A0A077ZJL1_TRITR Loading...

Prohibitin

AlphaFold DB , UniProt , Accession A0A077ZJL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M51.9Low64Low217 Ų217131.4 Ų131.4100%1.06967%0.668SS**  0-36.30-71.6-74.9-89.300112.4
2S57.1Low63.3Low88 Ų88134.8 Ų134.862%0.61568%0.683SS**Hα-helixtrans-65.9-37.8178148.10000115K4 A5 M6S2-K4 PolarHBondContact O-N 2.97Å; S2-A5 PolarHBondContact O-N 3.17Å; S2-M6 PolarHBondContact O-N 3.35Å
3E62.9Low63Low170 Ų170137.8 Ų137.879%0.79470%0.696SS**Hα-helixtrans-65.3-36.5-178.3-75.6178.9139.900113.8A5 M6 D7E3-A5 VanDerWaalsContact C-N 3.28Å; E3-A5 PolarHBondContact O-N 3.2Å; E3-M6 PolarHBondContact O-N 3.34Å; E3-D7 PolarHBondContact O-N 3.4Å; E3-D7 VanDerWaalsContact O-N 3.11Å
4K66.1Low62.5Low177 Ų177143.3 Ų143.377%0.7770%0.704SS**Hα-helixtrans-66.6-29.2176.3-79.2-173.5176.1179.90112.8S2 M8S2-K4 PolarHBondContact O-N 2.97Å; K4-M8 PolarHBondContact O-N 3.08Å
5A63.5Low61.5Low60 Ų60144.1 Ų144.150%0.49671%0.713SS.*Hα-helixtrans-74.2-38.417800000111.4S2 E3 M8 L9S2-A5 PolarHBondContact O-N 3.17Å; E3-A5 VanDerWaalsContact C-N 3.28Å; E3-A5 PolarHBondContact O-N 3.2Å; A5-M8 PolarHBondContact O-N 3.11Å; A5-L9 PolarHBondContact O-N 3.47Å
6M61.3Low60.3Low142 Ų142142.3 Ų142.370%0.772%0.715SS**Hα-helixtrans-69.1-38.4177.8-117.1145.5139.800112.5S2 E3 M8 L9 S10S2-M6 PolarHBondContact O-N 3.35Å; E3-M6 PolarHBondContact O-N 3.34Å; M6-M8 VanDerWaalsContact C-N 3.31Å; M6-M8 PolarHBondContact O-N 3.24Å; M6-L9 PolarHBondContact O-N 3.34Å; M6-S10 PolarHBondContact O-N 3.06Å; M6-S10 VanDerWaalsContact O-N 3.12Å; M6-S10 PolarHBondContact O-OG 3.27Å
7D75.5Confident59.1Low81 Ų81146.5 Ų146.543%0.43373%0.728SS.*Hα-helixtrans-73.6-21.9177.7-150.446.8000113E3 S10 R11E3-D7 PolarHBondContact O-N 3.4Å; E3-D7 VanDerWaalsContact O-N 3.11Å; D7-S10 PolarHBondContact O-OG 3.32Å; D7-S10 VanDerWaalsContact O-OG 3.04Å; D7-R11 WeakPolarHBondContact O-CD 3.43Å; D7-R11 VanDerWaalsContact O-CG 3.23Å; D7-R11 WeakPolarHBondContact O-CG 3.45Å; D7-R11 IonicContact OD2-CZ 2.81Å; D7-R11 IonicContact OD2-NE 3.69Å; D7-R11 IonicContact OD2-NH2 2.84Å; D7-R11 PolarHBondContact OD2-NH2 2.83Å
8M65.4Low57.9Low144 Ų144142.4 Ų142.471%0.70973%0.729SS**Hα-helixtrans-77.4-35.8172.9-156.1-179.9-16500111.7K4 A5 M6 R11 M12K4-M8 PolarHBondContact O-N 3.08Å; A5-M8 PolarHBondContact O-N 3.11Å; M6-M8 VanDerWaalsContact C-N 3.31Å; M6-M8 PolarHBondContact O-N 3.24Å; M8-R11 PolarHBondContact O-N 3.34Å; M8-M12 PolarHBondContact O-N 3.42Å
9L61.9Low56.9Low127 Ų127141.9 Ų141.967%0.66573%0.733SS**Hα-helixtrans-73.7-36-179.2-143.6142.3000111.9A5 M6 M12A5-L9 PolarHBondContact O-N 3.47Å; M6-L9 PolarHBondContact O-N 3.34Å; L9-M12 PolarHBondContact O-N 3.33Å
10S68.7Low55.9Low60 Ų60140.7 Ų140.742%0.4273%0.732SS.*Hα-helixtrans-67.4-34.1173.764.10000112.6M6 D7M6-S10 PolarHBondContact O-N 3.06Å; M6-S10 VanDerWaalsContact O-N 3.12Å; M6-S10 PolarHBondContact O-OG 3.27Å; D7-S10 PolarHBondContact O-OG 3.32Å; D7-S10 VanDerWaalsContact O-OG 3.04Å
11R69.4Low55.1Low179 Ų179141.1 Ų141.168%0.67574%0.741SS**Hα-helixtrans-71-31.2175.8-72.3175.6-167.3-147.24.7112.9D7 M8 M13 R14D7-R11 WeakPolarHBondContact O-CD 3.43Å; D7-R11 VanDerWaalsContact O-CG 3.23Å; D7-R11 WeakPolarHBondContact O-CG 3.45Å; D7-R11 IonicContact OD2-CZ 2.81Å; D7-R11 IonicContact OD2-NE 3.69Å; D7-R11 IonicContact OD2-NH2 2.84Å; D7-R11 PolarHBondContact OD2-NH2 2.83Å; M8-R11 PolarHBondContact O-N 3.34Å; R11-M13 VanDerWaalsContact C-N 3.27Å; R11-M13 PolarHBondContact O-N 2.76Å; R11-R14 PolarHBondContact O-N 3.09Å
12M55.7Low54.5Low173 Ų173135.7 Ų135.785%0.85273%0.725SS**Hα-helixtrans-71.1-22.8179.5-143.1179.7-124.700112.9M8 L9M8-M12 PolarHBondContact O-N 3.42Å; L9-M12 PolarHBondContact O-N 3.33Å
13M59.8Low53.7Low173 Ų173139.5 Ų139.585%0.85274%0.736SS**THydrogen-bonded Turntrans-84.4-8.6-179.9-112.2-176.1168.200114.7R11R11-M13 VanDerWaalsContact C-N 3.27Å; R11-M13 PolarHBondContact O-N 2.76Å
14R55.6Low52.6Low215 Ų215134.6 Ų134.681%0.81173%0.732SS**SBendtrans-103.570.7179-84.6-179.4168.9175.3-2.3111.4R11R11-R14 PolarHBondContact O-N 3.09Å
15N48.2Very low51.2Low155 Ų155134.3 Ų134.383%0.82974%0.738SS**  trans-173.2118.1140.7-108.7-7.3000111.6
16P41Very low49.9Very low116 Ų116139.5 Ų139.575%0.75376%0.755SS**  trans-92.6130.7-178.934.6-28.2000110.2
17K39.8Very low48.7Very low214 Ų214137.5 Ų137.593%0.9376%0.762SS**  trans-179.8108.8145.5-100.6165.9-168.9-1710111
18G37.9Very low46.7Very low73 Ų73137.6 Ų137.675%0.75378%0.781SS**  trans80.9142.9148.600000117.2
19V39.3Very low45.3Very low132 Ų132135.8 Ų135.880%0.879%0.789SS**  trans94.6111.7163.5-165.50000115.5
20T37.3Very low44.1Very low117 Ų117137.2 Ų137.272%0.71880%0.803SS**  trans72107.8154.858.40000118.8S22T20-S22 PolarHBondContact O-N 3Å
21T38.5Very low42.6Very low151 Ų151137.4 Ų137.493%0.92681%0.814SS**  trans-61.792.8162.634.30000111.4
22S38.6Very low40.9Very low102 Ų102137.1 Ų137.171%0.71383%0.825SS**  trans-142.380.9153.4490000107.9T20T20-S22 PolarHBondContact O-N 3Å
23I41.4Very low40Very low168 Ų168135.5 Ų135.586%0.86283%0.825SS**  trans-95.4108.6172.5-66.4176.6000107.8
24G39.8Very low38.9Very low68 Ų68139.1 Ų139.170%0.70183%0.831SS**  trans-68154.2167.400000112.4
25L36.7Very low38.1Very low170 Ų170132.1 Ų132.189%0.8983%0.826SS**  trans-119.890.8178.6-137.1173000107.3
26I36.4Very low37.6Very low170 Ų170132.8 Ų132.887%0.87283%0.828SS**  trans-145.7103.1166-56.8180000108.2
27A36.1Very low37.5Very low100 Ų100132.1 Ų132.183%0.82683%0.827SS**  trans179.6126.5146.400000110.6
28G33.9Very low37.3Very low82 Ų82130 Ų13085%0.84582%0.82SS**  trans114.392148.400000116.6
29A36Very low37.2Very low106 Ų106132.6 Ų132.688%0.87683%0.827SS**  trans-163.689133.700000108.7
30V35.3Very low37.2Very low158 Ų158134.6 Ų134.696%0.95883%0.825SS**  trans-71.9126.3159.61690000107
31G37.3Very low37.2Very low63 Ų63139.1 Ų139.165%0.64983%0.83SS**  trans161.5112.8167.700000114.9
32L33.1Very low37.2Very low174 Ų174138.9 Ų138.991%0.91183%0.829SS**  trans7879.6157.8-53.1175.7000118.1
33T37.1Very low37.2Very low139 Ų139137.4 Ų137.485%0.85383%0.83SS**  trans-133.498.8148.356.40000110.8
34Y37.3Very low36.8Very low248 Ų248139.2 Ų139.297%0.97383%0.831SS**  trans-135.1100.9155.1-100.4-86.4000106.6
35G38.6Very low36.6Very low68 Ų68140.5 Ų140.570%0.70183%0.829SS**  trans17998177.800000111.4
36L39.1Very low37.1Very low169 Ų169144.3 Ų144.389%0.88583%0.834SS**  trans68.181.6157.7-58.8155.9000114.9
37S37.9Very low37.6Very low103 Ų103141.6 Ų141.672%0.7283%0.825SS**  30.793.473.5-164.10000114.2
38Q34.9Very low37.9Very low168 Ų168142.4 Ų142.479%0.78583%0.825SS**  165.1102.3117.3-86.9-166.530.300109.6
39S35.9Very low38.2Very low128 Ų128146 Ų14690%0.89582%0.824SS**  trans-166.7103.9132.9-86.20000108.5
40F39.3Very low38.6Very low174 Ų174150.4 Ų150.476%0.76382%0.823SS**  trans-59.5139.3179.1-92.2-110.7000111.9T42F40-T42 PolarHBondContact O-N 3.13Å
41Y38.2Very low39Very low212 Ų212150.8 Ų150.883%0.83181%0.813SS**  26.297.2126.2-79.4-94.4000116.6
42T39.3Very low39.5Very low147 Ų147153.9 Ų153.990%0.90282%0.823SS**  177.5133.5129.120.20000109.9F40F40-T42 PolarHBondContact O-N 3.13Å
43G38.4Very low40.7Very low70 Ų70147.4 Ų147.472%0.72279%0.79SS**  trans94.7104.4153.200000116.7
44K33.2Very low41.7Very low206 Ų206145.4 Ų145.490%0.89678%0.775SS**  trans44.997.6139.5-61.3178.8178.2177.70116.4
45S35.6Very low42.9Very low95 Ų95141.1 Ų141.166%0.66476%0.761SS**  trans-169118.4131.3-92.60000112.4T47S45-T47 VanDerWaalsContact CB-OG1 3.29Å; S45-T47 WeakPolarHBondContact CB-OG1 3.44Å; S45-T47 PolarHBondContact O-N 3.38Å
46Y45.7Very low44.2Very low250 Ų250143.1 Ų143.198%0.9877%0.765SS**  trans-68.751.9166.1-78.4-95.2000111.2
47T46.4Very low45.6Very low114 Ų114139.1 Ų139.170%0.69974%0.741SS**  trans-116.3-4.4-166.653.20000115.4S45S45-T47 VanDerWaalsContact CB-OG1 3.29Å; S45-T47 WeakPolarHBondContact CB-OG1 3.44Å; S45-T47 PolarHBondContact O-N 3.38Å
48S42.5Very low47.6Very low116 Ų116136.4 Ų136.481%0.81172%0.717SS**SBendtrans-103.313.6-175.480.30000115.6
49L41.4Very low49.8Very low157 Ų157129.7 Ų129.782%0.82269%0.693SS**SBendtrans-126.217.8-167.4-125.7125.3000115.9
50F43.6Very low52.2Low199 Ų199124.5 Ų124.587%0.87365%0.654SS**SBendtrans-125.512.7-174.5-118.8-88.8000116.5
51F43.6Very low54.5Low166 Ų166120.8 Ų120.873%0.72865%0.649SS**  trans-127.747.8-176.9-109.9-95.9000113.3V53 W92F51-V53 HydrophobicContact CD1-CG2 3.37Å; F51-V53 HydrophobicContact CE1-CG2 3.71Å; F51-V53 HydrophobicContact CG-CG2 4.31Å; F51-V53 PolarHBondContact O-N 3.46Å; F51-V53 VanDerWaalsContact O-N 3.17Å; F51-W92 HydrophobicContact CD1-CH2 4.41Å; F51-W92 AromaticContact CE1-CH2 3.69Å; F51-W92 HydrophobicContact CE1-CH2 3.69Å; F51-W92 AromaticContact CE1-CZ3 3.96Å; F51-W92 HydrophobicContact CE1-CZ3 3.96Å; F51-W92 AromaticContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CZ3 4.09Å
52C49.4Very low56.9Low129 Ų129111 Ų11187%0.87261%0.612SS**  trans-80.283155.1-111.30000107.4D54C52-D54 PolarHBondContact O-N 3.13Å
53V57.6Low59.3Low37 Ų37109 Ų10922%0.22460%0.596CS.*  trans-78.1107.6168.3-159.80000106.2F51 F55 F58 W92F51-V53 HydrophobicContact CD1-CG2 3.37Å; F51-V53 HydrophobicContact CE1-CG2 3.71Å; F51-V53 HydrophobicContact CG-CG2 4.31Å; F51-V53 PolarHBondContact O-N 3.46Å; F51-V53 VanDerWaalsContact O-N 3.17Å; V53-F55 PolarHBondContact O-N 2.98Å; V53-F58 HydrophobicContact CB-CE2 4Å; V53-F58 HydrophobicContact CB-CZ 4.21Å; V53-F58 HydrophobicContact CG1-CE2 3.35Å; V53-F58 HydrophobicContact CG1-CZ 3.49Å; V53-F58 VanDerWaalsContact CG1-CZ 3.49Å; V53-W92 HydrophobicContact CB-CH2 4.28Å; V53-W92 HydrophobicContact CG1-CH2 3.81Å; V53-W92 HydrophobicContact CG1-CZ2 3.99Å; V53-W92 HydrophobicContact CG1-CZ3 4.38Å; V53-W92 HydrophobicContact CG2-CH2 3.46Å; V53-W92 VanDerWaalsContact CG2-CH2 3.46Å; V53-W92 HydrophobicContact CG2-CZ2 4.14Å; V53-W92 HydrophobicContact CG2-CZ3 4.28Å
54D58.1Low61.7Low98 Ų98106.9 Ų106.952%0.52457%0.574SS.*  trans-52.9104.9175.3-71.7-41.1000109.3C52 S56 Q57C52-D54 PolarHBondContact O-N 3.13Å; D54-S56 PolarHBondContact O-N 2.81Å; D54-Q57 HydrophobicContact CB-CG 3.97Å; D54-Q57 WeakPolarHBondContact O-CB 3.46Å; D54-Q57 PolarHBondContact O-N 2.86Å
55F62.2Low64.4Low157 Ų15798.1 Ų98.169%0.68954%0.542SS*.G310 helixtrans-57.5-26.5-177.2-171.1-102.7000111.7V53 Q57 F58V53-F55 PolarHBondContact O-N 2.98Å; F55-Q57 PolarHBondContact O-N 2.89Å; F55-Q57 VanDerWaalsContact O-N 3.16Å; F55-F58 HydrophobicContact CD2-CD2 4.22Å; F55-F58 WeakPolarHBondContact O-CD2 3.45Å; F55-F58 PolarHBondContact O-N 3.46Å; F55-F58 VanDerWaalsContact O-N 3.12Å
56S65.5Low67.1Low111 Ų11196.3 Ų96.378%0.77652%0.523SS*.G310 helixtrans-59.8-22.6174.2-170.40000113.8D54 F58D54-S56 PolarHBondContact O-N 2.81Å; S56-F58 VanDerWaalsContact C-N 3.33Å
57Q69.5Low69.3Low84 Ų8487.3 Ų87.339%0.39349%0.487SS..G310 helixtrans-82.7-9.7179.4-61.7-171.86.800113.4D54 F55 R89 P91D54-Q57 HydrophobicContact CB-CG 3.97Å; D54-Q57 WeakPolarHBondContact O-CB 3.46Å; D54-Q57 PolarHBondContact O-N 2.86Å; F55-Q57 PolarHBondContact O-N 2.89Å; F55-Q57 VanDerWaalsContact O-N 3.16Å; Q57-R89 PolarHBondContact O-NE 2.91Å; Q57-R89 PolarHBondContact O-NH2 3.22Å; Q57-P91 HydrophobicContact CB-CB 3.9Å; Q57-P91 HydrophobicContact CB-CG 4.09Å
58F78.7Confident71.5Confident46 Ų4681.9 Ų81.920%0.20245%0.454CS..THydrogen-bonded Turntrans-82.1-25.9178.4-69.2-97.5000112.8V53 F55 S56 F88 R89 L90V53-F58 HydrophobicContact CB-CE2 4Å; V53-F58 HydrophobicContact CB-CZ 4.21Å; V53-F58 HydrophobicContact CG1-CE2 3.35Å; V53-F58 HydrophobicContact CG1-CZ 3.49Å; V53-F58 VanDerWaalsContact CG1-CZ 3.49Å; F55-F58 HydrophobicContact CD2-CD2 4.22Å; F55-F58 WeakPolarHBondContact O-CD2 3.45Å; F55-F58 PolarHBondContact O-N 3.46Å; F55-F58 VanDerWaalsContact O-N 3.12Å; S56-F58 VanDerWaalsContact C-N 3.33Å; F58-F88 CarbonylContact O-C 3.52Å; F58-F88 VanDerWaalsContact O-CA 3.28Å; F58-F88 WeakPolarHBondContact O-CA 3.46Å; F58-R89 VanDerWaalsContact CA-O 3.31Å; F58-R89 WeakPolarHBondContact CA-O 3.46Å; F58-R89 WeakPolarHBondContact CD1-O 3.49Å; F58-R89 PolarHBondContact O-N 3.12Å; F58-L90 HydrophobicContact CD1-CD2 4.31Å; F58-L90 HydrophobicContact CE1-CD2 3.94Å
