A0A087XMS6_POEFO Loading...

Popeye domain cAMP effector 1

AlphaFold DB , UniProt , Accession A0A087XMS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M34.7Very low36.4Very low237 Ų237145.7 Ų145.7100%1.16784%0.835SS**  0111.30-149.8141.4117.800106.5
2S33.3Very low36Very low111 Ų111147.3 Ų147.378%0.77683%0.833SS**  trans46.2124.4158.144.50000121.4
3T36.9Very low35.5Very low132 Ų132147.5 Ų147.581%0.8183%0.829SS**  trans-49.6167166.751.10000114.5
4P43.3Very low36Very low124 Ų124144.3 Ų144.381%0.80582%0.817SS**  -143.7169.781.430.3-7.9000116.3
5D38.2Very low35.8Very low148 Ų148143.3 Ų143.379%0.79182%0.816SS**  trans-52.6171.8179.1-60.9-57.5000115.9
6P41Very low35.6Very low131 Ų131145.4 Ų145.485%0.85182%0.823SS**  -144145107.234.3-18000116
7T37.2Very low35.5Very low124 Ų124144.6 Ų144.676%0.76182%0.822SS**  trans-72.1149.2159.531.70000112.4
8S35.3Very low35.3Very low100 Ų100143.2 Ų143.270%0.69982%0.822SS**  trans59105.6147.857.20000119.8
9F33.8Very low35.4Very low213 Ų213141.1 Ų141.193%0.93482%0.817SS**  trans-143.2108.1141.1-91-79.4000110.8
10L34.8Very low35.2Very low168 Ų168140.6 Ų140.688%0.8882%0.816SS**  trans-81.5128.5161.1-108158.6000107.9
11T31.5Very low35.3Very low115 Ų115139.2 Ų139.271%0.70681%0.812SS**  trans-177.6123.4142.59.30000112.2
12M31.5Very low35.7Very low165 Ų165137.2 Ų137.281%0.81380%0.8SS**  trans58.2128.8135.3-57.9-64.9-164.800118.8
13L29.8Very low35.8Very low149 Ų149138 Ų13878%0.7880%0.8SS**  cis174.8-179.446.2-142.488.2000105.4
14P42.1Very low35.9Very low103 Ų103136.9 Ų136.967%0.66980%0.795SS**  cis-124.3166.2-24.821.61.3000114.3
15T34.1Very low35.6Very low130 Ų130135.4 Ų135.480%0.79879%0.793SS**  trans-50.7133.2158.712.70000114
16L32.2Very low35.7Very low176 Ų176134.1 Ų134.192%0.92179%0.791SS**  trans-124.2101.2156.6-103.3152.3000108.3
17T34.2Very low35.9Very low132 Ų132136.3 Ų136.381%0.8179%0.789SS**  trans-76.6123166.235.80000109.4
18S32.3Very low36.2Very low119 Ų119135.9 Ų135.983%0.83279%0.786SS**  trans-128.5125.7155.480.70000109.6
19S36.9Very low36.6Very low103 Ų103138.2 Ų138.272%0.7279%0.791SS**  trans-79.8142.7-171.943.10000114.5
20T31Very low37.3Very low131 Ų131132.3 Ų132.380%0.80478%0.782SS**  trans72.6153.6145.742.50000119.9
21P37.9Very low38.1Very low113 Ų113130.4 Ų130.473%0.73478%0.777SS**  cis-125.3163.4-5.130.7-10000115.4V23P21-V23 PolarHBondContact O-N 3.37Å
22E41.8Very low38.9Very low194 Ų194128.4 Ų128.491%0.90777%0.768SS**  trans-33.6115.2166.5-152.2167.8-166.200114.6
23V36.5Very low40.1Very low127 Ų127124.5 Ų124.577%0.7776%0.755SS**  trans-108.4123.7162.1179.10000106.1P21 A25P21-V23 PolarHBondContact O-N 3.37Å; V23-A25 PolarHBondContact O-N 2.96Å
24P39.2Very low41Very low110 Ų110125.4 Ų125.471%0.71476%0.756SS**  trans-60.5129.4179.424-30.6000108.7V26P24-V26 PolarHBondContact O-N 2.97Å
25A37.2Very low41.3Very low92 Ų92128 Ų12876%0.7676%0.759SS**  trans-51.6108.2171.200000108.2V23 E27V23-A25 PolarHBondContact O-N 2.96Å; A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.71Å
26V39.2Very low42.4Very low122 Ų122132.9 Ų132.974%0.73976%0.763SS**  trans-65.2103.5161.5176.70000104.3P24 V28P24-V26 PolarHBondContact O-N 2.97Å; V26-V28 HydrophobicContact CG1-CG2 4.04Å; V26-V28 PolarHBondContact O-N 3.22Å
27E44.6Very low43.5Very low177 Ų177131.4 Ų131.483%0.82775%0.751SS**  trans-59.282.6160.1-74.7-171154.600107.3A25 N29A25-E27 VanDerWaalsContact C-N 3.3Å; A25-E27 PolarHBondContact O-N 2.71Å; E27-N29 PolarHBondContact O-N 2.84Å; E27-N29 VanDerWaalsContact O-N 3.11Å
28V43.8Very low44.5Very low115 Ų115132.7 Ų132.770%0.69775%0.748SS**  trans-61.7112.7155.8179.60000103.3V26 A30V26-V28 HydrophobicContact CG1-CG2 4.04Å; V26-V28 PolarHBondContact O-N 3.22Å; V28-A30 PolarHBondContact O-N 3.42Å
29N43.4Very low45.8Very low149 Ų149130.5 Ų130.580%0.79773%0.73SS**  trans-43.789.9167.1-85.9-24.8000108.7E27 T31E27-N29 PolarHBondContact O-N 2.84Å; E27-N29 VanDerWaalsContact O-N 3.11Å; N29-T31 PolarHBondContact O-N 2.86Å
30A48.5Very low47.1Very low89 Ų89130.1 Ų130.174%0.73672%0.719SS**  trans-73.488.6171.800000103.8V28 S32V28-A30 PolarHBondContact O-N 3.42Å; A30-S32 PolarHBondContact O-N 3.3Å
31T51.9Low49.2Very low127 Ų127126.6 Ų126.678%0.77969%0.694SS**  trans-5698.9157.845.10000105.5N29 C33N29-T31 PolarHBondContact O-N 2.86Å; T31-C33 PolarHBondContact O-N 3.11Å
32S49.1Very low51.4Low74 Ų74128.3 Ų128.352%0.51769%0.694SS.*  trans-4797.1-173.8168.10000111.4A30 Q34A30-S32 PolarHBondContact O-N 3.3Å; S32-Q34 PolarHBondContact O-N 3.39Å; S32-Q34 WeakPolarHBondContact OG-CB 3.39Å; S32-Q34 WeakPolarHBondContact OG-CG 3.32Å
33C56.9Low53.3Low82 Ų82120.9 Ų120.955%0.55466%0.66SS**  trans-71.168.9155.7-75.10000107T31 C88T31-C33 PolarHBondContact O-N 3.11Å; C33-C88 HydrophobicContact CB-CB 3.83Å; C33-C88 WeakPolarHBondContact CB-SG 3.36Å; C33-C88 WeakPolarHBondContact SG-CB 3.18Å; C33-C88 CovalentContact SG-SG 2.07Å; C33-C88 PolarHBondContact SG-SG 2.91Å
34Q49.1Very low55.7Low168 Ų168117.5 Ų117.579%0.78564%0.635SS**  trans-80124.4177.9-107.1179.85.100110.1S32S32-Q34 PolarHBondContact O-N 3.39Å; S32-Q34 WeakPolarHBondContact OG-CB 3.39Å; S32-Q34 WeakPolarHBondContact OG-CG 3.32Å
35Q47.3Very low58Low159 Ų159116.7 Ų116.774%0.74362%0.622SS**SBendtrans44.888146.1-149.572.2-1200118E37Q35-E37 PolarHBondContact O-N 3.35Å
36W57.9Low60.5Low232 Ų232116.5 Ų116.588%0.87961%0.608SS**  trans29.279.5141.4-61.781.3000116.9
37E54.7Low63Low145 Ų145110.7 Ų110.768%0.67857%0.572SS**  trans-96.2154.4163.1-144.2173-166.200111Q35 V39Q35-E37 PolarHBondContact O-N 3.35Å; E37-V39 PolarHBondContact O-N 3.46Å
38Q55.3Low65.1Low159 Ų159105.4 Ų105.474%0.74355%0.549SS*.  trans-36.4124.7-170.6-111.589-20.900113.8N40 H41Q38-N40 PolarHBondContact O-N 3.24Å; Q38-H41 PolarHBondContact O-N 3.1Å
39V58.6Low67.5Low73 Ų73104.1 Ų104.144%0.44254%0.538SS..SBendtrans-44.4-24.3173.3175.30000113.4E37 W82E37-V39 PolarHBondContact O-N 3.46Å; V39-W82 WeakPolarHBondContact O-CZ2 3.42Å
40N64.2Low69.8Low94 Ų9497.6 Ų97.650%0.50350%0.504SS..  trans-110.255.5-171.8-62.6-30000112.8Q38Q38-N40 PolarHBondContact O-N 3.24Å
41H77.1Confident71.8Confident57 Ų5795.9 Ų95.926%0.26448%0.483SS..  trans-66.6150.9173.8-166.8-96.3000111.1Q38 L43 F44 H45 Y86Q38-H41 PolarHBondContact O-N 3.1Å; H41-L43 PolarHBondContact ND1-N 2.8Å; H41-L43 PolarHBondContact O-N 3.33Å; H41-F44 VanDerWaalsContact O-CB 3.29Å; H41-F44 WeakPolarHBondContact O-CB 3.26Å; H41-F44 PolarHBondContact O-N 2.84Å; H41-H45 PolarHBondContact O-N 3.04Å; H41-Y86 AromaticContact CD2-CE1 3.59Å; H41-Y86 AromaticContact CD2-CZ 3.9Å; H41-Y86 AromaticContact CE1-CE1 3.89Å; H41-Y86 AromaticContact CE1-CE2 3.88Å; H41-Y86 AromaticContact CE1-CZ 3.39Å; H41-Y86 PolarHBondContact CE1-OH 3.02Å; H41-Y86 VanDerWaalsContact CE1-OH 3.22Å; H41-Y86 AromaticContact ND1-CE2 3.91Å; H41-Y86 AromaticContact ND1-CZ 3.82Å; H41-Y86 AromaticContact NE2-CE1 3.5Å; H41-Y86 WeakPolarHBondContact NE2-CE1 3.43Å; H41-Y86 AromaticContact NE2-CZ 3.46Å; H41-Y86 PolarHBondContact NE2-OH 3.19Å
42M82.2Confident73.8Confident149 Ų14994.3 Ų94.373%0.73447%0.469SS*.Hα-helixtrans-55.3-31.7-177.8-71.6-67161.600113.5F44 H45 L46M42-F44 VanDerWaalsContact C-N 3.31Å; M42-F44 PolarHBondContact O-N 3.06Å; M42-H45 PolarHBondContact O-N 3.31Å; M42-L46 WeakPolarHBondContact O-CB 3.46Å; M42-L46 PolarHBondContact O-N 3.31Å
43L83.3Confident75.8Confident38 Ų3895 Ų9520%0.19947%0.466CS..Hα-helixtrans-62.4-35.8175.2-68.8171.2000113H41 G47 L78 W82 Y86H41-L43 PolarHBondContact ND1-N 2.8Å; H41-L43 PolarHBondContact O-N 3.33Å; L43-G47 PolarHBondContact O-N 2.96Å; L43-L78 HydrophobicContact CD2-CD2 3.86Å; L43-W82 HydrophobicContact CB-CB 4.17Å; L43-Y86 HydrophobicContact CD1-CD2 4.37Å; L43-Y86 HydrophobicContact CD1-CE2 3.58Å
44F85.6Confident77.3Confident56 Ų5691.1 Ų91.125%0.24644%0.44CS..Hα-helixtrans-67.1-44.7176.8-179.9-96.4000110.6H41 M42 G47 N48 F79 W82H41-F44 VanDerWaalsContact O-CB 3.29Å; H41-F44 WeakPolarHBondContact O-CB 3.26Å; H41-F44 PolarHBondContact O-N 2.84Å; M42-F44 VanDerWaalsContact C-N 3.31Å; M42-F44 PolarHBondContact O-N 3.06Å; F44-G47 PolarHBondContact O-N 2.8Å; F44-N48 WeakPolarHBondContact CD1-ND2 3.19Å; F44-N48 WeakPolarHBondContact CE1-ND2 3.41Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.19Å; F44-N48 PolarHBondContact O-N 3.24Å; F44-N48 PolarHBondContact O-ND2 2.76Å; F44-F79 HydrophobicContact CD2-CD1 4.19Å; F44-F79 AromaticContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CE2-CD1 4.49Å; F44-F79 AromaticContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CG-CE1 4.42Å; F44-W82 HydrophobicContact CB-CD2 4.48Å; F44-W82 HydrophobicContact CB-CG 4.41Å; F44-W82 HydrophobicContact CD2-CD2 4.3Å; F44-W82 HydrophobicContact CD2-CE3 4.39Å; F44-W82 HydrophobicContact CD2-CH2 4.16Å; F44-W82 HydrophobicContact CD2-CZ2 4.09Å; F44-W82 HydrophobicContact CD2-CZ3 4.34Å; F44-W82 HydrophobicContact CE2-CH2 4.46Å
45H88.4Confident79.1Confident93 Ų9389.6 Ų89.643%0.43144%0.436SS..Hα-helixtrans-66.2-40.2175.9-68.6-63.2000112.4H41 M42 N48 L49H41-H45 PolarHBondContact O-N 3.04Å; M42-H45 PolarHBondContact O-N 3.31Å; H45-N48 PolarHBondContact O-N 3.44Å; H45-L49 VanDerWaalsContact O-CB 3.31Å; H45-L49 WeakPolarHBondContact O-CB 3.24Å; H45-L49 PolarHBondContact O-N 3.36Å
46L90.4Very high81.2Confident89 Ų8987.5 Ų87.547%0.46643%0.43SS..Hα-helixtrans-66.8-38.5177.3-16963.6000111.9M42 L49 S50 L78M42-L46 WeakPolarHBondContact O-CB 3.46Å; M42-L46 PolarHBondContact O-N 3.31Å; L46-L49 HydrophobicContact CD1-CD2 4.5Å; L46-L49 PolarHBondContact O-N 3.49Å; L46-S50 WeakPolarHBondContact O-CB 3.14Å; L46-S50 PolarHBondContact O-N 2.87Å; L46-S50 PolarHBondContact O-OG 2.81Å; L46-L78 HydrophobicContact CB-CD1 4.17Å; L46-L78 HydrophobicContact CD2-CD1 4.02Å; L46-L78 HydrophobicContact CD2-CD2 4.2Å; L46-L78 HydrophobicContact CG-CD1 3.75Å
47G89.8Confident82.7Confident0 Ų077.3 Ų77.30%039%0.392CS..Hα-helixtrans-59.3-52.217200000111.5L43 F44 L49 S50 L51L43-G47 PolarHBondContact O-N 2.96Å; F44-G47 PolarHBondContact O-N 2.8Å; G47-L49 PolarHBondContact O-N 2.69Å; G47-S50 PolarHBondContact O-N 3.23Å; G47-S50 PolarHBondContact O-OG 3.09Å; G47-L51 WeakPolarHBondContact O-CG 3.2Å; G47-L51 PolarHBondContact O-N 2.95Å
48N90.6Very high84.1Confident65 Ų6573.7 Ų73.735%0.34838%0.381SS..Hα-helixtrans-60.9-41.2176.6-75.8-60.4000113F44 H45 S50 L51 L52F44-N48 WeakPolarHBondContact CD1-ND2 3.19Å; F44-N48 WeakPolarHBondContact CE1-ND2 3.41Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.19Å; F44-N48 PolarHBondContact O-N 3.24Å; F44-N48 PolarHBondContact O-ND2 2.76Å; H45-N48 PolarHBondContact O-N 3.44Å; N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 3.44Å; N48-L51 PolarHBondContact O-N 2.79Å; N48-L52 WeakPolarHBondContact O-CB 3.35Å; N48-L52 PolarHBondContact O-N 2.97Å
49L93.1Very high85.3Confident88 Ų8871.8 Ų71.846%0.46138%0.381SS..Hα-helixtrans-61.8-42.7176.1179.663.2000111.1H45 L46 G47 L51 L52 L53H45-L49 VanDerWaalsContact O-CB 3.31Å; H45-L49 WeakPolarHBondContact O-CB 3.24Å; H45-L49 PolarHBondContact O-N 3.36Å; L46-L49 HydrophobicContact CD1-CD2 4.5Å; L46-L49 PolarHBondContact O-N 3.49Å; G47-L49 PolarHBondContact O-N 2.69Å; L49-L51 PolarHBondContact O-N 2.93Å; L49-L52 PolarHBondContact O-N 3.26Å; L49-L53 HydrophobicContact CD1-CD1 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.2Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 2.99Å; L49-L53 PolarHBondContact O-N 2.96Å
50S91.5Very high86.1Confident12 Ų1274.3 Ų74.38%0.08440%0.397CS..Hα-helixtrans-65.1-38.4177.772.40000112.5L46 G47 N48 G54 G75L46-S50 WeakPolarHBondContact O-CB 3.14Å; L46-S50 PolarHBondContact O-N 2.87Å; L46-S50 PolarHBondContact O-OG 2.81Å; G47-S50 PolarHBondContact O-N 3.23Å; G47-S50 PolarHBondContact O-OG 3.09Å; N48-S50 VanDerWaalsContact C-N 3.33Å; N48-S50 PolarHBondContact O-N 3.44Å; S50-G54 PolarHBondContact O-N 2.88Å; S50-G75 WeakPolarHBondContact OG-CA 3.42Å; S50-G75 PolarHBondContact OG-N 3.41Å
51L90.8Very high86.9Confident54 Ų5474 Ų7428%0.28340%0.395SS..Hα-helixtrans-65.7-44.6173.9-67-174.6000111.5G47 N48 L49 G54 L55 L72 F79G47-L51 WeakPolarHBondContact O-CG 3.2Å; G47-L51 PolarHBondContact O-N 2.95Å; N48-L51 PolarHBondContact O-N 2.79Å; L49-L51 PolarHBondContact O-N 2.93Å; L51-G54 PolarHBondContact O-N 2.93Å; L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.88Å; L51-L55 VanDerWaalsContact O-N 3.11Å; L51-L72 HydrophobicContact CD2-CG 4.23Å; L51-F79 HydrophobicContact CD1-CD2 4.41Å; L51-F79 HydrophobicContact CD1-CE2 3.6Å; L51-F79 HydrophobicContact CD1-CZ 4.43Å; L51-F79 HydrophobicContact CG-CE2 4.25Å
52L93.1Very high86.8Confident94 Ų9473.9 Ų73.949%0.49241%0.409SS..Hα-helixtrans-60.6-48176.7179.565.7000111.2N48 L49 G54 L55 L56N48-L52 WeakPolarHBondContact O-CB 3.35Å; N48-L52 PolarHBondContact O-N 2.97Å; L49-L52 PolarHBondContact O-N 3.26Å; L52-G54 PolarHBondContact O-N 2.82Å; L52-L55 PolarHBondContact O-N 2.9Å; L52-L55 VanDerWaalsContact O-N 3.09Å; L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CG 4.33Å; L52-L56 HydrophobicContact CD2-CD1 4.41Å; L52-L56 HydrophobicContact CG-CD1 3.83Å; L52-L56 HydrophobicContact CG-CG 4.4Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 3.39Å
53L91.7Very high86.8Confident88 Ų8872.2 Ų72.246%0.46140%0.402SS..Hα-helixtrans-60.2-35.7176.3-76.5174.8000111.5L49 L56 I57 L71L49-L53 HydrophobicContact CD1-CD1 4.3Å; L49-L53 HydrophobicContact CD1-CG 4.2Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.38Å; L49-L53 WeakPolarHBondContact O-CB 3.48Å; L49-L53 VanDerWaalsContact O-CG 3.29Å; L49-L53 WeakPolarHBondContact O-CG 2.99Å; L49-L53 PolarHBondContact O-N 2.96Å; L53-L56 PolarHBondContact O-N 2.83Å; L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.07Å; L53-L71 HydrophobicContact CB-CD2 3.44Å; L53-L71 VanDerWaalsContact CB-CD2 3.44Å
54G88.9Confident87Confident0 Ų071.6 Ų71.60%040%0.398CS..Hα-helixtrans-60.8-42.3173.700000112.6S50 L51 L52 I57 L68 L71S50-G54 PolarHBondContact O-N 2.88Å; L51-G54 PolarHBondContact O-N 2.93Å; L52-G54 PolarHBondContact O-N 2.82Å; G54-I57 WeakPolarHBondContact O-CD1 3.29Å; G54-I57 WeakPolarHBondContact O-CG1 3.48Å; G54-L68 WeakPolarHBondContact O-CD1 3.44Å; G54-L71 VanDerWaalsContact N-CD2 3.33Å
55L87.4Confident87Confident136 Ų13672.6 Ų72.671%0.71241%0.405SS*.Hα-helixtrans-76.7-24.9-179.9-64.6174.7000113.6L51 L52 I57L51-L55 WeakPolarHBondContact O-CG 3.29Å; L51-L55 PolarHBondContact O-N 2.88Å; L51-L55 VanDerWaalsContact O-N 3.11Å; L52-L55 PolarHBondContact O-N 2.9Å; L52-L55 VanDerWaalsContact O-N 3.09Å; L55-I57 VanDerWaalsContact C-N 3.32Å
56L90.8Very high87.1Confident115 Ų11569.3 Ų69.360%0.60239%0.39SS*.THydrogen-bonded Turntrans-82.1-7.2179.1-73172.5000113.8L52 L53 P58L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CG 4.33Å; L52-L56 HydrophobicContact CD2-CD1 4.41Å; L52-L56 HydrophobicContact CG-CD1 3.83Å; L52-L56 HydrophobicContact CG-CG 4.4Å; L52-L56 WeakPolarHBondContact O-CG 3.38Å; L52-L56 PolarHBondContact O-N 3.39Å; L53-L56 PolarHBondContact O-N 2.83Å; L56-P58 WeakPolarHBondContact O-CD 3.42Å
57I88.5Confident87.1Confident18 Ų1868.6 Ų68.69%0.09239%0.386CS..SBendtrans-62.4126.4-178.6-52.1169.8000108.3L53 G54 L55 T59 L61 H64 L67 L68 L71L53-I57 WeakPolarHBondContact O-CG1 3.23Å; L53-I57 PolarHBondContact O-N 3.07Å; G54-I57 WeakPolarHBondContact O-CD1 3.29Å; G54-I57 WeakPolarHBondContact O-CG1 3.48Å; L55-I57 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 3.27Å; I57-L61 HydrophobicContact CG2-CD1 3.93Å; I57-H64 HydrophobicContact CG2-CB 4.42Å; I57-H64 VanDerWaalsContact CG2-CD2 3.41Å; I57-H64 WeakPolarHBondContact CG2-CD2 3.48Å; I57-H64 PolarHBondContact O-CD2 2.98Å; I57-H64 PolarHBondContact O-NE2 2.87Å; I57-L67 HydrophobicContact CD1-CB 3.89Å; I57-L67 HydrophobicContact CD1-CD2 3.78Å; I57-L67 HydrophobicContact CD1-CG 3.55Å; I57-L67 HydrophobicContact CG1-CD2 4.27Å; I57-L67 HydrophobicContact CG2-CD2 4.01Å; I57-L68 HydrophobicContact CD1-CB 4.32Å; I57-L71 HydrophobicContact CD1-CD1 4.46Å
58P84.4Confident87.2Confident69 Ų6969.9 Ų69.945%0.44839%0.393SS..  trans-69.8134.6178.125.3-31.3000110.8L56 T60 L61 H64L56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-T60 PolarHBondContact O-N 3.37Å; P58-L61 HydrophobicContact CG-CD1 4.11Å; P58-L61 HydrophobicContact CG-CG 4.22Å; P58-L61 PolarHBondContact O-N 2.9Å; P58-H64 PolarHBondContact O-CD2 2.92Å; P58-H64 VanDerWaalsContact O-CD2 3.28Å
59T80.7Confident87.3Confident120 Ų12069.2 Ų69.274%0.73639%0.386SS*.THydrogen-bonded Turntrans-64.2-9.5179.753.20000113.7I57 L61I57-T59 PolarHBondContact O-N 3.27Å; T59-L61 VanDerWaalsContact C-N 3.26Å; T59-L61 PolarHBondContact O-N 3.44Å
60T76.7Confident87.3Confident125 Ų12568.8 Ų68.877%0.76738%0.383SS*.THydrogen-bonded Turntrans-72.2-16.1176.756.50000113.5P58P58-T60 PolarHBondContact O-N 3.37Å
61L79.1Confident87.4Confident88 Ų8869.9 Ų69.946%0.46139%0.388SS..SBendtrans-80.2126177.5-63.3176000110.9I57 P58 T59 L63 H64I57-L61 HydrophobicContact CG2-CD1 3.93Å; P58-L61 HydrophobicContact CG-CD1 4.11Å; P58-L61 HydrophobicContact CG-CG 4.22Å; P58-L61 PolarHBondContact O-N 2.9Å; T59-L61 VanDerWaalsContact C-N 3.26Å; T59-L61 PolarHBondContact O-N 3.44Å; L61-L63 PolarHBondContact O-N 3.33Å; L61-H64 HydrophobicContact CB-CB 4.28Å; L61-H64 WeakPolarHBondContact O-CB 3.43Å; L61-H64 PolarHBondContact O-N 2.81Å
62G75.3Confident87.5Confident55 Ų5569 Ų6957%0.56738%0.383SS*.THydrogen-bonded Turntrans-58.7-21.7178.400000114.4R114G62-R114 VanDerWaalsContact O-CZ 3.23Å; G62-R114 PolarHBondContact O-NH1 2.92Å; G62-R114 PolarHBondContact O-NH2 3.16Å
63L82.3Confident87.6Confident113 Ų11366 Ų6659%0.59237%0.367SS*.THydrogen-bonded Turntrans-101.26.3177-61.2176.4000113.7L61 M65 I66 L67L61-L63 PolarHBondContact O-N 3.33Å; L63-M65 VanDerWaalsContact C-N 3.31Å; L63-M65 PolarHBondContact O-N 2.8Å; L63-I66 HydrophobicContact CD2-CD1 4.09Å; L63-I66 PolarHBondContact O-N 3.18Å; L63-L67 PolarHBondContact O-N 3.22Å
64H87.4Confident87.7Confident25 Ų2565.2 Ų65.212%0.11637%0.366CS..Hα-helixtrans-46.8-50.9-176169.1-86.5000112.8I57 P58 L61 I66 L67 L68I57-H64 HydrophobicContact CG2-CB 4.42Å; I57-H64 VanDerWaalsContact CG2-CD2 3.41Å; I57-H64 WeakPolarHBondContact CG2-CD2 3.48Å; I57-H64 PolarHBondContact O-CD2 2.98Å; I57-H64 PolarHBondContact O-NE2 2.87Å; P58-H64 PolarHBondContact O-CD2 2.92Å; P58-H64 VanDerWaalsContact O-CD2 3.28Å; L61-H64 HydrophobicContact CB-CB 4.28Å; L61-H64 WeakPolarHBondContact O-CB 3.43Å; L61-H64 PolarHBondContact O-N 2.81Å; H64-I66 VanDerWaalsContact C-N 3.28Å; H64-I66 PolarHBondContact O-N 3.07Å; H64-L67 PolarHBondContact O-N 3.11Å; H64-L68 VanDerWaalsContact O-CB 3.29Å; H64-L68 WeakPolarHBondContact O-CB 3.41Å; H64-L68 PolarHBondContact O-N 3.01Å
65M86.8Confident87.9Confident78 Ų7865.2 Ų65.238%0.38437%0.366SS..Hα-helixtrans-64.4-30-177.5-63.3-60.5-74.600113.5L63 R69 L110L63-M65 VanDerWaalsContact C-N 3.31Å; L63-M65 PolarHBondContact O-N 2.8Å; M65-R69 VanDerWaalsContact O-CG 3.25Å; M65-R69 WeakPolarHBondContact O-CG 3.47Å; M65-R69 PolarHBondContact O-N 2.9Å; M65-L110 HydrophobicContact CB-CD1 4.07Å
66I90.1Very high88.1Confident24 Ų2459.2 Ų59.212%0.12334%0.335CS..Hα-helixtrans-77.6-46.7177.4-65.7171.8000109.3L63 H64 L68 R69 L70 L107 L111 R114L63-I66 HydrophobicContact CD2-CD1 4.09Å; L63-I66 PolarHBondContact O-N 3.18Å; H64-I66 VanDerWaalsContact C-N 3.28Å; H64-I66 PolarHBondContact O-N 3.07Å; I66-L68 VanDerWaalsContact C-N 3.35Å; I66-L68 PolarHBondContact O-N 3.2Å; I66-R69 PolarHBondContact O-N 3.12Å; I66-L70 HydrophobicContact CG2-CD1 4.05Å; I66-L70 HydrophobicContact CG2-CG 4.5Å; I66-L70 WeakPolarHBondContact O-CG 3.05Å; I66-L70 PolarHBondContact O-N 3.41Å; I66-L107 HydrophobicContact CG2-CD1 3.86Å; I66-L111 HydrophobicContact CD1-CD2 4.24Å; I66-R114 HydrophobicContact CD1-CG 4.41Å
67L89.9Confident88.2Confident73 Ų7356.3 Ų56.338%0.38233%0.325SS..Hα-helixtrans-62.1-43.1-179.6-172.163000111.2I57 L63 H64 R69 L70 L71I57-L67 HydrophobicContact CD1-CB 3.89Å; I57-L67 HydrophobicContact CD1-CD2 3.78Å; I57-L67 HydrophobicContact CD1-CG 3.55Å; I57-L67 HydrophobicContact CG1-CD2 4.27Å; I57-L67 HydrophobicContact CG2-CD2 4.01Å; L63-L67 PolarHBondContact O-N 3.22Å; H64-L67 PolarHBondContact O-N 3.11Å; L67-R69 PolarHBondContact O-N 3.17Å; L67-L70 PolarHBondContact O-N 3.14Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CG-CD1 3.75Å; L67-L71 WeakPolarHBondContact O-CD1 3.21Å; L67-L71 PolarHBondContact O-N 3.39Å
