V209-F236 HydrophobicContact CG2-CE1 4.1Å; V209-F236 HydrophobicContact CG2-CE2 4.02Å; V209-F236 HydrophobicContact CG2-CG 3.81Å; V209-F236 HydrophobicContact CG2-CZ 4.13Å; L232-F236 HydrophobicContact CB-CD2 4.25Å; L232-F236 HydrophobicContact CD2-CD2 4.02Å; L232-F236 HydrophobicContact CD2-CE2 3.58Å; L232-F236 WeakPolarHBondContact O-CB 3.48Å; L232-F236 WeakPolarHBondContact O-CD2 3.47Å; L232-F236 PolarHBondContact O-N 2.74Å; F236-L239 HydrophobicContact CD1-CD2 4.18Å; F236-L239 HydrophobicContact CE1-CD2 4.33Å; F236-R240 WeakPolarHBondContact O-CB 3.35Å; F236-R240 PolarHBondContact O-N 3.31Å; F236-I252 HydrophobicContact CB-CG2 4.06Å; F236-I252 HydrophobicContact CD1-CG2 4.29Å; F236-M254 HydrophobicContact CB-SD 3.68Å; F236-M254 HydrophobicContact CG-SD 4.34Å
237G96.4Very high96.1Very high23 Ų2355.9 Ų55.924%0.23731%0.31CS..Hα-helixtrans-64.2-47.8166.500000112.4D233 G234 F235D233-G237 WeakPolarHBondContact O-CA 3.49Å; D233-G237 PolarHBondContact O-N 3.4Å; G234-G237 PolarHBondContact O-N 3.46Å; F235-G237 VanDerWaalsContact C-N 3.25Å; F235-G237 PolarHBondContact O-N 2.99Å
238S97.9Very high96.4Very high60 Ų6055.4 Ų55.442%0.4230%0.302SS..Hα-helixtrans-65.3-51.4176.2-164.60000111.5G234 F235 R240 R241 E242G234-S238 PolarHBondContact O-N 3.28Å; F235-S238 PolarHBondContact O-N 3.07Å; F235-S238 VanDerWaalsContact O-N 3.15Å; S238-R240 PolarHBondContact O-N 3.07Å; S238-R241 WeakPolarHBondContact O-CA 3.37Å; S238-R241 WeakPolarHBondContact O-CB 3.37Å; S238-R241 PolarHBondContact O-N 3.13Å; S238-E242 PolarHBondContact O-N 2.98Å; S238-E242 PolarHBondContact OG-OE1 2.97Å
239L98.3Very high96.5Very high19 Ų1959.5 Ų59.510%0.09932%0.324CS..Hα-helixtrans-55.7-40.5-179.6-17961.3000111.7T193 F235 F236 R241 E242 L243 I252T193-L239 HydrophobicContact CG2-CD2 3.76Å; F235-L239 HydrophobicContact CE1-CD2 4.21Å; F235-L239 PolarHBondContact O-N 2.76Å; F236-L239 HydrophobicContact CD1-CD2 4.18Å; F236-L239 HydrophobicContact CE1-CD2 4.33Å; L239-R241 PolarHBondContact O-N 2.93Å; L239-E242 PolarHBondContact O-N 3.28Å; L239-L243 HydrophobicContact CD1-CD1 4.39Å; L239-L243 HydrophobicContact CD1-CD2 4.44Å; L239-L243 HydrophobicContact CD1-CG 4.17Å; L239-L243 HydrophobicContact CG-CD1 4.16Å; L239-L243 HydrophobicContact CG-CG 4.37Å; L239-L243 VanDerWaalsContact O-CG 3.28Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 3.31Å; L239-I252 HydrophobicContact CB-CD1 4.12Å; L239-I252 HydrophobicContact CD2-CD1 3.85Å; L239-I252 HydrophobicContact CG-CD1 3.77Å
240R97.6Very high96.8Very high45 Ų4559.9 Ų59.917%0.1733%0.326CS..Hα-helixtrans-59-37.3175.8-170.8-170.5-64.7106.8-4.8112.2F236 S238 D244 I252 A296F236-R240 WeakPolarHBondContact O-CB 3.35Å; F236-R240 PolarHBondContact O-N 3.31Å; S238-R240 PolarHBondContact O-N 3.07Å; R240-D244 WeakPolarHBondContact O-CB 3.23Å; R240-D244 PolarHBondContact O-N 3.16Å; R240-I252 HydrophobicContact CB-CB 4.31Å; R240-I252 HydrophobicContact CB-CD1 4.11Å; R240-I252 HydrophobicContact CB-CG1 4.49Å; R240-I252 HydrophobicContact CG-CB 4.37Å; R240-I252 VanDerWaalsContact CZ-O 3.29Å; R240-I252 PolarHBondContact NE-O 3.09Å; R240-I252 PolarHBondContact NH2-O 2.91Å; R240-A296 PolarHBondContact NH2-O 3.45Å
241R96.8Very high97Very high121 Ų12157.4 Ų57.446%0.45732%0.318SS..Hα-helixtrans-76.1-36178.5-66.5-75.96671.30.5112.2S238 L239 D244 V245S238-R241 WeakPolarHBondContact O-CA 3.37Å; S238-R241 WeakPolarHBondContact O-CB 3.37Å; S238-R241 PolarHBondContact O-N 3.13Å; L239-R241 PolarHBondContact O-N 2.93Å; R241-D244 IonicContact CZ-OD2 3.44Å; R241-D244 IonicContact NE-OD2 3.25Å; R241-D244 PolarHBondContact NE-OD2 3.36Å; R241-D244 IonicContact NH2-OD1 3.04Å; R241-D244 IonicContact NH2-OD2 2.77Å; R241-D244 PolarHBondContact NH2-OD2 3.45Å; R241-D244 PolarHBondContact O-N 3.31Å; R241-V245 WeakPolarHBondContact O-CG2 3.23Å; R241-V245 PolarHBondContact O-N 3.25Å
242E97.8Very high97.1Very high92 Ų9256.3 Ų56.343%0.4331%0.308SS..Hα-helixtrans-61.2-48.5173.8-69.2162.2-142.200110.9S238 L239 D244 V245 Q246S238-E242 PolarHBondContact O-N 2.98Å; S238-E242 PolarHBondContact OG-OE1 2.97Å; L239-E242 PolarHBondContact O-N 3.28Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 2.84Å; E242-V245 PolarHBondContact O-N 2.85Å; E242-Q246 WeakPolarHBondContact O-CB 3.34Å; E242-Q246 VanDerWaalsContact O-CG 3.23Å; E242-Q246 WeakPolarHBondContact O-CG 3.17Å; E242-Q246 PolarHBondContact O-N 3.19Å
243L97.1Very high97.1Very high6 Ų656.3 Ų56.33%0.03131%0.308CS..Hα-helixtrans-62.5-36.8178.1-63.7175.4000112.8L197 L239 Q246 D247 V248 V250 I252L197-L243 HydrophobicContact CD1-CD1 4.34Å; L197-L243 HydrophobicContact CD1-CD2 4.31Å; L197-L243 HydrophobicContact CD2-CD2 4.36Å; L239-L243 HydrophobicContact CD1-CD1 4.39Å; L239-L243 HydrophobicContact CD1-CD2 4.44Å; L239-L243 HydrophobicContact CD1-CG 4.17Å; L239-L243 HydrophobicContact CG-CD1 4.16Å; L239-L243 HydrophobicContact CG-CG 4.37Å; L239-L243 VanDerWaalsContact O-CG 3.28Å; L239-L243 WeakPolarHBondContact O-CG 3.42Å; L239-L243 PolarHBondContact O-N 3.31Å; L243-Q246 CarbonylContact O-C 3.46Å; L243-Q246 PolarHBondContact O-N 3.01Å; L243-D247 PolarHBondContact O-N 3.47Å; L243-D247 VanDerWaalsContact O-N 3.13Å; L243-V248 HydrophobicContact CB-CB 4.19Å; L243-V248 HydrophobicContact CD2-CB 3.9Å; L243-V248 HydrophobicContact CD2-CG1 3.81Å; L243-V248 HydrophobicContact CD2-CG2 4.4Å; L243-V248 PolarHBondContact O-N 3.18Å; L243-V250 HydrophobicContact CD1-CB 4.17Å; L243-V250 HydrophobicContact CD1-CG1 4.48Å; L243-I252 HydrophobicContact CD1-CD1 3.89Å; L243-I252 HydrophobicContact CD1-CG1 4.36Å
244D94.4Very high97.3Very high101 Ų10154.6 Ų54.654%0.5430%0.299SS..Hα-helixtrans-65.7-43.9176.8-175.653.5000112.1R240 R241 E242 Q246 D247R240-D244 WeakPolarHBondContact O-CB 3.23Å; R240-D244 PolarHBondContact O-N 3.16Å; R241-D244 IonicContact CZ-OD2 3.44Å; R241-D244 IonicContact NE-OD2 3.25Å; R241-D244 PolarHBondContact NE-OD2 3.36Å; R241-D244 IonicContact NH2-OD1 3.04Å; R241-D244 IonicContact NH2-OD2 2.77Å; R241-D244 PolarHBondContact NH2-OD2 3.45Å; R241-D244 PolarHBondContact O-N 3.31Å; E242-D244 VanDerWaalsContact C-N 3.3Å; E242-D244 PolarHBondContact O-N 2.84Å; D244-Q246 VanDerWaalsContact C-N 3.27Å; D244-Q246 PolarHBondContact O-N 3.13Å; D244-D247 PolarHBondContact O-N 3.46Å