59G81.9Confident73.9Confident27 Ų2776.3 Ų76.328%0.27842%0.415SS..EExtended strand (participates in β ladder)trans-84.1141.9175.800000112
60F85.9Confident76.3Confident20 Ų2068.9 Ų68.99%0.08838%0.376CS..EExtended strand (participates in β ladder)trans-136136.1158.774.3-83.2000109.7V62 A68 I70 Y82 H87 R89 P96F60-V62 HydrophobicContact CD2-CG2 3.88Å; F60-V62 HydrophobicContact CE2-CG2 3.58Å; F60-A68 HydrophobicContact CE2-CB 3.74Å; F60-A68 HydrophobicContact CZ-CB 4.47Å; F60-I70 HydrophobicContact CE1-CD1 4.05Å; F60-I70 HydrophobicContact CZ-CD1 4.1Å; F60-I70 HydrophobicContact CZ-CG1 4.34Å; F60-Y82 HydrophobicContact CZ-CG 4.27Å; F60-H87 HydrophobicContact CD1-CB 4Å; F60-H87 WeakPolarHBondContact CD1-O 3.45Å; F60-H87 HydrophobicContact CD2-CB 4.47Å; F60-H87 HydrophobicContact CE1-CB 3.42Å; F60-H87 VanDerWaalsContact CE1-CB 3.42Å; F60-H87 HydrophobicContact CE2-CB 3.94Å; F60-H87 HydrophobicContact CZ-CB 3.39Å; F60-H87 PolarHBondContact N-O 2.99Å; F60-H87 PolarHBondContact O-N 3.48Å; F60-R89 HydrophobicContact CD1-CB 3.81Å; F60-R89 HydrophobicContact CD1-CG 3.87Å; F60-R89 HydrophobicContact CE1-CB 3.99Å; F60-P96 HydrophobicContact CB-CG 4.41Å; F60-P96 HydrophobicContact CD1-CB 4.48Å; F60-P96 HydrophobicContact CD2-CB 3.92Å; F60-P96 HydrophobicContact CD2-CG 4.37Å; F60-P96 HydrophobicContact CE2-CB 3.98Å; F60-P96 HydrophobicContact CG-CB 4.17Å; F60-P96 HydrophobicContact CG-CG 4.23Å; F60-P96 HydrophobicContact CZ-CB 4.27Å
61S87.6Confident78.5Confident95 Ų9563.7 Ų63.766%0.66435%0.351SS*.EExtended strand (participates in β ladder)trans-101.7133176.755.10000110.1G85S61-G85 WeakPolarHBondContact CA-O 3.45Å
62V89.2Confident80.7Confident7 Ų756 Ų564%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-101.5123.4172.3-1780000108.2F60 Q66 A68 E84 G85F60-V62 HydrophobicContact CD2-CG2 3.88Å; F60-V62 HydrophobicContact CE2-CG2 3.58Å; V62-Q66 HydrophobicContact CG1-CB 3.83Å; V62-Q66 WeakPolarHBondContact CG1-O 3.26Å; V62-A68 HydrophobicContact CG2-CB 3.57Å; V62-E84 WeakPolarHBondContact O-CA 3.45Å; V62-G85 PolarHBondContact N-O 3.39Å; V62-G85 PolarHBondContact O-N 3.35Å
63D89.9Confident82.4Confident105 Ų10557.7 Ų57.756%0.56131%0.306SS*.PPolyproline II helixtrans-73.2162.7-179.7-166.617.4000111.8G65 Q66D63-G65 PolarHBondContact O-N 2.92Å; D63-Q66 WeakPolarHBondContact O-CB 3.38Å; D63-Q66 PolarHBondContact O-N 3.02Å; D63-Q66 VanDerWaalsContact O-N 3.1Å
64G88.8Confident83.6Confident26 Ų2662.8 Ų62.827%0.26833%0.332SS..THydrogen-bonded Turntrans-58.2136.6178.300000111.9Q66 R102G64-Q66 PolarHBondContact O-N 3.21Å; G64-R102 PolarHBondContact O-NH2 3.34Å
65G88.2Confident84.8Confident21 Ų2162.5 Ų62.522%0.21634%0.337CS..THydrogen-bonded Turntrans71.49.7-176.900000114.7D63 V101D63-G65 PolarHBondContact O-N 2.92Å; G65-V101 WeakPolarHBondContact O-CG2 3.44Å; G65-V101 PolarHBondContact O-N 3.39Å
66Q93.1Very high86Confident58 Ų5856.1 Ų56.127%0.27132%0.316SS..EExtended strand (participates in β ladder)trans-109.5158.9165.3-62.9177.7-11.200110.3V62 D63 G64 V98 Y99V62-Q66 HydrophobicContact CG1-CB 3.83Å; V62-Q66 WeakPolarHBondContact CG1-O 3.26Å; D63-Q66 WeakPolarHBondContact O-CB 3.38Å; D63-Q66 PolarHBondContact O-N 3.02Å; D63-Q66 VanDerWaalsContact O-N 3.1Å; G64-Q66 PolarHBondContact O-N 3.21Å; Q66-V98 HydrophobicContact CB-CG1 3.75Å; Q66-V98 HydrophobicContact CG-CG1 4.13Å; Q66-Y99 CarbonylContact C-O 3.59Å; Q66-Y99 WeakPolarHBondContact CA-O 3.34Å; Q66-Y99 WeakPolarHBondContact CB-O 3.4Å
67R92.8Very high87.1Confident60 Ų6051.4 Ų51.423%0.22628%0.282CS..EExtended strand (participates in β ladder)trans-137.1139172.3-67.6-63.8-179.8-102.75.3108.2I81 E84 Y99 V101 A132 L135R67-I81 HydrophobicContact CB-CG2 4.11Å; R67-I81 HydrophobicContact CG-CG2 4.43Å; R67-E84 IonicContact CZ-OE2 3.92Å; R67-E84 IonicContact NH1-OE2 3.85Å; R67-E84 PolarHBondContact NH1-OE2 2.86Å; R67-E84 IonicContact NH2-OE2 3.38Å; R67-Y99 PolarHBondContact N-O 3.32Å; R67-Y99 PolarHBondContact O-N 2.86Å; R67-V101 HydrophobicContact CB-CG1 3.97Å; R67-V101 HydrophobicContact CG-CG1 3.74Å; R67-V101 HydrophobicContact CG-CG2 4.03Å; R67-A132 HydrophobicContact CG-CB 4.45Å; R67-L135 HydrophobicContact CB-CD1 3.43Å; R67-L135 VanDerWaalsContact CB-CD1 3.43Å; R67-L135 HydrophobicContact CG-CD1 4.21Å
68A92.3Very high87.9Confident0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-108.6144.3179.500000111.5F60 V62 Y82 I97 V98F60-A68 HydrophobicContact CE2-CB 3.74Å; F60-A68 HydrophobicContact CZ-CB 4.47Å; V62-A68 HydrophobicContact CG2-CB 3.57Å; A68-Y82 PolarHBondContact N-O 2.89Å; A68-Y82 VanDerWaalsContact N-O 3.09Å; A68-Y82 PolarHBondContact O-N 3.24Å; A68-I97 WeakPolarHBondContact CA-O 3.42Å; A68-V98 HydrophobicContact CB-CG2 4.33Å
69I92.5Very high88.4Confident0 Ų053.8 Ų53.80%030%0.3CS..EExtended strand (participates in β ladder)trans-114.1149.1165.463.4175.7000108.5V77 I81 P96 I97 Y99 L135 P136 Y139I69-V77 HydrophobicContact CD1-CG1 4.1Å; I69-I81 HydrophobicContact CG2-CG1 4.49Å; I69-P96 WeakPolarHBondContact O-CA 3.3Å; I69-I97 HydrophobicContact CD1-CB 4.35Å; I69-I97 HydrophobicContact CD1-CD1 4.31Å; I69-I97 HydrophobicContact CD1-CG2 4.49Å; I69-I97 HydrophobicContact CG1-CB 3.8Å; I69-I97 HydrophobicContact CG1-CD1 4.23Å; I69-I97 HydrophobicContact CG1-CG2 4.32Å; I69-I97 PolarHBondContact N-O 3.42Å; I69-I97 PolarHBondContact O-N 3.45Å; I69-Y99 HydrophobicContact CD1-CD2 4.35Å; I69-Y99 HydrophobicContact CD1-CE2 3.78Å; I69-Y99 HydrophobicContact CG1-CD2 4.46Å; I69-Y99 HydrophobicContact CG1-CE2 4.32Å; I69-L135 HydrophobicContact CG2-CB 3.79Å; I69-P136 HydrophobicContact CG2-CG 4.07Å; I69-Y139 HydrophobicContact CD1-CD1 3.86Å; I69-Y139 HydrophobicContact CD1-CD2 3.99Å; I69-Y139 HydrophobicContact CD1-CG 3.45Å; I69-Y139 VanDerWaalsContact CD1-CG 3.45Å
70I90.9Very high88.7Confident1 Ų157.5 Ų57.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-105.5122.1178.4-65.6-179000109.8F60 R78 Y82 Q94F60-I70 HydrophobicContact CE1-CD1 4.05Å; F60-I70 HydrophobicContact CZ-CD1 4.1Å; F60-I70 HydrophobicContact CZ-CG1 4.34Å; I70-R78 PolarHBondContact O-N 3.41Å; I70-Y82 HydrophobicContact CB-CE2 4.08Å; I70-Y82 HydrophobicContact CD1-CD2 3.88Å; I70-Y82 HydrophobicContact CD1-CE1 4.24Å; I70-Y82 HydrophobicContact CD1-CE2 3.22Å; I70-Y82 VanDerWaalsContact CD1-CZ 3.44Å; I70-Y82 HydrophobicContact CG1-CD2 3.82Å; I70-Y82 HydrophobicContact CG1-CE2 3.42Å; I70-Y82 VanDerWaalsContact CG1-CE2 3.42Å; I70-Q94 HydrophobicContact CG2-CB 3.64Å; I70-Q94 HydrophobicContact CG2-CG 3.77Å
71Y90.8Very high89Confident90 Ų9059 Ų5935%0.35332%0.318SS..EExtended strand (participates in β ladder)trans-89.2116.3165.7177.2-99.4000109.9V77 Q94 Y95Y71-V77 HydrophobicContact CD2-CG2 3.87Å; Y71-Q94 WeakPolarHBondContact O-CA 3.47Å; Y71-Y95 HydrophobicContact CD1-CD2 4.29Å; Y71-Y95 PolarHBondContact N-O 3.08Å; Y71-Y95 PolarHBondContact O-N 2.91Å
72S88.8Confident89.2Confident4 Ų456.2 Ų56.23%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-96.4128.8173.4179.50000110.2L74 S75 G76 F93S72-L74 PolarHBondContact O-N 2.96Å; S72-L74 VanDerWaalsContact O-N 3.13Å; S72-L74 PolarHBondContact OG-N 3.49Å; S72-S75 PolarHBondContact O-N 3.45Å; S72-G76 WeakPolarHBondContact CB-O 3.38Å; S72-G76 PolarHBondContact N-O 3.24Å; S72-G76 VanDerWaalsContact O-CA 3.25Å; S72-G76 WeakPolarHBondContact O-CA 3.39Å; S72-G76 PolarHBondContact O-N 3.38Å; S72-F93 CarbonylContact C-O 3.53Å; S72-F93 VanDerWaalsContact CA-O 3.26Å; S72-F93 WeakPolarHBondContact CA-O 3.45Å
73R84.9Confident89.2Confident164 Ų16459 Ų5962%0.61931%0.312SS*.THydrogen-bonded Turntrans-57.4-27.6174.8-74.2-173.4178.5-171.21.7113.4F93 Y95R73-F93 PolarHBondContact N-O 3.41Å; R73-Y95 HydrophobicContact CG-CD2 4.45Å; R73-Y95 HydrophobicContact CG-CE2 3.89Å; R73-Y95 VanDerWaalsContact CZ-OH 3.23Å; R73-Y95 PolarHBondContact NE-OH 3.48Å; R73-Y95 PolarHBondContact NH2-OH 3.2Å
74L83.4Confident89.2Confident145 Ų14559 Ų5976%0.75931%0.308SS*.THydrogen-bonded Turntrans-89.5-32.5-176.4-68.1163.3000113.7S72 F93S72-L74 PolarHBondContact O-N 2.96Å; S72-L74 VanDerWaalsContact O-N 3.13Å; S72-L74 PolarHBondContact OG-N 3.49Å; L74-F93 HydrophobicContact CD1-CD1 3.89Å; L74-F93 HydrophobicContact CD1-CE1 4.2Å; L74-F93 HydrophobicContact CD1-CG 4.49Å; L74-F93 HydrophobicContact CG-CD1 4.21Å
75S82.7Confident89.3Confident92 Ų9259.3 Ų59.364%0.64331%0.312SS*.THydrogen-bonded Turntrans-123.60.7-169.3-177.40000113.1S72S72-S75 PolarHBondContact O-N 3.45Å
76G88.6Confident89.3Confident23 Ų2363.9 Ų63.924%0.23733%0.331CS..EExtended strand (participates in β ladder)trans69.6-152-170.500000112.7S72 R78S72-G76 WeakPolarHBondContact CB-O 3.38Å; S72-G76 PolarHBondContact N-O 3.24Å; S72-G76 VanDerWaalsContact O-CA 3.25Å; S72-G76 WeakPolarHBondContact O-CA 3.39Å; S72-G76 PolarHBondContact O-N 3.38Å; G76-R78 PolarHBondContact O-N 3.48Å
77V88.5Confident89.1Confident11 Ų1162.8 Ų62.87%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-71.5123.2-177.8-175.40000109.4I69 Y71 P136 Y139 R140I69-V77 HydrophobicContact CD1-CG1 4.1Å; Y71-V77 HydrophobicContact CD2-CG2 3.87Å; V77-P136 HydrophobicContact CG1-CB 4.08Å; V77-Y139 HydrophobicContact CG1-CD1 4.23Å; V77-Y139 HydrophobicContact CG2-CD1 3.47Å; V77-Y139 VanDerWaalsContact CG2-CD1 3.47Å; V77-Y139 HydrophobicContact CG2-CE1 3.55Å; V77-R140 HydrophobicContact CB-CG 4.26Å; V77-R140 HydrophobicContact CG2-CG 4.05Å; V77-R140 PolarHBondContact O-NH2 2.89Å
78R87.2Confident88.7Confident76 Ų7666.5 Ų66.529%0.28734%0.343SS..EExtended strand (participates in β ladder)trans-74.6149.6176-67.4-175175.2-169.7-3.5111.2I70 G76 E80 Q94I70-R78 PolarHBondContact O-N 3.41Å; G76-R78 PolarHBondContact O-N 3.48Å; R78-E80 PolarHBondContact O-N 3.44Å; R78-Q94 VanDerWaalsContact CZ-NE2 3.31Å; R78-Q94 VanDerWaalsContact NH2-NE2 3.18Å
79P87.3Confident88.4Confident104 Ų10468.9 Ų68.968%0.67535%0.352SS*.EExtended strand (participates in β ladder)trans-73.9-14.3176.831.1-35.3000113.2
80E89.3Confident88Confident106 Ų10673 Ų7350%0.49537%0.374SS..EExtended strand (participates in β ladder)trans-70.9133.8179.2-68.8169.5-157.900111.7R78 Y82R78-E80 PolarHBondContact O-N 3.44Å; E80-Y82 HydrophobicContact CB-CE2 4.11Å; E80-Y82 PolarHBondContact OE2-OH 3.38Å
81I91.4Very high87.3Confident52 Ų5273.5 Ų73.527%0.26738%0.377SS..EExtended strand (participates in β ladder)trans-110.2123.7175.7-63.4143.7000107.8R67 I69 A132 Q133 L135 P136R67-I81 HydrophobicContact CB-CG2 4.11Å; R67-I81 HydrophobicContact CG-CG2 4.43Å; I69-I81 HydrophobicContact CG2-CG1 4.49Å; I81-A132 WeakPolarHBondContact CD1-O 3.44Å; I81-Q133 VanDerWaalsContact CD1-O 3.29Å; I81-Q133 WeakPolarHBondContact CD1-O 3.16Å; I81-L135 HydrophobicContact CG2-CD1 4.23Å; I81-P136 HydrophobicContact CD1-CG 4.34Å; I81-P136 HydrophobicContact CG1-CG 3.94Å
82Y91.7Very high86.9Confident36 Ų3675.4 Ų75.414%0.14138%0.384CS..EExtended strand (participates in β ladder)trans-91.7121.3-178.8-63.6-88.7000109.4F60 A68 I70 E80 H87F60-Y82 HydrophobicContact CZ-CG 4.27Å; A68-Y82 PolarHBondContact N-O 2.89Å; A68-Y82 VanDerWaalsContact N-O 3.09Å; A68-Y82 PolarHBondContact O-N 3.24Å; I70-Y82 HydrophobicContact CB-CE2 4.08Å; I70-Y82 HydrophobicContact CD1-CD2 3.88Å; I70-Y82 HydrophobicContact CD1-CE1 4.24Å; I70-Y82 HydrophobicContact CD1-CE2 3.22Å; I70-Y82 VanDerWaalsContact CD1-CZ 3.44Å; I70-Y82 HydrophobicContact CG1-CD2 3.82Å; I70-Y82 HydrophobicContact CG1-CE2 3.42Å; I70-Y82 VanDerWaalsContact CG1-CE2 3.42Å; E80-Y82 HydrophobicContact CB-CE2 4.11Å; E80-Y82 PolarHBondContact OE2-OH 3.38Å; Y82-H87 HydrophobicContact CD1-CB 4.26Å; Y82-H87 AromaticContact CD1-CG 3.83Å; Y82-H87 AromaticContact CD1-ND1 3.57Å