68L92.3Very high88.4Confident27 Ų2757 Ų5714%0.14133%0.328CS..Hα-helixtrans-52-52.4172175.369.4000111.2G54 I57 H64 I66 L70 L71 L72G54-L68 WeakPolarHBondContact O-CD1 3.44Å; I57-L68 HydrophobicContact CD1-CB 4.32Å; H64-L68 VanDerWaalsContact O-CB 3.29Å; H64-L68 WeakPolarHBondContact O-CB 3.41Å; H64-L68 PolarHBondContact O-N 3.01Å; I66-L68 VanDerWaalsContact C-N 3.35Å; I66-L68 PolarHBondContact O-N 3.2Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.28Å; L68-L72 HydrophobicContact CD1-CD1 3.54Å; L68-L72 HydrophobicContact CG-CD1 4.06Å; L68-L72 WeakPolarHBondContact O-CD1 3.35Å; L68-L72 PolarHBondContact O-N 3.16Å
69R92.7Very high88.7Confident52 Ų5254.6 Ų54.620%0.19631%0.311CS..Hα-helixtrans-64.3-37.3-179.1-64.4-63.7178.3-171.33112.4M65 I66 L67 M73 N103 H106 L107 L110M65-R69 VanDerWaalsContact O-CG 3.25Å; M65-R69 WeakPolarHBondContact O-CG 3.47Å; M65-R69 PolarHBondContact O-N 2.9Å; I66-R69 PolarHBondContact O-N 3.12Å; L67-R69 PolarHBondContact O-N 3.17Å; R69-M73 WeakPolarHBondContact O-CB 3.29Å; R69-M73 WeakPolarHBondContact O-CG 3.36Å; R69-M73 PolarHBondContact O-N 2.93Å; R69-N103 WeakPolarHBondContact CD-OD1 3.35Å; R69-N103 PolarHBondContact NH1-OD1 3.01Å; R69-H106 PolarHBondContact NE-CD2 2.89Å; R69-H106 PolarHBondContact NH2-CD2 3.32Å; R69-H106 PolarHBondContact NH2-NE2 3.37Å; R69-L107 HydrophobicContact CB-CB 4.27Å; R69-L107 HydrophobicContact CB-CD1 4.33Å; R69-L110 HydrophobicContact CG-CD1 4.19Å
70L93Very high89.1Confident78 Ų7850.3 Ų50.341%0.40828%0.284SS..Hα-helixtrans-65-43.9175.4-71.8171.5000112I66 L67 L68 M73 T74 L107I66-L70 HydrophobicContact CG2-CD1 4.05Å; I66-L70 HydrophobicContact CG2-CG 4.5Å; I66-L70 WeakPolarHBondContact O-CG 3.05Å; I66-L70 PolarHBondContact O-N 3.41Å; L67-L70 PolarHBondContact O-N 3.14Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 3.22Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 3.23Å; L70-T74 PolarHBondContact O-N 2.9Å; L70-T74 PolarHBondContact O-OG1 2.98Å; L70-L107 HydrophobicContact CD2-CD1 4.39Å; L70-L107 HydrophobicContact CD2-CD2 3.67Å; L70-L107 HydrophobicContact CG-CD1 4.33Å; L70-L107 HydrophobicContact CG-CD2 4.42Å
71L92.9Very high89.7Confident35 Ų3545.9 Ų45.918%0.18326%0.26CS..Hα-helixtrans-67.6-38178.1-88.180.7000112.1L53 G54 I57 L67 L68 T74 G75L53-L71 HydrophobicContact CB-CD2 3.44Å; L53-L71 VanDerWaalsContact CB-CD2 3.44Å; G54-L71 VanDerWaalsContact N-CD2 3.33Å; I57-L71 HydrophobicContact CD1-CD1 4.46Å; L67-L71 HydrophobicContact CD1-CD1 3.52Å; L67-L71 HydrophobicContact CG-CD1 3.75Å; L67-L71 WeakPolarHBondContact O-CD1 3.21Å; L67-L71 PolarHBondContact O-N 3.39Å; L68-L71 PolarHBondContact O-N 3.28Å; L71-T74 PolarHBondContact O-N 3.46Å; L71-G75 PolarHBondContact O-N 3.5Å
72L92.9Very high90.1Very high35 Ų3542.4 Ų42.418%0.18324%0.24CC..Hα-helixtrans-62-42.8172.7-92.671.1000111.7L51 L68 G75 C76L51-L72 HydrophobicContact CD2-CG 4.23Å; L68-L72 HydrophobicContact CD1-CD1 3.54Å; L68-L72 HydrophobicContact CG-CD1 4.06Å; L68-L72 WeakPolarHBondContact O-CD1 3.35Å; L68-L72 PolarHBondContact O-N 3.16Å; L72-G75 PolarHBondContact O-N 3.1Å; L72-C76 PolarHBondContact O-N 2.69Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-C76 VanDerWaalsContact O-SG 3.34Å
73M94.9Very high90.6Very high31 Ų3139.9 Ų39.915%0.15321%0.214CC..Hα-helixtrans-61-44.2175.6-74-77.5-64.600112.1R69 L70 C76 S77 L100 N103 F104R69-M73 WeakPolarHBondContact O-CB 3.29Å; R69-M73 WeakPolarHBondContact O-CG 3.36Å; R69-M73 PolarHBondContact O-N 2.93Å; L70-M73 WeakPolarHBondContact O-CB 3.48Å; L70-M73 PolarHBondContact O-N 3.23Å; M73-C76 PolarHBondContact O-N 2.83Å; M73-S77 WeakPolarHBondContact O-CB 3.23Å; M73-S77 PolarHBondContact O-N 3.05Å; M73-S77 PolarHBondContact O-OG 3.09Å; M73-L100 HydrophobicContact CB-CD1 4.18Å; M73-L100 HydrophobicContact CE-CD1 3.48Å; M73-L100 VanDerWaalsContact CE-CD1 3.48Å; M73-L100 HydrophobicContact CE-CG 3.77Å; M73-L100 HydrophobicContact CG-CD1 4.46Å; M73-L100 VanDerWaalsContact O-CD1 3.32Å; M73-L100 WeakPolarHBondContact O-CD1 3.38Å; M73-L100 HydrophobicContact SD-CB 4.5Å; M73-L100 HydrophobicContact SD-CD1 3.48Å; M73-L100 WeakPolarHBondContact SD-CD1 3.49Å; M73-L100 HydrophobicContact SD-CG 3.86Å; M73-N103 HydrophobicContact CG-CB 3.92Å; M73-N103 HydrophobicContact SD-CB 3.72Å; M73-F104 HydrophobicContact CE-CB 3.77Å; M73-F104 HydrophobicContact CE-CD2 3.86Å; M73-F104 HydrophobicContact CE-CG 4.29Å; M73-F104 HydrophobicContact SD-CB 3.9Å; M73-F104 PolarHBondContact SD-N 3.11Å; M73-F104 VanDerWaalsContact SD-N 3.4Å
74T94.4Very high90.6Very high73 Ų7337.5 Ų37.545%0.44820%0.204SC..Hα-helixtrans-61.8-44.7175.8-57.50000110.9L70 L71 S77 L78L70-T74 PolarHBondContact O-N 2.9Å; L70-T74 PolarHBondContact O-OG1 2.98Å; L71-T74 PolarHBondContact O-N 3.46Å; T74-S77 PolarHBondContact O-N 2.82Å; T74-L78 HydrophobicContact CG2-CD1 4.11Å; T74-L78 VanDerWaalsContact O-CG 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.49Å; T74-L78 PolarHBondContact O-N 3.42Å
75G93.1Very high90.2Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-60.6-50.3176.400000113S50 L71 L72 S77 L78 F79S50-G75 WeakPolarHBondContact OG-CA 3.42Å; S50-G75 PolarHBondContact OG-N 3.41Å; L71-G75 PolarHBondContact O-N 3.5Å; L72-G75 PolarHBondContact O-N 3.1Å; G75-S77 VanDerWaalsContact C-N 3.29Å; G75-S77 PolarHBondContact O-N 2.96Å; G75-L78 PolarHBondContact O-N 3.29Å; G75-F79 WeakPolarHBondContact O-CD2 3Å; G75-F79 PolarHBondContact O-N 2.92Å
76C92.9Very high89.6Confident9 Ų943 Ų436%0.06123%0.229CC..Hα-helixtrans-58.7-40.4176.3-68.80000111.9L72 M73 F79 I80 L100L72-C76 PolarHBondContact O-N 2.69Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-C76 VanDerWaalsContact O-SG 3.34Å; M73-C76 PolarHBondContact O-N 2.83Å; C76-F79 PolarHBondContact O-N 2.87Å; C76-I80 WeakPolarHBondContact O-CD1 3.27Å; C76-I80 WeakPolarHBondContact O-CG1 3.48Å; C76-I80 PolarHBondContact O-N 3.18Å; C76-L100 HydrophobicContact CB-CB 4.25Å; C76-L100 HydrophobicContact CB-CD1 3.98Å
77S92.6Very high88.7Confident55 Ų5546.7 Ų46.739%0.38524%0.241SC..Hα-helixtrans-64.6-41177.8-56.40000112.2M73 T74 G75 I80 A81 L100M73-S77 WeakPolarHBondContact O-CB 3.23Å; M73-S77 PolarHBondContact O-N 3.05Å; M73-S77 PolarHBondContact O-OG 3.09Å; T74-S77 PolarHBondContact O-N 2.82Å; G75-S77 VanDerWaalsContact C-N 3.29Å; G75-S77 PolarHBondContact O-N 2.96Å; S77-I80 PolarHBondContact O-N 3.4Å; S77-A81 WeakPolarHBondContact O-CB 3.5Å; S77-A81 PolarHBondContact O-N 3.26Å; S77-L100 WeakPolarHBondContact OG-CD1 3.24Å
78L92.1Very high87.8Confident31 Ų3146.7 Ų46.716%0.16225%0.246CC..Hα-helixtrans-66.9-37.7176.2-69.1170.1000112.1L43 L46 T74 G75 A81 W82L43-L78 HydrophobicContact CD2-CD2 3.86Å; L46-L78 HydrophobicContact CB-CD1 4.17Å; L46-L78 HydrophobicContact CD2-CD1 4.02Å; L46-L78 HydrophobicContact CD2-CD2 4.2Å; L46-L78 HydrophobicContact CG-CD1 3.75Å; T74-L78 HydrophobicContact CG2-CD1 4.11Å; T74-L78 VanDerWaalsContact O-CG 3.29Å; T74-L78 WeakPolarHBondContact O-CG 3.49Å; T74-L78 PolarHBondContact O-N 3.42Å; G75-L78 PolarHBondContact O-N 3.29Å; L78-A81 PolarHBondContact O-N 3.09Å; L78-W82 WeakPolarHBondContact O-CB 3.33Å; L78-W82 PolarHBondContact O-N 3.46Å
79F89.6Confident87.2Confident20 Ų2048.4 Ų48.49%0.08826%0.256CS..Hα-helixtrans-67.9-38173.6-79.3-64.1000113F44 L51 G75 C76 W82 A83 N96F44-F79 HydrophobicContact CD2-CD1 4.19Å; F44-F79 AromaticContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CD2-CE1 3.54Å; F44-F79 HydrophobicContact CE2-CD1 4.49Å; F44-F79 AromaticContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CE2-CE1 3.64Å; F44-F79 HydrophobicContact CG-CE1 4.42Å; L51-F79 HydrophobicContact CD1-CD2 4.41Å; L51-F79 HydrophobicContact CD1-CE2 3.6Å; L51-F79 HydrophobicContact CD1-CZ 4.43Å; L51-F79 HydrophobicContact CG-CE2 4.25Å; G75-F79 WeakPolarHBondContact O-CD2 3Å; G75-F79 PolarHBondContact O-N 2.92Å; C76-F79 PolarHBondContact O-N 2.87Å; F79-W82 PolarHBondContact O-N 3.29Å; F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.38Å; F79-A83 PolarHBondContact O-N 2.85Å; F79-N96 HydrophobicContact CB-CB 4.48Å; F79-N96 WeakPolarHBondContact CB-OD1 3.48Å
80I89.9Confident86.7Confident30 Ų3051.8 Ų51.815%0.15428%0.277CS..Hα-helixtrans-62.6-48.2173.4-67.9159.9000110C76 S77 W82 A83 T84 M93 N96 V97 L100C76-I80 WeakPolarHBondContact O-CD1 3.27Å; C76-I80 WeakPolarHBondContact O-CG1 3.48Å; C76-I80 PolarHBondContact O-N 3.18Å; S77-I80 PolarHBondContact O-N 3.4Å; I80-W82 VanDerWaalsContact C-N 3.3Å; I80-W82 PolarHBondContact O-N 3.48Å; I80-A83 PolarHBondContact O-N 3.03Å; I80-T84 HydrophobicContact CG2-CG2 4.28Å; I80-T84 WeakPolarHBondContact O-CB 3.43Å; I80-T84 WeakPolarHBondContact O-CG2 3.3Å; I80-T84 PolarHBondContact O-N 2.95Å; I80-T84 PolarHBondContact O-OG1 2.88Å; I80-M93 HydrophobicContact CG2-CG 4.34Å; I80-N96 HydrophobicContact CD1-CB 4.13Å; I80-N96 HydrophobicContact CG1-CB 3.57Å; I80-V97 HydrophobicContact CD1-CB 4.44Å; I80-V97 HydrophobicContact CD1-CG2 3.66Å; I80-V97 HydrophobicContact CG1-CG2 4.05Å; I80-L100 HydrophobicContact CD1-CD2 4.15Å
81A88.7Confident86.5Confident32 Ų3253 Ų5326%0.26428%0.284SS..Hα-helixtrans-60.1-41.3177.600000111.7S77 L78 T84 L85S77-A81 WeakPolarHBondContact O-CB 3.5Å; S77-A81 PolarHBondContact O-N 3.26Å; L78-A81 PolarHBondContact O-N 3.09Å; A81-T84 WeakPolarHBondContact CA-OG1 3.05Å; A81-T84 PolarHBondContact O-OG1 3.42Å; A81-T84 VanDerWaalsContact O-OG1 3.14Å; A81-L85 VanDerWaalsContact O-CB 3.25Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.34Å; A81-L85 PolarHBondContact O-N 3.28Å
82W87.6Confident86.2Confident15 Ų1553.5 Ų53.56%0.05729%0.289CS..Hα-helixtrans-65.8-45.8175.7176.376.7000112.9V39 L43 F44 L78 F79 I80 T84 Y86 R87V39-W82 WeakPolarHBondContact O-CZ2 3.42Å; L43-W82 HydrophobicContact CB-CB 4.17Å; F44-W82 HydrophobicContact CB-CD2 4.48Å; F44-W82 HydrophobicContact CB-CG 4.41Å; F44-W82 HydrophobicContact CD2-CD2 4.3Å; F44-W82 HydrophobicContact CD2-CE3 4.39Å; F44-W82 HydrophobicContact CD2-CH2 4.16Å; F44-W82 HydrophobicContact CD2-CZ2 4.09Å; F44-W82 HydrophobicContact CD2-CZ3 4.34Å; F44-W82 HydrophobicContact CE2-CH2 4.46Å; L78-W82 WeakPolarHBondContact O-CB 3.33Å; L78-W82 PolarHBondContact O-N 3.46Å; F79-W82 PolarHBondContact O-N 3.29Å; I80-W82 VanDerWaalsContact C-N 3.3Å; I80-W82 PolarHBondContact O-N 3.48Å; W82-T84 VanDerWaalsContact C-N 3.34Å; W82-T84 PolarHBondContact O-N 2.72Å; W82-Y86 PolarHBondContact O-N 2.85Å; W82-Y86 VanDerWaalsContact O-N 3.09Å; W82-R87 VanDerWaalsContact CH2-NH1 3.25Å
83A85.8Confident86Confident1 Ų154.4 Ų54.41%0.00829%0.292CS..Iπ-helixtrans-66.5-35.2-178.900000112.7F79 I80 R87 C88 N89 V92 M93F79-A83 VanDerWaalsContact O-CB 3.26Å; F79-A83 WeakPolarHBondContact O-CB 3.38Å; F79-A83 PolarHBondContact O-N 2.85Å; I80-A83 PolarHBondContact O-N 3.03Å; A83-R87 CarbonylContact O-C 3.57Å; A83-C88 WeakPolarHBondContact O-CA 3.2Å; A83-C88 PolarHBondContact O-N 3.4Å; A83-N89 PolarHBondContact O-N 2.93Å; A83-V92 HydrophobicContact CB-CB 4.39Å; A83-V92 HydrophobicContact CB-CG1 4.13Å; A83-M93 HydrophobicContact CB-CB 4.33Å
84T81.9Confident85.9Confident63 Ų6356.6 Ų56.639%0.38731%0.308SS..Iπ-helixtrans-78.3-44.7179.748.60000112.9I80 A81 W82 M93I80-T84 HydrophobicContact CG2-CG2 4.28Å; I80-T84 WeakPolarHBondContact O-CB 3.43Å; I80-T84 WeakPolarHBondContact O-CG2 3.3Å; I80-T84 PolarHBondContact O-N 2.95Å; I80-T84 PolarHBondContact O-OG1 2.88Å; A81-T84 WeakPolarHBondContact CA-OG1 3.05Å; A81-T84 PolarHBondContact O-OG1 3.42Å; A81-T84 VanDerWaalsContact O-OG1 3.14Å; W82-T84 VanDerWaalsContact C-N 3.34Å; W82-T84 PolarHBondContact O-N 2.72Å; T84-M93 HydrophobicContact CG2-CG 3.94Å; T84-M93 HydrophobicContact CG2-SD 3.44Å; T84-M93 WeakPolarHBondContact CG2-SD 3.39Å
85L80Confident85.8Confident124 Ų12459.8 Ų59.865%0.64931%0.311SS*.Iπ-helixtrans-83.2-32.1-173.6-63.8173.7000113.6A81A81-L85 VanDerWaalsContact O-CB 3.25Å; A81-L85 WeakPolarHBondContact O-CB 3.36Å; A81-L85 VanDerWaalsContact O-CG 3.26Å; A81-L85 WeakPolarHBondContact O-CG 3.34Å; A81-L85 PolarHBondContact O-N 3.28Å
86Y74.3Confident85.7Confident95 Ų9561 Ų6137%0.37332%0.318SS..Iπ-helixtrans-118.3-30.8-168.2-59.4-88000114.5H41 L43 W82H41-Y86 AromaticContact CD2-CE1 3.59Å; H41-Y86 AromaticContact CD2-CZ 3.9Å; H41-Y86 AromaticContact CE1-CE1 3.89Å; H41-Y86 AromaticContact CE1-CE2 3.88Å; H41-Y86 AromaticContact CE1-CZ 3.39Å; H41-Y86 PolarHBondContact CE1-OH 3.02Å; H41-Y86 VanDerWaalsContact CE1-OH 3.22Å; H41-Y86 AromaticContact ND1-CE2 3.91Å; H41-Y86 AromaticContact ND1-CZ 3.82Å; H41-Y86 AromaticContact NE2-CE1 3.5Å; H41-Y86 WeakPolarHBondContact NE2-CE1 3.43Å; H41-Y86 AromaticContact NE2-CZ 3.46Å; H41-Y86 PolarHBondContact NE2-OH 3.19Å; L43-Y86 HydrophobicContact CD1-CD2 4.37Å; L43-Y86 HydrophobicContact CD1-CE2 3.58Å; W82-Y86 PolarHBondContact O-N 2.85Å; W82-Y86 VanDerWaalsContact O-N 3.09Å
87R70.3Confident85.8Confident101 Ų10163.5 Ų63.538%0.38133%0.333SS..Iπ-helixtrans-119.1-4.7-169.3-146.5160.2-169.4155.90.4115.4W82 A83 N89W82-R87 VanDerWaalsContact CH2-NH1 3.25Å; A83-R87 CarbonylContact O-C 3.57Å; R87-N89 PolarHBondContact O-N 2.9Å
88C71.8Confident86Confident73 Ų7364.1 Ų64.149%0.49333%0.334SS..  trans47.230.8177.8-138.40000112.5C33 A83C33-C88 HydrophobicContact CB-CB 3.83Å; C33-C88 WeakPolarHBondContact CB-SG 3.36Å; C33-C88 WeakPolarHBondContact SG-CB 3.18Å; C33-C88 CovalentContact SG-SG 2.07Å; C33-C88 PolarHBondContact SG-SG 2.91Å; A83-C88 WeakPolarHBondContact O-CA 3.2Å; A83-C88 PolarHBondContact O-N 3.4Å
89N79.5Confident86Confident64 Ų6467.8 Ų67.834%0.34235%0.349SS..  trans-99.4100.5-170.5-169.5-54.4000109.8A83 R87 D91 V92 M93A83-N89 PolarHBondContact O-N 2.93Å; R87-N89 PolarHBondContact O-N 2.9Å; N89-D91 VanDerWaalsContact C-N 3.35Å; N89-D91 PolarHBondContact O-N 2.63Å; N89-D91 PolarHBondContact OD1-N 3.48Å; N89-V92 HydrophobicContact CB-CB 4.48Å; N89-V92 PolarHBondContact OD1-N 2.82Å; N89-V92 VanDerWaalsContact OD1-N 3.11Å; N89-M93 WeakPolarHBondContact O-CB 3.41Å; N89-M93 PolarHBondContact O-N 3.33Å
90L83Confident86.3Confident123 Ų12368.6 Ų68.664%0.64435%0.354SS*.Hα-helixtrans-65.7-35.4-175.9-66.8177.6000112.9M93 V94L90-M93 HydrophobicContact CD2-CE 3.66Å; L90-M93 HydrophobicContact CD2-SD 4.43Å; L90-M93 WeakPolarHBondContact O-CB 3.48Å; L90-M93 PolarHBondContact O-N 3Å; L90-V94 WeakPolarHBondContact O-CB 3.42Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.13Å
91D87.4Confident86.6Confident103 Ų10371 Ų7155%0.55137%0.37SS*.Hα-helixtrans-65.1-49.8-178.2-175.845.7000111.3N89 M93 V94 W95N89-D91 VanDerWaalsContact C-N 3.35Å; N89-D91 PolarHBondContact O-N 2.63Å; N89-D91 PolarHBondContact OD1-N 3.48Å; D91-M93 VanDerWaalsContact C-N 3.28Å; D91-M93 PolarHBondContact O-N 2.89Å; D91-V94 PolarHBondContact O-N 2.52Å; D91-W95 VanDerWaalsContact O-CD1 3.24Å; D91-W95 PolarHBondContact O-N 3.05Å; D91-W95 VanDerWaalsContact OD1-CD1 3.25Å; D91-W95 PolarHBondContact OD1-NE1 2.74Å; D91-W95 VanDerWaalsContact OD1-NE1 3.17Å
92V87.2Confident86.9Confident46 Ų4673.4 Ų73.428%0.27938%0.381SS..Hα-helixtrans-60.7-39.4175.7176.50000111.3A83 N89 N96A83-V92 HydrophobicContact CB-CB 4.39Å; A83-V92 HydrophobicContact CB-CG1 4.13Å; N89-V92 HydrophobicContact CB-CB 4.48Å; N89-V92 PolarHBondContact OD1-N 2.82Å; N89-V92 VanDerWaalsContact OD1-N 3.11Å; V92-N96 WeakPolarHBondContact O-CB 3.43Å; V92-N96 PolarHBondContact O-N 3.47Å; V92-N96 VanDerWaalsContact O-N 3.15Å; V92-N96 PolarHBondContact O-ND2 2.84Å
93M89.1Confident87.2Confident53 Ų5373.1 Ų73.126%0.26138%0.381SS..Hα-helixtrans-61.9-50.6176.3-177.9-169.574.800111.4I80 A83 T84 N89 L90 D91 W95 N96 V97I80-M93 HydrophobicContact CG2-CG 4.34Å; A83-M93 HydrophobicContact CB-CB 4.33Å; T84-M93 HydrophobicContact CG2-CG 3.94Å; T84-M93 HydrophobicContact CG2-SD 3.44Å; T84-M93 WeakPolarHBondContact CG2-SD 3.39Å; N89-M93 WeakPolarHBondContact O-CB 3.41Å; N89-M93 PolarHBondContact O-N 3.33Å; L90-M93 HydrophobicContact CD2-CE 3.66Å; L90-M93 HydrophobicContact CD2-SD 4.43Å; L90-M93 WeakPolarHBondContact O-CB 3.48Å; L90-M93 PolarHBondContact O-N 3Å; D91-M93 VanDerWaalsContact C-N 3.28Å; D91-M93 PolarHBondContact O-N 2.89Å; M93-W95 PolarHBondContact O-N 2.74Å; M93-N96 PolarHBondContact O-N 2.9Å; M93-V97 WeakPolarHBondContact O-CG2 3.44Å; M93-V97 PolarHBondContact O-N 3.12Å
94V92.1Very high87.6Confident78 Ų7878.1 Ų78.147%0.47340%0.402SS..Hα-helixtrans-59.6-48.5-177.81690000110.7L90 D91 N96 V97 V98L90-V94 WeakPolarHBondContact O-CB 3.42Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 3.13Å; D91-V94 PolarHBondContact O-N 2.52Å; V94-N96 PolarHBondContact O-N 2.97Å; V94-V97 PolarHBondContact O-N 2.79Å; V94-V98 WeakPolarHBondContact O-CG2 3.23Å; V94-V98 PolarHBondContact O-N 3.01Å
95W93.1Very high88.2Confident139 Ų13980.4 Ų80.453%0.52741%0.41SS..Hα-helixtrans-61.9-43.2179.2-79.2110.4000112.8D91 M93 V97 V98 F99D91-W95 VanDerWaalsContact O-CD1 3.24Å; D91-W95 PolarHBondContact O-N 3.05Å; D91-W95 VanDerWaalsContact OD1-CD1 3.25Å; D91-W95 PolarHBondContact OD1-NE1 2.74Å; D91-W95 VanDerWaalsContact OD1-NE1 3.17Å; M93-W95 PolarHBondContact O-N 2.74Å; W95-V97 VanDerWaalsContact C-N 3.32Å; W95-V97 PolarHBondContact O-N 2.96Å; W95-V98 PolarHBondContact O-N 3.38Å; W95-F99 HydrophobicContact CB-CE2 4.42Å; W95-F99 HydrophobicContact CE3-CE2 4.39Å; W95-F99 WeakPolarHBondContact O-CD2 3.49Å; W95-F99 PolarHBondContact O-N 2.62Å
96N91.4Very high88.8Confident25 Ų2577.5 Ų77.513%0.13439%0.393CS..Hα-helixtrans-67.2-32.8177.8-79.4-80.3000112.5F79 I80 V92 M93 V94 F99 L100F79-N96 HydrophobicContact CB-CB 4.48Å; F79-N96 WeakPolarHBondContact CB-OD1 3.48Å; I80-N96 HydrophobicContact CD1-CB 4.13Å; I80-N96 HydrophobicContact CG1-CB 3.57Å; V92-N96 WeakPolarHBondContact O-CB 3.43Å; V92-N96 PolarHBondContact O-N 3.47Å; V92-N96 VanDerWaalsContact O-N 3.15Å; V92-N96 PolarHBondContact O-ND2 2.84Å; M93-N96 PolarHBondContact O-N 2.9Å; V94-N96 PolarHBondContact O-N 2.97Å; N96-F99 PolarHBondContact O-N 3.21Å; N96-L100 VanDerWaalsContact O-CB 3.32Å; N96-L100 WeakPolarHBondContact O-CB 3.23Å; N96-L100 PolarHBondContact O-N 3.42Å
97V94.6Very high89.6Confident62 Ų6273.9 Ų73.938%0.37638%0.38SS..Hα-helixtrans-64.6-44172.31700000110.9I80 M93 V94 W95 F99 L100 V101I80-V97 HydrophobicContact CD1-CB 4.44Å; I80-V97 HydrophobicContact CD1-CG2 3.66Å; I80-V97 HydrophobicContact CG1-CG2 4.05Å; M93-V97 WeakPolarHBondContact O-CG2 3.44Å; M93-V97 PolarHBondContact O-N 3.12Å; V94-V97 PolarHBondContact O-N 2.79Å; W95-V97 VanDerWaalsContact C-N 3.32Å; W95-V97 PolarHBondContact O-N 2.96Å; V97-F99 PolarHBondContact O-N 3.37Å; V97-L100 WeakPolarHBondContact O-CB 3.45Å; V97-L100 PolarHBondContact O-N 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.34Å; V97-V101 PolarHBondContact O-N 3.48Å
98V96.1Very high90.6Very high68 Ų6875 Ų7541%0.41239%0.388SS..Hα-helixtrans-60-46.9175.8173.70000110.7V94 W95 L100 V101 V102V94-V98 WeakPolarHBondContact O-CG2 3.23Å; V94-V98 PolarHBondContact O-N 3.01Å; W95-V98 PolarHBondContact O-N 3.38Å; V98-L100 VanDerWaalsContact C-N 3.31Å; V98-L100 PolarHBondContact O-N 3.43Å; V98-V101 PolarHBondContact O-N 2.94Å; V98-V102 WeakPolarHBondContact O-CG2 3.34Å; V98-V102 PolarHBondContact O-N 3.46Å
99F93.3Very high91.4Very high108 Ų10877.2 Ų77.247%0.47439%0.389SS..Hα-helixtrans-62.4-37.6176.3-72.5-57.1000112.7W95 N96 V97 N103W95-F99 HydrophobicContact CB-CE2 4.42Å; W95-F99 HydrophobicContact CE3-CE2 4.39Å; W95-F99 WeakPolarHBondContact O-CD2 3.49Å; W95-F99 PolarHBondContact O-N 2.62Å; N96-F99 PolarHBondContact O-N 3.21Å; V97-F99 PolarHBondContact O-N 3.37Å; F99-N103 WeakPolarHBondContact O-CB 3.4Å; F99-N103 PolarHBondContact O-N 3.18Å; F99-N103 PolarHBondContact O-ND2 3.34Å
100L94.9Very high91.8Very high38 Ų3875.4 Ų75.420%0.19938%0.379CS..Hα-helixtrans-60.9-49.1174.5-168.877.9000110.6M73 C76 S77 I80 N96 V97 V98 V102 N103 F104M73-L100 HydrophobicContact CB-CD1 4.18Å; M73-L100 HydrophobicContact CE-CD1 3.48Å; M73-L100 VanDerWaalsContact CE-CD1 3.48Å; M73-L100 HydrophobicContact CE-CG 3.77Å; M73-L100 HydrophobicContact CG-CD1 4.46Å; M73-L100 VanDerWaalsContact O-CD1 3.32Å; M73-L100 WeakPolarHBondContact O-CD1 3.38Å; M73-L100 HydrophobicContact SD-CB 4.5Å; M73-L100 HydrophobicContact SD-CD1 3.48Å; M73-L100 WeakPolarHBondContact SD-CD1 3.49Å; M73-L100 HydrophobicContact SD-CG 3.86Å; C76-L100 HydrophobicContact CB-CB 4.25Å; C76-L100 HydrophobicContact CB-CD1 3.98Å; S77-L100 WeakPolarHBondContact OG-CD1 3.24Å; I80-L100 HydrophobicContact CD1-CD2 4.15Å; N96-L100 VanDerWaalsContact O-CB 3.32Å; N96-L100 WeakPolarHBondContact O-CB 3.23Å; N96-L100 PolarHBondContact O-N 3.42Å; V97-L100 WeakPolarHBondContact O-CB 3.45Å; V97-L100 PolarHBondContact O-N 3.24Å; V98-L100 VanDerWaalsContact C-N 3.31Å; V98-L100 PolarHBondContact O-N 3.43Å; L100-V102 PolarHBondContact O-N 3.25Å; L100-N103 PolarHBondContact O-N 2.97Å; L100-F104 VanDerWaalsContact O-CB 3.27Å; L100-F104 WeakPolarHBondContact O-CB 3.32Å; L100-F104 PolarHBondContact O-N 3.4Å