245V96.8Very high97.3Very high128 Ų12852.2 Ų52.278%0.77627%0.274SS*.Hα-helixtrans-68.4-29175.7172.10000111.9R241 E242 D247R241-V245 WeakPolarHBondContact O-CG2 3.23Å; R241-V245 PolarHBondContact O-N 3.25Å; E242-V245 PolarHBondContact O-N 2.85Å; V245-D247 VanDerWaalsContact C-N 3.32Å
246Q96.9Very high96.9Very high127 Ų12748.8 Ų48.859%0.59326%0.259SS*.THydrogen-bonded Turntrans-860.8177.7-68.7171.8-1.500113.8E242 L243 D244 V248E242-Q246 WeakPolarHBondContact O-CB 3.34Å; E242-Q246 VanDerWaalsContact O-CG 3.23Å; E242-Q246 WeakPolarHBondContact O-CG 3.17Å; E242-Q246 PolarHBondContact O-N 3.19Å; L243-Q246 CarbonylContact O-C 3.46Å; L243-Q246 PolarHBondContact O-N 3.01Å; D244-Q246 VanDerWaalsContact C-N 3.27Å; D244-Q246 PolarHBondContact O-N 3.13Å; Q246-V248 HydrophobicContact CB-CG2 3.92Å; Q246-V248 PolarHBondContact O-N 2.86Å
247D95.7Very high96.5Very high153 Ų15349 Ų4982%0.81826%0.26SS*.THydrogen-bonded Turntrans55.333.6-174.5-160.934.5000113.7L243 D244 V245L243-D247 PolarHBondContact O-N 3.47Å; L243-D247 VanDerWaalsContact O-N 3.13Å; D244-D247 PolarHBondContact O-N 3.46Å; V245-D247 VanDerWaalsContact C-N 3.32Å
248V97.5Very high95.7Very high36 Ų3648.4 Ų48.422%0.21825%0.254CS..  trans-91.1113.7176.7176.30000109.7T201 L243 Q246 V250T201-V248 HydrophobicContact CG2-CG1 3.89Å; T201-V248 WeakPolarHBondContact OG1-CG1 3.47Å; L243-V248 HydrophobicContact CB-CB 4.19Å; L243-V248 HydrophobicContact CD2-CB 3.9Å; L243-V248 HydrophobicContact CD2-CG1 3.81Å; L243-V248 HydrophobicContact CD2-CG2 4.4Å; L243-V248 PolarHBondContact O-N 3.18Å; Q246-V248 HydrophobicContact CB-CG2 3.92Å; Q246-V248 PolarHBondContact O-N 2.86Å; V248-V250 HydrophobicContact CG1-CB 4.46Å; V248-V250 HydrophobicContact CG1-CG2 3.95Å; V248-V250 PolarHBondContact O-N 3.13Å
249N97Very high94.3Very high86 Ų8647.9 Ų47.946%0.4625%0.246SC..  trans-81.357.9-174.1-167.14.6000114.1K204 R294K204-N249 CarbonylContact C-O 3.24Å; K204-N249 VanDerWaalsContact C-O 3.31Å; K204-N249 WeakPolarHBondContact CA-O 3.23Å; K204-N249 HydrophobicContact CB-CB 4.34Å; K204-N249 WeakPolarHBondContact CB-O 3.38Å; K204-N249 HydrophobicContact CG-CB 4.25Å; N249-R294 PolarHBondContact O-NH2 2.84Å; N249-R294 PolarHBondContact OD1-NH2 3.19Å
250V98.4Very high92.8Very high10 Ų1050 Ų506%0.06125%0.253CS..  trans-110.7122.7171.8175.90000109.5L197 L200 L243 V248L197-V250 HydrophobicContact CD1-CG1 4.44Å; L197-V250 HydrophobicContact CD1-CG2 4.44Å; L200-V250 HydrophobicContact CB-CG1 4.15Å; L200-V250 HydrophobicContact CB-CG2 4.09Å; L200-V250 WeakPolarHBondContact O-CG2 3.23Å; L243-V250 HydrophobicContact CD1-CB 4.17Å; L243-V250 HydrophobicContact CD1-CG1 4.48Å; V248-V250 HydrophobicContact CG1-CB 4.46Å; V248-V250 HydrophobicContact CG1-CG2 3.95Å; V248-V250 PolarHBondContact O-N 3.13Å
251A97.9Very high90.7Very high11 Ų1154.1 Ų54.19%0.09128%0.278CS..EExtended strand (participates in β ladder)trans-79.6139.617700000110.8G205 S206 L207 R294G205-A251 PolarHBondContact O-N 2.74Å; S206-A251 CarbonylContact C-O 3.58Å; S206-A251 WeakPolarHBondContact CA-O 3.45Å; L207-A251 PolarHBondContact N-O 3.29Å; A251-R294 HydrophobicContact CB-CB 3.64Å; A251-R294 HydrophobicContact CB-CG 3.79Å; A251-R294 VanDerWaalsContact CB-CZ 3.44Å
252I98.5Very high88.9Confident4 Ų453.8 Ų53.82%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-118.8116.7171-54.6-173.2000109.2L207 V209 F236 L239 R240 L243L207-I252 HydrophobicContact CB-CG1 4.26Å; L207-I252 HydrophobicContact CD2-CD1 4.14Å; L207-I252 HydrophobicContact CD2-CG1 4.16Å; L207-I252 HydrophobicContact CD2-CG2 4.35Å; L207-I252 CarbonylContact O-C 3.38Å; L207-I252 WeakPolarHBondContact O-CA 3.24Å; V209-I252 HydrophobicContact CG2-CG2 4.48Å; F236-I252 HydrophobicContact CB-CG2 4.06Å; F236-I252 HydrophobicContact CD1-CG2 4.29Å; L239-I252 HydrophobicContact CB-CD1 4.12Å; L239-I252 HydrophobicContact CD2-CD1 3.85Å; L239-I252 HydrophobicContact CG-CD1 3.77Å; R240-I252 HydrophobicContact CB-CB 4.31Å; R240-I252 HydrophobicContact CB-CD1 4.11Å; R240-I252 HydrophobicContact CB-CG1 4.49Å; R240-I252 HydrophobicContact CG-CB 4.37Å; R240-I252 VanDerWaalsContact CZ-O 3.29Å; R240-I252 PolarHBondContact NE-O 3.09Å; R240-I252 PolarHBondContact NH2-O 2.91Å; L243-I252 HydrophobicContact CD1-CD1 3.89Å; L243-I252 HydrophobicContact CD1-CG1 4.36Å
253T98.2Very high86.7Confident0 Ų053.1 Ų53.10%029%0.287CS..EExtended strand (participates in β ladder)trans-108.8118.2-179.8-59.50000110.8L207 V209 G290 A295 V298L207-T253 PolarHBondContact O-N 3.34Å; V209-T253 PolarHBondContact N-O 2.96Å; T253-G290 PolarHBondContact OG1-O 2.8Å; T253-A295 WeakPolarHBondContact CA-O 3.34Å; T253-A295 VanDerWaalsContact CB-O 3.22Å; T253-A295 WeakPolarHBondContact CB-O 3.24Å; T253-A295 VanDerWaalsContact CG2-O 3.23Å; T253-A295 WeakPolarHBondContact CG2-O 3.29Å; T253-A295 PolarHBondContact OG1-O 2.94Å; T253-V298 HydrophobicContact CG2-CG2 3.81Å
254M97.3Very high84.5Confident2 Ų256.3 Ų56.31%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-92.3115.4174.2-67.7-60.6-6100111V209 L232 F236 A296 G297 V298V209-M254 HydrophobicContact CB-CE 4.29Å; V209-M254 HydrophobicContact CB-SD 3.64Å; V209-M254 HydrophobicContact CG1-CE 3.94Å; V209-M254 HydrophobicContact CG1-SD 3.86Å; V209-M254 HydrophobicContact CG2-SD 4.14Å; L232-M254 HydrophobicContact CB-CE 4.16Å; F236-M254 HydrophobicContact CB-SD 3.68Å; F236-M254 HydrophobicContact CG-SD 4.34Å; M254-A296 PolarHBondContact N-O 3.23Å; M254-A296 VanDerWaalsContact N-O 3.09Å; M254-G297 CarbonylContact O-C 3.54Å; M254-G297 WeakPolarHBondContact O-CA 3.39Å; M254-V298 PolarHBondContact O-N 3.19Å
255C95.1Very high82.6Confident0 Ų053.1 Ų53.10%030%0.297CS..EExtended strand (participates in β ladder)trans-100.9110-179.7-54.90000111.7V209 S211 V287 V298V209-C255 PolarHBondContact O-N 3.43Å; S211-C255 CarbonylContact C-O 3.31Å; S211-C255 VanDerWaalsContact C-O 3.24Å; S211-C255 VanDerWaalsContact CA-O 3.27Å; S211-C255 WeakPolarHBondContact CA-O 3.46Å; S211-C255 PolarHBondContact N-O 3.32Å; C255-V287 HydrophobicContact CB-CG2 3.91Å; C255-V298 CarbonylContact C-O 3.52Å; C255-V298 HydrophobicContact CB-CB 4.29Å