83P90.8Very high86.7Confident65 Ų6579.6 Ų79.642%0.42240%0.402SS..  trans-69.3178.2176.630.4-35.1000111.7H87P83-H87 PolarHBondContact O-CD2 3.28Å; P83-H87 PolarHBondContact O-NE2 3.19Å
84E89.8Confident86.9Confident104 Ų10472.5 Ų72.549%0.48638%0.375SS..SBendtrans-54.2145168.660.8-146.9-147.100111.9V62 R67V62-E84 WeakPolarHBondContact O-CA 3.45Å; R67-E84 IonicContact CZ-OE2 3.92Å; R67-E84 IonicContact NH1-OE2 3.85Å; R67-E84 PolarHBondContact NH1-OE2 2.86Å; R67-E84 IonicContact NH2-OE2 3.38Å
85G89.8Confident87.2Confident34 Ų3469.6 Ų69.635%0.35136%0.355SS..EExtended strand (participates in β ladder)trans124.9-177.4-176.900000114.3S61 V62 H87S61-G85 WeakPolarHBondContact CA-O 3.45Å; V62-G85 PolarHBondContact N-O 3.39Å; V62-G85 PolarHBondContact O-N 3.35Å; G85-H87 PolarHBondContact O-CD2 2.9Å
86L88.6Confident87.6Confident117 Ų11767.1 Ų67.161%0.61334%0.337SS*.EExtended strand (participates in β ladder)trans-87.6123.6179.3-176.571.1000110.3
87H88.8Confident87.7Confident34 Ų3467 Ų6716%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-123.8155.3178.3-63.9-71.8000110.8F60 Y82 P83 G85F60-H87 HydrophobicContact CD1-CB 4Å; F60-H87 WeakPolarHBondContact CD1-O 3.45Å; F60-H87 HydrophobicContact CD2-CB 4.47Å; F60-H87 HydrophobicContact CE1-CB 3.42Å; F60-H87 VanDerWaalsContact CE1-CB 3.42Å; F60-H87 HydrophobicContact CE2-CB 3.94Å; F60-H87 HydrophobicContact CZ-CB 3.39Å; F60-H87 PolarHBondContact N-O 2.99Å; F60-H87 PolarHBondContact O-N 3.48Å; Y82-H87 HydrophobicContact CD1-CB 4.26Å; Y82-H87 AromaticContact CD1-CG 3.83Å; Y82-H87 AromaticContact CD1-ND1 3.57Å; P83-H87 PolarHBondContact O-CD2 3.28Å; P83-H87 PolarHBondContact O-NE2 3.19Å; G85-H87 PolarHBondContact O-CD2 2.9Å
88F84.9Confident87.8Confident138 Ų13869.6 Ų69.661%0.60535%0.346SS*.EExtended strand (participates in β ladder)trans-100.8139.3178.3-65.3-79.8000111F58F58-F88 CarbonylContact O-C 3.52Å; F58-F88 VanDerWaalsContact O-CA 3.28Å; F58-F88 WeakPolarHBondContact O-CA 3.46Å
89R84.7Confident88.1Confident50 Ų5066.3 Ų66.319%0.18933%0.334CS..  trans-132.3155.1175.866.1175.6-178.195.76.4110.9Q57 F58 F60 P91 Q94Q57-R89 PolarHBondContact O-NE 2.91Å; Q57-R89 PolarHBondContact O-NH2 3.22Å; F58-R89 VanDerWaalsContact CA-O 3.31Å; F58-R89 WeakPolarHBondContact CA-O 3.46Å; F58-R89 WeakPolarHBondContact CD1-O 3.49Å; F58-R89 PolarHBondContact O-N 3.12Å; F60-R89 HydrophobicContact CD1-CB 3.81Å; F60-R89 HydrophobicContact CD1-CG 3.87Å; F60-R89 HydrophobicContact CE1-CB 3.99Å; R89-P91 VanDerWaalsContact NH1-CA 3.35Å; R89-P91 WeakPolarHBondContact O-CD 3.35Å; R89-Q94 VanDerWaalsContact CA-OE1 3.29Å; R89-Q94 HydrophobicContact CB-CB 4.26Å
90L85.3Confident88.3Confident88 Ų8863 Ų6346%0.46131%0.31SS..  trans-91.7110.1169.1-67.4170.1000109.7F58 W92 F93 Q94F58-L90 HydrophobicContact CD1-CD2 4.31Å; F58-L90 HydrophobicContact CE1-CD2 3.94Å; L90-W92 VanDerWaalsContact C-N 3.27Å; L90-W92 PolarHBondContact O-N 3.49Å; L90-W92 VanDerWaalsContact O-N 3.09Å; L90-F93 PolarHBondContact O-N 2.86Å; L90-F93 VanDerWaalsContact O-N 3.16Å; L90-Q94 HydrophobicContact CB-CG 4.31Å; L90-Q94 WeakPolarHBondContact O-CB 3.27Å; L90-Q94 PolarHBondContact O-N 2.99Å
91P76.7Confident88.4Confident10 Ų1059 Ų597%0.06529%0.293CS..THydrogen-bonded Turntrans-62.6-26.9-164.121-32.5000115.6Q57 R89Q57-P91 HydrophobicContact CB-CB 3.9Å; Q57-P91 HydrophobicContact CB-CG 4.09Å; R89-P91 VanDerWaalsContact NH1-CA 3.35Å; R89-P91 WeakPolarHBondContact O-CD 3.35Å
92W81.5Confident88.5Confident130 Ų13063 Ų6349%0.49231%0.305SS..THydrogen-bonded Turntrans-81.9-32.7179.5-60.9-51.4000114.1F51 V53 L90 Y95F51-W92 HydrophobicContact CD1-CH2 4.41Å; F51-W92 AromaticContact CE1-CH2 3.69Å; F51-W92 HydrophobicContact CE1-CH2 3.69Å; F51-W92 AromaticContact CE1-CZ3 3.96Å; F51-W92 HydrophobicContact CE1-CZ3 3.96Å; F51-W92 AromaticContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CH2 3.9Å; F51-W92 HydrophobicContact CZ-CZ3 4.09Å; V53-W92 HydrophobicContact CB-CH2 4.28Å; V53-W92 HydrophobicContact CG1-CH2 3.81Å; V53-W92 HydrophobicContact CG1-CZ2 3.99Å; V53-W92 HydrophobicContact CG1-CZ3 4.38Å; V53-W92 HydrophobicContact CG2-CH2 3.46Å; V53-W92 VanDerWaalsContact CG2-CH2 3.46Å; V53-W92 HydrophobicContact CG2-CZ2 4.14Å; V53-W92 HydrophobicContact CG2-CZ3 4.28Å; L90-W92 VanDerWaalsContact C-N 3.27Å; L90-W92 PolarHBondContact O-N 3.49Å; L90-W92 VanDerWaalsContact O-N 3.09Å; W92-Y95 PolarHBondContact O-OH 3Å
93F85.8Confident88.6Confident93 Ų9363.4 Ų63.441%0.40832%0.316SS..THydrogen-bonded Turntrans-107-26.8-171.3-61.9-75.3000113.3S72 R73 L74 L90S72-F93 CarbonylContact C-O 3.53Å; S72-F93 VanDerWaalsContact CA-O 3.26Å; S72-F93 WeakPolarHBondContact CA-O 3.45Å; R73-F93 PolarHBondContact N-O 3.41Å; L74-F93 HydrophobicContact CD1-CD1 3.89Å; L74-F93 HydrophobicContact CD1-CE1 4.2Å; L74-F93 HydrophobicContact CD1-CG 4.49Å; L74-F93 HydrophobicContact CG-CD1 4.21Å; L90-F93 PolarHBondContact O-N 2.86Å; L90-F93 VanDerWaalsContact O-N 3.16Å
94Q88.6Confident88.8Confident14 Ų1465.5 Ų65.57%0.06532%0.316CS..EExtended strand (participates in β ladder)trans-117.8122.2-170.5-67.9176.8-7.200111.7I70 Y71 R78 R89 L90I70-Q94 HydrophobicContact CG2-CB 3.64Å; I70-Q94 HydrophobicContact CG2-CG 3.77Å; Y71-Q94 WeakPolarHBondContact O-CA 3.47Å; R78-Q94 VanDerWaalsContact CZ-NE2 3.31Å; R78-Q94 VanDerWaalsContact NH2-NE2 3.18Å; R89-Q94 VanDerWaalsContact CA-OE1 3.29Å; R89-Q94 HydrophobicContact CB-CB 4.26Å; L90-Q94 HydrophobicContact CB-CG 4.31Å; L90-Q94 WeakPolarHBondContact O-CB 3.27Å; L90-Q94 PolarHBondContact O-N 2.99Å
95Y89.4Confident89Confident84 Ų8464.7 Ų64.733%0.32932%0.32SS..EExtended strand (participates in β ladder)trans-113.9114.2178.2-62.8-92.4000108.8Y71 R73 W92Y71-Y95 HydrophobicContact CD1-CD2 4.29Å; Y71-Y95 PolarHBondContact N-O 3.08Å; Y71-Y95 PolarHBondContact O-N 2.91Å; R73-Y95 HydrophobicContact CG-CD2 4.45Å; R73-Y95 HydrophobicContact CG-CE2 3.89Å; R73-Y95 VanDerWaalsContact CZ-OH 3.23Å; R73-Y95 PolarHBondContact NE-OH 3.48Å; R73-Y95 PolarHBondContact NH2-OH 3.2Å; W92-Y95 PolarHBondContact O-OH 3Å
96P90.2Very high89.2Confident41 Ų4164.9 Ų64.927%0.26631%0.311SS..EExtended strand (participates in β ladder)trans-75.4130.1175.931.1-33.1000109.6F60 I69F60-P96 HydrophobicContact CB-CG 4.41Å; F60-P96 HydrophobicContact CD1-CB 4.48Å; F60-P96 HydrophobicContact CD2-CB 3.92Å; F60-P96 HydrophobicContact CD2-CG 4.37Å; F60-P96 HydrophobicContact CE2-CB 3.98Å; F60-P96 HydrophobicContact CG-CB 4.17Å; F60-P96 HydrophobicContact CG-CG 4.23Å; F60-P96 HydrophobicContact CZ-CB 4.27Å; I69-P96 WeakPolarHBondContact O-CA 3.3Å
97I91Very high89.4Confident21 Ų2167.6 Ų67.611%0.10832%0.318CS..EExtended strand (participates in β ladder)trans-110.7116.4171.4-61.5142.5000106.5A68 I69 Y99 Y139 I144A68-I97 WeakPolarHBondContact CA-O 3.42Å; I69-I97 HydrophobicContact CD1-CB 4.35Å; I69-I97 HydrophobicContact CD1-CD1 4.31Å; I69-I97 HydrophobicContact CD1-CG2 4.49Å; I69-I97 HydrophobicContact CG1-CB 3.8Å; I69-I97 HydrophobicContact CG1-CD1 4.23Å; I69-I97 HydrophobicContact CG1-CG2 4.32Å; I69-I97 PolarHBondContact N-O 3.42Å; I69-I97 PolarHBondContact O-N 3.45Å; I97-Y99 HydrophobicContact CG2-CD2 4.15Å; I97-Y99 HydrophobicContact CG2-CE2 3.8Å; I97-Y139 HydrophobicContact CD1-CD1 4.34Å; I97-Y139 HydrophobicContact CD1-CD2 4.16Å; I97-Y139 HydrophobicContact CD1-CE1 3.73Å; I97-Y139 HydrophobicContact CD1-CE2 3.53Å; I97-Y139 WeakPolarHBondContact CD1-OH 3.24Å; I97-Y139 HydrophobicContact CG1-CE2 4.2Å; I97-Y139 HydrophobicContact CG2-CD2 4.12Å; I97-Y139 HydrophobicContact CG2-CE2 4.01Å; I97-I144 HydrophobicContact CG2-CD1 4.35Å; I97-I144 HydrophobicContact CG2-CG1 4.24Å
98V91.6Very high89.7Confident65 Ų6566.9 Ų66.939%0.39432%0.315SS..EExtended strand (participates in β ladder)trans-95.8123-175.6-175.30000109.3Q66 A68Q66-V98 HydrophobicContact CB-CG1 3.75Å; Q66-V98 HydrophobicContact CG-CG1 4.13Å; A68-V98 HydrophobicContact CB-CG2 4.33Å
99Y92.2Very high90.1Very high7 Ų763.1 Ų63.13%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-102.4137.1173.4-85.5-91.1000110.4Q66 R67 I69 I97 L135 Y139 G143 W146Q66-Y99 CarbonylContact C-O 3.59Å; Q66-Y99 WeakPolarHBondContact CA-O 3.34Å; Q66-Y99 WeakPolarHBondContact CB-O 3.4Å; R67-Y99 PolarHBondContact N-O 3.32Å; R67-Y99 PolarHBondContact O-N 2.86Å; I69-Y99 HydrophobicContact CD1-CD2 4.35Å; I69-Y99 HydrophobicContact CD1-CE2 3.78Å; I69-Y99 HydrophobicContact CG1-CD2 4.46Å; I69-Y99 HydrophobicContact CG1-CE2 4.32Å; I97-Y99 HydrophobicContact CG2-CD2 4.15Å; I97-Y99 HydrophobicContact CG2-CE2 3.8Å; Y99-L135 HydrophobicContact CD1-CD2 4.12Å; Y99-L135 HydrophobicContact CD2-CD2 4.37Å; Y99-L135 HydrophobicContact CG-CD2 3.91Å; Y99-Y139 HydrophobicContact CE2-CD2 4.03Å; Y99-Y139 HydrophobicContact CE2-CG 4.43Å; Y99-Y139 WeakPolarHBondContact OH-CA 3.35Å; Y99-Y139 WeakPolarHBondContact OH-CB 3.33Å; Y99-Y139 VanDerWaalsContact OH-CD2 3.26Å; Y99-Y139 WeakPolarHBondContact OH-CD2 3.49Å; Y99-G143 VanDerWaalsContact OH-C 3.29Å; Y99-G143 PolarHBondContact OH-O 3.42Å; Y99-W146 AromaticContact CE1-CD1 3.7Å
100D92Very high90.4Very high33 Ų3361 Ų6118%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-82.5118.6165.2-172.1-0.9000108.9R102 R104D100-R102 WeakPolarHBondContact OD1-CB 3.48Å; D100-R102 WeakPolarHBondContact OD1-CD 3.31Å; D100-R102 WeakPolarHBondContact OD1-CG 3.45Å; D100-R102 PolarHBondContact OD1-N 2.91Å; D100-R104 IonicContact OD2-CZ 3.99Å; D100-R104 VanDerWaalsContact OD2-CZ 3.3Å; D100-R104 IonicContact OD2-NE 3.68Å; D100-R104 PolarHBondContact OD2-NE 3.5Å; D100-R104 IonicContact OD2-NH2 2.67Å; D100-R104 PolarHBondContact OD2-NH2 3.34Å
101V92.1Very high90.8Very high23 Ų2360.9 Ų60.914%0.13930%0.303CS..  trans-96.86.9179.6-64.30000112.3G65 R67 P130 A132 L135G65-V101 WeakPolarHBondContact O-CG2 3.44Å; G65-V101 PolarHBondContact O-N 3.39Å; R67-V101 HydrophobicContact CB-CG1 3.97Å; R67-V101 HydrophobicContact CG-CG1 3.74Å; R67-V101 HydrophobicContact CG-CG2 4.03Å; V101-P130 HydrophobicContact CG1-CG 4.36Å; V101-A132 HydrophobicContact CG1-CB 4.37Å; V101-L135 HydrophobicContact CG1-CD1 4.11Å
102R93.6Very high91.6Very high135 Ų13560.5 Ų60.551%0.50930%0.301SS..SBendtrans-75.2152.1174.7-59.2171.1-174.3-171.23.7110.7G64 D100 R104G64-R102 PolarHBondContact O-NH2 3.34Å; D100-R102 WeakPolarHBondContact OD1-CB 3.48Å; D100-R102 WeakPolarHBondContact OD1-CD 3.31Å; D100-R102 WeakPolarHBondContact OD1-CG 3.45Å; D100-R102 PolarHBondContact OD1-N 2.91Å; R102-R104 PolarHBondContact O-N 2.86Å
103A94.2Very high92.2Very high46 Ų4655.8 Ų55.838%0.3829%0.293SS..  trans-66.5124.5175.400000110.8L127 D198A103-L127 HydrophobicContact CB-CD2 4.47Å; A103-D198 VanDerWaalsContact CB-OD2 3.29Å; A103-D198 WeakPolarHBondContact CB-OD2 3.47Å
104R93.7Very high92.6Very high108 Ų10851.6 Ų51.641%0.40828%0.275SS..EExtended strand (participates in β ladder)trans-113.2134.4177.1-68.1-179176-171.2-4.8110.4D100 R102 H106 S128D100-R104 IonicContact OD2-CZ 3.99Å; D100-R104 VanDerWaalsContact OD2-CZ 3.3Å; D100-R104 IonicContact OD2-NE 3.68Å; D100-R104 PolarHBondContact OD2-NE 3.5Å; D100-R104 IonicContact OD2-NH2 2.67Å; D100-R104 PolarHBondContact OD2-NH2 3.34Å; R102-R104 PolarHBondContact O-N 2.86Å; R104-H106 PolarHBondContact O-CD2 3.3Å; R104-S128 PolarHBondContact N-O 3.29Å; R104-S128 PolarHBondContact O-N 3.04Å