101V96.3Very high91.9Very high79 Ų7973.3 Ų73.348%0.47937%0.369SS..Hα-helixtrans-61.9-45.2179.6173.30000111.4V97 V98 F104 M105V97-V101 WeakPolarHBondContact O-CG2 3.34Å; V97-V101 PolarHBondContact O-N 3.48Å; V98-V101 PolarHBondContact O-N 2.94Å; V101-F104 PolarHBondContact O-N 2.87Å; V101-M105 WeakPolarHBondContact O-CG 3.43Å; V101-M105 PolarHBondContact O-N 3Å
102V95.6Very high91.5Very high84 Ų8476.7 Ų76.751%0.50938%0.375SS..Hα-helixtrans-62.6-45.4178.6172.70000111.3V98 L100 F104 M105 H106V98-V102 WeakPolarHBondContact O-CG2 3.34Å; V98-V102 PolarHBondContact O-N 3.46Å; L100-V102 PolarHBondContact O-N 3.25Å; V102-F104 VanDerWaalsContact C-N 3.33Å; V102-F104 PolarHBondContact O-N 3.06Å; V102-M105 PolarHBondContact O-N 3.2Å; V102-H106 WeakPolarHBondContact O-CB 3.26Å; V102-H106 PolarHBondContact O-N 3.16Å
103N93.3Very high90.9Very high8 Ų882.2 Ų82.24%0.04340%0.395CS..Hα-helixtrans-67.4-34.4178.1-78.9-73.5000112.1R69 M73 F99 L100 H106 L107R69-N103 WeakPolarHBondContact CD-OD1 3.35Å; R69-N103 PolarHBondContact NH1-OD1 3.01Å; M73-N103 HydrophobicContact CG-CB 3.92Å; M73-N103 HydrophobicContact SD-CB 3.72Å; F99-N103 WeakPolarHBondContact O-CB 3.4Å; F99-N103 PolarHBondContact O-N 3.18Å; F99-N103 PolarHBondContact O-ND2 3.34Å; L100-N103 PolarHBondContact O-N 2.97Å; N103-H106 PolarHBondContact O-N 2.78Å; N103-L107 VanDerWaalsContact O-CB 3.25Å; N103-L107 WeakPolarHBondContact O-CB 3.26Å; N103-L107 PolarHBondContact O-N 2.85Å
104F94.6Very high89.9Confident106 Ų10686.1 Ų86.147%0.46541%0.407SS..Hα-helixtrans-64.1-47.2174.1-177.1-98.5000111.7M73 L100 V101 V102 H106 L107 F108M73-F104 HydrophobicContact CE-CB 3.77Å; M73-F104 HydrophobicContact CE-CD2 3.86Å; M73-F104 HydrophobicContact CE-CG 4.29Å; M73-F104 HydrophobicContact SD-CB 3.9Å; M73-F104 PolarHBondContact SD-N 3.11Å; M73-F104 VanDerWaalsContact SD-N 3.4Å; L100-F104 VanDerWaalsContact O-CB 3.27Å; L100-F104 WeakPolarHBondContact O-CB 3.32Å; L100-F104 PolarHBondContact O-N 3.4Å; V101-F104 PolarHBondContact O-N 2.87Å; V102-F104 VanDerWaalsContact C-N 3.33Å; V102-F104 PolarHBondContact O-N 3.06Å; F104-H106 VanDerWaalsContact C-N 3.33Å; F104-H106 PolarHBondContact O-N 2.82Å; F104-L107 WeakPolarHBondContact O-CB 3.41Å; F104-L107 PolarHBondContact O-N 3.46Å; F104-F108 WeakPolarHBondContact O-CB 3.18Å; F104-F108 PolarHBondContact O-N 2.75Å
105M94.3Very high88.4Confident112 Ų11291.2 Ų91.255%0.55242%0.418SS*.Hα-helixtrans-61.4-42.5176.7-70.8-61.8151.700111.6V101 V102 F108 F109V101-M105 WeakPolarHBondContact O-CG 3.43Å; V101-M105 PolarHBondContact O-N 3Å; V102-M105 PolarHBondContact O-N 3.2Å; M105-F108 PolarHBondContact O-N 2.55Å; M105-F109 WeakPolarHBondContact O-CB 3.22Å; M105-F109 PolarHBondContact O-N 3.35Å
106H92.9Very high86.3Confident63 Ų6388.9 Ų88.929%0.29242%0.421SS..Hα-helixtrans-68.5-38.3177.7-161.688000112.4R69 V102 N103 F104 F109 L110R69-H106 PolarHBondContact NE-CD2 2.89Å; R69-H106 PolarHBondContact NH2-CD2 3.32Å; R69-H106 PolarHBondContact NH2-NE2 3.37Å; V102-H106 WeakPolarHBondContact O-CB 3.26Å; V102-H106 PolarHBondContact O-N 3.16Å; N103-H106 PolarHBondContact O-N 2.78Å; F104-H106 VanDerWaalsContact C-N 3.33Å; F104-H106 PolarHBondContact O-N 2.82Å; H106-F109 PolarHBondContact O-N 3.42Å; H106-L110 VanDerWaalsContact CD2-CD1 3.48Å; H106-L110 WeakPolarHBondContact CD2-CD1 3.37Å; H106-L110 WeakPolarHBondContact O-CB 3.04Å; H106-L110 VanDerWaalsContact O-CG 3.28Å; H106-L110 WeakPolarHBondContact O-CG 3.46Å; H106-L110 PolarHBondContact O-N 3.09Å
107L92Very high84.5Confident18 Ų1894.1 Ų94.19%0.09445%0.447CS..Hα-helixtrans-59.7-47.7172.2176.165.5000110.3I66 R69 L70 N103 F104 F109 L110 L111I66-L107 HydrophobicContact CG2-CD1 3.86Å; R69-L107 HydrophobicContact CB-CB 4.27Å; R69-L107 HydrophobicContact CB-CD1 4.33Å; L70-L107 HydrophobicContact CD2-CD1 4.39Å; L70-L107 HydrophobicContact CD2-CD2 3.67Å; L70-L107 HydrophobicContact CG-CD1 4.33Å; L70-L107 HydrophobicContact CG-CD2 4.42Å; N103-L107 VanDerWaalsContact O-CB 3.25Å; N103-L107 WeakPolarHBondContact O-CB 3.26Å; N103-L107 PolarHBondContact O-N 2.85Å; F104-L107 WeakPolarHBondContact O-CB 3.41Å; F104-L107 PolarHBondContact O-N 3.46Å; L107-F109 PolarHBondContact O-N 3.34Å; L107-L110 PolarHBondContact O-N 3.45Å; L107-L111 HydrophobicContact CD1-CD1 4.18Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CG-CD1 3.99Å; L107-L111 HydrophobicContact CG-CG 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 2.87Å
108F90.3Very high82.3Confident125 Ų125100.4 Ų100.455%0.54847%0.469SS..Hα-helixtrans-61.6-43.6177.9-174-98000111.9F104 M105 L111 Y112F104-F108 WeakPolarHBondContact O-CB 3.18Å; F104-F108 PolarHBondContact O-N 2.75Å; M105-F108 PolarHBondContact O-N 2.55Å; F108-L111 PolarHBondContact O-N 3.37Å; F108-Y112 WeakPolarHBondContact O-CB 3.47Å; F108-Y112 PolarHBondContact O-N 2.9Å
109F89.2Confident80.5Confident119 Ų11998.5 Ų98.552%0.52246%0.457SS..Hα-helixtrans-60.1-45.9174.7175.7-98.3000112.4M105 H106 L107 Y112 K113M105-F109 WeakPolarHBondContact O-CB 3.22Å; M105-F109 PolarHBondContact O-N 3.35Å; H106-F109 PolarHBondContact O-N 3.42Å; L107-F109 PolarHBondContact O-N 3.34Å; F109-Y112 PolarHBondContact O-N 3.14Å; F109-K113 WeakPolarHBondContact O-CB 3.47Å; F109-K113 PolarHBondContact O-N 3.22Å
110L86.9Confident79.3Confident26 Ų2696.6 Ų96.614%0.13645%0.451CS..Hα-helixtrans-63.1-42.7176.5-73.7175.7000111.4M65 R69 H106 L107 K113 R114M65-L110 HydrophobicContact CB-CD1 4.07Å; R69-L110 HydrophobicContact CG-CD1 4.19Å; H106-L110 VanDerWaalsContact CD2-CD1 3.48Å; H106-L110 WeakPolarHBondContact CD2-CD1 3.37Å; H106-L110 WeakPolarHBondContact O-CB 3.04Å; H106-L110 VanDerWaalsContact O-CG 3.28Å; H106-L110 WeakPolarHBondContact O-CG 3.46Å; H106-L110 PolarHBondContact O-N 3.09Å; L107-L110 PolarHBondContact O-N 3.45Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-R114 WeakPolarHBondContact O-CB 3.25Å; L110-R114 WeakPolarHBondContact O-CG 3.15Å; L110-R114 PolarHBondContact O-N 3.15Å
111L84.5Confident78.3Confident80 Ų80104.9 Ų104.942%0.41948%0.48SS..Hα-helixtrans-63.2-41.8175.3-71.6174.4000111.1I66 L107 F108 R114 R115I66-L111 HydrophobicContact CD1-CD2 4.24Å; L107-L111 HydrophobicContact CD1-CD1 4.18Å; L107-L111 HydrophobicContact CD1-CG 4.22Å; L107-L111 HydrophobicContact CG-CD1 3.99Å; L107-L111 HydrophobicContact CG-CG 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.31Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.32Å; L107-L111 PolarHBondContact O-N 2.87Å; F108-L111 PolarHBondContact O-N 3.37Å; L111-R114 CarbonylContact O-C 3.6Å; L111-R114 PolarHBondContact O-N 3.48Å; L111-R115 VanDerWaalsContact O-CG 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.25Å; L111-R115 PolarHBondContact O-N 3.35Å
112Y80.1Confident77.4Confident173 Ų173102.5 Ų102.568%0.67846%0.464SS*.Hα-helixtrans-62.7-45.5176.8-172.8-97.1000111.7F108 F109 R114 R115F108-Y112 WeakPolarHBondContact O-CB 3.47Å; F108-Y112 PolarHBondContact O-N 2.9Å; F109-Y112 PolarHBondContact O-N 3.14Å; Y112-R114 VanDerWaalsContact C-N 3.33Å; Y112-R114 PolarHBondContact O-N 2.88Å; Y112-R115 WeakPolarHBondContact O-CB 3.06Å; Y112-R115 PolarHBondContact O-N 3.42Å
113K74.5Confident76.9Confident163 Ų16399 Ų9971%0.70944%0.442SS*.Hα-helixtrans-67.9-31.9176.1-170.7176.4-179.4178.80112.8F109 L110F109-K113 WeakPolarHBondContact O-CB 3.47Å; F109-K113 PolarHBondContact O-N 3.22Å; L110-K113 PolarHBondContact O-N 3.42Å
114R68Low76.5Confident135 Ų135104.8 Ų104.851%0.50946%0.463SS..Hα-helixtrans-87-10.6179.8-74-85.8-172.5137.94.6113.6G62 I66 L110 L111 Y112 P116G62-R114 VanDerWaalsContact O-CZ 3.23Å; G62-R114 PolarHBondContact O-NH1 2.92Å; G62-R114 PolarHBondContact O-NH2 3.16Å; I66-R114 HydrophobicContact CD1-CG 4.41Å; L110-R114 WeakPolarHBondContact O-CB 3.25Å; L110-R114 WeakPolarHBondContact O-CG 3.15Å; L110-R114 PolarHBondContact O-N 3.15Å; L111-R114 CarbonylContact O-C 3.6Å; L111-R114 PolarHBondContact O-N 3.48Å; Y112-R114 VanDerWaalsContact C-N 3.33Å; Y112-R114 PolarHBondContact O-N 2.88Å; R114-P116 WeakPolarHBondContact O-CD 3.03Å
115R59.8Low76.1Confident185 Ų185101.8 Ų101.870%0.69846%0.458SS*.SBendtrans-54.9113.1174.1-84.7-83.9-149.9176.76.3107.1L111 Y112 I117L111-R115 VanDerWaalsContact O-CG 3.31Å; L111-R115 WeakPolarHBondContact O-CG 3.25Å; L111-R115 PolarHBondContact O-N 3.35Å; Y112-R115 WeakPolarHBondContact O-CB 3.06Å; Y112-R115 PolarHBondContact O-N 3.42Å; R115-I117 PolarHBondContact O-N 3.28Å
116P50Low75.9Confident90 Ų9096.4 Ų96.458%0.58443%0.431SS*.  trans-60.6115.516925.6-30.8000105.6R114 K118R114-P116 WeakPolarHBondContact O-CD 3.03Å; P116-K118 PolarHBondContact O-N 2.98Å
117I52.5Low75.8Confident135 Ų13594.8 Ų94.869%0.69242%0.423SS*.  trans-53.7115.3166.8-61.9169.9000103.7R115 I119R115-I117 PolarHBondContact O-N 3.28Å; I117-I119 PolarHBondContact O-N 3.23Å
118K49.5Very low75.7Confident193 Ų193100.4 Ų100.484%0.83945%0.446SS*.  trans-53103.6-169.1-70.2177.5178.8177.90108.1P116 D120P116-K118 PolarHBondContact O-N 2.98Å; K118-D120 PolarHBondContact O-N 3.42Å
119I58.2Low75.7Confident29 Ų29102.4 Ų102.415%0.14945%0.45CS..  trans-59.6115.1166.4-58.3-178.6000104.3I117 R121 L123 R124 E138 Q142I117-I119 PolarHBondContact O-N 3.23Å; I119-R121 PolarHBondContact O-N 3.48Å; I119-L123 HydrophobicContact CG2-CB 3.41Å; I119-L123 VanDerWaalsContact CG2-CB 3.41Å; I119-L123 HydrophobicContact CG2-CD2 4.49Å; I119-R124 HydrophobicContact CG2-CB 4.29Å; I119-E138 HydrophobicContact CD1-CG 4.25Å; I119-Q142 HydrophobicContact CD1-CG 3.48Å; I119-Q142 VanDerWaalsContact CD1-CG 3.48Å; I119-Q142 HydrophobicContact CG1-CG 3.81Å
120D68Low75.7Confident67 Ų6797.8 Ų97.836%0.35843%0.431SS..  trans-51.4142.3175.5-163.4-21.4000108.2K118 E122 L123 R124 I151K118-D120 PolarHBondContact O-N 3.42Å; D120-E122 PolarHBondContact O-N 2.94Å; D120-L123 HydrophobicContact CB-CD1 4.14Å; D120-L123 PolarHBondContact O-N 2.73Å; D120-R124 PolarHBondContact O-N 2.88Å; D120-R124 VanDerWaalsContact O-N 3.15Å; D120-I151 HydrophobicContact CB-CD1 4.38Å
121R73.6Confident75.9Confident213 Ų21396.6 Ų96.680%0.80442%0.424SS*.Hα-helixtrans-51.3-31.8-178.8-172.5179.570.71672.3111.2I119 A125I119-R121 PolarHBondContact O-N 3.48Å; R121-A125 PolarHBondContact O-N 2.84Å
122E77.8Confident76.2Confident29 Ų2997.2 Ų97.214%0.13643%0.425CS..Hα-helixtrans-68.2-41.8176.8-60.3-179.6-174.400112.9D120 R124 A125 V126 L176 K225D120-E122 PolarHBondContact O-N 2.94Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.26Å; E122-A125 WeakPolarHBondContact O-CB 3.39Å; E122-A125 PolarHBondContact O-N 3.33Å; E122-V126 PolarHBondContact O-N 3.44Å; E122-L176 HydrophobicContact CB-CB 4.26Å; E122-L176 HydrophobicContact CB-CD1 4.36Å; E122-K225 WeakPolarHBondContact OE1-CD 3.37Å; E122-K225 IonicContact OE1-NZ 3.54Å; E122-K225 PolarHBondContact OE1-NZ 2.83Å; E122-K225 WeakPolarHBondContact OE2-CD 3.49Å; E122-K225 IonicContact OE2-NZ 2.69Å
123L84.2Confident76.8Confident9 Ų993 Ų935%0.04742%0.419CS..Hα-helixtrans-67.8-34.9176.1-90.269.6000111.9I119 D120 A125 V126 Y127 F141 T145 I151 L176 L227I119-L123 HydrophobicContact CG2-CB 3.41Å; I119-L123 VanDerWaalsContact CG2-CB 3.41Å; I119-L123 HydrophobicContact CG2-CD2 4.49Å; D120-L123 HydrophobicContact CB-CD1 4.14Å; D120-L123 PolarHBondContact O-N 2.73Å; L123-A125 PolarHBondContact O-N 3.5Å; L123-V126 PolarHBondContact O-N 3.24Å; L123-V126 VanDerWaalsContact O-N 3.16Å; L123-Y127 PolarHBondContact O-N 3.02Å; L123-F141 HydrophobicContact CB-CE1 4.47Å; L123-T145 HydrophobicContact CD2-CG2 3.91Å; L123-I151 HydrophobicContact CD1-CD1 3.53Å; L123-I151 HydrophobicContact CD1-CG1 4.18Å; L123-L176 HydrophobicContact CD1-CD1 3.68Å; L123-L176 HydrophobicContact CD1-CD2 4.31Å; L123-L227 HydrophobicContact CD1-CD1 4.14Å; L123-L227 HydrophobicContact CD2-CD1 4.17Å; L123-L227 HydrophobicContact CG-CD1 4.26Å
124R85.1Confident77.5Confident131 Ų13187.3 Ų87.349%0.49440%0.396SS..Hα-helixtrans-59.9-37.3175.6-177.9176.6-71.6-87.3-10.4111.5I119 D120 E122 Y127 K128 E138I119-R124 HydrophobicContact CG2-CB 4.29Å; D120-R124 PolarHBondContact O-N 2.88Å; D120-R124 VanDerWaalsContact O-N 3.15Å; E122-R124 VanDerWaalsContact C-N 3.34Å; E122-R124 PolarHBondContact O-N 3.26Å; R124-Y127 PolarHBondContact O-N 3.29Å; R124-K128 WeakPolarHBondContact O-CB 3.3Å; R124-K128 PolarHBondContact O-N 3.27Å; R124-E138 IonicContact NH2-OE1 3.37Å; R124-E138 PolarHBondContact NH2-OE1 3.4Å
125A86.6Confident78.6Confident42 Ų4288.7 Ų88.735%0.34741%0.408SS..Hα-helixtrans-67-37.117700000112.3R121 E122 L123 R129 N195R121-A125 PolarHBondContact O-N 2.84Å; E122-A125 WeakPolarHBondContact O-CB 3.39Å; E122-A125 PolarHBondContact O-N 3.33Å; L123-A125 PolarHBondContact O-N 3.5Å; A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.22Å; A125-N195 PolarHBondContact O-ND2 3.03Å
126V90.2Very high80Confident0 Ų080 Ų800%038%0.375CS..Hα-helixtrans-67.5-47.8174.6172.10000111E122 L123 K128 R129 M130 F131 I174 L176E122-V126 PolarHBondContact O-N 3.44Å; L123-V126 PolarHBondContact O-N 3.24Å; L123-V126 VanDerWaalsContact O-N 3.16Å; V126-K128 PolarHBondContact O-N 3.43Å; V126-R129 PolarHBondContact O-N 3.27Å; V126-M130 HydrophobicContact CG1-CG 4.46Å; V126-M130 HydrophobicContact CG1-SD 3.83Å; V126-M130 WeakPolarHBondContact O-CB 3.46Å; V126-M130 PolarHBondContact O-N 2.87Å; V126-F131 HydrophobicContact CG1-CD2 4.24Å; V126-F131 HydrophobicContact CG1-CE2 3.91Å; V126-I174 HydrophobicContact CG1-CG2 4.36Å; V126-I174 HydrophobicContact CG2-CG2 4.38Å; V126-L176 HydrophobicContact CG2-CD2 3.51Å
127Y90.3Very high81.8Confident29 Ų2982.6 Ų82.611%0.11438%0.38CS..Iπ-helixtrans-52.9-53.4175.9173.7-104.2000111.4L123 R124 R129 F131 E132 V136 E138 F141L123-Y127 PolarHBondContact O-N 3.02Å; R124-Y127 PolarHBondContact O-N 3.29Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 3.38Å; Y127-F131 HydrophobicContact CD2-CB 3.78Å; Y127-F131 HydrophobicContact CE2-CB 4.23Å; Y127-F131 PolarHBondContact O-N 3.02Å; Y127-E132 HydrophobicContact CE1-CB 4.19Å; Y127-E132 PolarHBondContact O-N 3.11Å; Y127-V136 WeakPolarHBondContact CE2-O 3.39Å; Y127-V136 PolarHBondContact OH-O 3.41Å; Y127-E138 HydrophobicContact CE1-CB 4.34Å; Y127-E138 HydrophobicContact CE1-CG 4.37Å; Y127-E138 HydrophobicContact CE2-CB 4.42Å; Y127-E138 WeakPolarHBondContact OH-CA 3.3Å; Y127-E138 PolarHBondContact OH-N 2.77Å; Y127-E138 VanDerWaalsContact OH-N 3.13Å; Y127-F141 HydrophobicContact CD2-CB 3.67Å; Y127-F141 AromaticContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD2 4.09Å; Y127-F141 HydrophobicContact CD2-CE1 4.35Å; Y127-F141 AromaticContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CE2-CB 3.9Å; Y127-F141 HydrophobicContact CE2-CG 4.28Å; Y127-F141 HydrophobicContact CG-CD1 4.04Å; Y127-F141 HydrophobicContact CG-CE1 4.38Å; Y127-F141 HydrophobicContact CG-CG 4.33Å
128K89.9Confident83.3Confident136 Ų13679.5 Ų79.559%0.59136%0.362SS*.Iπ-helixtrans-59.7-36.4-177.4-154.4-174.9180172.20113.4R124 V126 E132R124-K128 WeakPolarHBondContact O-CB 3.3Å; R124-K128 PolarHBondContact O-N 3.27Å; V126-K128 PolarHBondContact O-N 3.43Å; K128-E132 WeakPolarHBondContact CG-OE2 3.35Å
129R89.8Confident84.9Confident167 Ų16773.1 Ų73.163%0.6335%0.346SS*.Iπ-helixtrans-90.2-32.7-176.4-67-157.5-166.9135.5-11.4114.2A125 V126 Y127 N195A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.22Å; V126-R129 PolarHBondContact O-N 3.27Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; Y127-R129 PolarHBondContact O-N 3.38Å; R129-N195 VanDerWaalsContact CD-ND2 3.32Å; R129-N195 WeakPolarHBondContact CD-ND2 3.4Å; R129-N195 PolarHBondContact NH1-ND2 3.5Å; R129-N195 VanDerWaalsContact NH1-ND2 3.18Å
130M90.6Very high86.2Confident22 Ų2272.7 Ų72.711%0.10834%0.343CS..Iπ-helixtrans-107.3-40.3-171.7-62.4-178.170.500113.2V126 L134 I174 N195 F197 L251V126-M130 HydrophobicContact CG1-CG 4.46Å; V126-M130 HydrophobicContact CG1-SD 3.83Å; V126-M130 WeakPolarHBondContact O-CB 3.46Å; V126-M130 PolarHBondContact O-N 2.87Å; M130-L134 WeakPolarHBondContact O-CD1 3.42Å; M130-I174 HydrophobicContact CE-CD1 4.39Å; M130-I174 HydrophobicContact SD-CD1 4.47Å; M130-I174 HydrophobicContact SD-CG2 4.42Å; M130-N195 HydrophobicContact SD-CB 4.31Å; M130-N195 VanDerWaalsContact SD-O 3.36Å; M130-F197 HydrophobicContact CE-CD2 4.06Å; M130-F197 HydrophobicContact CE-CE2 3.51Å; M130-F197 HydrophobicContact CE-CZ 4.25Å; M130-L251 HydrophobicContact CB-CD2 4.32Å; M130-L251 HydrophobicContact CE-CD2 4.23Å
131F91.1Very high87.2Confident0 Ų069.5 Ų69.50%033%0.326CS..Iπ-helixtrans-103.6-37.9-167.7-67.8-88000112.8V126 Y127 L134 H135 V136 F141 V247 F248 L251V126-F131 HydrophobicContact CG1-CD2 4.24Å; V126-F131 HydrophobicContact CG1-CE2 3.91Å; Y127-F131 HydrophobicContact CD2-CB 3.78Å; Y127-F131 HydrophobicContact CE2-CB 4.23Å; Y127-F131 PolarHBondContact O-N 3.02Å; F131-L134 PolarHBondContact O-N 2.98Å; F131-L134 VanDerWaalsContact O-N 3.13Å; F131-H135 PolarHBondContact O-N 3.39Å; F131-V136 HydrophobicContact CB-CB 4.05Å; F131-V136 HydrophobicContact CB-CG1 4.45Å; F131-V136 HydrophobicContact CB-CG2 4.31Å; F131-V136 HydrophobicContact CD1-CB 4.5Å; F131-V136 HydrophobicContact CD1-CG1 4.41Å; F131-V136 HydrophobicContact CD1-CG2 4.18Å; F131-V136 PolarHBondContact O-N 3.03Å; F131-F141 HydrophobicContact CB-CD2 4.4Å; F131-F141 HydrophobicContact CD1-CD2 4.09Å; F131-F141 HydrophobicContact CD1-CE2 4.43Å; F131-F141 AromaticContact CD2-CD2 3.86Å; F131-F141 HydrophobicContact CD2-CD2 3.86Å; F131-F141 AromaticContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CZ 4.39Å; F131-F141 HydrophobicContact CE1-CD2 4.33Å; F131-F141 HydrophobicContact CE1-CE2 4.42Å; F131-F141 HydrophobicContact CE2-CD2 4.12Å; F131-F141 AromaticContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CZ 4.45Å; F131-F141 AromaticContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CE2 4.01Å; F131-F141 HydrophobicContact CZ-CD2 4.34Å; F131-F141 AromaticContact CZ-CE2 3.98Å; F131-F141 HydrophobicContact CZ-CE2 3.98Å; F131-V247 HydrophobicContact CD1-CG1 4.41Å; F131-F248 HydrophobicContact CE1-CD2 4.42Å; F131-F248 AromaticContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CZ 4.22Å; F131-F248 HydrophobicContact CZ-CE2 4.19Å; F131-F248 HydrophobicContact CZ-CZ 4.19Å; F131-L251 HydrophobicContact CD1-CD1 4.1Å; F131-L251 HydrophobicContact CE1-CD1 3.67Å; F131-L251 HydrophobicContact CE2-CD1 4.48Å; F131-L251 HydrophobicContact CZ-CD1 3.89Å
132E90.7Very high87.7Confident94 Ų9462.3 Ų62.344%0.43930%0.302SS..G310 helixtrans-59.6-43.6177.5-178180-136.700112.9Y127 K128 L134 H135Y127-E132 HydrophobicContact CE1-CB 4.19Å; Y127-E132 PolarHBondContact O-N 3.11Å; K128-E132 WeakPolarHBondContact CG-OE2 3.35Å; E132-L134 PolarHBondContact O-N 2.91Å; E132-L134 VanDerWaalsContact O-N 3.12Å; E132-H135 PolarHBondContact O-N 3.38Å
133P91.6Very high88Confident83 Ų8367.8 Ų67.854%0.53932%0.321SS..G310 helixtrans-63.9-19.4176.8-22.535.2000114
134L91Very high88Confident44 Ų4467.4 Ų67.423%0.2332%0.319CS..G310 helixtrans-96.111.4178.6-62175.2000112.3M130 F131 E132 V136 F243 V247 Y250 L251M130-L134 WeakPolarHBondContact O-CD1 3.42Å; F131-L134 PolarHBondContact O-N 2.98Å; F131-L134 VanDerWaalsContact O-N 3.13Å; E132-L134 PolarHBondContact O-N 2.91Å; E132-L134 VanDerWaalsContact O-N 3.12Å; L134-V136 HydrophobicContact CB-CG2 4.4Å; L134-V136 PolarHBondContact O-N 2.95Å; L134-F243 WeakPolarHBondContact O-CZ 3.4Å; L134-V247 HydrophobicContact CB-CG1 4.39Å; L134-V247 HydrophobicContact CB-CG2 4.34Å; L134-V247 HydrophobicContact CD1-CG1 3.75Å; L134-Y250 HydrophobicContact CD1-CD1 3.7Å; L134-Y250 HydrophobicContact CD1-CE1 3.96Å; L134-Y250 HydrophobicContact CD2-CD1 3.98Å; L134-Y250 HydrophobicContact CD2-CE1 3.78Å; L134-Y250 HydrophobicContact CG-CE1 4.46Å; L134-L251 HydrophobicContact CD1-CD1 4.23Å; L134-L251 HydrophobicContact CD1-CD2 3.67Å; L134-L251 HydrophobicContact CD1-CG 3.78Å
135H90.1Very high88Confident164 Ų16462 Ų6276%0.75930%0.301SS*.THydrogen-bonded Turntrans62.126.4178.6-5874.8000114.3F131 E132 Q137F131-H135 PolarHBondContact O-N 3.39Å; E132-H135 PolarHBondContact O-N 3.38Å; H135-Q137 PolarHBondContact O-N 2.77Å