256V91.9Very high80.7Confident1 Ų148.5 Ų48.51%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-95.1103.2178.1-178.90000109.3R216 V298 F299 Y300R216-V256 HydrophobicContact CG-CG1 4.37Å; R216-V256 HydrophobicContact CG-CG2 3.98Å; V256-V298 PolarHBondContact N-O 3.41Å; V256-F299 HydrophobicContact CB-CD1 3.66Å; V256-F299 HydrophobicContact CB-CE1 3.86Å; V256-F299 HydrophobicContact CB-CG 4.4Å; V256-F299 HydrophobicContact CG1-CD1 3.94Å; V256-F299 HydrophobicContact CG1-CE1 4.15Å; V256-F299 HydrophobicContact CG2-CD1 4.06Å; V256-F299 HydrophobicContact CG2-CE1 3.72Å; V256-F299 HydrophobicContact CG2-CZ 4.28Å; V256-Y300 PolarHBondContact O-N 3.4Å
257L88.7Confident78.6Confident3 Ų348.3 Ų48.32%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-106.3151.3-176.5-54-178.6000112.8V88 V210 S211 S212 L213 V287 Y300V88-L257 HydrophobicContact CG1-CD1 4.32Å; V210-L257 HydrophobicContact CG1-CD1 3.51Å; V210-L257 HydrophobicContact CG1-CG 4.24Å; S211-L257 PolarHBondContact O-N 3.09Å; S212-L257 WeakPolarHBondContact CA-O 3.48Å; S212-L257 PolarHBondContact OG-O 3.31Å; L213-L257 PolarHBondContact N-O 2.86Å; L213-L257 VanDerWaalsContact N-O 3.13Å; L257-V287 HydrophobicContact CD1-CG2 3.97Å; L257-V287 HydrophobicContact CD2-CG2 4Å; L257-V287 HydrophobicContact CG-CG2 4.47Å; L257-Y300 WeakPolarHBondContact CA-O 3.44Å
258G80.4Confident76.7Confident11 Ų1145 Ų4511%0.11327%0.266CS..  trans-86.7-179175.200000116.8R260 Y300G258-R260 WeakPolarHBondContact O-CG 3.47Å; G258-Y300 PolarHBondContact N-O 3.25Å
259L68.8Low74.7Confident50 Ų5045 Ų4526%0.26227%0.266SS..  trans-58.7142.8177.5-172.368.1000110.1V269 T273 V275 A277 A278L259-V269 HydrophobicContact CD1-CG1 4.15Å; L259-V269 HydrophobicContact CD1-CG2 3.92Å; L259-V269 HydrophobicContact CD2-CG2 3.88Å; L259-V269 HydrophobicContact CG-CG2 4.45Å; L259-T273 HydrophobicContact CD2-CG2 4.46Å; L259-V275 HydrophobicContact CB-CG1 4.39Å; L259-V275 HydrophobicContact CD2-CB 4.27Å; L259-V275 WeakPolarHBondContact CD2-O 3.35Å; L259-A277 WeakPolarHBondContact O-CA 3.36Å; L259-A278 PolarHBondContact O-N 2.82Å
260R66.1Low72.6Confident64 Ų6449.8 Ų49.824%0.24228%0.277CS..BIsolated β-bridgetrans-120.4152.9-168.2-58.7-179.1-177.1173.8-4.7112V88 G258 R262V88-R260 VanDerWaalsContact CB-CZ 3.49Å; V88-R260 VanDerWaalsContact CG2-NE 3.35Å; G258-R260 WeakPolarHBondContact O-CG 3.47Å; R260-R262 PolarHBondContact O-N 3.02Å; R260-R262 VanDerWaalsContact O-N 3.11Å
261D53.8Low70.6Confident130 Ų13051.1 Ų51.170%0.69529%0.293SS*.  trans-88.534.3-169.5-160.416.5000112.8A277D261-A277 VanDerWaalsContact CA-CB 3.41Å; D261-A277 HydrophobicContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact N-CB 3.29Å
262R59.2Low68.6Low115 Ų11552.2 Ų52.243%0.43430%0.299SS..  trans-85.7139.9178.5-169.3-170.7-179.61456.1108.4A86 R260 S264 A265 A266A86-R262 VanDerWaalsContact CB-CZ 3.5Å; R260-R262 PolarHBondContact O-N 3.02Å; R260-R262 VanDerWaalsContact O-N 3.11Å; R262-S264 VanDerWaalsContact C-N 3.31Å; R262-S264 PolarHBondContact O-N 3.17Å; R262-A265 HydrophobicContact CB-CB 3.99Å; R262-A265 PolarHBondContact O-N 3.04Å; R262-A266 WeakPolarHBondContact O-CB 3.23Å; R262-A266 PolarHBondContact O-N 2.85Å
263A50.3Low66.6Low77 Ų7754.2 Ų54.264%0.63631%0.311SS*.Hα-helixtrans-40.5-56.9167.900000112.3A265 E267A263-A265 PolarHBondContact O-N 2.94Å; A263-E267 WeakPolarHBondContact O-CA 3.14Å; A263-E267 WeakPolarHBondContact O-CB 3.23Å; A263-E267 PolarHBondContact O-N 2.68Å
264S50.7Low64.5Low74 Ų7462 Ų6252%0.51734%0.34SS..Hα-helixtrans-66.2-36.2179.4161.80000115.4R262 A268R262-S264 VanDerWaalsContact C-N 3.31Å; R262-S264 PolarHBondContact O-N 3.17Å; S264-A268 VanDerWaalsContact O-CB 3.27Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å
265A56.4Low62.8Low33 Ų3363.8 Ų63.827%0.27335%0.351SS..Hα-helixtrans-77.2-39.6179.300000111.4R262 A263 E267 V269R262-A265 HydrophobicContact CB-CB 3.99Å; R262-A265 PolarHBondContact O-N 3.04Å; A263-A265 PolarHBondContact O-N 2.94Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.14Å
266A56.3Low61Low32 Ų3272.7 Ų72.726%0.26439%0.39SS..Hα-helixtrans-67.5-33.9173.600000111.2R262 V269 R270R262-A266 WeakPolarHBondContact O-CB 3.23Å; R262-A266 PolarHBondContact O-N 2.85Å; A266-V269 CarbonylContact O-C 3.57Å; A266-R270 VanDerWaalsContact O-CA 3.23Å; A266-R270 WeakPolarHBondContact O-CA 3.42Å; A266-R270 VanDerWaalsContact O-CB 3.23Å; A266-R270 WeakPolarHBondContact O-CB 3.44Å; A266-R270 PolarHBondContact O-N 3.05Å
267E51.6Low59.7Low123 Ų12374.4 Ų74.458%0.57540%0.404SS*.Hα-helixtrans-72.9-42.9175.2-170.5153.4-143.200111.9A263 A265 V269 R270A263-E267 WeakPolarHBondContact O-CA 3.14Å; A263-E267 WeakPolarHBondContact O-CB 3.23Å; A263-E267 PolarHBondContact O-N 2.68Å; A265-E267 VanDerWaalsContact C-N 3.33Å; E267-V269 PolarHBondContact O-N 2.95Å; E267-V269 VanDerWaalsContact O-N 3.14Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3.25Å
268A56.2Low58.4Low83 Ų8375.3 Ų75.369%0.68641%0.412SS*.Hα-helixtrans-61.6-21.6174.500000114S264S264-A268 VanDerWaalsContact O-CB 3.27Å; S264-A268 WeakPolarHBondContact O-CB 3.47Å; S264-A268 PolarHBondContact O-N 3.27Å
269V56.3Low57.5Low37 Ų3778.2 Ų78.222%0.22443%0.429CS..THydrogen-bonded Turntrans-115.17.8174.5-52.60000113L259 A265 A266 E267 G271 V272 T273L259-V269 HydrophobicContact CD1-CG1 4.15Å; L259-V269 HydrophobicContact CD1-CG2 3.92Å; L259-V269 HydrophobicContact CD2-CG2 3.88Å; L259-V269 HydrophobicContact CG-CG2 4.45Å; A265-V269 WeakPolarHBondContact O-CG2 3.34Å; A265-V269 PolarHBondContact O-N 3.14Å; A266-V269 CarbonylContact O-C 3.57Å; E267-V269 PolarHBondContact O-N 2.95Å; E267-V269 VanDerWaalsContact O-N 3.14Å; V269-G271 PolarHBondContact O-N 3.34Å; V269-V272 PolarHBondContact O-N 3.06Å; V269-T273 PolarHBondContact O-N 3.12Å