105P94.5Very high92.9Very high88 Ų8857.3 Ų57.357%0.57130%0.3SS*.EExtended strand (participates in β ladder)trans-82.7129.6176.831.5-31.8000110.8V126 L127P105-V126 CarbonylContact C-O 3.46Å; P105-V126 WeakPolarHBondContact CA-O 3.1Å; P105-L127 HydrophobicContact CB-CD2 3.88Å
106H93.6Very high93.1Very high38 Ų3856 Ų5618%0.17630%0.298CS..EExtended strand (participates in β ladder)trans-119.9133.1172.7-61.8-85.5000109.7R104 R125 V126 S128 D147 L151R104-H106 PolarHBondContact O-CD2 3.3Å; H106-R125 WeakPolarHBondContact O-CA 3.42Å; H106-V126 PolarHBondContact N-O 3.49Å; H106-V126 PolarHBondContact O-N 2.87Å; H106-S128 PolarHBondContact CD2-OG 3.33Å; H106-S128 VanDerWaalsContact CD2-OG 3.31Å; H106-D147 IonicContact CE1-OD2 3.02Å; H106-D147 PolarHBondContact CE1-OD2 3.31Å; H106-D147 IonicContact NE2-OD2 3.41Å; H106-D147 PolarHBondContact NE2-OD2 3.22Å; H106-L151 HydrophobicContact CB-CD1 4.35Å
107K94.2Very high93.2Very high174 Ų17461.6 Ų61.676%0.75733%0.325SS*.EExtended strand (participates in β ladder)trans-103.1120.4172.9-67.9-176.9-178.2178.50108.6L124K107-L124 CarbonylContact C-O 3.58Å; K107-L124 WeakPolarHBondContact CA-O 3.44Å
108I93.7Very high93.3Very high18 Ų1864 Ų649%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-124.6123.2-178.3-60.7167.1000107.5S123 L124 L151 C155I108-S123 WeakPolarHBondContact O-CA 3.47Å; I108-L124 PolarHBondContact N-O 3.36Å; I108-L124 PolarHBondContact O-N 3.27Å; I108-L151 HydrophobicContact CD1-CB 3.75Å; I108-C155 HydrophobicContact CD1-CB 4.06Å; I108-C155 HydrophobicContact CG2-CB 4.09Å
109S93.4Very high93.3Very high60 Ų6066.4 Ų66.442%0.4234%0.344SS..EExtended strand (participates in β ladder)trans-108135.4175-1580000109.8N121 I122 S123S109-N121 PolarHBondContact OG-OD1 3.44Å; S109-I122 WeakPolarHBondContact CA-O 3.36Å; S109-S123 PolarHBondContact OG-OG 2.93Å; S109-S123 VanDerWaalsContact OG-OG 3.05Å
110S92.4Very high93.4Very high5 Ų566.1 Ų66.14%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-138.1122.6179.4-158.50000111.4T112 I122 N156S110-T112 PolarHBondContact O-N 3.49Å; S110-I122 PolarHBondContact N-O 2.9Å; S110-I122 PolarHBondContact O-N 3.03Å; S110-N156 WeakPolarHBondContact CB-OD1 3.36Å; S110-N156 PolarHBondContact OG-OD1 2.87Å
111P93.1Very high93.5Very high85 Ų8567.6 Ų67.655%0.55235%0.351SS*.EExtended strand (participates in β ladder)trans-72.8122.9167.530.2-31.8000109.5M119P111-M119 HydrophobicContact CB-CE 4.13Å
112T93.3Very high93.6Very high3 Ų366.6 Ų66.62%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-134.2143.4-174.8-59.80000110.6S110 V120 K160 V163S110-T112 PolarHBondContact O-N 3.49Å; T112-V120 PolarHBondContact N-O 3.26Å; T112-V120 PolarHBondContact O-N 3.36Å; T112-V120 VanDerWaalsContact O-O 3.1Å; T112-K160 HydrophobicContact CG2-CB 4.35Å; T112-K160 HydrophobicContact CG2-CG 3.98Å; T112-V163 HydrophobicContact CG2-CB 3.59Å; T112-V163 HydrophobicContact CG2-CG1 3.72Å; T112-V163 HydrophobicContact CG2-CG2 4.15Å
113G93.2Very high93.7Very high31 Ų3161.1 Ų61.132%0.3233%0.328SS..EExtended strand (participates in β ladder)trans-82134.3172.300000111.9Q118G113-Q118 WeakPolarHBondContact CA-O 3.49Å
114S94.4Very high93.7Very high5 Ų559 Ų594%0.03531%0.309CS..  trans-80.8174170.560.90000112.2D116 L117 Q118S114-D116 WeakPolarHBondContact CB-OD1 3.21Å; S114-D116 PolarHBondContact O-N 2.87Å; S114-D116 PolarHBondContact OG-OD1 3.32Å; S114-L117 PolarHBondContact O-N 3.13Å; S114-Q118 PolarHBondContact N-O 3.37Å; S114-Q118 WeakPolarHBondContact OG-CB 3.26Å; S114-Q118 PolarHBondContact OG-N 3.16Å; S114-Q118 VanDerWaalsContact OG-N 3.13Å; S114-Q118 PolarHBondContact OG-O 3.16Å
115K95.2Very high93.8Very high134 Ų13457.2 Ų57.258%0.58330%0.303SS*.THydrogen-bonded Turntrans-57.6-31.5177.3-176.5173.8176.4179.70113.7L117 A164 F166 N167K115-L117 VanDerWaalsContact C-N 3.27Å; K115-L117 PolarHBondContact O-N 3.39Å; K115-A164 WeakPolarHBondContact CA-O 3.42Å; K115-A164 VanDerWaalsContact CB-O 3.32Å; K115-A164 WeakPolarHBondContact CB-O 3.39Å; K115-F166 VanDerWaalsContact CB-O 3.23Å; K115-F166 WeakPolarHBondContact CB-O 3.45Å; K115-F166 PolarHBondContact N-O 3.29Å; K115-N167 WeakPolarHBondContact CB-OD1 3.39Å; K115-N167 WeakPolarHBondContact CD-OD1 3.27Å
116D93.7Very high93.8Very high56 Ų5653 Ų5330%0.29928%0.276SS..THydrogen-bonded Turntrans-90.219.2177.256.5-30.1000113.4S114 Q118 A168S114-D116 WeakPolarHBondContact CB-OD1 3.21Å; S114-D116 PolarHBondContact O-N 2.87Å; S114-D116 PolarHBondContact OG-OD1 3.32Å; D116-Q118 PolarHBondContact O-N 3.49Å; D116-A168 PolarHBondContact OD1-N 3.01Å
117L92.2Very high93.9Very high158 Ų15853 Ų5383%0.82728%0.277SS*.SBendtrans57.727.4178.6-56.7175.3000113.7S114 K115S114-L117 PolarHBondContact O-N 3.13Å; K115-L117 VanDerWaalsContact C-N 3.27Å; K115-L117 PolarHBondContact O-N 3.39Å
118Q93.1Very high93.9Very high72 Ų7244.8 Ų44.834%0.33624%0.241SC..  trans-89.9139.7173.1-61.7-60.8-42.800110.1G113 S114 D116 V120 A168 Y211G113-Q118 WeakPolarHBondContact CA-O 3.49Å; S114-Q118 PolarHBondContact N-O 3.37Å; S114-Q118 WeakPolarHBondContact OG-CB 3.26Å; S114-Q118 PolarHBondContact OG-N 3.16Å; S114-Q118 VanDerWaalsContact OG-N 3.13Å; S114-Q118 PolarHBondContact OG-O 3.16Å; D116-Q118 PolarHBondContact O-N 3.49Å; Q118-V120 PolarHBondContact O-N 2.91Å; Q118-A168 HydrophobicContact CB-CB 4.18Å; Q118-A168 HydrophobicContact CG-CB 4.42Å; Q118-Y211 HydrophobicContact CG-CD2 3.91Å; Q118-Y211 HydrophobicContact CG-CE2 4.06Å
119M92.8Very high94Very high115 Ų11547.7 Ų47.757%0.56725%0.251SS*.EExtended strand (participates in β ladder)trans-78.2123.1173.9-68-57.5-61.400109.9P111P111-M119 HydrophobicContact CB-CE 4.13Å
120V93.4Very high94Very high1 Ų144.9 Ų44.91%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-122.6127.1178.6-169.10000108.4T112 Q118 I122 L171 L205 S206 F207T112-V120 PolarHBondContact N-O 3.26Å; T112-V120 PolarHBondContact O-N 3.36Å; T112-V120 VanDerWaalsContact O-O 3.1Å; Q118-V120 PolarHBondContact O-N 2.91Å; V120-I122 HydrophobicContact CB-CG1 4.4Å; V120-I122 HydrophobicContact CG1-CD1 4.13Å; V120-I122 HydrophobicContact CG1-CG1 3.71Å; V120-L171 HydrophobicContact CB-CD1 4.46Å; V120-L171 HydrophobicContact CG1-CD1 4.12Å; V120-L171 HydrophobicContact CG2-CD1 4.02Å; V120-L205 HydrophobicContact CG1-CD1 4.13Å; V120-L205 HydrophobicContact CG1-CG 4.03Å; V120-S206 WeakPolarHBondContact CA-O 3.47Å; V120-S206 WeakPolarHBondContact CG1-O 3.47Å; V120-F207 HydrophobicContact CB-CD1 4.46Å; V120-F207 HydrophobicContact CG1-CD1 4.1Å; V120-F207 HydrophobicContact CG1-CE1 3.91Å; V120-F207 HydrophobicContact CG2-CD1 3.83Å; V120-F207 HydrophobicContact CG2-CE1 3.82Å
121N94.2Very high94.1Very high65 Ų6546.4 Ų46.435%0.34824%0.239SC..EExtended strand (participates in β ladder)trans-97.9115.7172.2-179.225.5000109.1S109 S206S109-N121 PolarHBondContact OG-OD1 3.44Å; N121-S206 WeakPolarHBondContact CB-OG 3.33Å; N121-S206 PolarHBondContact N-O 3.05Å; N121-S206 PolarHBondContact O-N 3.08Å; N121-S206 PolarHBondContact O-OG 3.31Å
122I94.5Very high94.1Very high2 Ų243.7 Ų43.71%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-114.9123.8-174.9-56.1178.6000108.2S109 S110 V120 L124 L159 V163 I202 L205S109-I122 WeakPolarHBondContact CA-O 3.36Å; S110-I122 PolarHBondContact N-O 2.9Å; S110-I122 PolarHBondContact O-N 3.03Å; V120-I122 HydrophobicContact CB-CG1 4.4Å; V120-I122 HydrophobicContact CG1-CD1 4.13Å; V120-I122 HydrophobicContact CG1-CG1 3.71Å; I122-L124 HydrophobicContact CG2-CD2 4.17Å; I122-L124 HydrophobicContact CG2-CG 4.49Å; I122-L159 HydrophobicContact CB-CD2 4.46Å; I122-L159 HydrophobicContact CG2-CD2 3.99Å; I122-V163 HydrophobicContact CD1-CB 4.38Å; I122-V163 HydrophobicContact CD1-CG1 4.11Å; I122-V163 HydrophobicContact CD1-CG2 3.34Å; I122-I202 HydrophobicContact CG2-CG2 4.07Å; I122-L205 HydrophobicContact CD1-CD1 4.05Å; I122-L205 HydrophobicContact CG1-CD1 3.86Å
123S94.8Very high94Very high20 Ų2050.5 Ų50.514%0.1426%0.255CS..EExtended strand (participates in β ladder)trans-100.4126.1169.8-71.70000110.2I108 S109 I202 T203 E204I108-S123 WeakPolarHBondContact O-CA 3.47Å; S109-S123 PolarHBondContact OG-OG 2.93Å; S109-S123 VanDerWaalsContact OG-OG 3.05Å; S123-I202 CarbonylContact O-C 3.58Å; S123-T203 WeakPolarHBondContact CB-OG1 3.5Å; S123-T203 PolarHBondContact O-N 2.91Å; S123-T203 PolarHBondContact O-OG1 2.77Å; S123-E204 PolarHBondContact N-O 3.35Å
124L95Very high94Very high0 Ų052.7 Ų52.70%026%0.256CS..EExtended strand (participates in β ladder)trans-107.9139.5173.4-65.6-173.9000110.3K107 I108 I122 V126 L159 I182 L186 S201 I202K107-L124 CarbonylContact C-O 3.58Å; K107-L124 WeakPolarHBondContact CA-O 3.44Å; I108-L124 PolarHBondContact N-O 3.36Å; I108-L124 PolarHBondContact O-N 3.27Å; I122-L124 HydrophobicContact CG2-CD2 4.17Å; I122-L124 HydrophobicContact CG2-CG 4.49Å; L124-V126 HydrophobicContact CB-CG2 4.42Å; L124-L159 HydrophobicContact CD1-CD1 3.73Å; L124-L159 HydrophobicContact CD1-CD2 3.61Å; L124-L159 HydrophobicContact CD1-CG 3.69Å; L124-L159 HydrophobicContact CD2-CD2 4.19Å; L124-L159 HydrophobicContact CG-CD1 4.01Å; L124-L159 HydrophobicContact CG-CD2 3.95Å; L124-L159 HydrophobicContact CG-CG 4.32Å; L124-I182 HydrophobicContact CD1-CG2 4.05Å; L124-L186 HydrophobicContact CD1-CD1 4.14Å; L124-S201 WeakPolarHBondContact CA-O 3.39Å; L124-I202 HydrophobicContact CD2-CB 4.13Å; L124-I202 HydrophobicContact CD2-CG1 3.54Å
125R95.1Very high93.9Very high72 Ų7252.5 Ų52.527%0.27226%0.255SS..EExtended strand (participates in β ladder)trans-104.3120.7162.1-179.5-178.565.484.413.6108.5H106 D199 S201 T203H106-R125 WeakPolarHBondContact O-CA 3.42Å; R125-D199 IonicContact CZ-OD2 3.05Å; R125-D199 IonicContact NH1-OD2 3.9Å; R125-D199 IonicContact NH2-OD2 3.5Å; R125-D199 PolarHBondContact NH2-OD2 3.45Å; R125-S201 PolarHBondContact N-O 3.42Å; R125-S201 PolarHBondContact NE-OG 3.38Å; R125-S201 PolarHBondContact NH2-OG 3.1Å; R125-S201 PolarHBondContact O-N 3.3Å; R125-T203 HydrophobicContact CB-CG2 3.49Å; R125-T203 VanDerWaalsContact CB-CG2 3.49Å
126V95.2Very high93.8Very high0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-115.8126.7179.3-179.90000108.1P105 H106 L124 L197 V200P105-V126 CarbonylContact C-O 3.46Å; P105-V126 WeakPolarHBondContact CA-O 3.1Å; H106-V126 PolarHBondContact N-O 3.49Å; H106-V126 PolarHBondContact O-N 2.87Å; L124-V126 HydrophobicContact CB-CG2 4.42Å; V126-L197 HydrophobicContact CG1-CD1 4.38Å; V126-L197 HydrophobicContact CG1-CD2 3.61Å; V126-L197 HydrophobicContact CG1-CG 4.47Å; V126-V200 HydrophobicContact CG1-CG2 4.3Å; V126-V200 HydrophobicContact CG2-CG1 4.39Å; V126-V200 HydrophobicContact CG2-CG2 4.38Å
127L95.3Very high93.7Very high38 Ų3850.6 Ų50.620%0.19924%0.241CC..EExtended strand (participates in β ladder)trans-97.6113.3169.1-81.6159.6000107.5A103 P105 L197 D198 D199A103-L127 HydrophobicContact CB-CD2 4.47Å; P105-L127 HydrophobicContact CB-CD2 3.88Å; L127-L197 CarbonylContact O-C 3.51Å; L127-L197 WeakPolarHBondContact O-CA 3.48Å; L127-D198 HydrophobicContact CB-CB 4.45Å; L127-D198 PolarHBondContact O-N 3.24Å; L127-D199 HydrophobicContact CB-CB 4.19Å; L127-D199 HydrophobicContact CD1-CB 3.82Å; L127-D199 PolarHBondContact N-O 2.92Å
128S95Very high93.7Very high0 Ų043 Ų430%020%0.202CC..EExtended strand (participates in β ladder)trans-127.8148.4-17552.60000112.1R104 H106 L151 I196R104-S128 PolarHBondContact N-O 3.29Å; R104-S128 PolarHBondContact O-N 3.04Å; H106-S128 PolarHBondContact CD2-OG 3.33Å; H106-S128 VanDerWaalsContact CD2-OG 3.31Å; S128-L151 WeakPolarHBondContact OG-CD1 3.47Å; S128-I196 WeakPolarHBondContact CA-O 3.44Å