136V90.1Very high87.5Confident3 Ų362.1 Ų62.12%0.01831%0.307CS..  trans-72.7122.9172.9179.60000109.4Y127 F131 L134 L140 F141 F243 L244 V247Y127-V136 WeakPolarHBondContact CE2-O 3.39Å; Y127-V136 PolarHBondContact OH-O 3.41Å; F131-V136 HydrophobicContact CB-CB 4.05Å; F131-V136 HydrophobicContact CB-CG1 4.45Å; F131-V136 HydrophobicContact CB-CG2 4.31Å; F131-V136 HydrophobicContact CD1-CB 4.5Å; F131-V136 HydrophobicContact CD1-CG1 4.41Å; F131-V136 HydrophobicContact CD1-CG2 4.18Å; F131-V136 PolarHBondContact O-N 3.03Å; L134-V136 HydrophobicContact CB-CG2 4.4Å; L134-V136 PolarHBondContact O-N 2.95Å; V136-L140 HydrophobicContact CG1-CB 4.48Å; V136-L140 HydrophobicContact CG1-CD2 4.34Å; V136-F141 HydrophobicContact CG1-CB 4.4Å; V136-F243 HydrophobicContact CB-CE1 4.44Å; V136-F243 HydrophobicContact CG2-CE1 3.9Å; V136-F243 HydrophobicContact CG2-CZ 4.18Å; V136-L244 HydrophobicContact CG1-CD1 4.26Å; V136-V247 HydrophobicContact CG2-CB 4.46Å; V136-V247 HydrophobicContact CG2-CG1 3.88Å; V136-V247 HydrophobicContact CG2-CG2 4.06Å
137Q86.7Confident86.4Confident145 Ų14567.6 Ų67.668%0.67833%0.332SS*.  trans-64140.5177.7-67.4-175.7-14.100111.8H135 A139 L140 F141H135-Q137 PolarHBondContact O-N 2.77Å; Q137-A139 PolarHBondContact O-N 2.88Å; Q137-L140 HydrophobicContact CB-CB 4.44Å; Q137-L140 WeakPolarHBondContact O-CB 2.94Å; Q137-L140 PolarHBondContact O-N 2.79Å; Q137-F141 PolarHBondContact O-N 2.89Å; Q137-F141 VanDerWaalsContact O-N 3.12Å
138E85.3Confident85.6Confident70 Ų7068.9 Ų68.933%0.32734%0.338SS..Hα-helixtrans-57.4-37.4179.9-168.517717500111.6I119 R124 Y127 L140 F141 Q142I119-E138 HydrophobicContact CD1-CG 4.25Å; R124-E138 IonicContact NH2-OE1 3.37Å; R124-E138 PolarHBondContact NH2-OE1 3.4Å; Y127-E138 HydrophobicContact CE1-CB 4.34Å; Y127-E138 HydrophobicContact CE1-CG 4.37Å; Y127-E138 HydrophobicContact CE2-CB 4.42Å; Y127-E138 WeakPolarHBondContact OH-CA 3.3Å; Y127-E138 PolarHBondContact OH-N 2.77Å; Y127-E138 VanDerWaalsContact OH-N 3.13Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.97Å; E138-F141 PolarHBondContact O-N 3.4Å; E138-Q142 HydrophobicContact CG-CG 4.5Å; E138-Q142 WeakPolarHBondContact O-CB 3.48Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 3.38Å
139A82.9Confident85.2Confident59 Ų5963.7 Ų63.749%0.48832%0.319SS..Hα-helixtrans-62.4-37.3176.500000112.9Q137 R143Q137-A139 PolarHBondContact O-N 2.88Å; A139-R143 WeakPolarHBondContact O-CG 3.31Å; A139-R143 PolarHBondContact O-N 2.96Å
140L84.9Confident84.9Confident19 Ų1959.4 Ų59.410%0.09931%0.311CS..Hα-helixtrans-71.1-44.2178.1-174.663000110.8V136 Q137 E138 Q142 R143 L144 F237 D241 F243 L244V136-L140 HydrophobicContact CG1-CB 4.48Å; V136-L140 HydrophobicContact CG1-CD2 4.34Å; Q137-L140 HydrophobicContact CB-CB 4.44Å; Q137-L140 WeakPolarHBondContact O-CB 2.94Å; Q137-L140 PolarHBondContact O-N 2.79Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 2.97Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.23Å; L140-R143 PolarHBondContact O-N 3.38Å; L140-L144 PolarHBondContact O-N 2.93Å; L140-F237 HydrophobicContact CD1-CZ 4.24Å; L140-D241 VanDerWaalsContact CD1-OD2 3.32Å; L140-D241 WeakPolarHBondContact CD1-OD2 3.43Å; L140-D241 WeakPolarHBondContact CD2-OD2 3.42Å; L140-F243 HydrophobicContact CD2-CD1 4.3Å; L140-L244 HydrophobicContact CD2-CB 4.26Å; L140-L244 HydrophobicContact CD2-CD1 4.23Å; L140-L244 HydrophobicContact CD2-CD2 4.45Å; L140-L244 HydrophobicContact CG-CD2 4.35Å
141F87.8Confident84.8Confident0 Ų062 Ų620%033%0.325CS..Hα-helixtrans-62.1-37.7174.4-177.3-100.9000112.3L123 Y127 F131 V136 Q137 E138 L144 T145L123-F141 HydrophobicContact CB-CE1 4.47Å; Y127-F141 HydrophobicContact CD2-CB 3.67Å; Y127-F141 AromaticContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD1 3.68Å; Y127-F141 HydrophobicContact CD2-CD2 4.09Å; Y127-F141 HydrophobicContact CD2-CE1 4.35Å; Y127-F141 AromaticContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CD2-CG 3.53Å; Y127-F141 HydrophobicContact CE2-CB 3.9Å; Y127-F141 HydrophobicContact CE2-CG 4.28Å; Y127-F141 HydrophobicContact CG-CD1 4.04Å; Y127-F141 HydrophobicContact CG-CE1 4.38Å; Y127-F141 HydrophobicContact CG-CG 4.33Å; F131-F141 HydrophobicContact CB-CD2 4.4Å; F131-F141 HydrophobicContact CD1-CD2 4.09Å; F131-F141 HydrophobicContact CD1-CE2 4.43Å; F131-F141 AromaticContact CD2-CD2 3.86Å; F131-F141 HydrophobicContact CD2-CD2 3.86Å; F131-F141 AromaticContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CE2 3.51Å; F131-F141 HydrophobicContact CD2-CZ 4.39Å; F131-F141 HydrophobicContact CE1-CD2 4.33Å; F131-F141 HydrophobicContact CE1-CE2 4.42Å; F131-F141 HydrophobicContact CE2-CD2 4.12Å; F131-F141 AromaticContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CE2 3.51Å; F131-F141 HydrophobicContact CE2-CZ 4.45Å; F131-F141 AromaticContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CD2 3.84Å; F131-F141 HydrophobicContact CG-CE2 4.01Å; F131-F141 HydrophobicContact CZ-CD2 4.34Å; F131-F141 AromaticContact CZ-CE2 3.98Å; F131-F141 HydrophobicContact CZ-CE2 3.98Å; V136-F141 HydrophobicContact CG1-CB 4.4Å; Q137-F141 PolarHBondContact O-N 2.89Å; Q137-F141 VanDerWaalsContact O-N 3.12Å; E138-F141 PolarHBondContact O-N 3.4Å; F141-L144 HydrophobicContact CD2-CD2 4.36Å; F141-L144 PolarHBondContact O-N 3.5Å; F141-T145 HydrophobicContact CD1-CG2 4.38Å; F141-T145 HydrophobicContact CD2-CG2 4.4Å; F141-T145 HydrophobicContact CE1-CG2 3.9Å; F141-T145 HydrophobicContact CE2-CG2 3.92Å; F141-T145 HydrophobicContact CZ-CG2 3.65Å; F141-T145 PolarHBondContact O-N 3.47Å; F141-T145 PolarHBondContact O-OG1 3.5Å
142Q84.4Confident84.7Confident62 Ų6265.6 Ų65.629%0.2934%0.342SS..Hα-helixtrans-63.6-41173.4-77.5179.115.200112.3I119 E138 L140 G146I119-Q142 HydrophobicContact CD1-CG 3.48Å; I119-Q142 VanDerWaalsContact CD1-CG 3.48Å; I119-Q142 HydrophobicContact CG1-CG 3.81Å; E138-Q142 HydrophobicContact CG-CG 4.5Å; E138-Q142 WeakPolarHBondContact O-CB 3.48Å; E138-Q142 VanDerWaalsContact O-CG 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.47Å; E138-Q142 PolarHBondContact O-N 3.38Å; L140-Q142 VanDerWaalsContact C-N 3.3Å; L140-Q142 PolarHBondContact O-N 3.23Å; Q142-G146 WeakPolarHBondContact O-CA 3.2Å; Q142-G146 PolarHBondContact O-N 3.48Å
143R84.4Confident84.8Confident144 Ų14465.9 Ų65.954%0.54335%0.35SS..Hα-helixtrans-63.2-46.5175.4-73.7175.366.3-162.9-2111.5A139 L140 T145 G146 Q147 F237A139-R143 WeakPolarHBondContact O-CG 3.31Å; A139-R143 PolarHBondContact O-N 2.96Å; L140-R143 PolarHBondContact O-N 3.38Å; R143-T145 PolarHBondContact O-N 3.45Å; R143-G146 PolarHBondContact O-N 2.87Å; R143-Q147 PolarHBondContact O-N 3.36Å; R143-F237 HydrophobicContact CB-CZ 4.2Å
144L85.1Confident84.9Confident1 Ų163 Ų631%0.00533%0.33CS..Hα-helixtrans-58-44.6177.7174.670.9000112.5L140 F141 W229 L234 F237 L244 F248L140-L144 PolarHBondContact O-N 2.93Å; F141-L144 HydrophobicContact CD2-CD2 4.36Å; F141-L144 PolarHBondContact O-N 3.5Å; L144-W229 HydrophobicContact CD2-CZ2 4.12Å; L144-W229 HydrophobicContact CG-CZ2 4.25Å; L144-W229 PolarHBondContact O-NE1 2.86Å; L144-L234 HydrophobicContact CD1-CD1 3.67Å; L144-F237 HydrophobicContact CB-CE1 3.92Å; L144-F237 HydrophobicContact CB-CZ 4.49Å; L144-F237 HydrophobicContact CD1-CD1 3.66Å; L144-F237 HydrophobicContact CD1-CE1 3.85Å; L144-F237 HydrophobicContact CG-CE1 4.5Å; L144-L244 HydrophobicContact CD1-CD2 4.26Å; L144-L244 HydrophobicContact CD2-CD2 4.34Å; L144-F248 HydrophobicContact CD1-CZ 4.46Å; L144-F248 HydrophobicContact CD2-CE2 3.64Å; L144-F248 HydrophobicContact CD2-CZ 3.75Å
145T84.4Confident85.1Confident17 Ų1767.7 Ų67.710%0.10435%0.349CS..Hα-helixtrans-85.8-22.8-177.753.10000113.3L123 F141 R143 C149 L227 W229L123-T145 HydrophobicContact CD2-CG2 3.91Å; F141-T145 HydrophobicContact CD1-CG2 4.38Å; F141-T145 HydrophobicContact CD2-CG2 4.4Å; F141-T145 HydrophobicContact CE1-CG2 3.9Å; F141-T145 HydrophobicContact CE2-CG2 3.92Å; F141-T145 HydrophobicContact CZ-CG2 3.65Å; F141-T145 PolarHBondContact O-N 3.47Å; F141-T145 PolarHBondContact O-OG1 3.5Å; R143-T145 PolarHBondContact O-N 3.45Å; T145-C149 WeakPolarHBondContact O-CB 3.3Å; T145-L227 HydrophobicContact CG2-CD2 4.26Å; T145-W229 HydrophobicContact CG2-CZ2 4.19Å
146G76.5Confident85.4Confident46 Ų4667.2 Ų67.247%0.47434%0.344SS..Hα-helixtrans-83.6-32-176.500000115.1Q142 R143Q142-G146 WeakPolarHBondContact O-CA 3.2Å; Q142-G146 PolarHBondContact O-N 3.48Å; R143-G146 PolarHBondContact O-N 2.87Å
147Q67.9Low85.5Confident115 Ų11569.8 Ų69.854%0.53737%0.371SS..Hα-helixtrans-98.2-30.7-171.9-67.1-173.7-49.800114.3R143R143-Q147 PolarHBondContact O-N 3.36Å
148F72.1Confident85.9Confident56 Ų5667.2 Ų67.225%0.24636%0.359CS..SBendtrans-13415.6-164.9-50.3-59.4000113.9R233 F237F148-R233 HydrophobicContact CB-CB 3.97Å; F148-R233 HydrophobicContact CD1-CB 3.99Å; F148-R233 HydrophobicContact CD1-CG 4.28Å; F148-R233 HydrophobicContact CG-CB 4.04Å; F148-F237 HydrophobicContact CD2-CB 4.5Å; F148-F237 HydrophobicContact CD2-CD2 4.31Å; F148-F237 HydrophobicContact CD2-CG 4.5Å; F148-F237 HydrophobicContact CE2-CB 4.49Å; F148-F237 AromaticContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CE2 4.43Å; F148-F237 HydrophobicContact CE2-CG 4.39Å
149C81.8Confident86.3Confident27 Ų2766.5 Ų66.518%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-121.9142.7-172.3-151.90000112.6T145 L227 C228 W229T145-C149 WeakPolarHBondContact O-CB 3.3Å; C149-L227 HydrophobicContact CB-CD1 4.25Å; C149-L227 WeakPolarHBondContact SG-CD1 3.28Å; C149-L227 WeakPolarHBondContact SG-CG 3.4Å; C149-C228 PolarHBondContact SG-O 3.2Å; C149-C228 VanDerWaalsContact SG-O 3.37Å; C149-W229 VanDerWaalsContact SG-CD1 3.5Å; C149-W229 VanDerWaalsContact SG-CE2 3.58Å; C149-W229 PolarHBondContact SG-NE1 3.5Å
150T84.6Confident86.8Confident77 Ų7764.1 Ų64.147%0.47234%0.344SS..EExtended strand (participates in β ladder)trans-123137.3175.558.30000109.5C228T150-C228 PolarHBondContact N-O 3.08Å; T150-C228 PolarHBondContact O-N 3.06Å; T150-C228 PolarHBondContact OG1-O 3.45Å
151I88.1Confident87.1Confident77 Ų7763.3 Ų63.340%0.39534%0.339SS..EExtended strand (participates in β ladder)trans-97.1121.5173.1-59.4172.6000107.3D120 L123 L176 L227D120-I151 HydrophobicContact CB-CD1 4.38Å; L123-I151 HydrophobicContact CD1-CD1 3.53Å; L123-I151 HydrophobicContact CD1-CG1 4.18Å; I151-L176 HydrophobicContact CG2-CD1 4.15Å; I151-L227 HydrophobicContact CG1-CD1 4Å
152Q89.4Confident87.2Confident74 Ų7464.5 Ų64.535%0.34635%0.349SS..EExtended strand (participates in β ladder)trans-117.2153.4179.7-65.6-173.453.300110.7K225 F226Q152-K225 WeakPolarHBondContact O-CA 3.41Å; Q152-F226 HydrophobicContact CB-CD1 4.47Å; Q152-F226 HydrophobicContact CB-CD2 4.34Å; Q152-F226 HydrophobicContact CB-CE1 3.86Å; Q152-F226 HydrophobicContact CB-CE2 3.71Å; Q152-F226 HydrophobicContact CB-CZ 3.44Å; Q152-F226 VanDerWaalsContact CB-CZ 3.44Å; Q152-F226 HydrophobicContact CG-CE2 4.36Å; Q152-F226 HydrophobicContact CG-CZ 4.35Å; Q152-F226 PolarHBondContact N-O 2.79Å; Q152-F226 PolarHBondContact O-N 3.49Å
153T91.8Very high87.4Confident100 Ų10063.2 Ų63.261%0.61334%0.343SS*.EExtended strand (participates in β ladder)trans-122.7134.8-17866.70000110.1C224 K225T153-C224 CarbonylContact C-O 3.45Å; T153-C224 WeakPolarHBondContact CA-O 3.29Å; T153-K225 HydrophobicContact CG2-CD 4.35Å; T153-K225 HydrophobicContact CG2-CG 3.82Å
154L93.9Very high87.3Confident23 Ų2361.1 Ų61.112%0.1234%0.343CS..EExtended strand (participates in β ladder)trans-123.5127.8-179.1-163.164000109.1Q158 M180 A220 N223 C224 F226L154-Q158 HydrophobicContact CD1-CB 3.45Å; L154-Q158 VanDerWaalsContact CD1-CB 3.45Å; L154-Q158 HydrophobicContact CD1-CG 4.45Å; L154-Q158 HydrophobicContact CG-CB 3.77Å; L154-M180 HydrophobicContact CD2-CE 4.15Å; L154-A220 HydrophobicContact CB-CB 4.41Å; L154-A220 HydrophobicContact CD2-CB 3.8Å; L154-A220 HydrophobicContact CG-CB 3.95Å; L154-N223 CarbonylContact O-C 3.55Å; L154-C224 HydrophobicContact CB-CB 4.3Å; L154-C224 PolarHBondContact N-O 3.48Å; L154-C224 PolarHBondContact O-N 3.32Å; L154-F226 HydrophobicContact CB-CE1 4.17Å
155K95.6Very high87.3Confident143 Ų14369.1 Ų69.162%0.62238%0.378SS*.  trans-77.5155.4177.9-64.2-178.7-179.4177.90110.4G157 Q158 A220K155-G157 PolarHBondContact O-N 3.4Å; K155-Q158 HydrophobicContact CB-CG 4.21Å; K155-Q158 WeakPolarHBondContact O-CB 3.38Å; K155-Q158 PolarHBondContact O-N 3.16Å; K155-A220 WeakPolarHBondContact O-CB 3.46Å
156K95.9Very high87.4Confident154 Ų15470.2 Ų70.267%0.6738%0.384SS*.THydrogen-bonded Turntrans-49.7130.8172176.2168.5-175.51760111.1Q158 E221 N223K156-Q158 VanDerWaalsContact C-N 3.32Å; K156-E221 WeakPolarHBondContact CD-O 3.37Å; K156-E221 WeakPolarHBondContact CE-O 3.45Å; K156-E221 VanDerWaalsContact CG-O 3.24Å; K156-E221 WeakPolarHBondContact CG-O 3.46Å; K156-N223 PolarHBondContact N-OD1 3.26Å; K156-N223 VanDerWaalsContact N-OD1 3.1Å
157G92.9Very high87.6Confident57 Ų5770.1 Ų70.159%0.58838%0.376SS*.THydrogen-bonded Turntrans86.1-10.3-18000000115.1K155 A220K155-G157 PolarHBondContact O-N 3.4Å; G157-A220 PolarHBondContact N-O 3.43Å
158Q94.9Very high88Confident91 Ų9164.9 Ų64.943%0.42535%0.352SS..  trans-78.4142.5174.7-66-175.8-41.600111.1L154 K155 K156 A220L154-Q158 HydrophobicContact CD1-CB 3.45Å; L154-Q158 VanDerWaalsContact CD1-CB 3.45Å; L154-Q158 HydrophobicContact CD1-CG 4.45Å; L154-Q158 HydrophobicContact CG-CB 3.77Å; K155-Q158 HydrophobicContact CB-CG 4.21Å; K155-Q158 WeakPolarHBondContact O-CB 3.38Å; K155-Q158 PolarHBondContact O-N 3.16Å; K156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-A220 PolarHBondContact O-N 3.46Å
159A92.8Very high87.8Confident54 Ų5463.3 Ų63.345%0.44635%0.347SS..EExtended strand (participates in β ladder)trans-83.1130.3177.100000110.8I218 V219A159-I218 CarbonylContact C-O 3.56Å; A159-I218 WeakPolarHBondContact CA-O 3.4Å; A159-V219 HydrophobicContact CB-CG2 4.35Å
160Y93.1Very high87.4Confident10 Ų1068 Ų684%0.03937%0.366CS..EExtended strand (participates in β ladder)trans-75.4-43.8167.3171.6-95.5000110.5R171 S173 I198 D199 F214 I218 F226Y160-R171 VanDerWaalsContact CE2-NH2 3.29Å; Y160-R171 PolarHBondContact O-NH2 3.32Å; Y160-R171 VanDerWaalsContact O-NH2 3.14Å; Y160-R171 PolarHBondContact OH-NE 3.12Å; Y160-S173 WeakPolarHBondContact OH-CB 3.47Å; Y160-S173 PolarHBondContact OH-OG 3.2Å; Y160-I198 HydrophobicContact CD1-CG2 3.6Å; Y160-I198 HydrophobicContact CE1-CB 4.38Å; Y160-I198 HydrophobicContact CE1-CG2 3.5Å; Y160-I198 VanDerWaalsContact CE1-CG2 3.5Å; Y160-I198 HydrophobicContact CE2-CD1 4.31Å; Y160-I198 HydrophobicContact CE2-CG2 4.48Å; Y160-I198 HydrophobicContact CG-CG2 4.16Å; Y160-D199 PolarHBondContact OH-OD2 3.42Å; Y160-F214 HydrophobicContact CE1-CE1 4.49Å; Y160-F214 HydrophobicContact CE1-CZ 4.15Å; Y160-I218 HydrophobicContact CD1-CB 4.34Å; Y160-I218 HydrophobicContact CD1-CD1 4.19Å; Y160-I218 HydrophobicContact CD1-CG2 4.41Å; Y160-I218 PolarHBondContact N-O 2.88Å; Y160-F226 HydrophobicContact CD2-CE1 4.13Å; Y160-F226 HydrophobicContact CD2-CE2 4.11Å; Y160-F226 AromaticContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CE2-CD2 4.07Å; Y160-F226 HydrophobicContact CE2-CE1 4.44Å; Y160-F226 AromaticContact CE2-CE2 3.6Å; Y160-F226 HydrophobicContact CE2-CE2 3.6Å; Y160-F226 AromaticContact CE2-CZ 3.81Å; Y160-F226 HydrophobicContact CE2-CZ 3.81Å
161A92.2Very high87.6Confident1 Ų166.9 Ų66.91%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-143.4141.1176.200000109T166 F214 T217 I218A161-T166 HydrophobicContact CB-CG2 4.19Å; A161-F214 HydrophobicContact CB-CB 4.13Å; A161-F214 HydrophobicContact CB-CD1 3.58Å; A161-F214 HydrophobicContact CB-CD2 3.77Å; A161-F214 HydrophobicContact CB-CE1 3.84Å; A161-F214 HydrophobicContact CB-CE2 4.02Å; A161-F214 HydrophobicContact CB-CG 3.54Å; A161-F214 HydrophobicContact CB-CZ 4.06Å; A161-T217 WeakPolarHBondContact O-CA 3.28Å; A161-I218 PolarHBondContact N-O 3.17Å; A161-I218 PolarHBondContact O-N 2.87Å
162A90.4Very high87.8Confident25 Ų2563.2 Ų63.221%0.20733%0.334CS..  trans-112.3136173.800000109.6D164 K165 T166A162-D164 PolarHBondContact O-N 3Å; A162-K165 HydrophobicContact CB-CB 4.04Å; A162-K165 HydrophobicContact CB-CD 4.13Å; A162-K165 PolarHBondContact O-N 3.06Å; A162-K165 VanDerWaalsContact O-N 3.17Å; A162-T166 PolarHBondContact N-OG1 3.42Å; A162-T166 PolarHBondContact O-N 3.42Å; A162-T166 VanDerWaalsContact O-N 3.12Å
163E87Confident88Confident35 Ų3559.7 Ų59.716%0.16432%0.317CS..THydrogen-bonded Turntrans-52132.3177.7-178173.3170.500110.7K165 R185 F214 Q215 T217E163-K165 PolarHBondContact O-N 2.96Å; E163-R185 WeakPolarHBondContact OE1-CG 3.15Å; E163-R185 PolarHBondContact OE2-N 3.45Å; E163-F214 CarbonylContact C-O 3.58Å; E163-F214 VanDerWaalsContact CA-O 3.29Å; E163-F214 WeakPolarHBondContact CA-O 3.31Å; E163-Q215 WeakPolarHBondContact CG-O 3.32Å; E163-T217 VanDerWaalsContact CB-OG1 3.23Å; E163-T217 WeakPolarHBondContact CB-OG1 3.32Å; E163-T217 PolarHBondContact N-OG1 2.89Å; E163-T217 VanDerWaalsContact N-OG1 3.09Å
164D83.8Confident88.1Confident100 Ų10054.9 Ų54.954%0.53529%0.288SS..THydrogen-bonded Turntrans56.612.1179.6-59.3-38.5000116.2A162 K213 F214A162-D164 PolarHBondContact O-N 3Å; D164-K213 VanDerWaalsContact C-CD 3.4Å; D164-K213 WeakPolarHBondContact O-CD 3.4Å; D164-K213 PolarHBondContact O-NZ 3.33Å; D164-K213 VanDerWaalsContact O-NZ 3.11Å; D164-F214 PolarHBondContact N-O 3.18Å
165K85.1Confident88.1Confident170 Ų17053.8 Ų53.874%0.73928%0.282SS*.THydrogen-bonded Turntrans-117.8-47.9-179.4-68.6-179.3-176.3-179.10112.7A162 E163A162-K165 HydrophobicContact CB-CB 4.04Å; A162-K165 HydrophobicContact CB-CD 4.13Å; A162-K165 PolarHBondContact O-N 3.06Å; A162-K165 VanDerWaalsContact O-N 3.17Å; E163-K165 PolarHBondContact O-N 2.96Å
166T84.8Confident88Confident40 Ų4047.5 Ų47.525%0.24526%0.256CS..SBendtrans-84.4131.8-176.3-530000110.2A161 A162 K213 F214A161-T166 HydrophobicContact CB-CG2 4.19Å; A162-T166 PolarHBondContact N-OG1 3.42Å; A162-T166 PolarHBondContact O-N 3.42Å; A162-T166 VanDerWaalsContact O-N 3.12Å; T166-K213 CarbonylContact O-C 3.44Å; T166-K213 VanDerWaalsContact O-CA 3.24Å; T166-K213 WeakPolarHBondContact O-CA 3.48Å; T166-K213 WeakPolarHBondContact O-CB 3.48Å; T166-F214 HydrophobicContact CG2-CD2 3.87Å; T166-F214 HydrophobicContact CG2-CE2 4.07Å; T166-F214 WeakPolarHBondContact O-CD2 3.4Å; T166-F214 PolarHBondContact O-N 2.99Å
167S81.5Confident87.8Confident43 Ų4345.9 Ų45.930%0.30125%0.248SC..BIsolated β-bridgetrans-68.6140.9171.841.10000111E170 F214S167-E170 VanDerWaalsContact OG-CD 3.29Å; S167-E170 PolarHBondContact OG-OE1 3.38Å; S167-F214 WeakPolarHBondContact O-CE2 3.38Å
168V77.4Confident87.8Confident6 Ų643.6 Ų43.64%0.03623%0.225CC..SBendtrans-86.4-26.1179.5166.80000112.5E170 E202 T206 E212 K213 F214 R231V168-E170 PolarHBondContact O-N 2.72Å; V168-E202 HydrophobicContact CG1-CB 3.53Å; V168-E202 HydrophobicContact CG1-CG 4.24Å; V168-E202 HydrophobicContact CG2-CB 4.26Å; V168-E202 HydrophobicContact CG2-CG 4.05Å; V168-T206 HydrophobicContact CB-CG2 4.01Å; V168-T206 HydrophobicContact CG1-CG2 3.36Å; V168-T206 WeakPolarHBondContact CG1-OG1 3.26Å; V168-E212 WeakPolarHBondContact CB-O 3.49Å; V168-E212 PolarHBondContact N-O 3.47Å; V168-K213 VanDerWaalsContact CG2-C 3.44Å; V168-F214 HydrophobicContact CB-CE2 4.43Å; V168-F214 HydrophobicContact CG2-CB 4.48Å; V168-F214 HydrophobicContact CG2-CD2 3.6Å; V168-F214 HydrophobicContact CG2-CE2 3.89Å; V168-F214 HydrophobicContact CG2-CG 3.99Å; V168-F214 HydrophobicContact CG2-CZ 4.49Å; V168-R231 PolarHBondContact O-NH2 3.26Å
169D67.4Low87.8Confident23 Ų2341.1 Ų41.112%0.12321%0.213CC..THydrogen-bonded Turntrans-72.3-9.5-163.1-66.4-6000114.4H209 R210 G211 R231D169-H209 PolarHBondContact OD2-N 3.2Å; D169-R210 PolarHBondContact OD2-N 3.44Å; D169-G211 PolarHBondContact OD2-N 2.92Å; D169-R231 WeakPolarHBondContact O-CB 3.14Å; D169-R231 VanDerWaalsContact O-CD 3.31Å; D169-R231 WeakPolarHBondContact O-CD 3.25Å; D169-R231 PolarHBondContact O-NE 2.75Å
170E73.7Confident87.9Confident125 Ų12538.5 Ų38.558%0.58419%0.192SC*.THydrogen-bonded Turntrans-87.2-32.8-162.4-64.1-178.6-168.200114.7S167 V168 R231S167-E170 VanDerWaalsContact OG-CD 3.29Å; S167-E170 PolarHBondContact OG-OE1 3.38Å; V168-E170 PolarHBondContact O-N 2.72Å; E170-R231 PolarHBondContact O-N 2.87Å; E170-R231 VanDerWaalsContact O-N 3.11Å
171R87.9Confident88Confident53 Ų5342.1 Ų42.120%0.221%0.208CC..EExtended strand (participates in β ladder)trans-152.5160.4-165.360.4-177.3-180-165.53.9115.5Y160 C228 W229Y160-R171 VanDerWaalsContact CE2-NH2 3.29Å; Y160-R171 PolarHBondContact O-NH2 3.32Å; Y160-R171 VanDerWaalsContact O-NH2 3.14Å; Y160-R171 PolarHBondContact OH-NE 3.12Å; R171-C228 WeakPolarHBondContact CD-SG 3.4Å; R171-W229 CarbonylContact C-O 3.52Å; R171-W229 WeakPolarHBondContact CA-O 3.12Å; R171-W229 VanDerWaalsContact CB-O 3.25Å; R171-W229 WeakPolarHBondContact CB-O 3.46Å