270R53.2Low57.8Low186 Ų18677 Ų7770%0.70243%0.428SS*.THydrogen-bonded Turntrans-63.6125.5-176.2-176.8177.2-79.8-160.2-1.4108A266 E267 V272A266-R270 VanDerWaalsContact O-CA 3.23Å; A266-R270 WeakPolarHBondContact O-CA 3.42Å; A266-R270 VanDerWaalsContact O-CB 3.23Å; A266-R270 WeakPolarHBondContact O-CB 3.44Å; A266-R270 PolarHBondContact O-N 3.05Å; E267-R270 WeakPolarHBondContact O-CB 3.43Å; E267-R270 PolarHBondContact O-N 3.25Å; R270-V272 PolarHBondContact O-N 2.98Å
271G54.8Low58.7Low38 Ų3876.6 Ų76.639%0.39243%0.434SS..THydrogen-bonded Turntrans78.4-11.4-176.900000114.7V269 N327 A330V269-G271 PolarHBondContact O-N 3.34Å; G271-N327 WeakPolarHBondContact O-CB 3.07Å; G271-N327 PolarHBondContact O-ND2 3.01Å; G271-A330 WeakPolarHBondContact O-CB 3.08Å
272V57.2Low60.3Low34 Ų3477.2 Ų77.221%0.20643%0.43CS..THydrogen-bonded Turntrans-95.5-34.7-179.7179.90000112.7F221 V269 R270 L326 N327 A331F221-V272 HydrophobicContact CD2-CG1 4.04Å; V269-V272 PolarHBondContact O-N 3.06Å; R270-V272 PolarHBondContact O-N 2.98Å; V272-L326 HydrophobicContact CG1-CD2 4.26Å; V272-L326 CarbonylContact O-C 3.53Å; V272-L326 WeakPolarHBondContact O-CA 3.06Å; V272-N327 PolarHBondContact O-N 3.03Å; V272-A331 HydrophobicContact CG1-CB 4.5Å
273T56.2Low61.7Low45 Ų4572 Ų7228%0.27641%0.412SS..BIsolated β-bridgetrans-130.4141.3-173.7-62.60000112.2L259 V269 V275 E325L259-T273 HydrophobicContact CD2-CG2 4.46Å; V269-T273 PolarHBondContact O-N 3.12Å; T273-V275 HydrophobicContact CG2-CB 3.68Å; T273-V275 HydrophobicContact CG2-CG2 3.59Å; T273-E325 CarbonylContact C-O 3.58Å; T273-E325 WeakPolarHBondContact CA-O 3.42Å
274R54.8Low63.8Low163 Ų16368.3 Ų68.362%0.61538%0.381SS*.  trans-93.1-3.7179.4-61.3178.7-179.1173.1-3.1114Q324 E325R274-Q324 PolarHBondContact NH1-O 3.43Å; R274-E325 PolarHBondContact N-O 2.93Å
275V60.5Low65.8Low40 Ų4067.2 Ų67.224%0.24237%0.37CS..PPolyproline II helixtrans-69.3130.9-176.2178.90000111L259 T273 E325L259-V275 HydrophobicContact CB-CG1 4.39Å; L259-V275 HydrophobicContact CD2-CB 4.27Å; L259-V275 WeakPolarHBondContact CD2-O 3.35Å; T273-V275 HydrophobicContact CG2-CB 3.68Å; T273-V275 HydrophobicContact CG2-CG2 3.59Å; V275-E325 HydrophobicContact CG2-CB 4.1Å; V275-E325 HydrophobicContact CG2-CG 4.14Å; V275-E325 WeakPolarHBondContact CG2-OE2 3.4Å
276K58.6Low67.5Low188 Ų18866.8 Ų66.882%0.81737%0.366SS*.PPolyproline II helixtrans-72.4138174.8-69.4-174.5178.7-177.50111.4
277A64.5Low69.4Low37 Ų3765.3 Ų65.331%0.30635%0.354SS..PPolyproline II helixtrans-70.5145.2176.200000113.1L259 D261L259-A277 WeakPolarHBondContact O-CA 3.36Å; D261-A277 VanDerWaalsContact CA-CB 3.41Å; D261-A277 HydrophobicContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact CB-CB 3.49Å; D261-A277 VanDerWaalsContact N-CB 3.29Å
278A60.6Low71.5Confident22 Ų2259.4 Ų59.418%0.18233%0.326CS..BIsolated β-bridgetrans-93.7148.3176.500000112.1L259 G280 Y300L259-A278 PolarHBondContact O-N 2.82Å; A278-G280 PolarHBondContact O-N 3.5Å; A278-Y300 HydrophobicContact CB-CD1 4.39Å; A278-Y300 HydrophobicContact CB-CE1 3.92Å
279P61.7Low73.4Confident72 Ų7259.5 Ų59.547%0.46831%0.309SS..PPolyproline II helixtrans-64.8130.5-179.6-18.630.6000112.6A283P279-A283 PolarHBondContact O-N 3.26Å
280G75Confident75.2Confident23 Ų2358 Ų5824%0.23730%0.301CS..Hα-helixtrans-57.2-49.1-179.500000115.1A278 K282 A283 A284A278-G280 PolarHBondContact O-N 3.5Å; G280-K282 PolarHBondContact O-N 3.49Å; G280-A283 PolarHBondContact O-N 3.28Å; G280-A284 PolarHBondContact O-N 2.73Å
281P84.8Confident77.3Confident57 Ų5749.1 Ų49.137%0.3727%0.267SS..Hα-helixtrans-63.6-38.1-174.9-24.732.4000114E91 H95 L285E91-P281 HydrophobicContact CG-CG 4.27Å; H95-P281 PolarHBondContact NE2-O 3.29Å; P281-L285 PolarHBondContact O-N 2.92Å; P281-L285 VanDerWaalsContact O-N 3.09Å
282K87.9Confident79.3Confident142 Ų14248.1 Ų48.162%0.61726%0.256SS*.Hα-helixtrans-73-37.2179.2-70-175.3178.2-179.20111.9G280 L285 A286 Y300G280-K282 PolarHBondContact O-N 3.49Å; K282-L285 PolarHBondContact O-N 2.93Å; K282-A286 PolarHBondContact O-N 3.49Å; K282-Y300 HydrophobicContact CB-CE2 4.39Å; K282-Y300 WeakPolarHBondContact CB-OH 3.49Å
283A88.8Confident81.1Confident5 Ų548.9 Ų48.94%0.04126%0.26CS..Hα-helixtrans-63.9-43.4174.300000111.4V88 P279 G280 A286 V287 Y300V88-A283 HydrophobicContact CG2-CB 4.4Å; P279-A283 PolarHBondContact O-N 3.26Å; G280-A283 PolarHBondContact O-N 3.28Å; A283-A286 PolarHBondContact O-N 2.84Å; A283-V287 WeakPolarHBondContact O-CG2 3.3Å; A283-V287 PolarHBondContact O-N 2.94Å; A283-V287 VanDerWaalsContact O-N 3.12Å; A283-Y300 HydrophobicContact CB-CD1 3.51Å; A283-Y300 HydrophobicContact CB-CE1 3.69Å; A283-Y300 HydrophobicContact CB-CG 4.28Å
284A92.9Very high83Confident0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-61.3-45.5176.300000111.9V88 E91 L92 G280 A286 V287 I288V88-A284 HydrophobicContact CG1-CB 4.23Å; E91-A284 HydrophobicContact CB-CB 3.59Å; L92-A284 HydrophobicContact CD2-CB 3.98Å; L92-A284 WeakPolarHBondContact CD2-O 3.3Å; L92-A284 HydrophobicContact CG-CB 3.95Å; G280-A284 PolarHBondContact O-N 2.73Å; A284-A286 VanDerWaalsContact C-N 3.33Å; A284-A286 PolarHBondContact O-N 3.15Å; A284-V287 WeakPolarHBondContact O-CB 3.11Å; A284-V287 PolarHBondContact O-N 3.24Å; A284-I288 WeakPolarHBondContact O-CG1 3.12Å; A284-I288 PolarHBondContact O-N 2.98Å
285L92.9Very high84.8Confident51 Ų5144.7 Ų44.727%0.26725%0.246SC..Hα-helixtrans-60.4-42.6176.3-175.161.4000111.9P281 K282 V287 I288 R289P281-L285 PolarHBondContact O-N 2.92Å; P281-L285 VanDerWaalsContact O-N 3.09Å; K282-L285 PolarHBondContact O-N 2.93Å; L285-V287 VanDerWaalsContact C-N 3.29Å; L285-V287 PolarHBondContact O-N 3.36Å; L285-I288 PolarHBondContact O-N 3.5Å; L285-R289 HydrophobicContact CD1-CG 4.31Å; L285-R289 HydrophobicContact CG-CG 4.34Å; L285-R289 VanDerWaalsContact O-CG 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.44Å; L285-R289 PolarHBondContact O-N 2.86Å
286A93.1Very high86.3Confident25 Ų2545.8 Ų45.821%0.20726%0.26CS..Hα-helixtrans-61-36.617700000112.9K282 A283 A284 G290 V298 Y300K282-A286 PolarHBondContact O-N 3.49Å; A283-A286 PolarHBondContact O-N 2.84Å; A284-A286 VanDerWaalsContact C-N 3.33Å; A284-A286 PolarHBondContact O-N 3.15Å; A286-G290 PolarHBondContact O-N 3.22Å; A286-G290 VanDerWaalsContact O-N 3.07Å; A286-V298 HydrophobicContact CB-CG1 4.17Å; A286-Y300 HydrophobicContact CB-CD2 4.01Å; A286-Y300 HydrophobicContact CB-CG 4.47Å