129R94.3Very high93.7Very high79 Ų7942.5 Ų42.530%0.29820%0.197SC..EExtended strand (participates in β ladder)trans-141.7149.2170.162.1-172.6179.988.1-0.9109.8I196 D198R129-I196 HydrophobicContact CG-CB 3.99Å; R129-I196 HydrophobicContact CG-CG2 4.43Å; R129-I196 PolarHBondContact N-O 3.33Å; R129-I196 PolarHBondContact O-N 3.25Å; R129-D198 WeakPolarHBondContact CD-OD2 3.39Å; R129-D198 IonicContact CZ-OD1 3.26Å; R129-D198 IonicContact NE-OD1 3.39Å; R129-D198 PolarHBondContact NE-OD1 3.48Å; R129-D198 VanDerWaalsContact NE-OD1 3.08Å; R129-D198 IonicContact NE-OD2 3.46Å; R129-D198 PolarHBondContact NE-OD2 3.26Å; R129-D198 IonicContact NH2-OD1 2.68Å
130P94.7Very high93.6Very high1 Ų144.4 Ų44.41%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-74147.1174.732.1-30.3000109.6V101 A132 L135 I138 W146V101-P130 HydrophobicContact CG1-CG 4.36Å; P130-A132 PolarHBondContact O-N 2.84Å; P130-L135 HydrophobicContact CB-CD2 3.84Å; P130-L135 HydrophobicContact CG-CD2 3.95Å; P130-I138 HydrophobicContact CB-CD1 3.84Å; P130-W146 HydrophobicContact CB-CD2 4.47Å; P130-W146 HydrophobicContact CB-CZ2 4.17Å; P130-W146 VanDerWaalsContact CD-CZ2 3.45Å; P130-W146 HydrophobicContact CG-CZ2 4Å
131D94Very high93.4Very high37 Ų3748.5 Ų48.520%0.19822%0.223CC..  trans-69.8120.5170.9-168.3-17.5000110Q133 F134 L135 N194 I196D131-Q133 PolarHBondContact O-N 2.95Å; D131-Q133 PolarHBondContact OD1-N 3.13Å; D131-Q133 VanDerWaalsContact OD1-N 3.12Å; D131-F134 HydrophobicContact CB-CD2 4.13Å; D131-F134 PolarHBondContact O-N 3.05Å; D131-F134 VanDerWaalsContact O-N 3.13Å; D131-F134 WeakPolarHBondContact OD2-CD2 3.26Å; D131-L135 PolarHBondContact O-N 3.49Å; D131-N194 HydrophobicContact CB-CB 4.43Å; D131-N194 VanDerWaalsContact CB-O 3.3Å; D131-N194 WeakPolarHBondContact CB-O 3.48Å; D131-N194 PolarHBondContact N-O 3.25Å; D131-I196 HydrophobicContact CB-CD1 3.94Å; D131-I196 HydrophobicContact CB-CG1 4.25Å
132A91.9Very high93.2Very high29 Ų2946 Ų4624%0.2421%0.209CC..G310 helixtrans-58.1-32.1-177.600000112.4R67 I81 V101 P130 F134 L135R67-A132 HydrophobicContact CG-CB 4.45Å; I81-A132 WeakPolarHBondContact CD1-O 3.44Å; V101-A132 HydrophobicContact CG1-CB 4.37Å; P130-A132 PolarHBondContact O-N 2.84Å; A132-F134 VanDerWaalsContact C-N 3.33Å; A132-F134 PolarHBondContact O-N 3.44Å; A132-L135 WeakPolarHBondContact O-CG 3.42Å
133Q92.3Very high93Very high145 Ų14546.7 Ų46.768%0.67822%0.217SC*.G310 helixtrans-74.1-22-178.4-65-172.7-16.800113.5I81 D131I81-Q133 VanDerWaalsContact CD1-O 3.29Å; I81-Q133 WeakPolarHBondContact CD1-O 3.16Å; D131-Q133 PolarHBondContact O-N 2.95Å; D131-Q133 PolarHBondContact OD1-N 3.13Å; D131-Q133 VanDerWaalsContact OD1-N 3.12Å
134F92.9Very high92.7Very high78 Ų7850.2 Ų50.234%0.34223%0.233SC..G310 helixtrans-113.613.2-174.8-63-75.2000113.4D131 A132 P136 R137 I138 N194D131-F134 HydrophobicContact CB-CD2 4.13Å; D131-F134 PolarHBondContact O-N 3.05Å; D131-F134 VanDerWaalsContact O-N 3.13Å; D131-F134 WeakPolarHBondContact OD2-CD2 3.26Å; A132-F134 VanDerWaalsContact C-N 3.33Å; A132-F134 PolarHBondContact O-N 3.44Å; F134-P136 VanDerWaalsContact C-CD 3.44Å; F134-P136 VanDerWaalsContact C-N 3.33Å; F134-R137 WeakPolarHBondContact O-CA 3.37Å; F134-R137 WeakPolarHBondContact O-CB 3.37Å; F134-R137 PolarHBondContact O-N 2.88Å; F134-I138 WeakPolarHBondContact O-CG1 3.43Å; F134-I138 PolarHBondContact O-N 3.44Å; F134-N194 HydrophobicContact CB-CB 3.64Å; F134-N194 HydrophobicContact CD2-CB 4.12Å; F134-N194 HydrophobicContact CG-CB 4.04Å
135L92.6Very high92.5Very high0 Ų054.3 Ų54.30%026%0.255CS..Hα-helixtrans-50.5-42.3178.3-68.2173.5000114.3R67 I69 I81 Y99 V101 P130 D131 A132 R137 I138 Y139R67-L135 HydrophobicContact CB-CD1 3.43Å; R67-L135 VanDerWaalsContact CB-CD1 3.43Å; R67-L135 HydrophobicContact CG-CD1 4.21Å; I69-L135 HydrophobicContact CG2-CB 3.79Å; I81-L135 HydrophobicContact CG2-CD1 4.23Å; Y99-L135 HydrophobicContact CD1-CD2 4.12Å; Y99-L135 HydrophobicContact CD2-CD2 4.37Å; Y99-L135 HydrophobicContact CG-CD2 3.91Å; V101-L135 HydrophobicContact CG1-CD1 4.11Å; P130-L135 HydrophobicContact CB-CD2 3.84Å; P130-L135 HydrophobicContact CG-CD2 3.95Å; D131-L135 PolarHBondContact O-N 3.49Å; A132-L135 WeakPolarHBondContact O-CG 3.42Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.39Å; L135-I138 HydrophobicContact CD2-CD1 4.48Å; L135-I138 PolarHBondContact O-N 3.47Å; L135-Y139 WeakPolarHBondContact O-CB 3.48Å; L135-Y139 PolarHBondContact O-N 3.44Å
136P92Very high92.3Very high10 Ų1051.4 Ų51.47%0.06524%0.244CC..Hα-helixtrans-61.7-35176.2-24.135.1000113I69 V77 I81 F134 R140I69-P136 HydrophobicContact CG2-CG 4.07Å; V77-P136 HydrophobicContact CG1-CB 4.08Å; I81-P136 HydrophobicContact CD1-CG 4.34Å; I81-P136 HydrophobicContact CG1-CG 3.94Å; F134-P136 VanDerWaalsContact C-CD 3.44Å; F134-P136 VanDerWaalsContact C-N 3.33Å; P136-R140 VanDerWaalsContact O-CG 3.26Å; P136-R140 WeakPolarHBondContact O-CG 3.22Å; P136-R140 PolarHBondContact O-N 2.87Å
137R92.7Very high92.1Very high140 Ų14052.1 Ų52.153%0.52825%0.248SC..Hα-helixtrans-72.6-46.7177.3-173176-178.5-1790.5110.5F134 L135 Y139 R140 T141F134-R137 WeakPolarHBondContact O-CA 3.37Å; F134-R137 WeakPolarHBondContact O-CB 3.37Å; F134-R137 PolarHBondContact O-N 2.88Å; L135-R137 VanDerWaalsContact C-N 3.27Å; L135-R137 PolarHBondContact O-N 3.39Å; R137-Y139 VanDerWaalsContact C-N 3.33Å; R137-Y139 PolarHBondContact O-N 3.14Å; R137-R140 PolarHBondContact O-N 3.45Å; R137-R140 VanDerWaalsContact O-N 3.17Å; R137-T141 PolarHBondContact O-N 2.95Å; R137-T141 PolarHBondContact O-OG1 3Å
138I93Very high91.9Very high0 Ų057.2 Ų57.20%027%0.271CS..Hα-helixtrans-55.9-47.8176.7-66.2168.8000110.4P130 F134 L135 R140 T141 L142 G143 W146 N194P130-I138 HydrophobicContact CB-CD1 3.84Å; F134-I138 WeakPolarHBondContact O-CG1 3.43Å; F134-I138 PolarHBondContact O-N 3.44Å; L135-I138 HydrophobicContact CD2-CD1 4.48Å; L135-I138 PolarHBondContact O-N 3.47Å; I138-R140 PolarHBondContact O-N 3.49Å; I138-T141 PolarHBondContact O-N 2.87Å; I138-T141 PolarHBondContact O-OG1 3.27Å; I138-L142 HydrophobicContact CG2-CD1 4.31Å; I138-L142 WeakPolarHBondContact O-CA 3.36Å; I138-L142 WeakPolarHBondContact O-CB 3.37Å; I138-L142 PolarHBondContact O-N 2.98Å; I138-G143 PolarHBondContact O-N 2.86Å; I138-W146 HydrophobicContact CG2-CB 3.85Å; I138-W146 HydrophobicContact CG2-CG 4.11Å; I138-N194 HydrophobicContact CD1-CB 4.16Å; I138-N194 WeakPolarHBondContact CD1-O 3.42Å; I138-N194 HydrophobicContact CG1-CB 4.19Å
139Y92.2Very high91.6Very high60 Ų6064.4 Ų64.424%0.23530%0.298CS..Hα-helixtrans-62.8-40.3178.5178.9-98.1000112.6I69 V77 I97 Y99 L135 R137 G143 I144I69-Y139 HydrophobicContact CD1-CD1 3.86Å; I69-Y139 HydrophobicContact CD1-CD2 3.99Å; I69-Y139 HydrophobicContact CD1-CG 3.45Å; I69-Y139 VanDerWaalsContact CD1-CG 3.45Å; V77-Y139 HydrophobicContact CG1-CD1 4.23Å; V77-Y139 HydrophobicContact CG2-CD1 3.47Å; V77-Y139 VanDerWaalsContact CG2-CD1 3.47Å; V77-Y139 HydrophobicContact CG2-CE1 3.55Å; I97-Y139 HydrophobicContact CD1-CD1 4.34Å; I97-Y139 HydrophobicContact CD1-CD2 4.16Å; I97-Y139 HydrophobicContact CD1-CE1 3.73Å; I97-Y139 HydrophobicContact CD1-CE2 3.53Å; I97-Y139 WeakPolarHBondContact CD1-OH 3.24Å; I97-Y139 HydrophobicContact CG1-CE2 4.2Å; I97-Y139 HydrophobicContact CG2-CD2 4.12Å; I97-Y139 HydrophobicContact CG2-CE2 4.01Å; Y99-Y139 HydrophobicContact CE2-CD2 4.03Å; Y99-Y139 HydrophobicContact CE2-CG 4.43Å; Y99-Y139 WeakPolarHBondContact OH-CA 3.35Å; Y99-Y139 WeakPolarHBondContact OH-CB 3.33Å; Y99-Y139 VanDerWaalsContact OH-CD2 3.26Å; Y99-Y139 WeakPolarHBondContact OH-CD2 3.49Å; L135-Y139 WeakPolarHBondContact O-CB 3.48Å; L135-Y139 PolarHBondContact O-N 3.44Å; R137-Y139 VanDerWaalsContact C-N 3.33Å; R137-Y139 PolarHBondContact O-N 3.14Å; Y139-G143 WeakPolarHBondContact O-CA 3.34Å; Y139-G143 PolarHBondContact O-N 3.37Å; Y139-G143 VanDerWaalsContact O-N 3.11Å; Y139-I144 HydrophobicContact CD2-CG1 4.13Å; Y139-I144 HydrophobicContact CE2-CD1 4.36Å; Y139-I144 HydrophobicContact CE2-CG1 3.8Å
140R89.8Confident91.5Very high155 Ų15561 Ų6159%0.58529%0.286SS*.Hα-helixtrans-67.1-37.9178-73.8175.5-170.1171.22.6113V77 P136 R137 I138V77-R140 HydrophobicContact CB-CG 4.26Å; V77-R140 HydrophobicContact CG2-CG 4.05Å; V77-R140 PolarHBondContact O-NH2 2.89Å; P136-R140 VanDerWaalsContact O-CG 3.26Å; P136-R140 WeakPolarHBondContact O-CG 3.22Å; P136-R140 PolarHBondContact O-N 2.87Å; R137-R140 PolarHBondContact O-N 3.45Å; R137-R140 VanDerWaalsContact O-N 3.17Å; I138-R140 PolarHBondContact O-N 3.49Å
141T90.4Very high91.4Very high88 Ų8861.3 Ų61.354%0.5429%0.287SS..Hα-helixtrans-91.4-39.6-174.953.30000113.2R137 I138R137-T141 PolarHBondContact O-N 2.95Å; R137-T141 PolarHBondContact O-OG1 3Å; I138-T141 PolarHBondContact O-N 2.87Å; I138-T141 PolarHBondContact O-OG1 3.27Å
142L89.9Confident91.4Very high12 Ų1261.8 Ų61.86%0.06329%0.292CS..THydrogen-bonded Turntrans-113.3-27.1-170.2-55.5-178.6000113.1I138 W146 R149 V150 F193 I195I138-L142 HydrophobicContact CG2-CD1 4.31Å; I138-L142 WeakPolarHBondContact O-CA 3.36Å; I138-L142 WeakPolarHBondContact O-CB 3.37Å; I138-L142 PolarHBondContact O-N 2.98Å; L142-W146 HydrophobicContact CB-CB 3.86Å; L142-W146 HydrophobicContact CD1-CB 3.98Å; L142-R149 VanDerWaalsContact O-CZ 3.3Å; L142-R149 PolarHBondContact O-NH1 3.26Å; L142-V150 HydrophobicContact CD1-CB 4.47Å; L142-V150 HydrophobicContact CD1-CG2 3.55Å; L142-V150 HydrophobicContact CD2-CG2 3.28Å; L142-V150 HydrophobicContact CG-CG2 3.94Å; L142-F193 HydrophobicContact CD1-CB 4.39Å; L142-F193 HydrophobicContact CD1-CD1 4.47Å; L142-F193 HydrophobicContact CD2-CD1 4.24Å; L142-I195 HydrophobicContact CD1-CD1 4.31Å
143G90.1Very high91.4Very high16 Ų1664.3 Ų64.317%0.16531%0.308CS..  trans83-164.2-174.300000113.3Y99 I138 Y139Y99-G143 VanDerWaalsContact OH-C 3.29Å; Y99-G143 PolarHBondContact OH-O 3.42Å; I138-G143 PolarHBondContact O-N 2.86Å; Y139-G143 WeakPolarHBondContact O-CA 3.34Å; Y139-G143 PolarHBondContact O-N 3.37Å; Y139-G143 VanDerWaalsContact O-N 3.11Å
144I88.5Confident91.5Very high95 Ų9558 Ų5849%0.48728%0.279SS..SBendtrans-70.4-39.4-177.6-57.5174.1000110.6I97 Y139 W146I97-I144 HydrophobicContact CG2-CD1 4.35Å; I97-I144 HydrophobicContact CG2-CG1 4.24Å; Y139-I144 HydrophobicContact CD2-CG1 4.13Å; Y139-I144 HydrophobicContact CE2-CD1 4.36Å; Y139-I144 HydrophobicContact CE2-CG1 3.8Å; I144-W146 VanDerWaalsContact O-CD1 3.24Å; I144-W146 PolarHBondContact O-N 2.88Å
145D90.7Very high91.7Very high85 Ų8554.3 Ų54.346%0.45526%0.263SS..  trans-88.552.2-178.5-43.5-46.4000111.4D147 R149D145-D147 VanDerWaalsContact C-N 3.31Å; D145-D147 PolarHBondContact O-N 2.82Å; D145-R149 VanDerWaalsContact O-CB 3.27Å; D145-R149 WeakPolarHBondContact O-CB 3.27Å; D145-R149 PolarHBondContact O-N 2.84Å
146W91.8Very high91.7Very high12 Ų1256.7 Ų56.75%0.04528%0.276CS..Hα-helixtrans-65.6-35.1-175.462.7-86.4000112.5Y99 P130 I138 L142 I144 V150 I195Y99-W146 AromaticContact CE1-CD1 3.7Å; P130-W146 HydrophobicContact CB-CD2 4.47Å; P130-W146 HydrophobicContact CB-CZ2 4.17Å; P130-W146 VanDerWaalsContact CD-CZ2 3.45Å; P130-W146 HydrophobicContact CG-CZ2 4Å; I138-W146 HydrophobicContact CG2-CB 3.85Å; I138-W146 HydrophobicContact CG2-CG 4.11Å; L142-W146 HydrophobicContact CB-CB 3.86Å; L142-W146 HydrophobicContact CD1-CB 3.98Å; I144-W146 VanDerWaalsContact O-CD1 3.24Å; I144-W146 PolarHBondContact O-N 2.88Å; W146-V150 WeakPolarHBondContact O-CB 3.26Å; W146-V150 PolarHBondContact O-N 3.48Å; W146-I195 HydrophobicContact CE3-CD1 3.55Å; W146-I195 HydrophobicContact CE3-CG1 3.69Å; W146-I195 HydrophobicContact CE3-CG2 4.27Å; W146-I195 HydrophobicContact CH2-CG2 4.28Å; W146-I195 HydrophobicContact CZ3-CB 4.32Å; W146-I195 HydrophobicContact CZ3-CD1 3.88Å; W146-I195 HydrophobicContact CZ3-CG1 3.85Å; W146-I195 HydrophobicContact CZ3-CG2 3.52Å