172L91.8Very high88Confident0 Ų042.3 Ų42.30%021%0.208CC..EExtended strand (participates in β ladder)trans-123.6132.5163.6-179.469.4000108.4F197 D199 F203 W229 L234 F248 I252L172-F197 HydrophobicContact CD1-CD1 3.72Å; L172-F197 HydrophobicContact CD1-CE1 4.1Å; L172-F197 HydrophobicContact CD2-CD1 4.22Å; L172-F197 HydrophobicContact CD2-CE1 3.74Å; L172-F197 HydrophobicContact CG-CD1 3.98Å; L172-F197 HydrophobicContact CG-CE1 3.97Å; L172-D199 WeakPolarHBondContact CA-OD1 3.27Å; L172-F203 HydrophobicContact CB-CD2 3.72Å; L172-F203 HydrophobicContact CB-CE2 3.97Å; L172-F203 HydrophobicContact CB-CG 4.3Å; L172-F203 HydrophobicContact CD1-CB 3.62Å; L172-F203 HydrophobicContact CD1-CD1 4.24Å; L172-F203 HydrophobicContact CD1-CD2 4.03Å; L172-F203 HydrophobicContact CD1-CG 3.71Å; L172-F203 HydrophobicContact CD2-CD1 4.38Å; L172-F203 HydrophobicContact CD2-CD2 4.37Å; L172-F203 HydrophobicContact CD2-CE1 4.37Å; L172-F203 HydrophobicContact CD2-CE2 4.34Å; L172-F203 HydrophobicContact CD2-CG 4.38Å; L172-F203 HydrophobicContact CD2-CZ 4.35Å; L172-F203 HydrophobicContact CG-CD2 4.25Å; L172-F203 HydrophobicContact CG-CG 4.35Å; L172-W229 PolarHBondContact N-O 3.19Å; L172-W229 PolarHBondContact O-N 3.47Å; L172-L234 HydrophobicContact CB-CD2 4.01Å; L172-L234 HydrophobicContact CD2-CD2 3.47Å; L172-L234 VanDerWaalsContact CD2-CD2 3.47Å; L172-L234 HydrophobicContact CG-CD2 4.35Å; L172-F248 HydrophobicContact CD2-CD1 4.29Å; L172-F248 HydrophobicContact CD2-CE1 4.05Å; L172-I252 HydrophobicContact CD2-CD1 4.29Å
173S93.7Very high87.9Confident0 Ų041.9 Ų41.90%020%0.204CC..EExtended strand (participates in β ladder)trans-133.2145.6-173.8-58.10000114.2Y160 F197 I198 D199 L227Y160-S173 WeakPolarHBondContact OH-CB 3.47Å; Y160-S173 PolarHBondContact OH-OG 3.2Å; S173-F197 WeakPolarHBondContact O-CA 3.49Å; S173-I198 PolarHBondContact O-N 3.48Å; S173-D199 PolarHBondContact N-OD1 3.27Å; S173-D199 PolarHBondContact N-OD2 3.48Å; S173-L227 CarbonylContact C-O 3.56Å; S173-L227 WeakPolarHBondContact CA-O 3.32Å; S173-L227 VanDerWaalsContact CB-O 3.23Å; S173-L227 WeakPolarHBondContact CB-O 3.4Å
174I94.4Very high88Confident0 Ų044.2 Ų44.20%021%0.212CC..EExtended strand (participates in β ladder)trans-119.4131.7174-64.6174.4000109.6V126 M130 L176 F197 F226 L227 W229V126-I174 HydrophobicContact CG1-CG2 4.36Å; V126-I174 HydrophobicContact CG2-CG2 4.38Å; M130-I174 HydrophobicContact CE-CD1 4.39Å; M130-I174 HydrophobicContact SD-CD1 4.47Å; M130-I174 HydrophobicContact SD-CG2 4.42Å; I174-L176 PolarHBondContact O-N 2.98Å; I174-F197 HydrophobicContact CD1-CD1 4.12Å; I174-F197 HydrophobicContact CD1-CE1 3.55Å; I174-F197 HydrophobicContact CD1-CE2 4.28Å; I174-F197 HydrophobicContact CD1-CZ 3.65Å; I174-F197 HydrophobicContact CG1-CD1 3.45Å; I174-F197 VanDerWaalsContact CG1-CD1 3.45Å; I174-F197 HydrophobicContact CG1-CD2 4.48Å; I174-F197 HydrophobicContact CG1-CE1 3.41Å; I174-F197 VanDerWaalsContact CG1-CE1 3.41Å; I174-F197 HydrophobicContact CG1-CE2 4.44Å; I174-F197 HydrophobicContact CG1-CG 4.02Å; I174-F197 HydrophobicContact CG1-CZ 3.94Å; I174-F226 CarbonylContact O-C 3.4Å; I174-F226 VanDerWaalsContact O-CA 3.26Å; I174-F226 WeakPolarHBondContact O-CA 3.4Å; I174-F226 WeakPolarHBondContact O-CB 3.48Å; I174-L227 HydrophobicContact CB-CB 4.42Å; I174-L227 PolarHBondContact N-O 2.98Å; I174-L227 PolarHBondContact O-N 3.28Å; I174-W229 HydrophobicContact CD1-CH2 3.58Å; I174-W229 HydrophobicContact CD1-CZ3 3.55Å; I174-W229 HydrophobicContact CG1-CH2 4.31Å; I174-W229 HydrophobicContact CG1-CZ3 3.82Å
175L94.5Very high88.1Confident0 Ų047.9 Ų47.90%022%0.218CC..EExtended strand (participates in β ladder)trans-73.8117.3176.3-171.359.4000110.5K177 M180 I192 N195 S196 I198 C224 F226L175-K177 WeakPolarHBondContact CD1-O 3.39Å; L175-M180 HydrophobicContact CD1-CE 3.67Å; L175-M180 HydrophobicContact CD1-CG 4.33Å; L175-M180 HydrophobicContact CD1-SD 4.07Å; L175-M180 HydrophobicContact CD2-CG 4.16Å; L175-M180 HydrophobicContact CD2-SD 4.45Å; L175-I192 HydrophobicContact CB-CG2 4.5Å; L175-I192 HydrophobicContact CD2-CG2 4.11Å; L175-I192 WeakPolarHBondContact CD2-O 3.46Å; L175-N195 PolarHBondContact O-N 3.48Å; L175-S196 PolarHBondContact N-O 3.42Å; L175-I198 HydrophobicContact CB-CD1 4.29Å; L175-I198 HydrophobicContact CB-CG1 4.16Å; L175-C224 HydrophobicContact CD1-CB 3.95Å; L175-F226 HydrophobicContact CD1-CB 4.36Å
176L92.6Very high88Confident11 Ų1142.9 Ų42.96%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-87.7-42.9179.4-59178.8000111.7E122 L123 V126 I151 I174 K225 L227E122-L176 HydrophobicContact CB-CB 4.26Å; E122-L176 HydrophobicContact CB-CD1 4.36Å; L123-L176 HydrophobicContact CD1-CD1 3.68Å; L123-L176 HydrophobicContact CD1-CD2 4.31Å; V126-L176 HydrophobicContact CG2-CD2 3.51Å; I151-L176 HydrophobicContact CG2-CD1 4.15Å; I174-L176 PolarHBondContact O-N 2.98Å; L176-K225 WeakPolarHBondContact CA-O 3.39Å; L176-K225 HydrophobicContact CB-CB 4.45Å; L176-K225 WeakPolarHBondContact CB-O 3.21Å; L176-K225 PolarHBondContact N-O 3.27Å; L176-L227 HydrophobicContact CD1-CB 4.19Å; L176-L227 HydrophobicContact CD2-CB 3.98Å; L176-L227 HydrophobicContact CG-CB 4.09Å
177K92.4Very high88.1Confident119 Ų11947.6 Ų47.652%0.51723%0.234SC..EExtended strand (participates in β ladder)trans-145.8147.6-176.5-170.2179.4177.9-1760110.6L175 C224 K225L175-K177 WeakPolarHBondContact CD1-O 3.39Å; K177-C224 CarbonylContact O-C 3.54Å; K177-C224 WeakPolarHBondContact O-CA 3.32Å; K177-K225 HydrophobicContact CB-CB 4.21Å; K177-K225 PolarHBondContact N-O 2.96Å; K177-K225 PolarHBondContact O-N 2.83Å
178G92.6Very high88.4Confident10 Ų1050.1 Ų50.110%0.10324%0.24CC..SBendtrans93.6-162.8176.100000112.1T194G178-T194 WeakPolarHBondContact O-CG2 3.48Å
179K94.4Very high88.9Confident38 Ų3852.6 Ų52.617%0.16525%0.253CS..  trans-143.1136.5-176.2-173.3180172.4-144.20109.8N191 Y193 E221 E222 C224K179-N191 VanDerWaalsContact CE-ND2 3.29Å; K179-N191 WeakPolarHBondContact CE-ND2 3.44Å; K179-N191 HydrophobicContact CG-CB 4.47Å; K179-N191 PolarHBondContact NZ-ND2 3.31Å; K179-Y193 HydrophobicContact CD-CD1 4.22Å; K179-Y193 HydrophobicContact CD-CE1 3.75Å; K179-Y193 HydrophobicContact CG-CD1 4.14Å; K179-Y193 HydrophobicContact CG-CE1 4.1Å; K179-E221 WeakPolarHBondContact CD-OE2 3.48Å; K179-E221 WeakPolarHBondContact CE-OE2 3.45Å; K179-E221 IonicContact NZ-OE1 3.45Å; K179-E221 IonicContact NZ-OE2 2.78Å; K179-E221 PolarHBondContact NZ-OE2 2.88Å; K179-E221 WeakPolarHBondContact O-CB 3.47Å; K179-E221 PolarHBondContact O-N 2.99Å; K179-E222 HydrophobicContact CB-CG 4.38Å; K179-E222 PolarHBondContact O-N 3.28Å; K179-C224 PolarHBondContact N-SG 3.47Å; K179-C224 VanDerWaalsContact N-SG 3.44Å; K179-C224 PolarHBondContact O-SG 3.39Å
180M95.8Very high90Very high0 Ų052.4 Ų52.40%025%0.251CS..EExtended strand (participates in β ladder)trans-118.3147.6177-63.8176.7171.100110.3L154 L175 N191 I192 I198 I218 V219 C224 F226L154-M180 HydrophobicContact CD2-CE 4.15Å; L175-M180 HydrophobicContact CD1-CE 3.67Å; L175-M180 HydrophobicContact CD1-CG 4.33Å; L175-M180 HydrophobicContact CD1-SD 4.07Å; L175-M180 HydrophobicContact CD2-CG 4.16Å; L175-M180 HydrophobicContact CD2-SD 4.45Å; M180-N191 CarbonylContact O-C 3.58Å; M180-N191 VanDerWaalsContact O-CA 3.29Å; M180-N191 WeakPolarHBondContact O-CA 3.45Å; M180-I192 HydrophobicContact CB-CB 4.27Å; M180-I192 PolarHBondContact N-O 2.88Å; M180-I192 PolarHBondContact O-N 3.33Å; M180-I198 HydrophobicContact CE-CD1 3.85Å; M180-I198 HydrophobicContact SD-CD1 3.75Å; M180-I198 HydrophobicContact SD-CG1 4.09Å; M180-I198 HydrophobicContact SD-CG2 4.21Å; M180-I218 HydrophobicContact CB-CG2 4.15Å; M180-I218 HydrophobicContact SD-CG2 4.18Å; M180-V219 CarbonylContact C-O 3.55Å; M180-V219 WeakPolarHBondContact CA-O 3.19Å; M180-C224 HydrophobicContact CE-CB 3.73Å; M180-F226 HydrophobicContact CE-CD1 4.04Å
181K94.4Very high90.9Very high86 Ų8648 Ų4837%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-107.5130.1177.1-177.8-174.5177.1-173.40108.9F188 I218 V219K181-F188 HydrophobicContact CD-CD2 4Å; K181-F188 HydrophobicContact CD-CE2 4.46Å; K181-F188 HydrophobicContact CG-CD2 3.55Å; K181-F188 HydrophobicContact CG-CE2 3.72Å; K181-I218 WeakPolarHBondContact O-CA 3.37Å; K181-V219 PolarHBondContact N-O 3.44Å; K181-V219 PolarHBondContact O-N 3.34Å
182V92.7Very high91.2Very high4 Ų445.6 Ų45.62%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-102.3134173-171.90000109.1L189 H190 I192 V216 I218V182-L189 HydrophobicContact CG1-CD1 4.27Å; V182-L189 PolarHBondContact O-N 3.13Å; V182-H190 WeakPolarHBondContact CB-O 3.38Å; V182-H190 PolarHBondContact N-O 3.24Å; V182-I192 HydrophobicContact CG2-CD1 3.37Å; V182-I192 HydrophobicContact CG2-CG1 3.73Å; V182-V216 HydrophobicContact CG1-CB 3.89Å; V182-V216 HydrophobicContact CG1-CG1 4.33Å; V182-V216 HydrophobicContact CG1-CG2 3.82Å; V182-I218 HydrophobicContact CG1-CG1 4.41Å; V182-I218 HydrophobicContact CG2-CG1 4.32Å
183S88.8Confident91.3Very high17 Ų1752.1 Ų52.112%0.11925%0.248CC..EExtended strand (participates in β ladder)trans-139.1144176.951.20000111.9H187 T217S183-H187 CarbonylContact C-O 3.6Å; S183-H187 WeakPolarHBondContact CA-O 3.34Å; S183-H187 WeakPolarHBondContact CB-O 3.49Å; S183-T217 PolarHBondContact N-O 3.44Å; S183-T217 PolarHBondContact O-N 3.39Å; S183-T217 PolarHBondContact OG-O 3.46Å
184Y88.1Confident91.2Very high83 Ų8355 Ų5533%0.32527%0.265SS..EExtended strand (participates in β ladder)trans-115.5122.7174.3177.5-106.8000109G186 H187 Q215 V216Y184-G186 PolarHBondContact O-N 3.16Å; Y184-H187 PolarHBondContact N-O 3.05Å; Y184-H187 WeakPolarHBondContact O-CB 3.39Å; Y184-H187 PolarHBondContact O-N 3.34Å; Y184-Q215 WeakPolarHBondContact CD2-O 3.38Å; Y184-Q215 WeakPolarHBondContact CE2-O 3.41Å; Y184-V216 HydrophobicContact CD2-CG1 4.25Å
185R86.7Confident91.1Very high177 Ų17756.2 Ų56.267%0.66827%0.272SS*.THydrogen-bonded Turntrans49.436.2-176.7-61.5-176.3170.9-180-1.9113.6E163 H187E163-R185 WeakPolarHBondContact OE1-CG 3.15Å; E163-R185 PolarHBondContact OE2-N 3.45Å; R185-H187 VanDerWaalsContact C-N 3.27Å; R185-H187 PolarHBondContact O-N 3.46Å
186G83.1Confident91Very high65 Ų6557.3 Ų57.367%0.6728%0.28SS*.THydrogen-bonded Turntrans80.7-10.4-176.900000115.9Y184Y184-G186 PolarHBondContact O-N 3.16Å
187H86.4Confident91.1Very high139 Ų13956.8 Ų56.864%0.64428%0.277SS*.EExtended strand (participates in β ladder)trans-79.6132.7173.9-64.8-81.6000110.9S183 Y184 R185 L189S183-H187 CarbonylContact C-O 3.6Å; S183-H187 WeakPolarHBondContact CA-O 3.34Å; S183-H187 WeakPolarHBondContact CB-O 3.49Å; Y184-H187 PolarHBondContact N-O 3.05Å; Y184-H187 WeakPolarHBondContact O-CB 3.39Å; Y184-H187 PolarHBondContact O-N 3.34Å; R185-H187 VanDerWaalsContact C-N 3.27Å; R185-H187 PolarHBondContact O-N 3.46Å; H187-L189 PolarHBondContact O-N 2.97Å
188F87.9Confident91.2Very high97 Ų9751.2 Ų51.243%0.42525%0.253SS..EExtended strand (participates in β ladder)trans-69.1131176.7172.4-113.3000110.8K181 H190 N191K181-F188 HydrophobicContact CD-CD2 4Å; K181-F188 HydrophobicContact CD-CE2 4.46Å; K181-F188 HydrophobicContact CG-CD2 3.55Å; K181-F188 HydrophobicContact CG-CE2 3.72Å; F188-H190 VanDerWaalsContact CE2-C 3.42Å; F188-H190 WeakPolarHBondContact CE2-O 3.32Å; F188-N191 WeakPolarHBondContact CE2-OD1 3.13Å
189L87.4Confident91.1Very high58 Ų5850.8 Ų50.830%0.30425%0.248SC..EExtended strand (participates in β ladder)trans-102.7-71177.1-72.3-177.6000111V182 H187 V216 L263V182-L189 HydrophobicContact CG1-CD1 4.27Å; V182-L189 PolarHBondContact O-N 3.13Å; H187-L189 PolarHBondContact O-N 2.97Å; L189-V216 HydrophobicContact CD1-CG1 4Å; L189-L263 HydrophobicContact CB-CD2 3.85Å; L189-L263 HydrophobicContact CD2-CD2 4.17Å; L189-L263 HydrophobicContact CG-CD2 4.49Å
190H90.8Very high90.9Very high19 Ų1949 Ų499%0.08824%0.24CC..EExtended strand (participates in β ladder)trans-154.3168.4-179.566.1-79.8000110.7V182 F188 T262 L263V182-H190 WeakPolarHBondContact CB-O 3.38Å; V182-H190 PolarHBondContact N-O 3.24Å; F188-H190 VanDerWaalsContact CE2-C 3.42Å; F188-H190 WeakPolarHBondContact CE2-O 3.32Å; H190-T262 HydrophobicContact CB-CG2 3.89Å; H190-L263 HydrophobicContact CB-CD2 4.36Å
191N92.4Very high90.5Very high31 Ų3151.1 Ų51.117%0.16625%0.254CS..EExtended strand (participates in β ladder)trans-102.3141.2173-67.6-44.1000110.2K179 M180 F188 Y193K179-N191 VanDerWaalsContact CE-ND2 3.29Å; K179-N191 WeakPolarHBondContact CE-ND2 3.44Å; K179-N191 HydrophobicContact CG-CB 4.47Å; K179-N191 PolarHBondContact NZ-ND2 3.31Å; M180-N191 CarbonylContact O-C 3.58Å; M180-N191 VanDerWaalsContact O-CA 3.29Å; M180-N191 WeakPolarHBondContact O-CA 3.45Å; F188-N191 WeakPolarHBondContact CE2-OD1 3.13Å; N191-Y193 HydrophobicContact CB-CE1 4.44Å; N191-Y193 HydrophobicContact CB-CE2 3.95Å
192I93.9Very high90.1Very high4 Ų448.2 Ų48.22%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-98.7126.9171-59163.5000107.6L175 M180 V182 I198 I218L175-I192 HydrophobicContact CB-CG2 4.5Å; L175-I192 HydrophobicContact CD2-CG2 4.11Å; L175-I192 WeakPolarHBondContact CD2-O 3.46Å; M180-I192 HydrophobicContact CB-CB 4.27Å; M180-I192 PolarHBondContact N-O 2.88Å; M180-I192 PolarHBondContact O-N 3.33Å; V182-I192 HydrophobicContact CG2-CD1 3.37Å; V182-I192 HydrophobicContact CG2-CG1 3.73Å; I192-I198 HydrophobicContact CD1-CG2 4.29Å; I192-I218 HydrophobicContact CD1-CG2 4.37Å
193Y93.3Very high89.8Confident137 Ų13749.4 Ų49.454%0.53725%0.247SC..  trans-106.8169-178.9-61.8-80.5000111.5K179 N191 S196K179-Y193 HydrophobicContact CD-CD1 4.22Å; K179-Y193 HydrophobicContact CD-CE1 3.75Å; K179-Y193 HydrophobicContact CG-CD1 4.14Å; K179-Y193 HydrophobicContact CG-CE1 4.1Å; N191-Y193 HydrophobicContact CB-CE1 4.44Å; N191-Y193 HydrophobicContact CB-CE2 3.95Å; Y193-S196 WeakPolarHBondContact O-CB 3.48Å; Y193-S196 PolarHBondContact O-N 3.13Å
194T92.8Very high89.5Confident59 Ų5956.8 Ų56.836%0.36227%0.272SS..THydrogen-bonded Turntrans-53.8144.2176.359.30000112G178 S196G178-T194 WeakPolarHBondContact O-CG2 3.48Å; T194-S196 VanDerWaalsContact C-N 3.31Å
195N91.4Very high89Confident26 Ų2656.3 Ų56.314%0.13928%0.281CS..THydrogen-bonded Turntrans6728.8-179.5-49.728.3000113.4A125 R129 M130 L175A125-N195 PolarHBondContact O-ND2 3.03Å; R129-N195 VanDerWaalsContact CD-ND2 3.32Å; R129-N195 WeakPolarHBondContact CD-ND2 3.4Å; R129-N195 PolarHBondContact NH1-ND2 3.5Å; R129-N195 VanDerWaalsContact NH1-ND2 3.18Å; M130-N195 HydrophobicContact SD-CB 4.31Å; M130-N195 VanDerWaalsContact SD-O 3.36Å; L175-N195 PolarHBondContact O-N 3.48Å
196S92.7Very high88.2Confident23 Ų2348.3 Ų48.316%0.16125%0.252CS..SBendtrans-124.6152.2171.1177.20000109.2L175 Y193 T194 D255L175-S196 PolarHBondContact N-O 3.42Å; Y193-S196 WeakPolarHBondContact O-CB 3.48Å; Y193-S196 PolarHBondContact O-N 3.13Å; T194-S196 VanDerWaalsContact C-N 3.31Å; S196-D255 PolarHBondContact OG-OD1 3.12Å
197F94.8Very high87.2Confident0 Ų052.3 Ų52.30%025%0.253CS..BIsolated β-bridgetrans-71.4148.2175-74-89.4000110.2M130 L172 S173 I174 S200 L251 I252 D255 K259M130-F197 HydrophobicContact CE-CD2 4.06Å; M130-F197 HydrophobicContact CE-CE2 3.51Å; M130-F197 HydrophobicContact CE-CZ 4.25Å; L172-F197 HydrophobicContact CD1-CD1 3.72Å; L172-F197 HydrophobicContact CD1-CE1 4.1Å; L172-F197 HydrophobicContact CD2-CD1 4.22Å; L172-F197 HydrophobicContact CD2-CE1 3.74Å; L172-F197 HydrophobicContact CG-CD1 3.98Å; L172-F197 HydrophobicContact CG-CE1 3.97Å; S173-F197 WeakPolarHBondContact O-CA 3.49Å; I174-F197 HydrophobicContact CD1-CD1 4.12Å; I174-F197 HydrophobicContact CD1-CE1 3.55Å; I174-F197 HydrophobicContact CD1-CE2 4.28Å; I174-F197 HydrophobicContact CD1-CZ 3.65Å; I174-F197 HydrophobicContact CG1-CD1 3.45Å; I174-F197 VanDerWaalsContact CG1-CD1 3.45Å; I174-F197 HydrophobicContact CG1-CD2 4.48Å; I174-F197 HydrophobicContact CG1-CE1 3.41Å; I174-F197 VanDerWaalsContact CG1-CE1 3.41Å; I174-F197 HydrophobicContact CG1-CE2 4.44Å; I174-F197 HydrophobicContact CG1-CG 4.02Å; I174-F197 HydrophobicContact CG1-CZ 3.94Å; F197-S200 VanDerWaalsContact CB-CB 3.48Å; F197-S200 WeakPolarHBondContact CB-OG 3.49Å; F197-L251 HydrophobicContact CE2-CB 4.04Å; F197-L251 HydrophobicContact CZ-CB 4.45Å; F197-I252 HydrophobicContact CZ-CG1 4.33Å; F197-D255 HydrophobicContact CD2-CB 3.92Å; F197-D255 PolarHBondContact N-OD1 3.35Å; F197-K259 VanDerWaalsContact O-CE 3.32Å; F197-K259 WeakPolarHBondContact O-CE 3.35Å; F197-K259 PolarHBondContact O-NZ 3.4Å
198I94.1Very high86Confident2 Ų249.3 Ų49.31%0.0124%0.24CC..SBendtrans-87.1-51.6178.2-59171.5000109.2Y160 S173 L175 M180 I192 I218 F226 K259Y160-I198 HydrophobicContact CD1-CG2 3.6Å; Y160-I198 HydrophobicContact CE1-CB 4.38Å; Y160-I198 HydrophobicContact CE1-CG2 3.5Å; Y160-I198 VanDerWaalsContact CE1-CG2 3.5Å; Y160-I198 HydrophobicContact CE2-CD1 4.31Å; Y160-I198 HydrophobicContact CE2-CG2 4.48Å; Y160-I198 HydrophobicContact CG-CG2 4.16Å; S173-I198 PolarHBondContact O-N 3.48Å; L175-I198 HydrophobicContact CB-CD1 4.29Å; L175-I198 HydrophobicContact CB-CG1 4.16Å; M180-I198 HydrophobicContact CE-CD1 3.85Å; M180-I198 HydrophobicContact SD-CD1 3.75Å; M180-I198 HydrophobicContact SD-CG1 4.09Å; M180-I198 HydrophobicContact SD-CG2 4.21Å; I192-I198 HydrophobicContact CD1-CG2 4.29Å; I198-I218 HydrophobicContact CG2-CD1 3.98Å; I198-I218 HydrophobicContact CG2-CG2 4.25Å; I198-F226 HydrophobicContact CD1-CB 3.68Å; I198-F226 HydrophobicContact CD1-CD2 4.34Å; I198-F226 HydrophobicContact CD1-CG 3.99Å; I198-K259 PolarHBondContact O-NZ 2.97Å; I198-K259 VanDerWaalsContact O-NZ 3.12Å
199D91.1Very high84.6Confident2 Ų251.7 Ų51.71%0.01125%0.252CS..SBendtrans-116.832-168.447.76.3000112.4Y160 L172 S173 E202 F203 F214Y160-D199 PolarHBondContact OH-OD2 3.42Å; L172-D199 WeakPolarHBondContact CA-OD1 3.27Å; S173-D199 PolarHBondContact N-OD1 3.27Å; S173-D199 PolarHBondContact N-OD2 3.48Å; D199-E202 WeakPolarHBondContact CA-OE2 3.49Å; D199-E202 HydrophobicContact CB-CB 4.29Å; D199-E202 PolarHBondContact O-N 2.67Å; D199-F203 VanDerWaalsContact O-CB 3.26Å; D199-F203 WeakPolarHBondContact O-CB 3.43Å; D199-F203 PolarHBondContact O-N 3.25Å; D199-F214 HydrophobicContact CB-CE1 4.15Å; D199-F214 HydrophobicContact CB-CZ 3.93Å
200S90.7Very high83.5Confident0 Ų056.7 Ų56.70%027%0.267CS..Hα-helixtrans-63.2-42.4178.240.50000114.7F197 R204 D255 K259F197-S200 VanDerWaalsContact CB-CB 3.48Å; F197-S200 WeakPolarHBondContact CB-OG 3.49Å; S200-R204 PolarHBondContact O-N 2.83Å; S200-D255 PolarHBondContact OG-OD2 3.4Å; S200-K259 PolarHBondContact OG-NZ 3.32Å
201P86.6Confident82.4Confident45 Ų4558.3 Ų58.329%0.29229%0.289SS..Hα-helixtrans-60.5-49.3172.9-2030.9000111.2F203 R204 S205 I256 K259P201-F203 VanDerWaalsContact C-N 3.33Å; P201-F203 PolarHBondContact O-N 3.31Å; P201-R204 PolarHBondContact O-N 2.79Å; P201-R204 VanDerWaalsContact O-N 3.14Å; P201-S205 WeakPolarHBondContact O-CB 3.24Å; P201-S205 PolarHBondContact O-N 2.84Å; P201-S205 PolarHBondContact O-OG 3.3Å; P201-S205 VanDerWaalsContact O-OG 3.09Å; P201-I256 HydrophobicContact CG-CG1 4.33Å; P201-K259 HydrophobicContact CG-CD 4.39Å
202E86.9Confident81.8Confident25 Ų2559.1 Ų59.112%0.11729%0.292CS..Hα-helixtrans-58.9-44.8-179-72.884-17500111.2V168 D199 R204 S205 T206 F214V168-E202 HydrophobicContact CG1-CB 3.53Å; V168-E202 HydrophobicContact CG1-CG 4.24Å; V168-E202 HydrophobicContact CG2-CB 4.26Å; V168-E202 HydrophobicContact CG2-CG 4.05Å; D199-E202 WeakPolarHBondContact CA-OE2 3.49Å; D199-E202 HydrophobicContact CB-CB 4.29Å; D199-E202 PolarHBondContact O-N 2.67Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 3.44Å; E202-S205 PolarHBondContact O-N 3.48Å; E202-S205 PolarHBondContact O-OG 2.86Å; E202-T206 WeakPolarHBondContact O-CB 3.28Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 VanDerWaalsContact O-N 3.16Å; E202-T206 PolarHBondContact O-OG1 2.91Å; E202-F214 HydrophobicContact CB-CE1 4.37Å; E202-F214 HydrophobicContact CG-CD1 3.89Å; E202-F214 HydrophobicContact CG-CE1 3.68Å; E202-F214 HydrophobicContact CG-CZ 4.24Å