287V95.4Very high87.9Confident0 Ų038.1 Ų38.10%023%0.234CC..Hα-helixtrans-64-47.7174.3169.30000110.8L92 V208 V210 C255 L257 A283 A284 L285 G290 G291L92-V287 HydrophobicContact CD1-CG1 4.38Å; L92-V287 HydrophobicContact CD2-CB 3.96Å; L92-V287 HydrophobicContact CD2-CG1 3.81Å; V208-V287 HydrophobicContact CG1-CG1 3.61Å; V210-V287 HydrophobicContact CG2-CG1 4.16Å; C255-V287 HydrophobicContact CB-CG2 3.91Å; L257-V287 HydrophobicContact CD1-CG2 3.97Å; L257-V287 HydrophobicContact CD2-CG2 4Å; L257-V287 HydrophobicContact CG-CG2 4.47Å; A283-V287 WeakPolarHBondContact O-CG2 3.3Å; A283-V287 PolarHBondContact O-N 2.94Å; A283-V287 VanDerWaalsContact O-N 3.12Å; A284-V287 WeakPolarHBondContact O-CB 3.11Å; A284-V287 PolarHBondContact O-N 3.24Å; L285-V287 VanDerWaalsContact C-N 3.29Å; L285-V287 PolarHBondContact O-N 3.36Å; V287-G290 PolarHBondContact O-N 3.4Å; V287-G291 PolarHBondContact O-N 2.86Å
288I96.8Very high89.2Confident0 Ų037.2 Ų37.20%022%0.224CC..Hα-helixtrans-61.2-48.4179.3-68.5173.7000110.7F69 L74 L92 H95 Y96 L99 A284 L285 G290 G291 A292F69-I288 HydrophobicContact CE2-CG2 4.35Å; F69-I288 HydrophobicContact CZ-CG2 4.42Å; L74-I288 HydrophobicContact CD1-CG2 3.31Å; L92-I288 HydrophobicContact CD2-CD1 3.9Å; L92-I288 HydrophobicContact CD2-CG1 3.54Å; H95-I288 HydrophobicContact CB-CD1 3.26Å; Y96-I288 HydrophobicContact CD1-CD1 4.45Å; Y96-I288 HydrophobicContact CD2-CD1 3.95Å; Y96-I288 HydrophobicContact CD2-CG1 4.24Å; Y96-I288 HydrophobicContact CE1-CD1 4.47Å; Y96-I288 HydrophobicContact CE1-CG1 4.2Å; Y96-I288 HydrophobicContact CE1-CG2 4.12Å; Y96-I288 HydrophobicContact CE2-CD1 3.95Å; Y96-I288 HydrophobicContact CE2-CG1 3.72Å; Y96-I288 HydrophobicContact CG-CD1 4.19Å; L99-I288 HydrophobicContact CD1-CG2 4.01Å; A284-I288 WeakPolarHBondContact O-CG1 3.12Å; A284-I288 PolarHBondContact O-N 2.98Å; L285-I288 PolarHBondContact O-N 3.5Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 3.24Å; I288-G291 PolarHBondContact O-N 2.88Å; I288-A292 WeakPolarHBondContact O-CB 3.49Å; I288-A292 PolarHBondContact O-N 2.8Å
289R95.6Very high90.6Very high84 Ų8437.9 Ų37.932%0.31722%0.223SC..Hα-helixtrans-58.5-44.4178.7-70-167.1-179.6-167.4-6.7112.1D67 F69 L285 G291 A292 T293D67-R289 IonicContact OD1-CZ 3.77Å; D67-R289 IonicContact OD1-NH1 3.79Å; D67-R289 PolarHBondContact OD1-NH1 2.83Å; D67-R289 WeakPolarHBondContact OD2-CD 3.38Å; D67-R289 IonicContact OD2-NH1 2.75Å; D67-R289 PolarHBondContact OD2-NH1 2.85Å; F69-R289 HydrophobicContact CB-CB 4.45Å; F69-R289 HydrophobicContact CB-CG 4.16Å; F69-R289 HydrophobicContact CD1-CG 3.75Å; F69-R289 HydrophobicContact CD2-CB 4.19Å; F69-R289 HydrophobicContact CD2-CG 3.88Å; F69-R289 HydrophobicContact CE1-CG 4.06Å; F69-R289 HydrophobicContact CE2-CG 4.2Å; F69-R289 HydrophobicContact CG-CB 4.22Å; F69-R289 HydrophobicContact CG-CG 3.63Å; F69-R289 HydrophobicContact CZ-CG 4.28Å; L285-R289 HydrophobicContact CD1-CG 4.31Å; L285-R289 HydrophobicContact CG-CG 4.34Å; L285-R289 VanDerWaalsContact O-CG 3.31Å; L285-R289 WeakPolarHBondContact O-CG 3.44Å; L285-R289 PolarHBondContact O-N 2.86Å; R289-G291 PolarHBondContact O-N 2.96Å; R289-A292 PolarHBondContact O-N 3.44Å; R289-T293 WeakPolarHBondContact O-CB 3.34Å; R289-T293 WeakPolarHBondContact O-CG2 3.29Å; R289-T293 PolarHBondContact O-N 3.24Å; R289-T293 PolarHBondContact O-OG1 2.97Å
290G94.7Very high91.9Very high5 Ų536.9 Ų36.95%0.05221%0.211CC..Hα-helixtrans-65.1-38177.700000113.5T253 A286 V287 I288 T293 R294 A295T253-G290 PolarHBondContact OG1-O 2.8Å; A286-G290 PolarHBondContact O-N 3.22Å; A286-G290 VanDerWaalsContact O-N 3.07Å; V287-G290 PolarHBondContact O-N 3.4Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 3.24Å; G290-T293 PolarHBondContact O-OG1 3.36Å; G290-R294 PolarHBondContact O-N 3.34Å; G290-R294 VanDerWaalsContact O-N 3.17Å; G290-A295 PolarHBondContact O-N 3.34Å
291G96.7Very high92.4Very high0 Ų037 Ų370%021%0.208CC..Hα-helixtrans-66.9-43.1175.200000112.9S206 V287 I288 R289 R294S206-G291 PolarHBondContact OG-O 3.17Å; V287-G291 PolarHBondContact O-N 2.86Å; I288-G291 PolarHBondContact O-N 2.88Å; R289-G291 PolarHBondContact O-N 2.96Å; G291-R294 PolarHBondContact O-N 3.27Å
292A96.8Very high92.1Very high18 Ų1841.6 Ų41.615%0.14922%0.218CC..Hα-helixtrans-70.1-39.8-18000000112.5F69 L74 I288 R289 R294F69-A292 HydrophobicContact CD2-CB 3.8Å; F69-A292 HydrophobicContact CE2-CB 3.71Å; L74-A292 HydrophobicContact CD1-CB 4.28Å; L74-A292 HydrophobicContact CD2-CB 4.41Å; L74-A292 HydrophobicContact CG-CB 4.38Å; I288-A292 WeakPolarHBondContact O-CB 3.49Å; I288-A292 PolarHBondContact O-N 2.8Å; R289-A292 PolarHBondContact O-N 3.44Å; A292-R294 PolarHBondContact O-N 2.86Å
293T95.6Very high91.7Very high50 Ų5041.4 Ų41.431%0.30721%0.213SC..THydrogen-bonded Turntrans-79.33.2173.857.70000113.5D67 F69 R289 G290 A295D67-T293 HydrophobicContact CB-CG2 4.38Å; F69-T293 HydrophobicContact CB-CG2 4.02Å; R289-T293 WeakPolarHBondContact O-CB 3.34Å; R289-T293 WeakPolarHBondContact O-CG2 3.29Å; R289-T293 PolarHBondContact O-N 3.24Å; R289-T293 PolarHBondContact O-OG1 2.97Å; G290-T293 PolarHBondContact O-OG1 3.36Å; T293-A295 PolarHBondContact O-N 3.16Å; T293-A295 VanDerWaalsContact O-N 3.17Å
294R95.6Very high91.3Very high88 Ų8841.9 Ų41.933%0.33221%0.214SC..THydrogen-bonded Turntrans56.829.9178.8-55.1176.372.779.6-10.8113.1K204 G205 S206 N249 A251 G290 G291 A292K204-R294 PolarHBondContact O-NH1 3.2Å; K204-R294 PolarHBondContact O-NH2 3.04Å; G205-R294 PolarHBondContact O-NH1 2.85Å; S206-R294 PolarHBondContact OG-NH1 3.44Å; N249-R294 PolarHBondContact O-NH2 2.84Å; N249-R294 PolarHBondContact OD1-NH2 3.19Å; A251-R294 HydrophobicContact CB-CB 3.64Å; A251-R294 HydrophobicContact CB-CG 3.79Å; A251-R294 VanDerWaalsContact CB-CZ 3.44Å; G290-R294 PolarHBondContact O-N 3.34Å; G290-R294 VanDerWaalsContact O-N 3.17Å; G291-R294 PolarHBondContact O-N 3.27Å; A292-R294 PolarHBondContact O-N 2.86Å