147D89.9Confident91.9Very high15 Ų1560.5 Ų60.58%0.0829%0.293CS..Hα-helixtrans-70.3-52.5-17850.1-4.8000111.2H106 D145 R149 L151H106-D147 IonicContact CE1-OD2 3.02Å; H106-D147 PolarHBondContact CE1-OD2 3.31Å; H106-D147 IonicContact NE2-OD2 3.41Å; H106-D147 PolarHBondContact NE2-OD2 3.22Å; D145-D147 VanDerWaalsContact C-N 3.31Å; D145-D147 PolarHBondContact O-N 2.82Å; D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.88Å; D147-L151 HydrophobicContact CB-CD1 3.78Å; D147-L151 WeakPolarHBondContact O-CB 3.41Å; D147-L151 VanDerWaalsContact O-CG 3.25Å; D147-L151 WeakPolarHBondContact O-CG 3.27Å; D147-L151 PolarHBondContact O-N 2.88Å
148E90.5Very high92Very high144 Ų14454 Ų5467%0.67327%0.268SS*.Hα-helixtrans-65.2-32.3179.9-65.7-170.7172.200112.9P152E148-P152 WeakPolarHBondContact O-CD 3.36Å; E148-P152 VanDerWaalsContact O-CG 3.28Å; E148-P152 WeakPolarHBondContact O-CG 3.39Å
149R89.1Confident92.1Very high152 Ų15254 Ų5457%0.57427%0.268SS*.Hα-helixtrans-77.5-44-178-173.3169.9-62.9170.84113L142 D145 D147L142-R149 VanDerWaalsContact O-CZ 3.3Å; L142-R149 PolarHBondContact O-NH1 3.26Å; D145-R149 VanDerWaalsContact O-CB 3.27Å; D145-R149 WeakPolarHBondContact O-CB 3.27Å; D145-R149 PolarHBondContact O-N 2.84Å; D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.88Å
150V92.3Very high92.2Very high8 Ų856.9 Ų56.95%0.04828%0.282CS..Hα-helixtrans-98.4-40.6-168.3177.20000112.5L142 W146 S153 I154 F193 I195L142-V150 HydrophobicContact CD1-CB 4.47Å; L142-V150 HydrophobicContact CD1-CG2 3.55Å; L142-V150 HydrophobicContact CD2-CG2 3.28Å; L142-V150 HydrophobicContact CG-CG2 3.94Å; W146-V150 WeakPolarHBondContact O-CB 3.26Å; W146-V150 PolarHBondContact O-N 3.48Å; V150-S153 PolarHBondContact O-N 3.47Å; V150-I154 HydrophobicContact CG1-CD1 3.3Å; V150-I154 HydrophobicContact CG1-CG1 3.85Å; V150-I154 PolarHBondContact O-N 2.93Å; V150-F193 HydrophobicContact CG1-CB 4.33Å; V150-F193 HydrophobicContact CG1-CD1 4.03Å; V150-F193 HydrophobicContact CG1-CD2 4.02Å; V150-F193 HydrophobicContact CG1-CE1 4.33Å; V150-F193 HydrophobicContact CG1-CE2 4.33Å; V150-F193 HydrophobicContact CG1-CG 3.84Å; V150-F193 HydrophobicContact CG1-CZ 4.46Å; V150-F193 HydrophobicContact CG2-CD1 4.4Å; V150-I195 HydrophobicContact CB-CD1 4.27Å; V150-I195 HydrophobicContact CG1-CD1 4.05Å
151L93.1Very high92.4Very high7 Ų751.9 Ų51.94%0.03727%0.271CS..Hα-helixtrans-61.7-45.2-172.8-63.3172.1000112.7H106 I108 S128 D147 S153 C155 L197H106-L151 HydrophobicContact CB-CD1 4.35Å; I108-L151 HydrophobicContact CD1-CB 3.75Å; S128-L151 WeakPolarHBondContact OG-CD1 3.47Å; D147-L151 HydrophobicContact CB-CD1 3.78Å; D147-L151 WeakPolarHBondContact O-CB 3.41Å; D147-L151 VanDerWaalsContact O-CG 3.25Å; D147-L151 WeakPolarHBondContact O-CG 3.27Å; D147-L151 PolarHBondContact O-N 2.88Å; L151-S153 VanDerWaalsContact C-N 3.27Å; L151-S153 PolarHBondContact O-N 3.37Å; L151-C155 WeakPolarHBondContact O-CB 3.41Å; L151-C155 PolarHBondContact O-N 3.26Å; L151-C155 PolarHBondContact O-SG 2.89Å; L151-L197 HydrophobicContact CD2-CD2 4.2Å
152P93.4Very high92.6Very high46 Ų4647.7 Ų47.730%0.29925%0.245SC..Hα-helixtrans-60.4-38177.7-2536.6000112.3E148 N156E148-P152 WeakPolarHBondContact O-CD 3.36Å; E148-P152 VanDerWaalsContact O-CG 3.28Å; E148-P152 WeakPolarHBondContact O-CG 3.39Å; P152-N156 WeakPolarHBondContact O-CB 3.34Å; P152-N156 PolarHBondContact O-N 2.85Å; P152-N156 PolarHBondContact O-ND2 3.5Å
153S93.4Very high92.8Very high82 Ų8247.1 Ų47.157%0.57324%0.242SC*.Hα-helixtrans-68-51.3-178.3-157.80000111.6V150 L151 N156 E157V150-S153 PolarHBondContact O-N 3.47Å; L151-S153 VanDerWaalsContact C-N 3.27Å; L151-S153 PolarHBondContact O-N 3.37Å; S153-N156 PolarHBondContact O-N 3.49Å; S153-E157 WeakPolarHBondContact O-CB 3.25Å; S153-E157 PolarHBondContact O-N 3.48Å
154I94.5Very high93Very high12 Ų1248.8 Ų48.86%0.06226%0.255CS..Hα-helixtrans-65.2-42178.5-59.5177.7000110.8V150 N156 E157 V158 L186 R189 F193V150-I154 HydrophobicContact CG1-CD1 3.3Å; V150-I154 HydrophobicContact CG1-CG1 3.85Å; V150-I154 PolarHBondContact O-N 2.93Å; I154-N156 PolarHBondContact O-N 3.45Å; I154-E157 PolarHBondContact O-N 2.97Å; I154-V158 HydrophobicContact CG2-CG2 4.22Å; I154-V158 WeakPolarHBondContact O-CB 3.36Å; I154-V158 WeakPolarHBondContact O-CG2 3.36Å; I154-V158 PolarHBondContact O-N 2.97Å; I154-L186 HydrophobicContact CG2-CD2 3.88Å; I154-R189 HydrophobicContact CG2-CB 3.54Å; I154-R189 HydrophobicContact CG2-CG 4.36Å; I154-F193 HydrophobicContact CD1-CD2 3.35Å; I154-F193 HydrophobicContact CD1-CE2 3.42Å; I154-F193 VanDerWaalsContact CD1-CE2 3.42Å; I154-F193 HydrophobicContact CD1-CG 4.27Å; I154-F193 HydrophobicContact CD1-CZ 4.39Å; I154-F193 HydrophobicContact CG1-CD2 4.4Å; I154-F193 HydrophobicContact CG1-CE2 4Å
155C95.5Very high93.3Very high2 Ų250 Ų501%0.01426%0.256CS..Hα-helixtrans-61.8-46179.2-70.50000111.6I108 L151 E157 L159I108-C155 HydrophobicContact CD1-CB 4.06Å; I108-C155 HydrophobicContact CG2-CB 4.09Å; L151-C155 WeakPolarHBondContact O-CB 3.41Å; L151-C155 PolarHBondContact O-N 3.26Å; L151-C155 PolarHBondContact O-SG 2.89Å; C155-E157 VanDerWaalsContact C-N 3.35Å; C155-E157 PolarHBondContact O-N 2.81Å; C155-L159 WeakPolarHBondContact O-CB 3.47Å; C155-L159 WeakPolarHBondContact O-CG 3.43Å; C155-L159 PolarHBondContact O-N 3Å
156N94.2Very high93.5Very high49 Ų4946.9 Ų46.926%0.26224%0.239SC..Hα-helixtrans-62.7-41.8177.6-72.6-22.2000112S110 P152 S153 I154 K160S110-N156 WeakPolarHBondContact CB-OD1 3.36Å; S110-N156 PolarHBondContact OG-OD1 2.87Å; P152-N156 WeakPolarHBondContact O-CB 3.34Å; P152-N156 PolarHBondContact O-N 2.85Å; P152-N156 PolarHBondContact O-ND2 3.5Å; S153-N156 PolarHBondContact O-N 3.49Å; I154-N156 PolarHBondContact O-N 3.45Å; N156-K160 WeakPolarHBondContact O-CB 3.34Å; N156-K160 WeakPolarHBondContact O-CG 3.29Å; N156-K160 PolarHBondContact O-N 3.26Å
157E94.3Very high93.7Very high90 Ų9048.9 Ų48.942%0.42125%0.25SS..Hα-helixtrans-64.2-50.7178.2-168.5-162.7137.300111.7S153 I154 C155 K160 S161 R189S153-E157 WeakPolarHBondContact O-CB 3.25Å; S153-E157 PolarHBondContact O-N 3.48Å; I154-E157 PolarHBondContact O-N 2.97Å; C155-E157 VanDerWaalsContact C-N 3.35Å; C155-E157 PolarHBondContact O-N 2.81Å; E157-K160 PolarHBondContact O-N 2.85Å; E157-S161 PolarHBondContact O-N 3.4Å; E157-S161 PolarHBondContact O-OG 3.31Å; E157-R189 IonicContact OE1-CZ 3.03Å; E157-R189 IonicContact OE1-NE 3.06Å; E157-R189 PolarHBondContact OE1-NE 3.29Å; E157-R189 IonicContact OE1-NH2 2.72Å; E157-R189 PolarHBondContact OE1-NH2 2.96Å; E157-R189 IonicContact OE2-NH2 3.3Å; E157-R189 PolarHBondContact OE2-NH2 3.39Å
158V95.1Very high93.8Very high3 Ų348.1 Ų48.12%0.01825%0.247CC..Hα-helixtrans-65.4-44.3-179.6172.90000110.6I154 K160 S161 V162 M185 L186 R189I154-V158 HydrophobicContact CG2-CG2 4.22Å; I154-V158 WeakPolarHBondContact O-CB 3.36Å; I154-V158 WeakPolarHBondContact O-CG2 3.36Å; I154-V158 PolarHBondContact O-N 2.97Å; V158-K160 VanDerWaalsContact C-N 3.34Å; V158-K160 PolarHBondContact O-N 3.21Å; V158-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-OG 3.28Å; V158-V162 HydrophobicContact CG1-CG2 4.06Å; V158-V162 WeakPolarHBondContact O-CG2 3.42Å; V158-V162 PolarHBondContact O-N 3.3Å; V158-M185 HydrophobicContact CG1-CB 3.8Å; V158-M185 HydrophobicContact CG1-CE 3.75Å; V158-M185 HydrophobicContact CG2-CB 4.45Å; V158-L186 HydrophobicContact CB-CD2 3.61Å; V158-L186 HydrophobicContact CB-CG 4.07Å; V158-L186 HydrophobicContact CG1-CD2 3.95Å; V158-L186 HydrophobicContact CG1-CG 3.82Å; V158-L186 HydrophobicContact CG2-CD2 3.73Å; V158-L186 HydrophobicContact CG2-CG 4.34Å; V158-R189 HydrophobicContact CG2-CG 3.93Å
159L95.1Very high93.8Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-55.1-49.4175.4-79.7172.9000111.5I122 L124 C155 S161 V162 V163 I182I122-L159 HydrophobicContact CB-CD2 4.46Å; I122-L159 HydrophobicContact CG2-CD2 3.99Å; L124-L159 HydrophobicContact CD1-CD1 3.73Å; L124-L159 HydrophobicContact CD1-CD2 3.61Å; L124-L159 HydrophobicContact CD1-CG 3.69Å; L124-L159 HydrophobicContact CD2-CD2 4.19Å; L124-L159 HydrophobicContact CG-CD1 4.01Å; L124-L159 HydrophobicContact CG-CD2 3.95Å; L124-L159 HydrophobicContact CG-CG 4.32Å; C155-L159 WeakPolarHBondContact O-CB 3.47Å; C155-L159 WeakPolarHBondContact O-CG 3.43Å; C155-L159 PolarHBondContact O-N 3Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.46Å; L159-V162 PolarHBondContact O-N 2.91Å; L159-V163 HydrophobicContact CD2-CG2 4.5Å; L159-V163 VanDerWaalsContact O-CB 3.22Å; L159-V163 WeakPolarHBondContact O-CB 3.48Å; L159-V163 WeakPolarHBondContact O-CG2 3.29Å; L159-V163 PolarHBondContact O-N 3.48Å; L159-I182 HydrophobicContact CD2-CD1 3.96Å
160K93.9Very high94.1Very high121 Ų12139.8 Ų39.853%0.52622%0.221SC..Hα-helixtrans-57.6-44.6177.3-73.5173.2-176.9-178.10112.6T112 N156 E157 V158 A164T112-K160 HydrophobicContact CG2-CB 4.35Å; T112-K160 HydrophobicContact CG2-CG 3.98Å; N156-K160 WeakPolarHBondContact O-CB 3.34Å; N156-K160 WeakPolarHBondContact O-CG 3.29Å; N156-K160 PolarHBondContact O-N 3.26Å; E157-K160 PolarHBondContact O-N 2.85Å; V158-K160 VanDerWaalsContact C-N 3.34Å; V158-K160 PolarHBondContact O-N 3.21Å; K160-A164 VanDerWaalsContact O-CB 3.24Å; K160-A164 WeakPolarHBondContact O-CB 3.49Å; K160-A164 PolarHBondContact O-N 3.27Å
161S94.3Very high94.1Very high50 Ų5039.4 Ų39.435%0.3522%0.218SC..Hα-helixtrans-70.8-33.4-179.569.90000114.3E157 V158 L159 K165 M185E157-S161 PolarHBondContact O-N 3.4Å; E157-S161 PolarHBondContact O-OG 3.31Å; V158-S161 PolarHBondContact O-N 2.99Å; V158-S161 PolarHBondContact O-OG 3.28Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 3.46Å; S161-K165 WeakPolarHBondContact O-CE 3.46Å; S161-M185 VanDerWaalsContact OG-CE 3.23Å; S161-M185 WeakPolarHBondContact OG-CE 3.41Å
162V94.6Very high94Very high0 Ų043.4 Ų43.40%024%0.239CC..Hα-helixtrans-76.5-51.8177.9179.10000111V158 L159 A164 K165 F166 V178 L181 I182 M185V158-V162 HydrophobicContact CG1-CG2 4.06Å; V158-V162 WeakPolarHBondContact O-CG2 3.42Å; V158-V162 PolarHBondContact O-N 3.3Å; L159-V162 PolarHBondContact O-N 2.91Å; V162-A164 VanDerWaalsContact C-N 3.26Å; V162-A164 PolarHBondContact O-N 2.91Å; V162-K165 WeakPolarHBondContact O-CB 3.39Å; V162-K165 PolarHBondContact O-N 2.96Å; V162-F166 HydrophobicContact CG1-CD2 4.26Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.43Å; V162-V178 HydrophobicContact CG1-CG1 4.02Å; V162-L181 HydrophobicContact CB-CD2 4.24Å; V162-L181 HydrophobicContact CG1-CD2 3.85Å; V162-L181 HydrophobicContact CG2-CD2 3.48Å; V162-L181 VanDerWaalsContact CG2-CD2 3.48Å; V162-I182 HydrophobicContact CB-CG1 3.99Å; V162-I182 HydrophobicContact CG1-CG1 3.85Å; V162-I182 HydrophobicContact CG2-CG1 3.82Å; V162-M185 HydrophobicContact CB-CE 4.36Å; V162-M185 HydrophobicContact CG2-CE 3.06Å; V162-M185 HydrophobicContact CG2-SD 4.42Å
163V94.1Very high93.9Very high0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-67-33.5-169175.20000110.6T112 I122 L159 K165 F166 L171T112-V163 HydrophobicContact CG2-CB 3.59Å; T112-V163 HydrophobicContact CG2-CG1 3.72Å; T112-V163 HydrophobicContact CG2-CG2 4.15Å; I122-V163 HydrophobicContact CD1-CB 4.38Å; I122-V163 HydrophobicContact CD1-CG1 4.11Å; I122-V163 HydrophobicContact CD1-CG2 3.34Å; L159-V163 HydrophobicContact CD2-CG2 4.5Å; L159-V163 VanDerWaalsContact O-CB 3.22Å; L159-V163 WeakPolarHBondContact O-CB 3.48Å; L159-V163 WeakPolarHBondContact O-CG2 3.29Å; L159-V163 PolarHBondContact O-N 3.48Å; V163-K165 PolarHBondContact O-N 3Å; V163-K165 VanDerWaalsContact O-N 3.09Å; V163-F166 PolarHBondContact O-N 3.28Å; V163-F166 VanDerWaalsContact O-N 3.12Å; V163-L171 HydrophobicContact CG1-CD1 3.88Å