203F85.4Confident81.3Confident28 Ų2864.2 Ų64.212%0.12331%0.314CS..Hα-helixtrans-60.9-38.4176.9-176.1-94.9000113.4L172 D199 P201 R231 L234 I252L172-F203 HydrophobicContact CB-CD2 3.72Å; L172-F203 HydrophobicContact CB-CE2 3.97Å; L172-F203 HydrophobicContact CB-CG 4.3Å; L172-F203 HydrophobicContact CD1-CB 3.62Å; L172-F203 HydrophobicContact CD1-CD1 4.24Å; L172-F203 HydrophobicContact CD1-CD2 4.03Å; L172-F203 HydrophobicContact CD1-CG 3.71Å; L172-F203 HydrophobicContact CD2-CD1 4.38Å; L172-F203 HydrophobicContact CD2-CD2 4.37Å; L172-F203 HydrophobicContact CD2-CE1 4.37Å; L172-F203 HydrophobicContact CD2-CE2 4.34Å; L172-F203 HydrophobicContact CD2-CG 4.38Å; L172-F203 HydrophobicContact CD2-CZ 4.35Å; L172-F203 HydrophobicContact CG-CD2 4.25Å; L172-F203 HydrophobicContact CG-CG 4.35Å; D199-F203 VanDerWaalsContact O-CB 3.26Å; D199-F203 WeakPolarHBondContact O-CB 3.43Å; D199-F203 PolarHBondContact O-N 3.25Å; P201-F203 VanDerWaalsContact C-N 3.33Å; P201-F203 PolarHBondContact O-N 3.31Å; F203-R231 HydrophobicContact CE2-CB 4.4Å; F203-R231 HydrophobicContact CE2-CG 3.94Å; F203-R231 PolarHBondContact O-NH1 2.99Å; F203-R231 VanDerWaalsContact O-NH1 3.11Å; F203-L234 HydrophobicContact CE2-CD2 4.38Å; F203-L234 HydrophobicContact CZ-CD2 4.25Å; F203-I252 HydrophobicContact CD1-CD1 3.71Å; F203-I252 HydrophobicContact CE1-CD1 3.78Å
204R83.9Confident80.9Confident172 Ų17257.8 Ų57.865%0.64929%0.289SS*.Hα-helixtrans-81.7-32.6-178.4-171.1176.4-178.7-150.1-0.7113.2S200 P201 E202 I252 I256S200-R204 PolarHBondContact O-N 2.83Å; P201-R204 PolarHBondContact O-N 2.79Å; P201-R204 VanDerWaalsContact O-N 3.14Å; E202-R204 VanDerWaalsContact C-N 3.31Å; E202-R204 PolarHBondContact O-N 3.44Å; R204-I252 HydrophobicContact CB-CG2 4.21Å; R204-I256 HydrophobicContact CB-CD1 3.89Å; R204-I256 VanDerWaalsContact CD-CD1 3.44Å; R204-I256 HydrophobicContact CG-CD1 4.3Å
205S76Confident80.6Confident74 Ų7460.8 Ų60.852%0.51730%0.298SS..Hα-helixtrans-82.9-25.3-175.463.90000113.3P201 E202P201-S205 WeakPolarHBondContact O-CB 3.24Å; P201-S205 PolarHBondContact O-N 2.84Å; P201-S205 PolarHBondContact O-OG 3.3Å; P201-S205 VanDerWaalsContact O-OG 3.09Å; E202-S205 PolarHBondContact O-N 3.48Å; E202-S205 PolarHBondContact O-OG 2.86Å
206T69.6Low80.4Confident9 Ų960.5 Ų60.56%0.05530%0.298CS..PPolyproline II helixtrans-96.2127.6-177.449.60000111.9V168 E202 E212 R231V168-T206 HydrophobicContact CB-CG2 4.01Å; V168-T206 HydrophobicContact CG1-CG2 3.36Å; V168-T206 WeakPolarHBondContact CG1-OG1 3.26Å; E202-T206 WeakPolarHBondContact O-CB 3.28Å; E202-T206 PolarHBondContact O-N 3.43Å; E202-T206 VanDerWaalsContact O-N 3.16Å; E202-T206 PolarHBondContact O-OG1 2.91Å; T206-E212 HydrophobicContact CG2-CB 3.75Å; T206-E212 HydrophobicContact CG2-CG 4.2Å; T206-E212 VanDerWaalsContact CG2-OE2 3.23Å; T206-E212 WeakPolarHBondContact CG2-OE2 3.44Å; T206-R231 PolarHBondContact O-NH1 3.44Å; T206-R231 PolarHBondContact OG1-NH1 3.29Å; T206-R231 PolarHBondContact OG1-NH2 3.41Å
207E63Low80.4Confident148 Ų14861 Ų6169%0.69230%0.3SS*.PPolyproline II helixtrans-77.2152.7159.4-67.4-175.4173.900109.6
208M60.8Low80.5Confident76 Ų7661.1 Ų61.137%0.37430%0.3SS..THydrogen-bonded Turntrans-66.6139-175.6-161175.9161.900111.2E232M208-E232 HydrophobicContact CE-CB 4.37Å; M208-E232 HydrophobicContact CE-CG 3.08Å; M208-E232 VanDerWaalsContact CE-OE1 3.3Å; M208-E232 WeakPolarHBondContact CE-OE1 3.25Å; M208-E232 HydrophobicContact SD-CG 4.28Å
209H59.6Low80.5Confident147 Ų14762.9 Ų62.968%0.68131%0.311SS*.THydrogen-bonded Turntrans71.422.6177.9-49.5-69.4000116.7D169D169-H209 PolarHBondContact OD2-N 3.2Å
210R64.3Low80.8Confident163 Ų16362.9 Ų62.962%0.61531%0.311SS*.SBendtrans-87.1-15.7178.2-157.1165178.4-156.613113D169 E212D169-R210 PolarHBondContact OD2-N 3.44Å; R210-E212 HydrophobicContact CB-CG 4.25Å; R210-E212 VanDerWaalsContact CD-OE1 3.22Å; R210-E212 WeakPolarHBondContact CD-OE1 3.41Å; R210-E212 HydrophobicContact CG-CG 4.17Å; R210-E212 IonicContact CZ-OE1 2.87Å; R210-E212 IonicContact NE-OE1 3.13Å; R210-E212 PolarHBondContact NE-OE1 2.99Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 3.28Å; R210-E212 PolarHBondContact O-N 3.12Å
211G67Low81Confident53 Ų5366.4 Ų66.455%0.54633%0.328SS..  trans71.121.7178.300000113.1D169D169-G211 PolarHBondContact OD2-N 2.92Å
212E79Confident81.4Confident49 Ų4969.1 Ų69.123%0.22934%0.337CS..  trans-66.4146177.4-69.5-172.1-158.700110.4V168 T206 R210V168-E212 WeakPolarHBondContact CB-O 3.49Å; V168-E212 PolarHBondContact N-O 3.47Å; T206-E212 HydrophobicContact CG2-CB 3.75Å; T206-E212 HydrophobicContact CG2-CG 4.2Å; T206-E212 VanDerWaalsContact CG2-OE2 3.23Å; T206-E212 WeakPolarHBondContact CG2-OE2 3.44Å; R210-E212 HydrophobicContact CB-CG 4.25Å; R210-E212 VanDerWaalsContact CD-OE1 3.22Å; R210-E212 WeakPolarHBondContact CD-OE1 3.41Å; R210-E212 HydrophobicContact CG-CG 4.17Å; R210-E212 IonicContact CZ-OE1 2.87Å; R210-E212 IonicContact NE-OE1 3.13Å; R210-E212 PolarHBondContact NE-OE1 2.99Å; R210-E212 IonicContact NH1-OE1 2.72Å; R210-E212 PolarHBondContact NH1-OE1 3.28Å; R210-E212 PolarHBondContact O-N 3.12Å
213K84.9Confident81.8Confident110 Ų11073.4 Ų73.448%0.47836%0.36SS..BIsolated β-bridgetrans-110.8156.1-178.8-57.6-170.8-169.3174.60110.6D164 T166 V168 Q215D164-K213 VanDerWaalsContact C-CD 3.4Å; D164-K213 WeakPolarHBondContact O-CD 3.4Å; D164-K213 PolarHBondContact O-NZ 3.33Å; D164-K213 VanDerWaalsContact O-NZ 3.11Å; T166-K213 CarbonylContact O-C 3.44Å; T166-K213 VanDerWaalsContact O-CA 3.24Å; T166-K213 WeakPolarHBondContact O-CA 3.48Å; T166-K213 WeakPolarHBondContact O-CB 3.48Å; V168-K213 VanDerWaalsContact CG2-C 3.44Å; K213-Q215 PolarHBondContact O-N 3.29Å
214F84.2Confident82.2Confident3 Ų372.1 Ų72.11%0.01336%0.355CS..  trans-59125.7176.1-87.3-96.4000109.4Y160 A161 E163 D164 T166 S167 V168 D199 E202 V216 I218Y160-F214 HydrophobicContact CE1-CE1 4.49Å; Y160-F214 HydrophobicContact CE1-CZ 4.15Å; A161-F214 HydrophobicContact CB-CB 4.13Å; A161-F214 HydrophobicContact CB-CD1 3.58Å; A161-F214 HydrophobicContact CB-CD2 3.77Å; A161-F214 HydrophobicContact CB-CE1 3.84Å; A161-F214 HydrophobicContact CB-CE2 4.02Å; A161-F214 HydrophobicContact CB-CG 3.54Å; A161-F214 HydrophobicContact CB-CZ 4.06Å; E163-F214 CarbonylContact C-O 3.58Å; E163-F214 VanDerWaalsContact CA-O 3.29Å; E163-F214 WeakPolarHBondContact CA-O 3.31Å; D164-F214 PolarHBondContact N-O 3.18Å; T166-F214 HydrophobicContact CG2-CD2 3.87Å; T166-F214 HydrophobicContact CG2-CE2 4.07Å; T166-F214 WeakPolarHBondContact O-CD2 3.4Å; T166-F214 PolarHBondContact O-N 2.99Å; S167-F214 WeakPolarHBondContact O-CE2 3.38Å; V168-F214 HydrophobicContact CB-CE2 4.43Å; V168-F214 HydrophobicContact CG2-CB 4.48Å; V168-F214 HydrophobicContact CG2-CD2 3.6Å; V168-F214 HydrophobicContact CG2-CE2 3.89Å; V168-F214 HydrophobicContact CG2-CG 3.99Å; V168-F214 HydrophobicContact CG2-CZ 4.49Å; D199-F214 HydrophobicContact CB-CE1 4.15Å; D199-F214 HydrophobicContact CB-CZ 3.93Å; E202-F214 HydrophobicContact CB-CE1 4.37Å; E202-F214 HydrophobicContact CG-CD1 3.89Å; E202-F214 HydrophobicContact CG-CE1 3.68Å; E202-F214 HydrophobicContact CG-CZ 4.24Å; F214-V216 VanDerWaalsContact C-N 3.27Å; F214-I218 HydrophobicContact CD1-CD1 4.28Å; F214-I218 HydrophobicContact CE1-CD1 4.02Å
215Q85.9Confident82.7Confident121 Ų12167 Ų6757%0.56534%0.337SS*.SBendtrans-81.9-11.5176-61.2179.917.700112E163 Y184 K213E163-Q215 WeakPolarHBondContact CG-O 3.32Å; Y184-Q215 WeakPolarHBondContact CD2-O 3.38Å; Y184-Q215 WeakPolarHBondContact CE2-O 3.41Å; K213-Q215 PolarHBondContact O-N 3.29Å
216V88.6Confident83.5Confident21 Ų2163.7 Ų63.713%0.12731%0.314CS..SBendtrans-126.5151.1-178.5-63.90000110.5V182 Y184 L189 F214 I218V182-V216 HydrophobicContact CG1-CB 3.89Å; V182-V216 HydrophobicContact CG1-CG1 4.33Å; V182-V216 HydrophobicContact CG1-CG2 3.82Å; Y184-V216 HydrophobicContact CD2-CG1 4.25Å; L189-V216 HydrophobicContact CD1-CG1 4Å; F214-V216 VanDerWaalsContact C-N 3.27Å; V216-I218 HydrophobicContact CG2-CD1 4.41Å; V216-I218 HydrophobicContact CG2-CG1 4.15Å
217T92.9Very high84.5Confident33 Ų3363.3 Ų63.320%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-93.4126.5171.6-630000109.7A161 E163 S183 V219A161-T217 WeakPolarHBondContact O-CA 3.28Å; E163-T217 VanDerWaalsContact CB-OG1 3.23Å; E163-T217 WeakPolarHBondContact CB-OG1 3.32Å; E163-T217 PolarHBondContact N-OG1 2.89Å; E163-T217 VanDerWaalsContact N-OG1 3.09Å; S183-T217 PolarHBondContact N-O 3.44Å; S183-T217 PolarHBondContact O-N 3.39Å; S183-T217 PolarHBondContact OG-O 3.46Å; T217-V219 HydrophobicContact CG2-CG2 3.81Å
218I95.1Very high85.9Confident2 Ų256.7 Ų56.71%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-115.3119.1180-53.1177.1000108.5A159 Y160 A161 M180 K181 V182 I192 I198 F214 V216A159-I218 CarbonylContact C-O 3.56Å; A159-I218 WeakPolarHBondContact CA-O 3.4Å; Y160-I218 HydrophobicContact CD1-CB 4.34Å; Y160-I218 HydrophobicContact CD1-CD1 4.19Å; Y160-I218 HydrophobicContact CD1-CG2 4.41Å; Y160-I218 PolarHBondContact N-O 2.88Å; A161-I218 PolarHBondContact N-O 3.17Å; A161-I218 PolarHBondContact O-N 2.87Å; M180-I218 HydrophobicContact CB-CG2 4.15Å; M180-I218 HydrophobicContact SD-CG2 4.18Å; K181-I218 WeakPolarHBondContact O-CA 3.37Å; V182-I218 HydrophobicContact CG1-CG1 4.41Å; V182-I218 HydrophobicContact CG2-CG1 4.32Å; I192-I218 HydrophobicContact CD1-CG2 4.37Å; I198-I218 HydrophobicContact CG2-CD1 3.98Å; I198-I218 HydrophobicContact CG2-CG2 4.25Å; F214-I218 HydrophobicContact CD1-CD1 4.28Å; F214-I218 HydrophobicContact CE1-CD1 4.02Å; V216-I218 HydrophobicContact CG2-CD1 4.41Å; V216-I218 HydrophobicContact CG2-CG1 4.15Å
219V96.1Very high87.4Confident40 Ų4053.1 Ų53.124%0.24226%0.263CS..EExtended strand (participates in β ladder)trans-124.7140.3-176.1-176.70000110.7A159 M180 K181 T217 E221A159-V219 HydrophobicContact CB-CG2 4.35Å; M180-V219 CarbonylContact C-O 3.55Å; M180-V219 WeakPolarHBondContact CA-O 3.19Å; K181-V219 PolarHBondContact N-O 3.44Å; K181-V219 PolarHBondContact O-N 3.34Å; T217-V219 HydrophobicContact CG2-CG2 3.81Å; V219-E221 PolarHBondContact O-N 3.41Å
220A96.9Very high88.7Confident1 Ų148 Ų481%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-68.5117.8172.400000111.1L154 K155 G157 Q158 E222 C224L154-A220 HydrophobicContact CB-CB 4.41Å; L154-A220 HydrophobicContact CD2-CB 3.8Å; L154-A220 HydrophobicContact CG-CB 3.95Å; K155-A220 WeakPolarHBondContact O-CB 3.46Å; G157-A220 PolarHBondContact N-O 3.43Å; Q158-A220 PolarHBondContact O-N 3.46Å; A220-E222 WeakPolarHBondContact CB-O 3.25Å; A220-C224 HydrophobicContact CB-CB 4.5Å
221E94.8Very high89.9Confident75 Ų7541 Ų4135%0.3522%0.218SC..SBendtrans-80.6-25.9172.9-168.4176.6-168.200111.3K156 K179 V219K156-E221 WeakPolarHBondContact CD-O 3.37Å; K156-E221 WeakPolarHBondContact CE-O 3.45Å; K156-E221 VanDerWaalsContact CG-O 3.24Å; K156-E221 WeakPolarHBondContact CG-O 3.46Å; K179-E221 WeakPolarHBondContact CD-OE2 3.48Å; K179-E221 WeakPolarHBondContact CE-OE2 3.45Å; K179-E221 IonicContact NZ-OE1 3.45Å; K179-E221 IonicContact NZ-OE2 2.78Å; K179-E221 PolarHBondContact NZ-OE2 2.88Å; K179-E221 WeakPolarHBondContact O-CB 3.47Å; K179-E221 PolarHBondContact O-N 2.99Å; V219-E221 PolarHBondContact O-N 3.41Å
222E95.4Very high90.8Very high102 Ų10243.9 Ų43.948%0.47722%0.217SC..SBendtrans-131.3178.4177.7-64.1-177.817700111K179 A220 C224K179-E222 HydrophobicContact CB-CG 4.38Å; K179-E222 PolarHBondContact O-N 3.28Å; A220-E222 WeakPolarHBondContact CB-O 3.25Å; E222-C224 PolarHBondContact O-N 2.88Å; E222-C224 VanDerWaalsContact O-N 3.07Å; E222-C224 PolarHBondContact O-SG 3.28Å; E222-C224 VanDerWaalsContact O-SG 3.37Å
223N94.7Very high91.2Very high114 Ų11448.5 Ų48.561%0.6123%0.233SC*.  trans-69108168.9-69.2-29.7000109.2L154 K156L154-N223 CarbonylContact O-C 3.55Å; K156-N223 PolarHBondContact N-OD1 3.26Å; K156-N223 VanDerWaalsContact N-OD1 3.1Å
224C94.4Very high91.5Very high2 Ų243.3 Ų43.31%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-98.9148.3-174.9-67.80000111.6T153 L154 L175 K177 K179 M180 A220 E222T153-C224 CarbonylContact C-O 3.45Å; T153-C224 WeakPolarHBondContact CA-O 3.29Å; L154-C224 HydrophobicContact CB-CB 4.3Å; L154-C224 PolarHBondContact N-O 3.48Å; L154-C224 PolarHBondContact O-N 3.32Å; L175-C224 HydrophobicContact CD1-CB 3.95Å; K177-C224 CarbonylContact O-C 3.54Å; K177-C224 WeakPolarHBondContact O-CA 3.32Å; K179-C224 PolarHBondContact N-SG 3.47Å; K179-C224 VanDerWaalsContact N-SG 3.44Å; K179-C224 PolarHBondContact O-SG 3.39Å; M180-C224 HydrophobicContact CE-CB 3.73Å; A220-C224 HydrophobicContact CB-CB 4.5Å; E222-C224 PolarHBondContact O-N 2.88Å; E222-C224 VanDerWaalsContact O-N 3.07Å; E222-C224 PolarHBondContact O-SG 3.28Å; E222-C224 VanDerWaalsContact O-SG 3.37Å
225K93.2Very high91.7Very high64 Ų6445.5 Ų45.528%0.27822%0.224SC..EExtended strand (participates in β ladder)trans-126.4136.1163.7-66.8-174.6171.2179.20108.4E122 Q152 T153 L176 K177E122-K225 WeakPolarHBondContact OE1-CD 3.37Å; E122-K225 IonicContact OE1-NZ 3.54Å; E122-K225 PolarHBondContact OE1-NZ 2.83Å; E122-K225 WeakPolarHBondContact OE2-CD 3.49Å; E122-K225 IonicContact OE2-NZ 2.69Å; Q152-K225 WeakPolarHBondContact O-CA 3.41Å; T153-K225 HydrophobicContact CG2-CD 4.35Å; T153-K225 HydrophobicContact CG2-CG 3.82Å; L176-K225 WeakPolarHBondContact CA-O 3.39Å; L176-K225 HydrophobicContact CB-CB 4.45Å; L176-K225 WeakPolarHBondContact CB-O 3.21Å; L176-K225 PolarHBondContact N-O 3.27Å; K177-K225 HydrophobicContact CB-CB 4.21Å; K177-K225 PolarHBondContact N-O 2.96Å; K177-K225 PolarHBondContact O-N 2.83Å
226F92.9Very high91.9Very high5 Ų547.9 Ų47.92%0.02223%0.229CC..EExtended strand (participates in β ladder)trans-139.3149.7-179.163.4-87.5000111Q152 L154 Y160 I174 L175 M180 I198 C228Q152-F226 HydrophobicContact CB-CD1 4.47Å; Q152-F226 HydrophobicContact CB-CD2 4.34Å; Q152-F226 HydrophobicContact CB-CE1 3.86Å; Q152-F226 HydrophobicContact CB-CE2 3.71Å; Q152-F226 HydrophobicContact CB-CZ 3.44Å; Q152-F226 VanDerWaalsContact CB-CZ 3.44Å; Q152-F226 HydrophobicContact CG-CE2 4.36Å; Q152-F226 HydrophobicContact CG-CZ 4.35Å; Q152-F226 PolarHBondContact N-O 2.79Å; Q152-F226 PolarHBondContact O-N 3.49Å; L154-F226 HydrophobicContact CB-CE1 4.17Å; Y160-F226 HydrophobicContact CD2-CE1 4.13Å; Y160-F226 HydrophobicContact CD2-CE2 4.11Å; Y160-F226 AromaticContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CD2-CZ 3.84Å; Y160-F226 HydrophobicContact CE2-CD2 4.07Å; Y160-F226 HydrophobicContact CE2-CE1 4.44Å; Y160-F226 AromaticContact CE2-CE2 3.6Å; Y160-F226 HydrophobicContact CE2-CE2 3.6Å; Y160-F226 AromaticContact CE2-CZ 3.81Å; Y160-F226 HydrophobicContact CE2-CZ 3.81Å; I174-F226 CarbonylContact O-C 3.4Å; I174-F226 VanDerWaalsContact O-CA 3.26Å; I174-F226 WeakPolarHBondContact O-CA 3.4Å; I174-F226 WeakPolarHBondContact O-CB 3.48Å; L175-F226 HydrophobicContact CD1-CB 4.36Å; M180-F226 HydrophobicContact CE-CD1 4.04Å; I198-F226 HydrophobicContact CD1-CB 3.68Å; I198-F226 HydrophobicContact CD1-CD2 4.34Å; I198-F226 HydrophobicContact CD1-CG 3.99Å; F226-C228 HydrophobicContact CD2-CB 4.17Å; F226-C228 HydrophobicContact CE2-CB 4.05Å
227L91.9Very high91.9Very high1 Ų147.4 Ų47.41%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-87.9133.5173.8-17168.3000107.8L123 T145 C149 I151 S173 I174 L176 W229L123-L227 HydrophobicContact CD1-CD1 4.14Å; L123-L227 HydrophobicContact CD2-CD1 4.17Å; L123-L227 HydrophobicContact CG-CD1 4.26Å; T145-L227 HydrophobicContact CG2-CD2 4.26Å; C149-L227 HydrophobicContact CB-CD1 4.25Å; C149-L227 WeakPolarHBondContact SG-CD1 3.28Å; C149-L227 WeakPolarHBondContact SG-CG 3.4Å; I151-L227 HydrophobicContact CG1-CD1 4Å; S173-L227 CarbonylContact C-O 3.56Å; S173-L227 WeakPolarHBondContact CA-O 3.32Å; S173-L227 VanDerWaalsContact CB-O 3.23Å; S173-L227 WeakPolarHBondContact CB-O 3.4Å; I174-L227 HydrophobicContact CB-CB 4.42Å; I174-L227 PolarHBondContact N-O 2.98Å; I174-L227 PolarHBondContact O-N 3.28Å; L176-L227 HydrophobicContact CD1-CB 4.19Å; L176-L227 HydrophobicContact CD2-CB 3.98Å; L176-L227 HydrophobicContact CG-CB 4.09Å; L227-W229 HydrophobicContact CD2-CH2 3.33Å; L227-W229 HydrophobicContact CD2-CZ2 3.38Å; L227-W229 HydrophobicContact CD2-CZ3 4.02Å; L227-W229 HydrophobicContact CG-CH2 4.17Å; L227-W229 HydrophobicContact CG-CZ2 4.13Å; L227-W229 HydrophobicContact CG-CZ3 4.46Å
228C91Very high91.8Very high8 Ų846.4 Ų46.45%0.05422%0.218CC..EExtended strand (participates in β ladder)trans-133120.8-175.7177.20000110.3C149 T150 R171 F226C149-C228 PolarHBondContact SG-O 3.2Å; C149-C228 VanDerWaalsContact SG-O 3.37Å; T150-C228 PolarHBondContact N-O 3.08Å; T150-C228 PolarHBondContact O-N 3.06Å; T150-C228 PolarHBondContact OG1-O 3.45Å; R171-C228 WeakPolarHBondContact CD-SG 3.4Å; F226-C228 HydrophobicContact CD2-CB 4.17Å; F226-C228 HydrophobicContact CE2-CB 4.05Å
229W91.8Very high91.6Very high1 Ų152.7 Ų52.70%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-102.3142.6170-65.3-80.2000110.6L144 T145 C149 R171 L172 I174 L227 L234 F248L144-W229 HydrophobicContact CD2-CZ2 4.12Å; L144-W229 HydrophobicContact CG-CZ2 4.25Å; L144-W229 PolarHBondContact O-NE1 2.86Å; T145-W229 HydrophobicContact CG2-CZ2 4.19Å; C149-W229 VanDerWaalsContact SG-CD1 3.5Å; C149-W229 VanDerWaalsContact SG-CE2 3.58Å; C149-W229 PolarHBondContact SG-NE1 3.5Å; R171-W229 CarbonylContact C-O 3.52Å; R171-W229 WeakPolarHBondContact CA-O 3.12Å; R171-W229 VanDerWaalsContact CB-O 3.25Å; R171-W229 WeakPolarHBondContact CB-O 3.46Å; L172-W229 PolarHBondContact N-O 3.19Å; L172-W229 PolarHBondContact O-N 3.47Å; I174-W229 HydrophobicContact CD1-CH2 3.58Å; I174-W229 HydrophobicContact CD1-CZ3 3.55Å; I174-W229 HydrophobicContact CG1-CH2 4.31Å; I174-W229 HydrophobicContact CG1-CZ3 3.82Å; L227-W229 HydrophobicContact CD2-CH2 3.33Å; L227-W229 HydrophobicContact CD2-CZ2 3.38Å; L227-W229 HydrophobicContact CD2-CZ3 4.02Å; L227-W229 HydrophobicContact CG-CH2 4.17Å; L227-W229 HydrophobicContact CG-CZ2 4.13Å; L227-W229 HydrophobicContact CG-CZ3 4.46Å; W229-L234 HydrophobicContact CB-CB 4.12Å; W229-L234 HydrophobicContact CB-CD2 4.09Å; W229-L234 HydrophobicContact CG-CD1 4.33Å; W229-L234 HydrophobicContact CG-CD2 4.4Å; W229-F248 HydrophobicContact CH2-CZ 4.3Å
230S88.9Confident91.3Very high41 Ų4154.8 Ų54.829%0.28726%0.264SS..EExtended strand (participates in β ladder)trans-69.3132.4163.7163.60000109E232 R233 L234S230-E232 VanDerWaalsContact C-N 3.34Å; S230-E232 PolarHBondContact O-N 3.3Å; S230-R233 PolarHBondContact O-N 3.02Å; S230-L234 VanDerWaalsContact O-CB 3.31Å; S230-L234 WeakPolarHBondContact O-CB 3.44Å; S230-L234 PolarHBondContact O-N 2.91Å
231R87.4Confident91Very high14 Ų1456.6 Ų56.65%0.05327%0.274CS..Hα-helixtrans-54.4-50.1179.4176178.6-63.9-123.312.1111.6V168 D169 E170 F203 T206 R233 L234 T235V168-R231 PolarHBondContact O-NH2 3.26Å; D169-R231 WeakPolarHBondContact O-CB 3.14Å; D169-R231 VanDerWaalsContact O-CD 3.31Å; D169-R231 WeakPolarHBondContact O-CD 3.25Å; D169-R231 PolarHBondContact O-NE 2.75Å; E170-R231 PolarHBondContact O-N 2.87Å; E170-R231 VanDerWaalsContact O-N 3.11Å; F203-R231 HydrophobicContact CE2-CB 4.4Å; F203-R231 HydrophobicContact CE2-CG 3.94Å; F203-R231 PolarHBondContact O-NH1 2.99Å; F203-R231 VanDerWaalsContact O-NH1 3.11Å; T206-R231 PolarHBondContact O-NH1 3.44Å; T206-R231 PolarHBondContact OG1-NH1 3.29Å; T206-R231 PolarHBondContact OG1-NH2 3.41Å; R231-R233 PolarHBondContact O-N 2.98Å; R231-L234 PolarHBondContact O-N 3.25Å; R231-T235 WeakPolarHBondContact O-CB 3.25Å; R231-T235 PolarHBondContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.63Å
232E87.2Confident90.8Very high114 Ų11458.4 Ų58.453%0.53329%0.29SS..Hα-helixtrans-49.6-56.2179.3-75.6178.5-171.800112.8M208 S230 L234 T235 Y236M208-E232 HydrophobicContact CE-CB 4.37Å; M208-E232 HydrophobicContact CE-CG 3.08Å; M208-E232 VanDerWaalsContact CE-OE1 3.3Å; M208-E232 WeakPolarHBondContact CE-OE1 3.25Å; M208-E232 HydrophobicContact SD-CG 4.28Å; S230-E232 VanDerWaalsContact C-N 3.34Å; S230-E232 PolarHBondContact O-N 3.3Å; E232-L234 VanDerWaalsContact C-N 3.34Å; E232-L234 PolarHBondContact O-N 2.88Å; E232-T235 PolarHBondContact O-N 2.93Å; E232-Y236 WeakPolarHBondContact O-CB 3.26Å; E232-Y236 PolarHBondContact O-N 2.93Å
233R87.6Confident90.7Very high146 Ų14658 Ų5855%0.55129%0.287SS*.Hα-helixtrans-70.2-36.3-174.3-64.6176.6171.9-170.20.6111.3F148 S230 R231 F237F148-R233 HydrophobicContact CB-CB 3.97Å; F148-R233 HydrophobicContact CD1-CB 3.99Å; F148-R233 HydrophobicContact CD1-CG 4.28Å; F148-R233 HydrophobicContact CG-CB 4.04Å; S230-R233 PolarHBondContact O-N 3.02Å; R231-R233 PolarHBondContact O-N 2.98Å; R233-F237 WeakPolarHBondContact O-CB 3.29Å; R233-F237 PolarHBondContact O-N 2.76Å; R233-F237 VanDerWaalsContact O-N 3.08Å