295A93.4Very high90.8Very high32 Ų3246.3 Ų46.326%0.26423%0.231SC..  trans-65.3138.1-179.600000110.8T253 G290 T293 G297T253-A295 WeakPolarHBondContact CA-O 3.34Å; T253-A295 VanDerWaalsContact CB-O 3.22Å; T253-A295 WeakPolarHBondContact CB-O 3.24Å; T253-A295 VanDerWaalsContact CG2-O 3.23Å; T253-A295 WeakPolarHBondContact CG2-O 3.29Å; T253-A295 PolarHBondContact OG1-O 2.94Å; G290-A295 PolarHBondContact O-N 3.34Å; T293-A295 PolarHBondContact O-N 3.16Å; T293-A295 VanDerWaalsContact O-N 3.17Å; A295-G297 PolarHBondContact O-N 3.23Å
296A91.6Very high90.1Very high63 Ų6348.3 Ų48.352%0.52124%0.241SC..SBendtrans-65.5-27.517800000112.9R240 M254R240-A296 PolarHBondContact NH2-O 3.45Å; M254-A296 PolarHBondContact N-O 3.23Å; M254-A296 VanDerWaalsContact N-O 3.09Å
297G91.9Very high89.3Confident27 Ų2751.4 Ų51.428%0.27825%0.254SS..EExtended strand (participates in β ladder)trans-157.1142.6178.600000114.6M254 A295M254-G297 CarbonylContact O-C 3.54Å; M254-G297 WeakPolarHBondContact O-CA 3.39Å; A295-G297 PolarHBondContact O-N 3.23Å
298V92.4Very high88.4Confident17 Ų1752.2 Ų52.210%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-117.8133.2176.5177.30000108.6T253 M254 C255 V256 A286T253-V298 HydrophobicContact CG2-CG2 3.81Å; M254-V298 PolarHBondContact O-N 3.19Å; C255-V298 CarbonylContact C-O 3.52Å; C255-V298 HydrophobicContact CB-CB 4.29Å; V256-V298 PolarHBondContact N-O 3.41Å; A286-V298 HydrophobicContact CB-CG1 4.17Å
299F89.8Confident87.4Confident37 Ų3757.6 Ų57.616%0.16229%0.288CS..EExtended strand (participates in β ladder)trans-123117.3177-65.6-95.6000109.2V256 P301 W302 F304 R305 C308V256-F299 HydrophobicContact CB-CD1 3.66Å; V256-F299 HydrophobicContact CB-CE1 3.86Å; V256-F299 HydrophobicContact CB-CG 4.4Å; V256-F299 HydrophobicContact CG1-CD1 3.94Å; V256-F299 HydrophobicContact CG1-CE1 4.15Å; V256-F299 HydrophobicContact CG2-CD1 4.06Å; V256-F299 HydrophobicContact CG2-CE1 3.72Å; V256-F299 HydrophobicContact CG2-CZ 4.28Å; F299-P301 CarbonylContact O-C 3.33Å; F299-W302 WeakPolarHBondContact O-CA 3.38Å; F299-W302 PolarHBondContact O-N 3.2Å; F299-F304 HydrophobicContact CB-CB 4.36Å; F299-F304 HydrophobicContact CD1-CB 4.25Å; F299-R305 HydrophobicContact CB-CB 3.93Å; F299-R305 HydrophobicContact CD1-CB 4.09Å; F299-R305 HydrophobicContact CD2-CB 3.81Å; F299-R305 HydrophobicContact CD2-CG 3.87Å; F299-R305 HydrophobicContact CE2-CB 4.36Å; F299-R305 HydrophobicContact CE2-CG 4.02Å; F299-R305 HydrophobicContact CG-CB 3.67Å; F299-R305 HydrophobicContact CG-CG 4.22Å; F299-R305 HydrophobicContact CZ-CG 4.49Å; F299-C308 HydrophobicContact CE1-CB 4.11Å
300Y87.3Confident86.1Confident50 Ų5057.5 Ų57.520%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-130118.1179.1-167.8-94000111.7V256 L257 G258 A278 K282 A283 A286V256-Y300 PolarHBondContact O-N 3.4Å; L257-Y300 WeakPolarHBondContact CA-O 3.44Å; G258-Y300 PolarHBondContact N-O 3.25Å; A278-Y300 HydrophobicContact CB-CD1 4.39Å; A278-Y300 HydrophobicContact CB-CE1 3.92Å; K282-Y300 HydrophobicContact CB-CE2 4.39Å; K282-Y300 WeakPolarHBondContact CB-OH 3.49Å; A283-Y300 HydrophobicContact CB-CD1 3.51Å; A283-Y300 HydrophobicContact CB-CE1 3.69Å; A283-Y300 HydrophobicContact CB-CG 4.28Å; A286-Y300 HydrophobicContact CB-CD2 4.01Å; A286-Y300 HydrophobicContact CB-CG 4.47Å
301P85.6Confident84.7Confident27 Ų2761.4 Ų61.418%0.17531%0.306CS..SBendcis-68.6156.8-4.128.8-35.1000113F299 R303 F304F299-P301 CarbonylContact O-C 3.33Å; P301-R303 HydrophobicContact CB-CG 4.22Å; P301-R303 HydrophobicContact CG-CG 3.93Å; P301-R303 PolarHBondContact O-N 3.42Å; P301-F304 HydrophobicContact CG-CD1 4.17Å; P301-F304 HydrophobicContact CG-CE1 4.06Å; P301-F304 HydrophobicContact CG-CZ 4.34Å; P301-F304 WeakPolarHBondContact O-CB 3.41Å; P301-F304 PolarHBondContact O-N 3.12Å
302W79.3Confident83Confident153 Ų15371.9 Ų71.958%0.5835%0.345SS*.THydrogen-bonded Turntrans-52.3-33.3-173.871.8-96.4000114.3W65 F299 F304 R305W65-W302 AromaticContact CZ3-CD1 3.93Å; W65-W302 HydrophobicContact CZ3-CG 4.33Å; F299-W302 WeakPolarHBondContact O-CA 3.38Å; F299-W302 PolarHBondContact O-N 3.2Å; W302-F304 PolarHBondContact O-N 3.33Å; W302-R305 VanDerWaalsContact O-CB 3.24Å; W302-R305 WeakPolarHBondContact O-CB 3.31Å; W302-R305 PolarHBondContact O-N 3.24Å
303R79.5Confident81.4Confident138 Ų13881 Ų8152%0.52138%0.376SS..Hα-helixtrans-55.5-22177.564-178.7178.7-165.4-0.6113.9P301 R305 L306 L307P301-R303 HydrophobicContact CB-CG 4.22Å; P301-R303 HydrophobicContact CG-CG 3.93Å; P301-R303 PolarHBondContact O-N 3.42Å; R303-R305 PolarHBondContact O-N 3.27Å; R303-L306 WeakPolarHBondContact O-CB 3.28Å; R303-L306 PolarHBondContact O-N 3.45Å; R303-L307 PolarHBondContact O-N 3.07Å
304F81.4Confident79.9Confident14 Ų1483 Ų836%0.06139%0.385CS..Hα-helixtrans-65.9-28.2175.1-74.84.1000113.2L213 F299 P301 W302 L306 L307 C308L213-F304 HydrophobicContact CB-CD2 4.08Å; L213-F304 HydrophobicContact CB-CE2 3.81Å; L213-F304 HydrophobicContact CB-CZ 4.46Å; L213-F304 HydrophobicContact CD1-CB 4.35Å; L213-F304 HydrophobicContact CD1-CD2 4.14Å; L213-F304 HydrophobicContact CD1-CE2 4.45Å; L213-F304 HydrophobicContact CD1-CG 4.16Å; L213-F304 HydrophobicContact CD2-CD1 4.44Å; L213-F304 HydrophobicContact CD2-CD2 4.41Å; L213-F304 HydrophobicContact CD2-CE1 4.06Å; L213-F304 HydrophobicContact CD2-CE2 3.95Å; L213-F304 HydrophobicContact CD2-CZ 3.79Å; L213-F304 HydrophobicContact CG-CD2 4.44Å; L213-F304 HydrophobicContact CG-CE2 4.29Å; F299-F304 HydrophobicContact CB-CB 4.36Å; F299-F304 HydrophobicContact CD1-CB 4.25Å; P301-F304 HydrophobicContact CG-CD1 4.17Å; P301-F304 HydrophobicContact CG-CE1 4.06Å; P301-F304 HydrophobicContact CG-CZ 4.34Å; P301-F304 WeakPolarHBondContact O-CB 3.41Å; P301-F304 PolarHBondContact O-N 3.12Å; W302-F304 PolarHBondContact O-N 3.33Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-L306 PolarHBondContact O-N 3.19Å; F304-L307 HydrophobicContact CD1-CD1 3.89Å; F304-L307 HydrophobicContact CE1-CD1 4.38Å; F304-L307 PolarHBondContact O-N 3.1Å; F304-C308 WeakPolarHBondContact O-CB 3.46Å; F304-C308 PolarHBondContact O-N 3.49Å; F304-C308 PolarHBondContact O-SG 3.27Å