164A94.7Very high93.9Very high52 Ų5246.2 Ų46.243%0.4325%0.247SC..THydrogen-bonded Turntrans-61.2-16.4173.200000114.3K115 K160 V162K115-A164 WeakPolarHBondContact CA-O 3.42Å; K115-A164 VanDerWaalsContact CB-O 3.32Å; K115-A164 WeakPolarHBondContact CB-O 3.39Å; K160-A164 VanDerWaalsContact O-CB 3.24Å; K160-A164 WeakPolarHBondContact O-CB 3.49Å; K160-A164 PolarHBondContact O-N 3.27Å; V162-A164 VanDerWaalsContact C-N 3.26Å; V162-A164 PolarHBondContact O-N 2.91Å
165K95.3Very high93.8Very high119 Ų11951 Ų5152%0.51726%0.264SS..THydrogen-bonded Turntrans-85.7-18.9177.6-61.7175.5-178.2176.80113.3S161 V162 V163S161-K165 WeakPolarHBondContact O-CE 3.46Å; V162-K165 WeakPolarHBondContact O-CB 3.39Å; V162-K165 PolarHBondContact O-N 2.96Å; V163-K165 PolarHBondContact O-N 3Å; V163-K165 VanDerWaalsContact O-N 3.09Å
166F95.6Very high93.8Very high21 Ų2158.1 Ų58.19%0.09230%0.297CS..SBendtrans-115.3146.6-174.6-65.5-86.1000111.3K115 V162 V163 Q170 L171 V178 L181K115-F166 VanDerWaalsContact CB-O 3.23Å; K115-F166 WeakPolarHBondContact CB-O 3.45Å; K115-F166 PolarHBondContact N-O 3.29Å; V162-F166 HydrophobicContact CG1-CD2 4.26Å; V162-F166 HydrophobicContact CG1-CE2 4.07Å; V162-F166 WeakPolarHBondContact O-CD2 3.43Å; V163-F166 PolarHBondContact O-N 3.28Å; V163-F166 VanDerWaalsContact O-N 3.12Å; F166-Q170 HydrophobicContact CB-CB 4.34Å; F166-Q170 HydrophobicContact CD1-CB 4.32Å; F166-L171 HydrophobicContact CB-CD2 3.86Å; F166-L171 HydrophobicContact CB-CG 4.4Å; F166-V178 HydrophobicContact CD1-CG2 4.17Å; F166-V178 HydrophobicContact CD2-CG2 3.97Å; F166-V178 HydrophobicContact CE1-CG2 4.19Å; F166-V178 HydrophobicContact CE2-CG2 4.01Å; F166-V178 HydrophobicContact CG-CG2 4.06Å; F166-V178 HydrophobicContact CZ-CG2 4.12Å; F166-L181 HydrophobicContact CE2-CD1 4.3Å; F166-L181 HydrophobicContact CZ-CD1 4.37Å
167N94.7Very high93.8Very high53 Ų5361.2 Ų61.228%0.28331%0.31SS..  trans-73.9154.4170.3-65-19.4000110.2K115 S169 Q170 L171K115-N167 WeakPolarHBondContact CB-OD1 3.39Å; K115-N167 WeakPolarHBondContact CD-OD1 3.27Å; N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 3.36Å; N167-Q170 HydrophobicContact CB-CG 4.28Å; N167-Q170 WeakPolarHBondContact O-CA 3.46Å; N167-Q170 WeakPolarHBondContact O-CB 3.3Å; N167-Q170 PolarHBondContact O-N 3.38Å; N167-L171 PolarHBondContact O-N 2.94Å
168A92.8Very high93.8Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-52.5-41.1178.400000113.3D116 Q118 Q170 L171 F207 Y211D116-A168 PolarHBondContact OD1-N 3.01Å; Q118-A168 HydrophobicContact CB-CB 4.18Å; Q118-A168 HydrophobicContact CG-CB 4.42Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.48Å; A168-L171 WeakPolarHBondContact O-CB 3.26Å; A168-L171 PolarHBondContact O-N 2.85Å; A168-F207 HydrophobicContact CB-CD1 4.1Å; A168-F207 HydrophobicContact CB-CE1 3.66Å; A168-F207 WeakPolarHBondContact O-CZ 3.37Å; A168-Y211 HydrophobicContact CB-CE1 3.93Å; A168-Y211 HydrophobicContact CB-CE2 4.19Å; A168-Y211 WeakPolarHBondContact CB-OH 3.41Å
169S90.7Very high93.7Very high60 Ų6057.7 Ų57.742%0.4230%0.295SS..Hα-helixtrans-65.8-28.7176.860.10000114N167 T173 Y211N167-S169 VanDerWaalsContact C-N 3.26Å; N167-S169 PolarHBondContact O-N 3.36Å; S169-T173 PolarHBondContact O-N 3.49Å; S169-T173 PolarHBondContact O-OG1 2.97Å; S169-T173 VanDerWaalsContact O-OG1 3.1Å; S169-Y211 PolarHBondContact N-OH 3.46Å
170Q94Very high93.7Very high60 Ų6063 Ų6328%0.2832%0.323SS..Hα-helixtrans-76.4-30.4177-67.6173.7-25.400111.6F166 N167 A168 I172 T173 Q174F166-Q170 HydrophobicContact CB-CB 4.34Å; F166-Q170 HydrophobicContact CD1-CB 4.32Å; N167-Q170 HydrophobicContact CB-CG 4.28Å; N167-Q170 WeakPolarHBondContact O-CA 3.46Å; N167-Q170 WeakPolarHBondContact O-CB 3.3Å; N167-Q170 PolarHBondContact O-N 3.38Å; A168-Q170 VanDerWaalsContact C-N 3.3Å; A168-Q170 PolarHBondContact O-N 3.48Å; Q170-I172 PolarHBondContact O-N 3.43Å; Q170-T173 PolarHBondContact O-N 2.85Å; Q170-Q174 WeakPolarHBondContact O-CA 3.44Å; Q170-Q174 WeakPolarHBondContact O-CB 3.45Å; Q170-Q174 PolarHBondContact O-N 2.91Å
171L92.7Very high93.7Very high1 Ų159.5 Ų59.51%0.00531%0.31CS..Hα-helixtrans-62.5-29.1175.5-60.7173.6000112.2V120 V163 F166 N167 A168 R175 V178 L205V120-L171 HydrophobicContact CB-CD1 4.46Å; V120-L171 HydrophobicContact CG1-CD1 4.12Å; V120-L171 HydrophobicContact CG2-CD1 4.02Å; V163-L171 HydrophobicContact CG1-CD1 3.88Å; F166-L171 HydrophobicContact CB-CD2 3.86Å; F166-L171 HydrophobicContact CB-CG 4.4Å; N167-L171 PolarHBondContact O-N 2.94Å; A168-L171 WeakPolarHBondContact O-CB 3.26Å; A168-L171 PolarHBondContact O-N 2.85Å; L171-R175 WeakPolarHBondContact O-CB 3.38Å; L171-V178 HydrophobicContact CD2-CG1 3.98Å; L171-V178 HydrophobicContact CD2-CG2 4.04Å; L171-L205 HydrophobicContact CB-CD1 4.01Å; L171-L205 HydrophobicContact CB-CD2 4.18Å; L171-L205 HydrophobicContact CD1-CD1 4.47Å
172I90.6Very high93.8Very high91 Ų9157.1 Ų57.147%0.46729%0.293SS..Hα-helixtrans-76.8-53.6174.9-51.2179.6000110.4Q170 L205 F207Q170-I172 PolarHBondContact O-N 3.43Å; I172-L205 HydrophobicContact CG1-CD2 4.24Å; I172-F207 HydrophobicContact CD1-CD2 4.38Å; I172-F207 HydrophobicContact CD1-CE2 3.41Å; I172-F207 VanDerWaalsContact CD1-CE2 3.41Å; I172-F207 HydrophobicContact CD1-CZ 3.69Å; I172-F207 HydrophobicContact CG1-CE2 3.5Å; I172-F207 HydrophobicContact CG1-CZ 3.44Å; I172-F207 VanDerWaalsContact CG1-CZ 3.44Å
173T92Very high93.8Very high112 Ų11262 Ų6269%0.68731%0.312SS*.Hα-helixtrans-77.7-34.2-17153.40000113.4S169 Q170S169-T173 PolarHBondContact O-N 3.49Å; S169-T173 PolarHBondContact O-OG1 2.97Å; S169-T173 VanDerWaalsContact O-OG1 3.1Å; Q170-T173 PolarHBondContact O-N 2.85Å
174Q93.8Very high93.9Very high74 Ų7469 Ų6935%0.34634%0.342SS..THydrogen-bonded Turntrans-110.229.2-176.8-59.3179.2-7.500112.2Q170 Q176 Q177 V178Q170-Q174 WeakPolarHBondContact O-CA 3.44Å; Q170-Q174 WeakPolarHBondContact O-CB 3.45Å; Q170-Q174 PolarHBondContact O-N 2.91Å; Q174-Q176 PolarHBondContact O-N 3.46Å; Q174-Q176 VanDerWaalsContact O-N 3.08Å; Q174-Q177 HydrophobicContact CB-CB 4.46Å; Q174-Q177 PolarHBondContact O-N 3.26Å; Q174-V178 WeakPolarHBondContact O-CG2 3.4Å; Q174-V178 PolarHBondContact O-N 3.06Å; Q174-V178 VanDerWaalsContact O-N 3.1Å
175R92.9Very high93.9Very high112 Ų11268.4 Ų68.442%0.42333%0.331SS..Hα-helixtrans-50.3-39.5-177-172.6-177.3178.1-158.88113.2L171 V178 S179 I202 T203L171-R175 WeakPolarHBondContact O-CB 3.38Å; R175-V178 PolarHBondContact O-N 3.35Å; R175-S179 WeakPolarHBondContact O-CB 3.36Å; R175-S179 PolarHBondContact O-N 3.41Å; R175-I202 HydrophobicContact CG-CD1 4.21Å; R175-I202 PolarHBondContact NH2-O 3.46Å; R175-T203 PolarHBondContact NH2-O 2.67Å
176Q93.8Very high94Very high153 Ų15362.9 Ų62.972%0.71531%0.307SS*.Hα-helixtrans-65.6-43.6-179.1-173.162.510.600112.5Q174 S179 L180Q174-Q176 PolarHBondContact O-N 3.46Å; Q174-Q176 VanDerWaalsContact O-N 3.08Å; Q176-S179 PolarHBondContact O-N 2.84Å; Q176-L180 PolarHBondContact O-N 2.93Å
177Q94.4Very high94Very high114 Ų11464.1 Ų64.153%0.53332%0.316SS..Hα-helixtrans-65.2-42.7178-175.1177.26.100110.9Q174 L180 L181Q174-Q177 HydrophobicContact CB-CB 4.46Å; Q174-Q177 PolarHBondContact O-N 3.26Å; Q177-L180 PolarHBondContact O-N 3.23Å; Q177-L181 PolarHBondContact O-N 2.98Å; Q177-L181 VanDerWaalsContact O-N 3.08Å
178V93.9Very high94Very high3 Ų367.4 Ų67.42%0.01833%0.33CS..Hα-helixtrans-62.5-44.6175.9177.80000110.6V162 F166 L171 Q174 R175 L180 L181 I182 I202V162-V178 HydrophobicContact CG1-CG1 4.02Å; F166-V178 HydrophobicContact CD1-CG2 4.17Å; F166-V178 HydrophobicContact CD2-CG2 3.97Å; F166-V178 HydrophobicContact CE1-CG2 4.19Å; F166-V178 HydrophobicContact CE2-CG2 4.01Å; F166-V178 HydrophobicContact CG-CG2 4.06Å; F166-V178 HydrophobicContact CZ-CG2 4.12Å; L171-V178 HydrophobicContact CD2-CG1 3.98Å; L171-V178 HydrophobicContact CD2-CG2 4.04Å; Q174-V178 WeakPolarHBondContact O-CG2 3.4Å; Q174-V178 PolarHBondContact O-N 3.06Å; Q174-V178 VanDerWaalsContact O-N 3.1Å; R175-V178 PolarHBondContact O-N 3.35Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.43Å; V178-L181 PolarHBondContact O-N 3.47Å; V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.36Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 2.84Å; V178-I202 HydrophobicContact CG1-CD1 4.45Å
179S93.5Very high94.1Very high15 Ų1571.7 Ų71.711%0.10535%0.346CS..Hα-helixtrans-62.3-39.2178.6-1680000112.6R175 Q176 R183R175-S179 WeakPolarHBondContact O-CB 3.36Å; R175-S179 PolarHBondContact O-N 3.41Å; Q176-S179 PolarHBondContact O-N 2.84Å; S179-R183 WeakPolarHBondContact O-CB 3.28Å; S179-R183 PolarHBondContact O-N 2.94Å
180L94.4Very high94.3Very high111 Ų11169 Ų6958%0.58133%0.327SS*.Hα-helixtrans-65.8-42.2176.3-173.5151.9000111.2Q176 Q177 V178 R183 K184Q176-L180 PolarHBondContact O-N 2.93Å; Q177-L180 PolarHBondContact O-N 3.23Å; V178-L180 VanDerWaalsContact C-N 3.34Å; V178-L180 PolarHBondContact O-N 3.43Å; L180-R183 PolarHBondContact O-N 2.93Å; L180-K184 PolarHBondContact O-N 3Å
181L95.2Very high94.2Very high48 Ų4873 Ų7325%0.25134%0.343SS..Hα-helixtrans-65.4-45.6178.5-160.8158.4000111.3V162 F166 Q177 V178 R183 K184 M185V162-L181 HydrophobicContact CB-CD2 4.24Å; V162-L181 HydrophobicContact CG1-CD2 3.85Å; V162-L181 HydrophobicContact CG2-CD2 3.48Å; V162-L181 VanDerWaalsContact CG2-CD2 3.48Å; F166-L181 HydrophobicContact CE2-CD1 4.3Å; F166-L181 HydrophobicContact CZ-CD1 4.37Å; Q177-L181 PolarHBondContact O-N 2.98Å; Q177-L181 VanDerWaalsContact O-N 3.08Å; V178-L181 PolarHBondContact O-N 3.47Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 3.38Å; L181-K184 PolarHBondContact O-N 3.5Å; L181-M185 HydrophobicContact CD2-CE 3.91Å; L181-M185 HydrophobicContact CD2-CG 4.14Å; L181-M185 HydrophobicContact CD2-SD 3.72Å; L181-M185 PolarHBondContact O-N 2.94Å; L181-M185 VanDerWaalsContact O-N 3.08Å
182I95.7Very high94.2Very high1 Ų177.7 Ų77.71%0.00537%0.369CS..Hα-helixtrans-55.9-48.9173.3-69.6167.5000110.2L124 L159 V162 V178 K184 M185 L186 V200 I202L124-I182 HydrophobicContact CD1-CG2 4.05Å; L159-I182 HydrophobicContact CD2-CD1 3.96Å; V162-I182 HydrophobicContact CB-CG1 3.99Å; V162-I182 HydrophobicContact CG1-CG1 3.85Å; V162-I182 HydrophobicContact CG2-CG1 3.82Å; V178-I182 HydrophobicContact CG1-CD1 3.8Å; V178-I182 HydrophobicContact CG1-CG1 4.36Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.29Å; V178-I182 PolarHBondContact O-N 2.84Å; I182-K184 PolarHBondContact O-N 3.12Å; I182-M185 PolarHBondContact O-N 3.41Å; I182-L186 HydrophobicContact CG2-CD1 3.55Å; I182-L186 HydrophobicContact CG2-CG 4.1Å; I182-L186 WeakPolarHBondContact O-CB 3.43Å; I182-L186 WeakPolarHBondContact O-CG 3.48Å; I182-L186 PolarHBondContact O-N 3.49Å; I182-V200 HydrophobicContact CG2-CG1 4.16Å; I182-I202 HydrophobicContact CD1-CD1 4.05Å; I182-I202 HydrophobicContact CD1-CG1 4.27Å
183R95.3Very high94.4Very high103 Ų10376.9 Ų76.939%0.38936%0.362SS..Hα-helixtrans-57.6-48.6178.8-178-175.6-60.6-149.4-7.1111.5S179 L180 L181 M185 L186 V187 D199 V200S179-R183 WeakPolarHBondContact O-CB 3.28Å; S179-R183 PolarHBondContact O-N 2.94Å; L180-R183 PolarHBondContact O-N 2.93Å; L181-R183 VanDerWaalsContact C-N 3.33Å; L181-R183 PolarHBondContact O-N 3.38Å; R183-M185 PolarHBondContact O-N 2.85Å; R183-L186 PolarHBondContact O-N 2.97Å; R183-V187 HydrophobicContact CG-CG2 4.28Å; R183-V187 WeakPolarHBondContact O-CB 3.42Å; R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 3.38Å; R183-D199 IonicContact CZ-OD1 3.08Å; R183-D199 IonicContact NH1-OD1 3.41Å; R183-D199 IonicContact NH2-OD1 3.71Å; R183-D199 PolarHBondContact NH2-OD1 3.1Å; R183-V200 HydrophobicContact CB-CB 4.33Å; R183-V200 HydrophobicContact CG-CB 4.35Å; R183-V200 PolarHBondContact NH2-O 2.93Å
184K95.7Very high94.4Very high146 Ų14672.7 Ų72.764%0.63534%0.335SS*.Hα-helixtrans-57.8-49.9-179.3-174.8-178.8177.1-1770111.4L180 L181 I182 V187 E188L180-K184 PolarHBondContact O-N 3Å; L181-K184 PolarHBondContact O-N 3.5Å; I182-K184 PolarHBondContact O-N 3.12Å; K184-V187 PolarHBondContact O-N 2.9Å; K184-E188 WeakPolarHBondContact O-CB 3.49Å; K184-E188 PolarHBondContact O-N 3.35Å; K184-E188 VanDerWaalsContact O-N 3.08Å