234L89.9Confident90.5Very high1 Ų152.5 Ų52.51%0.00526%0.258CS..Hα-helixtrans-66-49.8176.9-178.862.5000110.8L144 L172 F203 W229 S230 R231 E232 Y236 F237 L238 F248L144-L234 HydrophobicContact CD1-CD1 3.67Å; L172-L234 HydrophobicContact CB-CD2 4.01Å; L172-L234 HydrophobicContact CD2-CD2 3.47Å; L172-L234 VanDerWaalsContact CD2-CD2 3.47Å; L172-L234 HydrophobicContact CG-CD2 4.35Å; F203-L234 HydrophobicContact CE2-CD2 4.38Å; F203-L234 HydrophobicContact CZ-CD2 4.25Å; W229-L234 HydrophobicContact CB-CB 4.12Å; W229-L234 HydrophobicContact CB-CD2 4.09Å; W229-L234 HydrophobicContact CG-CD1 4.33Å; W229-L234 HydrophobicContact CG-CD2 4.4Å; S230-L234 VanDerWaalsContact O-CB 3.31Å; S230-L234 WeakPolarHBondContact O-CB 3.44Å; S230-L234 PolarHBondContact O-N 2.91Å; R231-L234 PolarHBondContact O-N 3.25Å; E232-L234 VanDerWaalsContact C-N 3.34Å; E232-L234 PolarHBondContact O-N 2.88Å; L234-Y236 PolarHBondContact O-N 3.21Å; L234-F237 PolarHBondContact O-N 2.84Å; L234-L238 HydrophobicContact CD1-CD1 4.08Å; L234-L238 HydrophobicContact CD1-CD2 4.47Å; L234-L238 HydrophobicContact CD1-CG 4.09Å; L234-L238 HydrophobicContact CG-CD1 3.9Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.8Å; L234-F248 HydrophobicContact CD1-CE1 4.18Å; L234-F248 HydrophobicContact CD1-CZ 4.22Å; L234-F248 HydrophobicContact CD2-CE1 4.16Å
235T89.4Confident90.5Very high49 Ų4954.3 Ų54.330%0.30127%0.267SS..Hα-helixtrans-59.3-47.5179.7-57.80000110.9R231 E232 F237 L238 E239R231-T235 WeakPolarHBondContact O-CB 3.25Å; R231-T235 PolarHBondContact O-N 3.11Å; R231-T235 PolarHBondContact O-OG1 2.63Å; E232-T235 PolarHBondContact O-N 2.93Å; T235-F237 VanDerWaalsContact C-N 3.3Å; T235-F237 PolarHBondContact O-N 3.35Å; T235-L238 PolarHBondContact O-N 2.95Å; T235-L238 VanDerWaalsContact O-N 3.16Å; T235-E239 HydrophobicContact CG2-CG 4.49Å; T235-E239 WeakPolarHBondContact O-CG 3.12Å; T235-E239 PolarHBondContact O-N 3.47Å
236Y89.8Confident90.5Very high172 Ų17256.5 Ų56.568%0.67528%0.278SS*.Hα-helixtrans-57.7-41.8176.2-178.3-97.8000112.7E232 L234 E239 S240E232-Y236 WeakPolarHBondContact O-CB 3.26Å; E232-Y236 PolarHBondContact O-N 2.93Å; L234-Y236 PolarHBondContact O-N 3.21Å; Y236-E239 PolarHBondContact O-N 3.49Å; Y236-S240 PolarHBondContact O-N 3.4Å
237F89.2Confident90.6Very high11 Ų1156.8 Ų56.85%0.04828%0.28CS..Hα-helixtrans-67.8-40.7177.4-172.6-100.2000112.3L140 R143 L144 F148 R233 L234 T235 S240 D241 L244L140-F237 HydrophobicContact CD1-CZ 4.24Å; R143-F237 HydrophobicContact CB-CZ 4.2Å; L144-F237 HydrophobicContact CB-CE1 3.92Å; L144-F237 HydrophobicContact CB-CZ 4.49Å; L144-F237 HydrophobicContact CD1-CD1 3.66Å; L144-F237 HydrophobicContact CD1-CE1 3.85Å; L144-F237 HydrophobicContact CG-CE1 4.5Å; F148-F237 HydrophobicContact CD2-CB 4.5Å; F148-F237 HydrophobicContact CD2-CD2 4.31Å; F148-F237 HydrophobicContact CD2-CG 4.5Å; F148-F237 HydrophobicContact CE2-CB 4.49Å; F148-F237 AromaticContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CD2 3.81Å; F148-F237 HydrophobicContact CE2-CE2 4.43Å; F148-F237 HydrophobicContact CE2-CG 4.39Å; R233-F237 WeakPolarHBondContact O-CB 3.29Å; R233-F237 PolarHBondContact O-N 2.76Å; R233-F237 VanDerWaalsContact O-N 3.08Å; L234-F237 PolarHBondContact O-N 2.84Å; T235-F237 VanDerWaalsContact C-N 3.3Å; T235-F237 PolarHBondContact O-N 3.35Å; F237-S240 PolarHBondContact O-N 2.87Å; F237-S240 PolarHBondContact O-OG 3.06Å; F237-D241 PolarHBondContact O-N 2.88Å; F237-L244 HydrophobicContact CD1-CD2 3.84Å; F237-L244 HydrophobicContact CE1-CD2 3.41Å; F237-L244 VanDerWaalsContact CE1-CD2 3.41Å
238L90.9Very high90.6Very high11 Ų1156.8 Ų56.86%0.05828%0.28CS..Hα-helixtrans-68.2-33.4176.9-65.5176.8000112.1L234 T235 S240 D241 L244 N245 F248L234-L238 HydrophobicContact CD1-CD1 4.08Å; L234-L238 HydrophobicContact CD1-CD2 4.47Å; L234-L238 HydrophobicContact CD1-CG 4.09Å; L234-L238 HydrophobicContact CG-CD1 3.9Å; L234-L238 HydrophobicContact CG-CG 4.29Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.8Å; T235-L238 PolarHBondContact O-N 2.95Å; T235-L238 VanDerWaalsContact O-N 3.16Å; L238-S240 VanDerWaalsContact C-N 3.25Å; L238-S240 PolarHBondContact O-N 3.33Å; L238-D241 CarbonylContact O-C 3.58Å; L238-D241 PolarHBondContact O-N 3.43Å; L238-L244 HydrophobicContact CD2-CB 4.2Å; L238-L244 HydrophobicContact CD2-CD2 3.88Å; L238-L244 HydrophobicContact CD2-CG 3.69Å; L238-N245 HydrophobicContact CB-CB 4.28Å; L238-N245 WeakPolarHBondContact O-CB 3.43Å; L238-F248 HydrophobicContact CD1-CB 4Å; L238-F248 HydrophobicContact CD1-CD1 4.1Å; L238-F248 HydrophobicContact CD1-CG 3.95Å; L238-F248 HydrophobicContact CD2-CB 4.17Å; L238-F248 HydrophobicContact CD2-CD2 3.59Å; L238-F248 HydrophobicContact CD2-CE2 4.1Å; L238-F248 HydrophobicContact CD2-CG 3.86Å
239E90.3Very high90.7Very high134 Ų13461.7 Ų61.763%0.62630%0.301SS*.Hα-helixtrans-64.8-32.1173.2-75.4175.8179.500112.2T235 Y236 D241T235-E239 HydrophobicContact CG2-CG 4.49Å; T235-E239 WeakPolarHBondContact O-CG 3.12Å; T235-E239 PolarHBondContact O-N 3.47Å; Y236-E239 PolarHBondContact O-N 3.49Å; E239-D241 VanDerWaalsContact C-N 3.33Å
240S90.4Very high90.8Very high85 Ų8567.5 Ų67.559%0.59432%0.324SS*.Hα-helixtrans-74-20.8177.178.30000114.3Y236 F237 L238Y236-S240 PolarHBondContact O-N 3.4Å; F237-S240 PolarHBondContact O-N 2.87Å; F237-S240 PolarHBondContact O-OG 3.06Å; L238-S240 VanDerWaalsContact C-N 3.25Å; L238-S240 PolarHBondContact O-N 3.33Å
241D89.6Confident91Very high39 Ų3966 Ų6621%0.20931%0.312CS..  trans-13199-177.5-170.5-39000110.8L140 F237 L238 E239 F243 L244 N245L140-D241 VanDerWaalsContact CD1-OD2 3.32Å; L140-D241 WeakPolarHBondContact CD1-OD2 3.43Å; L140-D241 WeakPolarHBondContact CD2-OD2 3.42Å; F237-D241 PolarHBondContact O-N 2.88Å; L238-D241 CarbonylContact O-C 3.58Å; L238-D241 PolarHBondContact O-N 3.43Å; E239-D241 VanDerWaalsContact C-N 3.33Å; D241-F243 VanDerWaalsContact C-N 3.29Å; D241-F243 PolarHBondContact O-N 3.14Å; D241-F243 WeakPolarHBondContact OD1-CB 3.19Å; D241-F243 PolarHBondContact OD1-N 3.48Å; D241-F243 VanDerWaalsContact OD1-N 3.12Å; D241-L244 HydrophobicContact CB-CB 4.07Å; D241-L244 PolarHBondContact O-N 2.71Å; D241-L244 PolarHBondContact OD1-N 2.97Å; D241-N245 WeakPolarHBondContact O-CB 3.12Å; D241-N245 PolarHBondContact O-N 3.34Å
242T91.7Very high91.3Very high113 Ų11365.8 Ų65.869%0.69331%0.312SS*.Hα-helixtrans-61.2-36-176.952.40000113N245 E246T242-N245 WeakPolarHBondContact O-CB 3.23Å; T242-N245 PolarHBondContact O-N 3.3Å; T242-E246 WeakPolarHBondContact O-CG 3.48Å; T242-E246 PolarHBondContact O-N 3.34Å; T242-E246 VanDerWaalsContact O-N 3.16Å
243F92.3Very high91.6Very high92 Ų9261.2 Ų61.240%0.40430%0.295SS..Hα-helixtrans-66.2-47.6178.8167.7-103.4000110.7L134 V136 L140 D241 N245 E246 V247L134-F243 WeakPolarHBondContact O-CZ 3.4Å; V136-F243 HydrophobicContact CB-CE1 4.44Å; V136-F243 HydrophobicContact CG2-CE1 3.9Å; V136-F243 HydrophobicContact CG2-CZ 4.18Å; L140-F243 HydrophobicContact CD2-CD1 4.3Å; D241-F243 VanDerWaalsContact C-N 3.29Å; D241-F243 PolarHBondContact O-N 3.14Å; D241-F243 WeakPolarHBondContact OD1-CB 3.19Å; D241-F243 PolarHBondContact OD1-N 3.48Å; D241-F243 VanDerWaalsContact OD1-N 3.12Å; F243-N245 VanDerWaalsContact C-N 3.29Å; F243-N245 PolarHBondContact O-N 2.96Å; F243-E246 PolarHBondContact O-N 2.91Å; F243-V247 HydrophobicContact CD2-CG2 4.49Å; F243-V247 HydrophobicContact CE1-CG2 4.22Å; F243-V247 HydrophobicContact CE2-CG2 4.06Å; F243-V247 HydrophobicContact CZ-CG2 3.92Å; F243-V247 WeakPolarHBondContact O-CG2 3.48Å; F243-V247 PolarHBondContact O-N 3.3Å
244L91.4Very high91.8Very high0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-66.2-35.2179.4-167.164.3000112V136 L140 L144 F237 L238 D241 V247 F248V136-L244 HydrophobicContact CG1-CD1 4.26Å; L140-L244 HydrophobicContact CD2-CB 4.26Å; L140-L244 HydrophobicContact CD2-CD1 4.23Å; L140-L244 HydrophobicContact CD2-CD2 4.45Å; L140-L244 HydrophobicContact CG-CD2 4.35Å; L144-L244 HydrophobicContact CD1-CD2 4.26Å; L144-L244 HydrophobicContact CD2-CD2 4.34Å; F237-L244 HydrophobicContact CD1-CD2 3.84Å; F237-L244 HydrophobicContact CE1-CD2 3.41Å; F237-L244 VanDerWaalsContact CE1-CD2 3.41Å; L238-L244 HydrophobicContact CD2-CB 4.2Å; L238-L244 HydrophobicContact CD2-CD2 3.88Å; L238-L244 HydrophobicContact CD2-CG 3.69Å; D241-L244 HydrophobicContact CB-CB 4.07Å; D241-L244 PolarHBondContact O-N 2.71Å; D241-L244 PolarHBondContact OD1-N 2.97Å; L244-V247 PolarHBondContact O-N 2.75Å; L244-F248 HydrophobicContact CD1-CD2 4.1Å; L244-F248 HydrophobicContact CD1-CE2 4.09Å; L244-F248 HydrophobicContact CG-CD2 3.99Å; L244-F248 HydrophobicContact CG-CE2 4.15Å; L244-F248 WeakPolarHBondContact O-CD2 3.49Å; L244-F248 PolarHBondContact O-N 3.39Å
245N93.1Very high91.9Very high39 Ų3959.7 Ų59.721%0.20929%0.293CS..Hα-helixtrans-57.7-50.4174.3-162.2-14.3000111.7L238 D241 T242 F243 V247 F248 K249L238-N245 HydrophobicContact CB-CB 4.28Å; L238-N245 WeakPolarHBondContact O-CB 3.43Å; D241-N245 WeakPolarHBondContact O-CB 3.12Å; D241-N245 PolarHBondContact O-N 3.34Å; T242-N245 WeakPolarHBondContact O-CB 3.23Å; T242-N245 PolarHBondContact O-N 3.3Å; F243-N245 VanDerWaalsContact C-N 3.29Å; F243-N245 PolarHBondContact O-N 2.96Å; N245-V247 VanDerWaalsContact C-N 3.34Å; N245-V247 PolarHBondContact O-N 3.5Å; N245-F248 PolarHBondContact O-N 3.32Å; N245-K249 WeakPolarHBondContact O-CG 3.05Å; N245-K249 PolarHBondContact O-N 2.99Å; N245-K249 VanDerWaalsContact OD1-CE 3.26Å; N245-K249 WeakPolarHBondContact OD1-CE 3.44Å
246E94Very high92Very high110 Ų11058.4 Ų58.451%0.51428%0.284SS..Hα-helixtrans-63.5-39.7177.7-68.2-52.3128.500112.2T242 F243 F248 K249 Y250T242-E246 WeakPolarHBondContact O-CG 3.48Å; T242-E246 PolarHBondContact O-N 3.34Å; T242-E246 VanDerWaalsContact O-N 3.16Å; F243-E246 PolarHBondContact O-N 2.91Å; E246-F248 VanDerWaalsContact C-N 3.35Å; E246-F248 PolarHBondContact O-N 3.41Å; E246-K249 PolarHBondContact O-N 3.21Å; E246-K249 IonicContact OE1-NZ 3.46Å; E246-K249 PolarHBondContact OE1-NZ 2.98Å; E246-Y250 WeakPolarHBondContact O-CB 3.07Å; E246-Y250 PolarHBondContact O-N 3.47Å
247V94Very high92.1Very high11 Ų1153.2 Ų53.27%0.06727%0.271CS..Hα-helixtrans-59.3-45.4173.2166.20000111.4F131 L134 V136 F243 L244 N245 Y250 L251F131-V247 HydrophobicContact CD1-CG1 4.41Å; L134-V247 HydrophobicContact CB-CG1 4.39Å; L134-V247 HydrophobicContact CB-CG2 4.34Å; L134-V247 HydrophobicContact CD1-CG1 3.75Å; V136-V247 HydrophobicContact CG2-CB 4.46Å; V136-V247 HydrophobicContact CG2-CG1 3.88Å; V136-V247 HydrophobicContact CG2-CG2 4.06Å; F243-V247 HydrophobicContact CD2-CG2 4.49Å; F243-V247 HydrophobicContact CE1-CG2 4.22Å; F243-V247 HydrophobicContact CE2-CG2 4.06Å; F243-V247 HydrophobicContact CZ-CG2 3.92Å; F243-V247 WeakPolarHBondContact O-CG2 3.48Å; F243-V247 PolarHBondContact O-N 3.3Å; L244-V247 PolarHBondContact O-N 2.75Å; N245-V247 VanDerWaalsContact C-N 3.34Å; N245-V247 PolarHBondContact O-N 3.5Å; V247-Y250 PolarHBondContact O-N 3.4Å; V247-L251 HydrophobicContact CG1-CD1 3.82Å; V247-L251 HydrophobicContact CG1-CG 4.3Å; V247-L251 WeakPolarHBondContact O-CB 3.48Å; V247-L251 VanDerWaalsContact O-CG 3.28Å; V247-L251 WeakPolarHBondContact O-CG 3.06Å; V247-L251 PolarHBondContact O-N 2.99Å
248F93.4Very high92.1Very high1 Ų156.7 Ų56.70%0.00429%0.29CS..Hα-helixtrans-65-44.2178.1-99.9-100.9000112.3F131 L144 L172 W229 L234 L238 L244 N245 E246 Y250 L251 I252F131-F248 HydrophobicContact CE1-CD2 4.42Å; F131-F248 AromaticContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CE2 3.75Å; F131-F248 HydrophobicContact CE1-CZ 4.22Å; F131-F248 HydrophobicContact CZ-CE2 4.19Å; F131-F248 HydrophobicContact CZ-CZ 4.19Å; L144-F248 HydrophobicContact CD1-CZ 4.46Å; L144-F248 HydrophobicContact CD2-CE2 3.64Å; L144-F248 HydrophobicContact CD2-CZ 3.75Å; L172-F248 HydrophobicContact CD2-CD1 4.29Å; L172-F248 HydrophobicContact CD2-CE1 4.05Å; W229-F248 HydrophobicContact CH2-CZ 4.3Å; L234-F248 HydrophobicContact CD1-CE1 4.18Å; L234-F248 HydrophobicContact CD1-CZ 4.22Å; L234-F248 HydrophobicContact CD2-CE1 4.16Å; L238-F248 HydrophobicContact CD1-CB 4Å; L238-F248 HydrophobicContact CD1-CD1 4.1Å; L238-F248 HydrophobicContact CD1-CG 3.95Å; L238-F248 HydrophobicContact CD2-CB 4.17Å; L238-F248 HydrophobicContact CD2-CD2 3.59Å; L238-F248 HydrophobicContact CD2-CE2 4.1Å; L238-F248 HydrophobicContact CD2-CG 3.86Å; L244-F248 HydrophobicContact CD1-CD2 4.1Å; L244-F248 HydrophobicContact CD1-CE2 4.09Å; L244-F248 HydrophobicContact CG-CD2 3.99Å; L244-F248 HydrophobicContact CG-CE2 4.15Å; L244-F248 WeakPolarHBondContact O-CD2 3.49Å; L244-F248 PolarHBondContact O-N 3.39Å; N245-F248 PolarHBondContact O-N 3.32Å; E246-F248 VanDerWaalsContact C-N 3.35Å; E246-F248 PolarHBondContact O-N 3.41Å; F248-Y250 VanDerWaalsContact C-N 3.3Å; F248-Y250 PolarHBondContact O-N 3.2Å; F248-L251 PolarHBondContact O-N 3.2Å; F248-I252 HydrophobicContact CD1-CD1 4.35Å; F248-I252 WeakPolarHBondContact O-CB 3.26Å; F248-I252 VanDerWaalsContact O-CG1 3.3Å; F248-I252 WeakPolarHBondContact O-CG1 3.49Å; F248-I252 PolarHBondContact O-N 3.28Å
249K91.8Very high92Very high111 Ų11156.9 Ų56.948%0.48329%0.29SS..Hα-helixtrans-56.3-46174.3-72.2174-173.1166.60111.3N245 E246 G253N245-K249 WeakPolarHBondContact O-CG 3.05Å; N245-K249 PolarHBondContact O-N 2.99Å; N245-K249 VanDerWaalsContact OD1-CE 3.26Å; N245-K249 WeakPolarHBondContact OD1-CE 3.44Å; E246-K249 PolarHBondContact O-N 3.21Å; E246-K249 IonicContact OE1-NZ 3.46Å; E246-K249 PolarHBondContact OE1-NZ 2.98Å; K249-G253 PolarHBondContact O-N 3.35Å
250Y94.1Very high91.9Very high123 Ų12355 Ų5548%0.48228%0.284SS..Hα-helixtrans-61.8-48.8175.8170-96.3000112L134 E246 V247 F248 G253 K254L134-Y250 HydrophobicContact CD1-CD1 3.7Å; L134-Y250 HydrophobicContact CD1-CE1 3.96Å; L134-Y250 HydrophobicContact CD2-CD1 3.98Å; L134-Y250 HydrophobicContact CD2-CE1 3.78Å; L134-Y250 HydrophobicContact CG-CE1 4.46Å; E246-Y250 WeakPolarHBondContact O-CB 3.07Å; E246-Y250 PolarHBondContact O-N 3.47Å; V247-Y250 PolarHBondContact O-N 3.4Å; F248-Y250 VanDerWaalsContact C-N 3.3Å; F248-Y250 PolarHBondContact O-N 3.2Å; Y250-G253 PolarHBondContact O-N 2.98Å; Y250-K254 HydrophobicContact CE1-CD 4.11Å; Y250-K254 VanDerWaalsContact O-CB 3.29Å; Y250-K254 WeakPolarHBondContact O-CB 3.2Å; Y250-K254 PolarHBondContact O-N 2.97Å
251L93.9Very high91.6Very high9 Ų957.9 Ų57.95%0.04728%0.283CS..Hα-helixtrans-62.5-44.7-178-76.4175.4000112.3M130 F131 L134 F197 V247 F248 K254 D255M130-L251 HydrophobicContact CB-CD2 4.32Å; M130-L251 HydrophobicContact CE-CD2 4.23Å; F131-L251 HydrophobicContact CD1-CD1 4.1Å; F131-L251 HydrophobicContact CE1-CD1 3.67Å; F131-L251 HydrophobicContact CE2-CD1 4.48Å; F131-L251 HydrophobicContact CZ-CD1 3.89Å; L134-L251 HydrophobicContact CD1-CD1 4.23Å; L134-L251 HydrophobicContact CD1-CD2 3.67Å; L134-L251 HydrophobicContact CD1-CG 3.78Å; F197-L251 HydrophobicContact CE2-CB 4.04Å; F197-L251 HydrophobicContact CZ-CB 4.45Å; V247-L251 HydrophobicContact CG1-CD1 3.82Å; V247-L251 HydrophobicContact CG1-CG 4.3Å; V247-L251 WeakPolarHBondContact O-CB 3.48Å; V247-L251 VanDerWaalsContact O-CG 3.28Å; V247-L251 WeakPolarHBondContact O-CG 3.06Å; V247-L251 PolarHBondContact O-N 2.99Å; F248-L251 PolarHBondContact O-N 3.2Å; L251-K254 PolarHBondContact O-N 2.92Å; L251-D255 WeakPolarHBondContact O-CB 3.37Å; L251-D255 PolarHBondContact O-N 3.28Å
252I93.1Very high91.1Very high11 Ų1159 Ų596%0.05629%0.291CS..Hα-helixtrans-64.3-46.6176.3-68.9164.5000110L172 F197 F203 R204 F248 K254 D255 I256L172-I252 HydrophobicContact CD2-CD1 4.29Å; F197-I252 HydrophobicContact CZ-CG1 4.33Å; F203-I252 HydrophobicContact CD1-CD1 3.71Å; F203-I252 HydrophobicContact CE1-CD1 3.78Å; R204-I252 HydrophobicContact CB-CG2 4.21Å; F248-I252 HydrophobicContact CD1-CD1 4.35Å; F248-I252 WeakPolarHBondContact O-CB 3.26Å; F248-I252 VanDerWaalsContact O-CG1 3.3Å; F248-I252 WeakPolarHBondContact O-CG1 3.49Å; F248-I252 PolarHBondContact O-N 3.28Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.01Å; I252-D255 PolarHBondContact O-N 2.93Å; I252-I256 HydrophobicContact CG2-CD1 3.72Å; I252-I256 HydrophobicContact CG2-CG1 4.39Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3Å; I252-I256 PolarHBondContact O-N 3.38Å
253G92.6Very high90.4Very high17 Ų1757.2 Ų57.218%0.17528%0.277CS..Hα-helixtrans-59.9-43.2177.900000112.8K249 Y250 T257K249-G253 PolarHBondContact O-N 3.35Å; Y250-G253 PolarHBondContact O-N 2.98Å; G253-T257 WeakPolarHBondContact O-CB 3.14Å; G253-T257 PolarHBondContact O-N 3.24Å; G253-T257 PolarHBondContact O-OG1 2.99Å
254K92.5Very high89.4Confident102 Ų10258 Ų5844%0.44329%0.286SS..Hα-helixtrans-61-45.6174.8176.9-179.9174.4176.60111.6Y250 L251 I252 T257 N258Y250-K254 HydrophobicContact CE1-CD 4.11Å; Y250-K254 VanDerWaalsContact O-CB 3.29Å; Y250-K254 WeakPolarHBondContact O-CB 3.2Å; Y250-K254 PolarHBondContact O-N 2.97Å; L251-K254 PolarHBondContact O-N 2.92Å; I252-K254 VanDerWaalsContact C-N 3.34Å; I252-K254 PolarHBondContact O-N 3.01Å; K254-T257 PolarHBondContact O-N 3.43Å; K254-N258 VanDerWaalsContact O-CG 3.25Å; K254-N258 PolarHBondContact O-N 3.25Å; K254-N258 PolarHBondContact O-ND2 3.22Å
255D93.3Very high88.2Confident13 Ų1361.6 Ų61.67%0.0730%0.304CS..Hα-helixtrans-65.4-46.4-179.1-173.192.5000112S196 F197 S200 L251 I252 T257 N258 K259S196-D255 PolarHBondContact OG-OD1 3.12Å; F197-D255 HydrophobicContact CD2-CB 3.92Å; F197-D255 PolarHBondContact N-OD1 3.35Å; S200-D255 PolarHBondContact OG-OD2 3.4Å; L251-D255 WeakPolarHBondContact O-CB 3.37Å; L251-D255 PolarHBondContact O-N 3.28Å; I252-D255 PolarHBondContact O-N 2.93Å; D255-T257 VanDerWaalsContact C-N 3.3Å; D255-T257 PolarHBondContact O-N 2.85Å; D255-N258 PolarHBondContact O-N 2.91Å; D255-K259 WeakPolarHBondContact O-CG 3.49Å; D255-K259 PolarHBondContact O-N 3.43Å; D255-K259 WeakPolarHBondContact OD2-CE 3.08Å; D255-K259 IonicContact OD2-NZ 3.67Å; D255-K259 PolarHBondContact OD2-NZ 3.47Å; D255-K259 VanDerWaalsContact OD2-NZ 3.13Å
256I91.4Very high86.3Confident22 Ų2263.8 Ų63.811%0.11332%0.321CS..Hα-helixtrans-56.7-46.6174.2-67167.5000110.5P201 R204 I252 N258 K259 L260P201-I256 HydrophobicContact CG-CG1 4.33Å; R204-I256 HydrophobicContact CB-CD1 3.89Å; R204-I256 VanDerWaalsContact CD-CD1 3.44Å; R204-I256 HydrophobicContact CG-CD1 4.3Å; I252-I256 HydrophobicContact CG2-CD1 3.72Å; I252-I256 HydrophobicContact CG2-CG1 4.39Å; I252-I256 VanDerWaalsContact O-CG1 3.3Å; I252-I256 WeakPolarHBondContact O-CG1 3Å; I252-I256 PolarHBondContact O-N 3.38Å; I256-N258 VanDerWaalsContact C-N 3.34Å; I256-N258 PolarHBondContact O-N 3.22Å; I256-K259 PolarHBondContact O-N 3.44Å; I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 HydrophobicContact CG2-CG 4.4Å; I256-L260 WeakPolarHBondContact O-CG 3.13Å; I256-L260 PolarHBondContact O-N 3.33Å
257T91.1Very high84.3Confident63 Ų6362.8 Ų62.839%0.38732%0.323SS..Hα-helixtrans-60.3-44.6179.6-58.40000111.2G253 K254 D255 K259 L260 Y261G253-T257 WeakPolarHBondContact O-CB 3.14Å; G253-T257 PolarHBondContact O-N 3.24Å; G253-T257 PolarHBondContact O-OG1 2.99Å; K254-T257 PolarHBondContact O-N 3.43Å; D255-T257 VanDerWaalsContact C-N 3.3Å; D255-T257 PolarHBondContact O-N 2.85Å; T257-K259 PolarHBondContact O-N 2.07Å; T257-L260 PolarHBondContact O-N 3.33Å; T257-Y261 HydrophobicContact CG2-CD2 3.7Å; T257-Y261 HydrophobicContact CG2-CE2 3.45Å; T257-Y261 VanDerWaalsContact CG2-CE2 3.45Å; T257-Y261 WeakPolarHBondContact O-CD2 3.41Å; T257-Y261 PolarHBondContact O-N 3.15Å
258N88.6Confident82.3Confident84 Ų8466.5 Ų66.545%0.44934%0.341SS..Hα-helixtrans-63.3-40.4177-71.6-18.5000112.7K254 D255 I256 Y261 T262K254-N258 VanDerWaalsContact O-CG 3.25Å; K254-N258 PolarHBondContact O-N 3.25Å; K254-N258 PolarHBondContact O-ND2 3.22Å; D255-N258 PolarHBondContact O-N 2.91Å; I256-N258 VanDerWaalsContact C-N 3.34Å; I256-N258 PolarHBondContact O-N 3.22Å; N258-Y261 PolarHBondContact O-N 3.44Å; N258-T262 PolarHBondContact O-N 3.45Å; N258-T262 PolarHBondContact O-OG1 2.96Å
259K90.3Very high80.1Confident16 Ų1669.5 Ų69.57%0.0736%0.363CS..Hα-helixtrans-62.9-44.3174.8-71.9174.2176174.40111.2F197 I198 S200 P201 D255 I256 T257 Y261 T262 L263F197-K259 VanDerWaalsContact O-CE 3.32Å; F197-K259 WeakPolarHBondContact O-CE 3.35Å; F197-K259 PolarHBondContact O-NZ 3.4Å; I198-K259 PolarHBondContact O-NZ 2.97Å; I198-K259 VanDerWaalsContact O-NZ 3.12Å; S200-K259 PolarHBondContact OG-NZ 3.32Å; P201-K259 HydrophobicContact CG-CD 4.39Å; D255-K259 WeakPolarHBondContact O-CG 3.49Å; D255-K259 PolarHBondContact O-N 3.43Å; D255-K259 WeakPolarHBondContact OD2-CE 3.08Å; D255-K259 IonicContact OD2-NZ 3.67Å; D255-K259 PolarHBondContact OD2-NZ 3.47Å; D255-K259 VanDerWaalsContact OD2-NZ 3.13Å; I256-K259 PolarHBondContact O-N 3.44Å; T257-K259 PolarHBondContact O-N 2.07Å; K259-Y261 PolarHBondContact O-N 2.86Å; K259-T262 WeakPolarHBondContact O-CB 3.5Å; K259-T262 PolarHBondContact O-N 3.24Å; K259-L263 WeakPolarHBondContact O-CG 3.5Å; K259-L263 PolarHBondContact O-N 3.05Å; K259-L263 VanDerWaalsContact O-N 3.09Å