305R82.3Confident78.4Confident93 Ų9382.5 Ų82.535%0.35139%0.392SS..Hα-helixtrans-60.2-45.9173.1-171.4174.6179.6160.50.8110.7Y64 F299 W302 R303 C308 L309Y64-R305 PolarHBondContact OH-NH2 3.07Å; Y64-R305 VanDerWaalsContact OH-NH2 3.17Å; F299-R305 HydrophobicContact CB-CB 3.93Å; F299-R305 HydrophobicContact CD1-CB 4.09Å; F299-R305 HydrophobicContact CD2-CB 3.81Å; F299-R305 HydrophobicContact CD2-CG 3.87Å; F299-R305 HydrophobicContact CE2-CB 4.36Å; F299-R305 HydrophobicContact CE2-CG 4.02Å; F299-R305 HydrophobicContact CG-CB 3.67Å; F299-R305 HydrophobicContact CG-CG 4.22Å; F299-R305 HydrophobicContact CZ-CG 4.49Å; W302-R305 VanDerWaalsContact O-CB 3.24Å; W302-R305 WeakPolarHBondContact O-CB 3.31Å; W302-R305 PolarHBondContact O-N 3.24Å; R303-R305 PolarHBondContact O-N 3.27Å; R305-C308 PolarHBondContact O-N 2.94Å; R305-L309 HydrophobicContact CG-CD1 4.34Å; R305-L309 WeakPolarHBondContact O-CG 3.33Å; R305-L309 PolarHBondContact O-N 2.74Å
306L78Confident77Confident94 Ų9491.6 Ų91.649%0.49242%0.42SS..Hα-helixtrans-62.2-46177.6-176.163.2000111.3R303 F304 C308 L309 L310R303-L306 WeakPolarHBondContact O-CB 3.28Å; R303-L306 PolarHBondContact O-N 3.45Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-L306 PolarHBondContact O-N 3.19Å; L306-C308 VanDerWaalsContact C-N 3.29Å; L306-C308 PolarHBondContact O-N 3.44Å; L306-L309 PolarHBondContact O-N 3.25Å; L306-L310 HydrophobicContact CD1-CD1 4.12Å; L306-L310 HydrophobicContact CD1-CG 4.24Å; L306-L310 HydrophobicContact CG-CD1 3.88Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.49Å
307L75.3Confident75.8Confident89 Ų8991.3 Ų91.347%0.46641%0.413SS..Hα-helixtrans-57.2-41.4175-79.4156.2000112.5R303 F304 R311R303-L307 PolarHBondContact O-N 3.07Å; F304-L307 HydrophobicContact CD1-CD1 3.89Å; F304-L307 HydrophobicContact CE1-CD1 4.38Å; F304-L307 PolarHBondContact O-N 3.1Å; L307-R311 PolarHBondContact O-N 3.32Å
308C77.8Confident74.6Confident18 Ų1893.5 Ų93.512%0.12241%0.413CS..Hα-helixtrans-69.2-35.8178.1-67.10000112.6R216 F299 F304 R305 L306 R311R216-C308 VanDerWaalsContact CB-SG 3.53Å; F299-C308 HydrophobicContact CE1-CB 4.11Å; F304-C308 WeakPolarHBondContact O-CB 3.46Å; F304-C308 PolarHBondContact O-N 3.49Å; F304-C308 PolarHBondContact O-SG 3.27Å; R305-C308 PolarHBondContact O-N 2.94Å; L306-C308 VanDerWaalsContact C-N 3.29Å; L306-C308 PolarHBondContact O-N 3.44Å; C308-R311 WeakPolarHBondContact O-CB 3.4Å; C308-R311 PolarHBondContact O-N 3.41Å
309L74.8Confident73.3Confident113 Ų11395.6 Ų95.659%0.59243%0.432SS*.Hα-helixtrans-69.2-42.8176.7-71.1171.4000111.8R305 L306 R311R305-L309 HydrophobicContact CG-CD1 4.34Å; R305-L309 WeakPolarHBondContact O-CG 3.33Å; R305-L309 PolarHBondContact O-N 2.74Å; L306-L309 PolarHBondContact O-N 3.25Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-R311 VanDerWaalsContact O-N 3.16Å
310L67.4Low72.2Confident81 Ų81100.8 Ų100.842%0.42445%0.45SS..Hα-helixtrans-67.8-12.7178.6-65.6172.7000113L306 R312 W313 L314L306-L310 HydrophobicContact CD1-CD1 4.12Å; L306-L310 HydrophobicContact CD1-CG 4.24Å; L306-L310 HydrophobicContact CG-CD1 3.88Å; L306-L310 HydrophobicContact CG-CG 4.41Å; L306-L310 VanDerWaalsContact O-CG 3.3Å; L306-L310 WeakPolarHBondContact O-CG 3.45Å; L306-L310 PolarHBondContact O-N 3.49Å; L310-R312 VanDerWaalsContact C-N 3.25Å; L310-R312 PolarHBondContact O-N 3.5Å; L310-W313 PolarHBondContact O-N 2.89Å; L310-W313 VanDerWaalsContact O-N 3.11Å; L310-L314 PolarHBondContact O-N 3.29Å
311R65.4Low71.2Confident88 Ų88104.4 Ų104.433%0.33247%0.467SS..THydrogen-bonded Turntrans-51.4-40.2178.4-171.3-176.493.7174.12.3113.4R216 L307 C308 L309R216-R311 WeakPolarHBondContact O-CD 3.47Å; R216-R311 PolarHBondContact O-NH1 2.96Å; L307-R311 PolarHBondContact O-N 3.32Å; C308-R311 WeakPolarHBondContact O-CB 3.4Å; C308-R311 PolarHBondContact O-N 3.41Å; L309-R311 PolarHBondContact O-N 2.99Å; L309-R311 VanDerWaalsContact O-N 3.16Å
312R61.2Low70.4Confident219 Ų219104.5 Ų104.583%0.82647%0.466SS*.THydrogen-bonded Turntrans-78.4-20.7-175.7-94-179.4166.5170.9-3.8113.4L310L310-R312 VanDerWaalsContact C-N 3.25Å; L310-R312 PolarHBondContact O-N 3.5Å
313W63.1Low69.8Low211 Ų211105 Ų10580%0.79947%0.468SS*.THydrogen-bonded Turntrans-105.1-24.6-166.9-61.476.4000113.2L310L310-W313 PolarHBondContact O-N 2.89Å; L310-W313 VanDerWaalsContact O-N 3.11Å
314L65Low69.4Low91 Ų91102.5 Ų102.548%0.47646%0.462SS..  trans-138.971.2-173-65.4170.4000113.7L310 R316 P317 R318L310-L314 PolarHBondContact O-N 3.29Å; L314-R316 PolarHBondContact O-N 3.11Å; L314-P317 HydrophobicContact CB-CG 4.23Å; L314-P317 HydrophobicContact CD2-CG 4.31Å; L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.39Å; L314-R318 PolarHBondContact O-N 3.46Å
315P64.6Low68.7Low77 Ų77106.3 Ų106.350%0.548%0.48SS..Hα-helixtrans-67.3-36.8-176.124.7-32.7000114.4A319P315-A319 PolarHBondContact O-N 3.43Å
316R64.2Low67.6Low223 Ų223102.8 Ų102.884%0.84247%0.468SS*.Hα-helixtrans-75.8-50-177.5-70.7-178176.9170-0.9113.7L314 R318 A319 W320L314-R316 PolarHBondContact O-N 3.11Å; R316-R318 PolarHBondContact O-N 2.98Å; R316-A319 PolarHBondContact O-N 3.24Å; R316-W320 PolarHBondContact O-N 3.09Å
317P66.1Low66.8Low57 Ų57100.6 Ų100.637%0.3746%0.457SS..Hα-helixtrans-60.2-34.4176.7-24.235.3000112.5L314 W320 F321L314-P317 HydrophobicContact CB-CG 4.23Å; L314-P317 HydrophobicContact CD2-CG 4.31Å; P317-W320 WeakPolarHBondContact O-CB 3.13Å; P317-W320 PolarHBondContact O-N 3.36Å; P317-F321 HydrophobicContact CB-CE2 4.43Å; P317-F321 WeakPolarHBondContact O-CD2 3.33Å; P317-F321 PolarHBondContact O-N 3.45Å
318R65.3Low66Low74 Ų74100 Ų10028%0.27946%0.457SS..Hα-helixtrans-58.5-48.8176.3-179.5-167.370.7-169.82.5112.9L314 R316 W320 F321 I322L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.39Å; L314-R318 PolarHBondContact O-N 3.46Å; R316-R318 PolarHBondContact O-N 2.98Å; R318-W320 PolarHBondContact O-N 3.17Å; R318-F321 PolarHBondContact O-N 2.98Å; R318-I322 HydrophobicContact CG-CD1 3.81Å; R318-I322 HydrophobicContact CG-CG1 4.4Å; R318-I322 WeakPolarHBondContact O-CG1 3.39Å; R318-I322 PolarHBondContact O-N 3.43Å
319A65.3Low64.9Low60 Ų60104.8 Ų104.850%0.49649%0.486SS..Hα-helixtrans-60.5-35.8-179.900000111.2P315 R316 R323P315-A319 PolarHBondContact O-N 3.43Å; R316-A319 PolarHBondContact O-N 3.24Å; A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 3.05Å; A319-R323 VanDerWaalsContact O-N 3.1Å