260L86.8Confident77.9Confident94 Ų9468.8 Ų68.849%0.49236%0.364SS..Hα-helixtrans-62.1-41.4176-71.1174000112.6I256 T257 T262 L263 N264I256-L260 HydrophobicContact CG2-CD1 4.04Å; I256-L260 HydrophobicContact CG2-CG 4.4Å; I256-L260 WeakPolarHBondContact O-CG 3.13Å; I256-L260 PolarHBondContact O-N 3.33Å; T257-L260 PolarHBondContact O-N 3.33Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 3.18Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-N264 WeakPolarHBondContact O-CB 3.35Å; L260-N264 PolarHBondContact O-N 2.8Å; L260-N264 VanDerWaalsContact O-N 3.09Å; L260-N264 PolarHBondContact O-ND2 3.46Å
261Y83.9Confident75.4Confident145 Ų14570.6 Ų70.657%0.56937%0.374SS*.Hα-helixtrans-62.6-38.8174.4-84.1-64.8000112.2T257 N258 K259 L263 N264 D265T257-Y261 HydrophobicContact CG2-CD2 3.7Å; T257-Y261 HydrophobicContact CG2-CE2 3.45Å; T257-Y261 VanDerWaalsContact CG2-CE2 3.45Å; T257-Y261 WeakPolarHBondContact O-CD2 3.41Å; T257-Y261 PolarHBondContact O-N 3.15Å; N258-Y261 PolarHBondContact O-N 3.44Å; K259-Y261 PolarHBondContact O-N 2.86Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.94Å; Y261-N264 PolarHBondContact O-N 3.03Å; Y261-D265 PolarHBondContact O-N 2.92Å
262T80.6Confident73.2Confident62 Ų6273.3 Ų73.338%0.3840%0.398SS..Hα-helixtrans-65.5-33.4177.9-53.80000112.1H190 N258 K259 L260H190-T262 HydrophobicContact CB-CG2 3.89Å; N258-T262 PolarHBondContact O-N 3.45Å; N258-T262 PolarHBondContact O-OG1 2.96Å; K259-T262 WeakPolarHBondContact O-CB 3.5Å; K259-T262 PolarHBondContact O-N 3.24Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 3.18Å
263L75.5Confident70.9Confident77 Ų7777 Ų7740%0.40342%0.421SS..Hα-helixtrans-73.7-30.5175.4-67.2173000112.9L189 H190 K259 L260 Y261L189-L263 HydrophobicContact CB-CD2 3.85Å; L189-L263 HydrophobicContact CD2-CD2 4.17Å; L189-L263 HydrophobicContact CG-CD2 4.49Å; H190-L263 HydrophobicContact CB-CD2 4.36Å; K259-L263 WeakPolarHBondContact O-CG 3.5Å; K259-L263 PolarHBondContact O-N 3.05Å; K259-L263 VanDerWaalsContact O-N 3.09Å; L260-L263 PolarHBondContact O-N 2.89Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.94Å
264N70.9Confident68.3Low109 Ų10984.3 Ų84.358%0.58345%0.448SS*.Hα-helixtrans-90.5-1.2-176.9-75.6-34.1000114L260 Y261 P266L260-N264 WeakPolarHBondContact O-CB 3.35Å; L260-N264 PolarHBondContact O-N 2.8Å; L260-N264 VanDerWaalsContact O-N 3.09Å; L260-N264 PolarHBondContact O-ND2 3.46Å; Y261-N264 PolarHBondContact O-N 3.03Å; N264-P266 VanDerWaalsContact O-CD 3.23Å; N264-P266 WeakPolarHBondContact O-CD 3.33Å
265D67.5Low65.7Low74 Ų7489 Ų8940%0.39647%0.468SS..  trans-71.7112.4179.2-162.7-35.2000110.5Y261 T267 L268Y261-D265 PolarHBondContact O-N 2.92Å; D265-T267 PolarHBondContact O-N 2.91Å; D265-T267 VanDerWaalsContact O-N 3.07Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.85Å; D265-L268 PolarHBondContact O-N 3.4Å
266P53.7Low63.3Low86 Ų8695 Ų9556%0.55850%0.498SS*.Hα-helixtrans-65.6-14.2-173.125.4-33000113.5N264 L268 S269 D270N264-P266 VanDerWaalsContact O-CD 3.23Å; N264-P266 WeakPolarHBondContact O-CD 3.33Å; P266-L268 VanDerWaalsContact C-N 3.31Å; P266-L268 PolarHBondContact O-N 2.93Å; P266-S269 PolarHBondContact O-OG 3.41Å; P266-D270 PolarHBondContact O-N 3.34Å
267T52Low60.7Low89 Ų89101.2 Ų101.255%0.54653%0.531SS..Hα-helixtrans-74.8-18.6179.260.60000113.8D265D265-T267 PolarHBondContact O-N 2.91Å; D265-T267 VanDerWaalsContact O-N 3.07Å; D265-T267 PolarHBondContact OD1-N 3.29Å; D265-T267 PolarHBondContact OD1-OG1 2.85Å
268L50.3Low58.2Low88 Ų88109.3 Ų109.346%0.46156%0.555SS.*Hα-helixtrans-91.3-32.6175.8-67.2179.1000112.6D265 P266 D270 K271 A272D265-L268 PolarHBondContact O-N 3.4Å; P266-L268 VanDerWaalsContact C-N 3.31Å; P266-L268 PolarHBondContact O-N 2.93Å; L268-D270 VanDerWaalsContact C-N 3.31Å; L268-K271 PolarHBondContact O-N 3.09Å; L268-A272 PolarHBondContact O-N 2.97Å
269S48.3Very low55.6Low65 Ų65113.6 Ų113.646%0.45557%0.572SS.*Hα-helixtrans-65.4-37.5170.964.60000110.9P266 K271 A272 V273P266-S269 PolarHBondContact O-OG 3.41Å; S269-K271 VanDerWaalsContact C-N 3.33Å; S269-K271 PolarHBondContact O-N 2.93Å; S269-A272 WeakPolarHBondContact O-CB 3.46Å; S269-A272 PolarHBondContact O-N 3.04Å; S269-A272 VanDerWaalsContact O-N 3.11Å; S269-V273 VanDerWaalsContact O-CG2 3.26Å; S269-V273 WeakPolarHBondContact O-CG2 3.29Å; S269-V273 PolarHBondContact O-N 3.31Å
270D45.3Very low53.1Low95 Ų95119.3 Ų119.351%0.50861%0.61SS.*Hα-helixtrans-64.8-30.8178.3-109.22.1000114.1P266 L268 K274P266-D270 PolarHBondContact O-N 3.34Å; L268-D270 VanDerWaalsContact C-N 3.31Å; D270-K274 VanDerWaalsContact O-CB 3.32Å; D270-K274 WeakPolarHBondContact O-CB 3.32Å; D270-K274 PolarHBondContact O-N 3.5Å
271K40.8Very low50.7Low161 Ų161119.1 Ų119.170%0.762%0.617SS**Hα-helixtrans-77.2-26.2174.2-73.5-171.3179.1179.40112.9L268 S269L268-K271 PolarHBondContact O-N 3.09Å; S269-K271 VanDerWaalsContact C-N 3.33Å; S269-K271 PolarHBondContact O-N 2.93Å
272A47.7Very low48.6Very low66 Ų66120.5 Ų120.555%0.54563%0.633SS.*Hα-helixtrans-74.5-38.5169.600000111L268 S269 K275L268-A272 PolarHBondContact O-N 2.97Å; S269-A272 WeakPolarHBondContact O-CB 3.46Å; S269-A272 PolarHBondContact O-N 3.04Å; S269-A272 VanDerWaalsContact O-N 3.11Å; A272-K275 PolarHBondContact O-N 2.68Å
273V45.1Very low46.7Very low89 Ų89121.6 Ų121.654%0.53964%0.643SS.*Hα-helixtrans-69.5-40.1176.1173.70000111.7S269 K275 M276S269-V273 VanDerWaalsContact O-CG2 3.26Å; S269-V273 WeakPolarHBondContact O-CG2 3.29Å; S269-V273 PolarHBondContact O-N 3.31Å; V273-K275 PolarHBondContact O-N 3.45Å; V273-M276 WeakPolarHBondContact O-CB 3.31Å; V273-M276 PolarHBondContact O-N 3.42Å
274K37.9Very low44.9Very low170 Ų170123.4 Ų123.474%0.73966%0.662SS**THydrogen-bonded Turntrans-67.4-15.6175.7-88.4-178.2173.9174.70115D270 M276D270-K274 VanDerWaalsContact O-CB 3.32Å; D270-K274 WeakPolarHBondContact O-CB 3.32Å; D270-K274 PolarHBondContact O-N 3.5Å; K274-M276 VanDerWaalsContact C-N 3.3Å
275K38Very low43.5Very low201 Ų201126.1 Ų126.187%0.87467%0.671SS**THydrogen-bonded Turntrans-88.1-0.7171.4-124.1-174.7-177.9-173.40112.9A272 V273A272-K275 PolarHBondContact O-N 2.68Å; V273-K275 PolarHBondContact O-N 3.45Å
276M43.6Very low42.3Very low139 Ų139128.1 Ų128.169%0.68568%0.681SS**  trans-111.122.2-174.3-134.7167.383.400113V273 K274 R278V273-M276 WeakPolarHBondContact O-CB 3.31Å; V273-M276 PolarHBondContact O-N 3.42Å; K274-M276 VanDerWaalsContact C-N 3.3Å; M276-R278 PolarHBondContact O-N 3.2Å
277D37.3Very low42.3Very low153 Ų153127 Ų12782%0.81868%0.675SS**  trans-78.168.7164.9-101.6-26.9000110.3
278R37.9Very low42.3Very low233 Ų233129.8 Ų129.888%0.87968%0.684SS**SBendtrans-161.795.2149.1-109.6171.3-178.3147.91.4108.4M276M276-R278 PolarHBondContact O-N 3.2Å
279Q34Very low42.2Very low174 Ų174132.2 Ų132.281%0.81370%0.695SS**  trans82.6121.3164.2-126.5142.6-42.100117.1S281Q279-S281 PolarHBondContact O-N 3.18Å
280P36.8Very low42.3Very low135 Ų135134 Ų13488%0.87770%0.696SS**  trans-81.3113.3-179.332-29.7000109.8
281S36.5Very low42.5Very low90 Ų90135.1 Ų135.163%0.62970%0.699SS**  trans-100.5134.6162.161.70000109.5Q279 C283Q279-S281 PolarHBondContact O-N 3.18Å; S281-C283 PolarHBondContact O-N 3.11Å
282L39.9Very low43.2Very low174 Ų174136.7 Ų136.791%0.91170%0.701SS**THydrogen-bonded Turntrans-53.145.6-178.4-79.8150.2000116.6
283C40.6Very low43.2Very low85 Ų85138.6 Ų138.657%0.57470%0.702SS**THydrogen-bonded Turntrans-118.8-3.9179.2-144.10000113.3S281 Q285S281-C283 PolarHBondContact O-N 3.11Å; C283-Q285 PolarHBondContact O-N 2.97Å
284S39.2Very low43.3Very low115 Ų115137.3 Ų137.380%0.80470%0.697SS**THydrogen-bonded Turntrans-75.1-1.517251.10000114
285Q41.8Very low44Very low166 Ų166135.4 Ų135.478%0.77669%0.692SS**THydrogen-bonded Turntrans-96.25.2175.1-71.3-151.6-16.700114.8C283 S287C283-Q285 PolarHBondContact O-N 2.97Å; Q285-S287 PolarHBondContact O-N 3.09Å
286L40.9Very low44.5Very low117 Ų117129.1 Ų129.161%0.61368%0.677SS**  trans-73.577.3165.2-98.8136.4000109.6Q290L286-Q290 HydrophobicContact CD2-CB 3.93Å; L286-Q290 VanDerWaalsContact CG-OE1 3.29Å
287S53.9Low44.5Very low61 Ų61126.7 Ų126.743%0.42767%0.674SS.*  trans-51.8141.7170.8162.80000110.1Q285 M289 Q290Q285-S287 PolarHBondContact O-N 3.09Å; S287-M289 PolarHBondContact O-N 3.03Å; S287-M289 WeakPolarHBondContact OG-CB 3.19Å; S287-M289 PolarHBondContact OG-N 3.28Å; S287-Q290 PolarHBondContact O-N 3.43Å
288M51.8Low44.9Very low149 Ų149125.2 Ų125.273%0.73467%0.671SS**Hα-helixtrans-51.4-15.8171.9-69.5-161.5-77.300113.7M291 R292M288-M291 PolarHBondContact O-N 2.88Å; M288-R292 WeakPolarHBondContact O-CB 3.5Å; M288-R292 PolarHBondContact O-N 3.07Å
289M48Very low45.1Very low139 Ų139117.5 Ų117.569%0.68565%0.653SS**Hα-helixtrans-61.6-37.8168.4-74.4168.1144.500113.3S287 R292 N293S287-M289 PolarHBondContact O-N 3.03Å; S287-M289 WeakPolarHBondContact OG-CB 3.19Å; S287-M289 PolarHBondContact OG-N 3.28Å; M289-R292 PolarHBondContact O-N 3.31Å; M289-N293 VanDerWaalsContact O-CB 3.3Å; M289-N293 WeakPolarHBondContact O-CB 3.41Å; M289-N293 PolarHBondContact O-N 2.87Å; M289-N293 PolarHBondContact O-ND2 3.14Å; M289-N293 PolarHBondContact O-OD1 3.43Å
290Q52.1Low45.7Very low102 Ų102117.6 Ų117.648%0.47766%0.659SS.*Hα-helixtrans-71.7-31.8176.6-81172.1-44.700112.2L286 S287 S294L286-Q290 HydrophobicContact CD2-CB 3.93Å; L286-Q290 VanDerWaalsContact CG-OE1 3.29Å; S287-Q290 PolarHBondContact O-N 3.43Å; Q290-S294 WeakPolarHBondContact O-CB 3.36Å; Q290-S294 PolarHBondContact O-N 2.92Å; Q290-S294 PolarHBondContact O-OG 3.48Å
291M49.5Very low46.1Very low118 Ų118114.8 Ų114.858%0.58164%0.639SS**Hα-helixtrans-71.9-38.6173.8-159-166.8-68.200111.5M288 S294 M295M288-M291 PolarHBondContact O-N 2.88Å; M291-S294 WeakPolarHBondContact CA-OG 3.14Å; M291-S294 PolarHBondContact O-OG 3.34Å; M291-S294 VanDerWaalsContact O-OG 3.1Å; M291-M295 WeakPolarHBondContact O-CG 3.4Å; M291-M295 PolarHBondContact O-N 2.82Å; M291-M295 VanDerWaalsContact O-N 3.16Å
292R53.9Low46.3Very low195 Ų195117.5 Ų117.574%0.73665%0.647SS**Hα-helixtrans-67.3-37.7174.1-163.4173.4-172.2150.40.6112.3M288 M289 A296M288-R292 WeakPolarHBondContact O-CB 3.5Å; M288-R292 PolarHBondContact O-N 3.07Å; M289-R292 PolarHBondContact O-N 3.31Å; R292-A296 PolarHBondContact O-N 3.43Å
293N48.7Very low46.5Very low106 Ų106116 Ų11657%0.56764%0.639SS**Hα-helixtrans-72.1-36.5176.7-72.6-5000112.5M289 A296 S297M289-N293 VanDerWaalsContact O-CB 3.3Å; M289-N293 WeakPolarHBondContact O-CB 3.41Å; M289-N293 PolarHBondContact O-N 2.87Å; M289-N293 PolarHBondContact O-ND2 3.14Å; M289-N293 PolarHBondContact O-OD1 3.43Å; N293-A296 CarbonylContact O-C 3.55Å; N293-A296 PolarHBondContact O-N 2.86Å; N293-S297 VanDerWaalsContact O-CB 3.27Å; N293-S297 WeakPolarHBondContact O-CB 3.29Å; N293-S297 PolarHBondContact O-N 3.44Å; N293-S297 PolarHBondContact O-OG 3.32Å
294S47.2Very low46.6Very low62 Ų62115.5 Ų115.543%0.43463%0.634SS.*Hα-helixtrans-71.7-29.4176.9420000113.3Q290 M291 S297Q290-S294 WeakPolarHBondContact O-CB 3.36Å; Q290-S294 PolarHBondContact O-N 2.92Å; Q290-S294 PolarHBondContact O-OG 3.48Å; M291-S294 WeakPolarHBondContact CA-OG 3.14Å; M291-S294 PolarHBondContact O-OG 3.34Å; M291-S294 VanDerWaalsContact O-OG 3.1Å; S294-S297 WeakPolarHBondContact CA-OG 3.38Å; S294-S297 PolarHBondContact O-OG 3.47Å
295M51.8Low46.5Very low130 Ų130116 Ų11664%0.6463%0.627SS**Hα-helixtrans-75.2-24.1169.5-69.2-167.5-59.600113.3M291M291-M295 WeakPolarHBondContact O-CG 3.4Å; M291-M295 PolarHBondContact O-N 2.82Å; M291-M295 VanDerWaalsContact O-N 3.16Å
296A50.2Low46.5Very low68 Ų68114.1 Ų114.156%0.56262%0.622SS**Hα-helixtrans-84.1-19.617300000112.8R292 N293R292-A296 PolarHBondContact O-N 3.43Å; N293-A296 CarbonylContact O-C 3.55Å; N293-A296 PolarHBondContact O-N 2.86Å
297S43Very low46.5Very low88 Ų88115.8 Ų115.862%0.61563%0.626SS**SBendtrans-98.615.5-17475.70000114.7N293 S294N293-S297 VanDerWaalsContact O-CB 3.27Å; N293-S297 WeakPolarHBondContact O-CB 3.29Å; N293-S297 PolarHBondContact O-N 3.44Å; N293-S297 PolarHBondContact O-OG 3.32Å; S294-S297 WeakPolarHBondContact CA-OG 3.38Å; S294-S297 PolarHBondContact O-OG 3.47Å
298T45Very low45.8Very low122 Ų122118.9 Ų118.975%0.74864%0.637SS**SBendtrans-114.956.2167.765.60000110.3
299S43Very low45.2Very low72 Ų72118.7 Ų118.750%0.50364%0.638SS.*SBendtrans-148.8120.3154.455.20000106T301S299-T301 PolarHBondContact O-N 3.42Å; S299-T301 PolarHBondContact O-OG1 2.98Å
300D45.7Very low44.8Very low176 Ų176123 Ų12394%0.94165%0.647SS**  trans-50.2100.3169.3-68.5-47.6000109
301T45Very low43.7Very low76 Ų76121.3 Ų121.347%0.46666%0.657SS.*  trans-136.561.6175.949.70000109.7S299 V304S299-T301 PolarHBondContact O-N 3.42Å; S299-T301 PolarHBondContact O-OG1 2.98Å; T301-V304 HydrophobicContact CG2-CG2 4.26Å
302D42.2Very low42.8Very low147 Ų147119.5 Ų119.579%0.78667%0.668SS**SBendtrans-94.2-9.3157.9-76.7-30.7000112.3
303D42.8Very low42.1Very low141 Ų141116.4 Ų116.475%0.75468%0.676SS**SBendtrans-96.5-21.3179.8-70.3-39.1000114.6
304V42.3Very low41.8Very low75 Ų75116.2 Ų116.246%0.45569%0.689SS.*SBendtrans-84.8-30.5-176.7-179.50000112.3T301 N306 Q307 I308T301-V304 HydrophobicContact CG2-CG2 4.26Å; V304-N306 VanDerWaalsContact C-N 3.33Å; V304-N306 PolarHBondContact O-N 3.04Å; V304-Q307 PolarHBondContact O-N 3.17Å; V304-I308 HydrophobicContact CG1-CD1 3.91Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 WeakPolarHBondContact O-CG1 3.34Å; V304-I308 PolarHBondContact O-N 3.48Å
305L38.2Very low41.1Very low127 Ų127117 Ų11767%0.66571%0.707SS**Hα-helixtrans-69.8-31.3-177.9-153.182.4000112.3Q307L305-Q307 VanDerWaalsContact C-N 3.33Å
306N41.1Very low40.5Very low125 Ų125116.1 Ų116.167%0.66871%0.714SS**Hα-helixtrans-76.1-20.7175.4-82-34.2000113.3V304V304-N306 VanDerWaalsContact C-N 3.33Å; V304-N306 PolarHBondContact O-N 3.04Å
307Q40.9Very low39.8Very low152 Ų152117 Ų11771%0.7172%0.716SS**Hα-helixtrans-85.8-26.5179.1-152.4161.916.500112.5V304 L305 R310V304-Q307 PolarHBondContact O-N 3.17Å; L305-Q307 VanDerWaalsContact C-N 3.33Å; Q307-R310 PolarHBondContact O-N 3.46Å
308I38.6Very low39.5Very low127 Ų127119.9 Ų119.965%0.65172%0.724SS**Hα-helixtrans-78-25.8178.1-65.9170.8000112.4V304 R310V304-I308 HydrophobicContact CG1-CD1 3.91Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 WeakPolarHBondContact O-CG1 3.34Å; V304-I308 PolarHBondContact O-N 3.48Å; I308-R310 PolarHBondContact O-N 2.93Å
309L40.4Very low39.1Very low144 Ų144121.1 Ų121.175%0.75473%0.725SS**THydrogen-bonded Turntrans-74.6-8.1175.3-75.5168000113.6
310R39.2Very low38.6Very low231 Ų231124.4 Ų124.487%0.87273%0.73SS**THydrogen-bonded Turntrans-129.667.2175.6-82.7-174.7160.2-176.4-4.1112.2Q307 I308Q307-R310 PolarHBondContact O-N 3.46Å; I308-R310 PolarHBondContact O-N 2.93Å
311G30.1Very low38Very low66 Ų66124.7 Ų124.768%0.6872%0.718SS**  trans110.7140.414400000117.4
312G29.4Very low37.6Very low79 Ų79127.5 Ų127.581%0.81473%0.729SS**  trans92.710014600000118A314G312-A314 PolarHBondContact O-N 3.31Å
313S39.7Very low37.2Very low130 Ų130124.5 Ų124.591%0.90972%0.72SS**  trans-3.1110.2150.4174.60000118.3
314A41.6Very low36.8Very low102 Ų102122.3 Ų122.384%0.84371%0.708SS**  trans175.9114.9134.400000110.1G312G312-A314 PolarHBondContact O-N 3.31Å
315G32.9Very low36.7Very low78 Ų78125.4 Ų125.480%0.80472%0.719SS**  trans172.941.5178.300000114.8
316S38.4Very low36.7Very low112 Ų112124.1 Ų124.178%0.78372%0.717SS**  trans-117.489.1174.2-174.10000109.5
317S36.1Very low36.3Very low86 Ų86120.8 Ų120.860%0.60171%0.706SS**SBendtrans-159.2-21169.147.30000114.2
318L37.3Very low36Very low150 Ų150117 Ų11779%0.78570%0.701SS**SBendtrans-93.3-30.6178.3-88.7138.7000114.6F320L318-F320 VanDerWaalsContact C-N 3.31Å; L318-F320 PolarHBondContact O-N 3.11Å
319L36Very low36Very low148 Ų148120.6 Ų120.678%0.77571%0.707SS**Hα-helixtrans-74.5-19.4177.4-97.1149.2000113.5
320F32.5Very low35.7Very low140 Ų140119.6 Ų119.661%0.61471%0.706SS**Hα-helixtrans-74.3-30.3179.2-160.7-99000112.8L318 N324L318-F320 VanDerWaalsContact C-N 3.31Å; L318-F320 PolarHBondContact O-N 3.11Å; F320-N324 PolarHBondContact O-N 3.32Å
321W32.6Very low35.5Very low183 Ų183116.1 Ų116.169%0.69370%0.704SS**Hα-helixtrans-76.9-34.2-177.1-94.490.8000113.9
322I36.9Very low35.8Very low135 Ų135118.6 Ų118.669%0.69271%0.706SS**Hα-helixtrans-71.4-33.3-179.2-62.8174.3000110.9T326I322-T326 PolarHBondContact O-OG1 3.23Å
323S33.4Very low36.2Very low84 Ų84120.7 Ų120.759%0.58771%0.709SS**Hα-helixtrans-73.9-35178.7-160.10000113.1M325 T326S323-M325 PolarHBondContact O-N 2.83Å; S323-T326 PolarHBondContact O-OG1 3.28Å
324N34.5Very low35.8Very low94 Ų94117.6 Ų117.650%0.50370%0.697SS.*Hα-helixtrans-75.1-24.4-176.2-110.7-3.5000114.4F320 A327 A328F320-N324 PolarHBondContact O-N 3.32Å; N324-A327 PolarHBondContact O-N 3.4Å; N324-A328 PolarHBondContact O-N 3.02Å
325M39.9Very low35.4Very low140 Ų140120.4 Ų120.469%0.6970%0.696SS**Hα-helixtrans-78.3-23177.4-81179.573.900113.7S323S323-M325 PolarHBondContact O-N 2.83Å
326T38.3Very low35.3Very low101 Ų101123.7 Ų123.762%0.6269%0.694SS**Hα-helixtrans-73.8-28.8170.625.60000112.8I322 S323I322-T326 PolarHBondContact O-OG1 3.23Å; S323-T326 PolarHBondContact O-OG1 3.28Å
327A33.3Very low34.9Very low54 Ų54125.2 Ų125.245%0.44669%0.692SS.*Hα-helixtrans-74.8-30.5177.500000113.3N324 R329 V330N324-A327 PolarHBondContact O-N 3.4Å; A327-R329 PolarHBondContact O-N 2.82Å; A327-V330 PolarHBondContact O-N 3.47Å
328A34.8Very low34.7Very low74 Ų74128.3 Ų128.361%0.61270%0.7SS**THydrogen-bonded Turntrans-71.3-10-17700000114.8N324N324-A328 PolarHBondContact O-N 3.02Å
329R37.8Very low34.2Very low202 Ų202129.9 Ų129.976%0.76270%0.703SS**THydrogen-bonded Turntrans-97.4-5.3177.4-106.3-178.3172.4-176.6-1.6114.9A327A327-R329 PolarHBondContact O-N 2.82Å
330V34.9Very low33.8Very low123 Ų123127.5 Ų127.575%0.74570%0.699SS**SBendtrans-95-11.9-179.4-179.90000112.8A327A327-V330 PolarHBondContact O-N 3.47Å
331L35Very low33.9Very low157 Ų157126.6 Ų126.682%0.82271%0.707SS**SBendtrans-102.26-175-88.1156.5000116.2
332T36.8Very low33.9Very low118 Ų118126.5 Ų126.572%0.72471%0.714SS**SBendtrans-104.336.2177.547.70000114.2
333S37.5Very low33.8Very low124 Ų124131 Ų13187%0.86772%0.722SS**  trans-149.484.2162.6-81.70000109.5
334G30.8Very low33.8Very low65 Ų65133.8 Ų133.867%0.6774%0.735SS**  trans-160.1102.5177.100000109.2I336G334-I336 PolarHBondContact O-N 3.46Å
335I34.3Very low33.7Very low160 Ų160137 Ų13782%0.82175%0.752SS**  trans-52.5120.9177.3-71.2158000110I337I335-I337 HydrophobicContact CG2-CG1 4.08Å; I335-I337 PolarHBondContact O-N 2.85Å
336I29.6Very low33.4Very low147 Ų147135.1 Ų135.175%0.75476%0.759SS**  trans-85.1102.5172.4-64.2173.9000107.8G334 I338G334-I336 PolarHBondContact O-N 3.46Å; I336-I338 HydrophobicContact CG2-CG1 3.92Å
337I30.9Very low33.2Very low145 Ų145136.4 Ų136.474%0.74477%0.766SS**  trans-85.9113.8160.5-63.9177.1000106.7I335 H339I335-I337 HydrophobicContact CG2-CG1 4.08Å; I335-I337 PolarHBondContact O-N 2.85Å; I337-H339 PolarHBondContact O-N 2.89Å
338I30.7Very low33.1Very low151 Ų151138.5 Ų138.577%0.77478%0.778SS**  trans-78.4113.7176.2-58.8175.3000108I336I336-I338 HydrophobicContact CG2-CG1 3.92Å
339H27.6Very low33.7Very low183 Ų183144.4 Ų144.485%0.84781%0.809SS**  trans-116.9122.2164.7-14967.7000109.2I337I337-H339 PolarHBondContact O-N 2.89Å
340S28.4Very low33.5Very low98 Ų98141.5 Ų141.569%0.68581%0.812SS**PPolyproline II helixtrans-78.8134.4-176.4-178.50000111.3
341P34.1Very low33.4Very low120 Ų120142.5 Ų142.578%0.77982%0.815SS**PPolyproline II helixtrans-90.5119.1171.132.2-26000110.9
342H32.8Very low33.3Very low182 Ų182141.7 Ų141.784%0.84382%0.815SS**PPolyproline II helixtrans-67135.1172.2-130.1-80.3000110.9
343R33.6Very low33.1Very low229 Ų229143.1 Ų143.186%0.86482%0.82SS**PPolyproline II helixtrans-62.7134.6166.4-79178.7-179.5-166.9-1110.5
344T34.7Very low32.8Very low142 Ų142144.3 Ų144.387%0.87182%0.817SS**  trans-118.1114159.912.20000109.1
345L32.8Very low32.9Very low162 Ų162149.5 Ų149.585%0.84883%0.827SS**  trans-76.2133.8168.4-83.6147.5000109
346A31.7Very low32.8Very low101 Ų101148.8 Ų148.884%0.83583%0.827SS**  trans-87135.717000000110.3
347V35.7Very low33.1Very low128 Ų128148.9 Ų148.978%0.77683%0.833SS**  trans-139.4124.5171.31710000109.6
348S29.7Very low33.3Very low98 Ų98149.3 Ų149.369%0.68584%0.841SS**  trans67.4156.7150.1-73.60000120.2
349P47.6Very low33.5Very low197 Ų197149.1 Ų149.1100%1.27985%0.847SS**  cis-76036.9-18.133.3000116.4

Retrieved 349 of 349 residues in 148.2 ms (Link to these results)