320W68Low63.7Low146 Ų146101.3 Ų101.355%0.55347%0.473SS*.Hα-helixtrans-65.1-48.4173.2-175.591.6000112.2R316 P317 R318 I322 R323 Q324R316-W320 PolarHBondContact O-N 3.09Å; P317-W320 WeakPolarHBondContact O-CB 3.13Å; P317-W320 PolarHBondContact O-N 3.36Å; R318-W320 PolarHBondContact O-N 3.17Å; W320-I322 PolarHBondContact O-N 3.19Å; W320-R323 WeakPolarHBondContact O-CB 3.44Å; W320-R323 PolarHBondContact O-N 3.35Å; W320-Q324 HydrophobicContact CD2-CG 4.26Å; W320-Q324 HydrophobicContact CE3-CG 4.19Å; W320-Q324 HydrophobicContact CH2-CG 4.06Å; W320-Q324 HydrophobicContact CZ2-CG 4.12Å; W320-Q324 HydrophobicContact CZ3-CG 4.09Å; W320-Q324 WeakPolarHBondContact O-CG 3.3Å; W320-Q324 PolarHBondContact O-N 2.8Å; W320-Q324 VanDerWaalsContact O-N 3.12Å
321F65.7Low62.7Low127 Ų12798.6 Ų98.656%0.55746%0.463SS*.Hα-helixtrans-61.3-45.3177.6-78.5-68.7000113P317 R318 R323 Q324 E325P317-F321 HydrophobicContact CB-CE2 4.43Å; P317-F321 WeakPolarHBondContact O-CD2 3.33Å; P317-F321 PolarHBondContact O-N 3.45Å; R318-F321 PolarHBondContact O-N 2.98Å; F321-R323 PolarHBondContact O-N 3.48Å; F321-Q324 WeakPolarHBondContact O-CB 3.37Å; F321-Q324 PolarHBondContact O-N 3.48Å; F321-Q324 VanDerWaalsContact O-N 3.07Å; F321-E325 PolarHBondContact O-N 2.9Å
322I67.8Low61.5Low28 Ų2898.9 Ų98.914%0.14448%0.484CS..Hα-helixtrans-60.3-38.1176.9-65.4170.6000110.4V217 R318 W320 Q324 E325 L326V217-I322 HydrophobicContact CG1-CD1 3.61Å; R318-I322 HydrophobicContact CG-CD1 3.81Å; R318-I322 HydrophobicContact CG-CG1 4.4Å; R318-I322 WeakPolarHBondContact O-CG1 3.39Å; R318-I322 PolarHBondContact O-N 3.43Å; W320-I322 PolarHBondContact O-N 3.19Å; I322-Q324 VanDerWaalsContact C-N 3.32Å; I322-Q324 PolarHBondContact O-N 2.98Å; I322-E325 PolarHBondContact O-N 2.92Å; I322-L326 HydrophobicContact CG2-CD1 4.28Å; I322-L326 WeakPolarHBondContact O-CG 3.4Å; I322-L326 PolarHBondContact O-N 2.91Å
323R67.2Low60.3Low163 Ų16395.5 Ų95.562%0.61550%0.503SS*.Hα-helixtrans-63.3-36.8175.7-173.1179.4-178.9-174.80.6112.4A319 W320 F321 E325 L326 V328A319-R323 WeakPolarHBondContact O-CB 3.4Å; A319-R323 PolarHBondContact O-N 3.05Å; A319-R323 VanDerWaalsContact O-N 3.1Å; W320-R323 WeakPolarHBondContact O-CB 3.44Å; W320-R323 PolarHBondContact O-N 3.35Å; F321-R323 PolarHBondContact O-N 3.48Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 PolarHBondContact O-N 3.13Å; R323-L326 PolarHBondContact O-N 3.09Å; R323-V328 HydrophobicContact CG-CG2 4.35Å
324Q71.3Confident60.2Low87 Ų8789.8 Ų89.841%0.40749%0.488SS..Hα-helixtrans-67.9-26.8177.6-64-61.5-20.600112.9R274 W320 F321 I322 L326R274-Q324 PolarHBondContact NH1-O 3.43Å; W320-Q324 HydrophobicContact CD2-CG 4.26Å; W320-Q324 HydrophobicContact CE3-CG 4.19Å; W320-Q324 HydrophobicContact CH2-CG 4.06Å; W320-Q324 HydrophobicContact CZ2-CG 4.12Å; W320-Q324 HydrophobicContact CZ3-CG 4.09Å; W320-Q324 WeakPolarHBondContact O-CG 3.3Å; W320-Q324 PolarHBondContact O-N 2.8Å; W320-Q324 VanDerWaalsContact O-N 3.12Å; F321-Q324 WeakPolarHBondContact O-CB 3.37Å; F321-Q324 PolarHBondContact O-N 3.48Å; F321-Q324 VanDerWaalsContact O-N 3.07Å; I322-Q324 VanDerWaalsContact C-N 3.32Å; I322-Q324 PolarHBondContact O-N 2.98Å; Q324-L326 VanDerWaalsContact C-N 3.31Å
325E66.1Low59.9Low93 Ų9389.7 Ų89.744%0.43549%0.488SS..Hα-helixtrans-78.3-15.8175.3-66.4-170.4165.400113.1T273 R274 V275 F321 I322 R323T273-E325 CarbonylContact C-O 3.58Å; T273-E325 WeakPolarHBondContact CA-O 3.42Å; R274-E325 PolarHBondContact N-O 2.93Å; V275-E325 HydrophobicContact CG2-CB 4.1Å; V275-E325 HydrophobicContact CG2-CG 4.14Å; V275-E325 WeakPolarHBondContact CG2-OE2 3.4Å; F321-E325 PolarHBondContact O-N 2.9Å; I322-E325 PolarHBondContact O-N 2.92Å; R323-E325 VanDerWaalsContact C-N 3.26Å; R323-E325 PolarHBondContact O-N 3.13Å
326L60.6Low59.7Low19 Ų1990.4 Ų90.410%0.09949%0.488CS..BIsolated β-bridgetrans-96.9141.3179.9-66168.9000111.3F221 V272 I322 R323 Q324 V328F221-L326 HydrophobicContact CD2-CD2 4.27Å; F221-L326 HydrophobicContact CE2-CD1 4.21Å; F221-L326 HydrophobicContact CE2-CD2 4.44Å; V272-L326 HydrophobicContact CG1-CD2 4.26Å; V272-L326 CarbonylContact O-C 3.53Å; V272-L326 WeakPolarHBondContact O-CA 3.06Å; I322-L326 HydrophobicContact CG2-CD1 4.28Å; I322-L326 WeakPolarHBondContact O-CG 3.4Å; I322-L326 PolarHBondContact O-N 2.91Å; R323-L326 PolarHBondContact O-N 3.09Å; Q324-L326 VanDerWaalsContact C-N 3.31Å; L326-V328 PolarHBondContact O-N 3.27Å
327N60.4Low59.4Low48 Ų4882.6 Ų82.626%0.25747%0.467SS..  trans-9491.5170.9-165.624.5000109.1G271 V272 T329 A330G271-N327 WeakPolarHBondContact O-CB 3.07Å; G271-N327 PolarHBondContact O-ND2 3.01Å; V272-N327 PolarHBondContact O-N 3.03Å; N327-T329 PolarHBondContact O-N 3.38Å; N327-T329 PolarHBondContact OD1-OG1 3.38Å; N327-A330 PolarHBondContact O-N 2.91Å
328V58.5Low59Low77 Ų7784.2 Ų84.247%0.46747%0.473SS..THydrogen-bonded Turntrans-64.4-24.9-169.1-171.90000112.6R323 L326R323-V328 HydrophobicContact CG-CG2 4.35Å; L326-V328 PolarHBondContact O-N 3.27Å
329T54.5Low58.6Low119 Ų11984.9 Ų84.973%0.7349%0.486SS*.THydrogen-bonded Turntrans-74.1-28179.3460000113.9N327N327-T329 PolarHBondContact O-N 3.38Å; N327-T329 PolarHBondContact OD1-OG1 3.38Å
330A49.9Very low58.1Low39 Ų3986.6 Ų86.632%0.32249%0.485SS..THydrogen-bonded Turntrans-89.5-20.5-178.300000113.5G271 N327G271-A330 WeakPolarHBondContact O-CB 3.08Å; N327-A330 PolarHBondContact O-N 2.91Å
331A47.5Very low57.3Low25 Ų2582.1 Ų82.121%0.20748%0.48CS..THydrogen-bonded Turntrans-88.9-2.6-175.600000114.3F221 V272F221-A331 HydrophobicContact CD1-CB 4.24Å; F221-A331 HydrophobicContact CD2-CB 4.08Å; F221-A331 HydrophobicContact CE1-CB 3.73Å; F221-A331 HydrophobicContact CE2-CB 3.55Å; F221-A331 HydrophobicContact CG-CB 4.4Å; F221-A331 HydrophobicContact CZ-CB 3.36Å; V272-A331 HydrophobicContact CG1-CB 4.5Å
332A40.2Very low56.6Low94 Ų9478.3 Ų78.378%0.77747%0.473SS*.THydrogen-bonded Turntrans-97-4.4178.500000113.7
333A35.8Very low55.6Low148 Ų14882.9 Ų82.9100%1.22350%0.503SS*.  trans-94.40170.100000110.2

Retrieved 333 of 333 residues in 216.5 ms (Link to these results)