185M95.6Very high94.4Very high40 Ų4069.4 Ų69.420%0.19732%0.32CS..Hα-helixtrans-71.8-36.7-178-61.7-164.3-31.100112.3V158 S161 V162 L181 I182 R183 E188 R189V158-M185 HydrophobicContact CG1-CB 3.8Å; V158-M185 HydrophobicContact CG1-CE 3.75Å; V158-M185 HydrophobicContact CG2-CB 4.45Å; S161-M185 VanDerWaalsContact OG-CE 3.23Å; S161-M185 WeakPolarHBondContact OG-CE 3.41Å; V162-M185 HydrophobicContact CB-CE 4.36Å; V162-M185 HydrophobicContact CG2-CE 3.06Å; V162-M185 HydrophobicContact CG2-SD 4.42Å; L181-M185 HydrophobicContact CD2-CE 3.91Å; L181-M185 HydrophobicContact CD2-CG 4.14Å; L181-M185 HydrophobicContact CD2-SD 3.72Å; L181-M185 PolarHBondContact O-N 2.94Å; L181-M185 VanDerWaalsContact O-N 3.08Å; I182-M185 PolarHBondContact O-N 3.41Å; R183-M185 PolarHBondContact O-N 2.85Å; M185-E188 PolarHBondContact O-N 3.35Å; M185-R189 VanDerWaalsContact O-CG 3.28Å; M185-R189 WeakPolarHBondContact O-CG 3.35Å; M185-R189 PolarHBondContact O-N 3.06Å
186L95.7Very high94.5Very high2 Ų266.3 Ų66.31%0.0131%0.312CS..Hα-helixtrans-64.4-42.7174.4-77.8177.7000112.3L124 I154 V158 I182 R183 E188 R189 A190 L197 V200L124-L186 HydrophobicContact CD1-CD1 4.14Å; I154-L186 HydrophobicContact CG2-CD2 3.88Å; V158-L186 HydrophobicContact CB-CD2 3.61Å; V158-L186 HydrophobicContact CB-CG 4.07Å; V158-L186 HydrophobicContact CG1-CD2 3.95Å; V158-L186 HydrophobicContact CG1-CG 3.82Å; V158-L186 HydrophobicContact CG2-CD2 3.73Å; V158-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 HydrophobicContact CG2-CD1 3.55Å; I182-L186 HydrophobicContact CG2-CG 4.1Å; I182-L186 WeakPolarHBondContact O-CB 3.43Å; I182-L186 WeakPolarHBondContact O-CG 3.48Å; I182-L186 PolarHBondContact O-N 3.49Å; R183-L186 PolarHBondContact O-N 2.97Å; L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 2.94Å; L186-R189 PolarHBondContact O-N 3.32Å; L186-A190 WeakPolarHBondContact O-CB 3.44Å; L186-A190 PolarHBondContact O-N 3.31Å; L186-L197 HydrophobicContact CB-CD1 3.79Å; L186-V200 HydrophobicContact CD1-CG1 3.7Å; L186-V200 HydrophobicContact CD1-CG2 4.16Å
187V95.7Very high94.6Very high47 Ų4760.1 Ų60.129%0.28528%0.283SS..Hα-helixtrans-62.8-41.1176.7169.10000110.6R183 K184 K191 L197R183-V187 HydrophobicContact CG-CG2 4.28Å; R183-V187 WeakPolarHBondContact O-CB 3.42Å; R183-V187 WeakPolarHBondContact O-CG2 3.23Å; R183-V187 PolarHBondContact O-N 3.38Å; K184-V187 PolarHBondContact O-N 2.9Å; V187-K191 WeakPolarHBondContact O-CG 3.2Å; V187-K191 PolarHBondContact O-N 3.24Å; V187-L197 HydrophobicContact CG2-CB 4.23Å
188E95.4Very high94.5Very high122 Ų12258.4 Ų58.457%0.5728%0.278SS*.Hα-helixtrans-62.9-48176.3-171.7169.7-165.500111.8K184 M185 L186 A190 K191K184-E188 WeakPolarHBondContact O-CB 3.49Å; K184-E188 PolarHBondContact O-N 3.35Å; K184-E188 VanDerWaalsContact O-N 3.08Å; M185-E188 PolarHBondContact O-N 3.35Å; L186-E188 VanDerWaalsContact C-N 3.31Å; L186-E188 PolarHBondContact O-N 2.94Å; E188-A190 PolarHBondContact O-N 3.07Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 2.94Å
189R95Very high94.5Very high90 Ų9060.2 Ų60.234%0.3429%0.287SS..Hα-helixtrans-68.6-33.7178.1-61.6-64.1-98.7150.3-9.6113.2I154 E157 V158 M185 L186 K191 D192 F193I154-R189 HydrophobicContact CG2-CB 3.54Å; I154-R189 HydrophobicContact CG2-CG 4.36Å; E157-R189 IonicContact OE1-CZ 3.03Å; E157-R189 IonicContact OE1-NE 3.06Å; E157-R189 PolarHBondContact OE1-NE 3.29Å; E157-R189 IonicContact OE1-NH2 2.72Å; E157-R189 PolarHBondContact OE1-NH2 2.96Å; E157-R189 IonicContact OE2-NH2 3.3Å; E157-R189 PolarHBondContact OE2-NH2 3.39Å; V158-R189 HydrophobicContact CG2-CG 3.93Å; M185-R189 VanDerWaalsContact O-CG 3.28Å; M185-R189 WeakPolarHBondContact O-CG 3.35Å; M185-R189 PolarHBondContact O-N 3.06Å; L186-R189 PolarHBondContact O-N 3.32Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 3.47Å; R189-D192 IonicContact NH1-OD2 3.6Å; R189-D192 PolarHBondContact O-N 2.96Å; R189-F193 WeakPolarHBondContact O-CD2 3.47Å
190A94.3Very high94.5Very high3 Ų359.6 Ų59.63%0.02528%0.283CS..Hα-helixtrans-68.6-28.717900000112.8L186 E188 D192 F193 N194 I195 L197L186-A190 WeakPolarHBondContact O-CB 3.44Å; L186-A190 PolarHBondContact O-N 3.31Å; E188-A190 PolarHBondContact O-N 3.07Å; A190-D192 VanDerWaalsContact C-N 3.29Å; A190-D192 PolarHBondContact O-N 3.19Å; A190-F193 PolarHBondContact O-N 2.91Å; A190-F193 VanDerWaalsContact O-N 3.15Å; A190-N194 PolarHBondContact O-N 3.04Å; A190-I195 CarbonylContact C-O 3.56Å; A190-I195 HydrophobicContact CB-CB 4.4Å; A190-I195 PolarHBondContact O-N 3.48Å; A190-I195 VanDerWaalsContact O-N 3.09Å; A190-L197 HydrophobicContact CB-CD1 3.84Å; A190-L197 HydrophobicContact CB-CD2 4.32Å; A190-L197 HydrophobicContact CB-CG 3.77Å
191K93.3Very high94.4Very high144 Ų14455.5 Ų55.563%0.62626%0.263SS*.Hα-helixtrans-60.8-35.9175.6-76.6173-179.6-174.90112.7V187 E188 R189 F193 N194V187-K191 WeakPolarHBondContact O-CG 3.2Å; V187-K191 PolarHBondContact O-N 3.24Å; E188-K191 WeakPolarHBondContact O-CB 3.46Å; E188-K191 PolarHBondContact O-N 2.94Å; R189-K191 VanDerWaalsContact C-N 3.3Å; R189-K191 PolarHBondContact O-N 3.47Å; K191-F193 PolarHBondContact O-N 3.05Å; K191-F193 VanDerWaalsContact O-N 3.16Å; K191-N194 PolarHBondContact O-N 3.38Å
192D92.5Very high94.3Very high101 Ų10153.8 Ų53.854%0.5425%0.254SS..Hα-helixtrans-58.8-30177.9-64.1-25.8000112.1R189 A190R189-D192 IonicContact NH1-OD2 3.6Å; R189-D192 PolarHBondContact O-N 2.96Å; A190-D192 VanDerWaalsContact C-N 3.29Å; A190-D192 PolarHBondContact O-N 3.19Å
193F93.1Very high94.2Very high74 Ų7456.7 Ų56.733%0.32527%0.272SS..THydrogen-bonded Turntrans-98.43.9179.8-61.3-84.7000113.5L142 V150 I154 R189 A190 K191 I195L142-F193 HydrophobicContact CD1-CB 4.39Å; L142-F193 HydrophobicContact CD1-CD1 4.47Å; L142-F193 HydrophobicContact CD2-CD1 4.24Å; V150-F193 HydrophobicContact CG1-CB 4.33Å; V150-F193 HydrophobicContact CG1-CD1 4.03Å; V150-F193 HydrophobicContact CG1-CD2 4.02Å; V150-F193 HydrophobicContact CG1-CE1 4.33Å; V150-F193 HydrophobicContact CG1-CE2 4.33Å; V150-F193 HydrophobicContact CG1-CG 3.84Å; V150-F193 HydrophobicContact CG1-CZ 4.46Å; V150-F193 HydrophobicContact CG2-CD1 4.4Å; I154-F193 HydrophobicContact CD1-CD2 3.35Å; I154-F193 HydrophobicContact CD1-CE2 3.42Å; I154-F193 VanDerWaalsContact CD1-CE2 3.42Å; I154-F193 HydrophobicContact CD1-CG 4.27Å; I154-F193 HydrophobicContact CD1-CZ 4.39Å; I154-F193 HydrophobicContact CG1-CD2 4.4Å; I154-F193 HydrophobicContact CG1-CE2 4Å; R189-F193 WeakPolarHBondContact O-CD2 3.47Å; A190-F193 PolarHBondContact O-N 2.91Å; A190-F193 VanDerWaalsContact O-N 3.15Å; K191-F193 PolarHBondContact O-N 3.05Å; K191-F193 VanDerWaalsContact O-N 3.16Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 HydrophobicContact CB-CD1 3.9Å; F193-I195 HydrophobicContact CB-CG1 4.2Å; F193-I195 PolarHBondContact O-N 3.4Å
194N93.6Very high94.1Very high23 Ų2357.5 Ų57.512%0.12328%0.28CS..THydrogen-bonded Turntrans58.635.5-175.2-41.8-82000113D131 F134 I138 A190 K191D131-N194 HydrophobicContact CB-CB 4.43Å; D131-N194 VanDerWaalsContact CB-O 3.3Å; D131-N194 WeakPolarHBondContact CB-O 3.48Å; D131-N194 PolarHBondContact N-O 3.25Å; F134-N194 HydrophobicContact CB-CB 3.64Å; F134-N194 HydrophobicContact CD2-CB 4.12Å; F134-N194 HydrophobicContact CG-CB 4.04Å; I138-N194 HydrophobicContact CD1-CB 4.16Å; I138-N194 WeakPolarHBondContact CD1-O 3.42Å; I138-N194 HydrophobicContact CG1-CB 4.19Å; A190-N194 PolarHBondContact O-N 3.04Å; K191-N194 PolarHBondContact O-N 3.38Å
195I94.2Very high93.9Very high5 Ų552.4 Ų52.43%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-104.9133.7175.3-62.5165.5000108.3L142 W146 V150 A190 F193 L197L142-I195 HydrophobicContact CD1-CD1 4.31Å; W146-I195 HydrophobicContact CE3-CD1 3.55Å; W146-I195 HydrophobicContact CE3-CG1 3.69Å; W146-I195 HydrophobicContact CE3-CG2 4.27Å; W146-I195 HydrophobicContact CH2-CG2 4.28Å; W146-I195 HydrophobicContact CZ3-CB 4.32Å; W146-I195 HydrophobicContact CZ3-CD1 3.88Å; W146-I195 HydrophobicContact CZ3-CG1 3.85Å; W146-I195 HydrophobicContact CZ3-CG2 3.52Å; V150-I195 HydrophobicContact CB-CD1 4.27Å; V150-I195 HydrophobicContact CG1-CD1 4.05Å; A190-I195 CarbonylContact C-O 3.56Å; A190-I195 HydrophobicContact CB-CB 4.4Å; A190-I195 PolarHBondContact O-N 3.48Å; A190-I195 VanDerWaalsContact O-N 3.09Å; F193-I195 VanDerWaalsContact C-N 3.26Å; F193-I195 HydrophobicContact CB-CD1 3.9Å; F193-I195 HydrophobicContact CB-CG1 4.2Å; F193-I195 PolarHBondContact O-N 3.4Å; I195-L197 HydrophobicContact CG2-CD2 4.05Å
196I94.6Very high93.8Very high48 Ų4852.3 Ų52.325%0.24626%0.263CS..EExtended strand (participates in β ladder)trans-100126177.2-58.8167.8000108.4S128 R129 D131S128-I196 WeakPolarHBondContact CA-O 3.44Å; R129-I196 HydrophobicContact CG-CB 3.99Å; R129-I196 HydrophobicContact CG-CG2 4.43Å; R129-I196 PolarHBondContact N-O 3.33Å; R129-I196 PolarHBondContact O-N 3.25Å; D131-I196 HydrophobicContact CB-CD1 3.94Å; D131-I196 HydrophobicContact CB-CG1 4.25Å
197L95.2Very high93.6Very high23 Ų2354.2 Ų54.212%0.1227%0.272CS..EExtended strand (participates in β ladder)trans-100.9110.9172.9-54.6-174.7000108.7V126 L127 L151 L186 V187 A190 I195 V200V126-L197 HydrophobicContact CG1-CD1 4.38Å; V126-L197 HydrophobicContact CG1-CD2 3.61Å; V126-L197 HydrophobicContact CG1-CG 4.47Å; L127-L197 CarbonylContact O-C 3.51Å; L127-L197 WeakPolarHBondContact O-CA 3.48Å; L151-L197 HydrophobicContact CD2-CD2 4.2Å; L186-L197 HydrophobicContact CB-CD1 3.79Å; V187-L197 HydrophobicContact CG2-CB 4.23Å; A190-L197 HydrophobicContact CB-CD1 3.84Å; A190-L197 HydrophobicContact CB-CD2 4.32Å; A190-L197 HydrophobicContact CB-CG 3.77Å; I195-L197 HydrophobicContact CG2-CD2 4.05Å; L197-V200 HydrophobicContact CB-CG2 4.39Å; L197-V200 HydrophobicContact CD1-CG2 4.07Å
198D93.1Very high93.3Very high78 Ų7853.4 Ų53.442%0.41727%0.273SS..EExtended strand (participates in β ladder)trans-78.6-36180-63.8-40.8000111A103 L127 R129A103-D198 VanDerWaalsContact CB-OD2 3.29Å; A103-D198 WeakPolarHBondContact CB-OD2 3.47Å; L127-D198 HydrophobicContact CB-CB 4.45Å; L127-D198 PolarHBondContact O-N 3.24Å; R129-D198 WeakPolarHBondContact CD-OD2 3.39Å; R129-D198 IonicContact CZ-OD1 3.26Å; R129-D198 IonicContact NE-OD1 3.39Å; R129-D198 PolarHBondContact NE-OD1 3.48Å; R129-D198 VanDerWaalsContact NE-OD1 3.08Å; R129-D198 IonicContact NE-OD2 3.46Å; R129-D198 PolarHBondContact NE-OD2 3.26Å; R129-D198 IonicContact NH2-OD1 2.68Å
199D93.5Very high93.1Very high41 Ų4157.2 Ų57.222%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-151147.7175.9-175.538.2000111.9R125 L127 R183R125-D199 IonicContact CZ-OD2 3.05Å; R125-D199 IonicContact NH1-OD2 3.9Å; R125-D199 IonicContact NH2-OD2 3.5Å; R125-D199 PolarHBondContact NH2-OD2 3.45Å; L127-D199 HydrophobicContact CB-CB 4.19Å; L127-D199 HydrophobicContact CD1-CB 3.82Å; L127-D199 PolarHBondContact N-O 2.92Å; R183-D199 IonicContact CZ-OD1 3.08Å; R183-D199 IonicContact NH1-OD1 3.41Å; R183-D199 IonicContact NH2-OD1 3.71Å; R183-D199 PolarHBondContact NH2-OD1 3.1Å
200V94Very high92.9Very high1 Ų159.7 Ų59.71%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-137.2125.8173.3178.10000107.7V126 I182 R183 L186 L197V126-V200 HydrophobicContact CG1-CG2 4.3Å; V126-V200 HydrophobicContact CG2-CG1 4.39Å; V126-V200 HydrophobicContact CG2-CG2 4.38Å; I182-V200 HydrophobicContact CG2-CG1 4.16Å; R183-V200 HydrophobicContact CB-CB 4.33Å; R183-V200 HydrophobicContact CG-CB 4.35Å; R183-V200 PolarHBondContact NH2-O 2.93Å; L186-V200 HydrophobicContact CD1-CG1 3.7Å; L186-V200 HydrophobicContact CD1-CG2 4.16Å; L197-V200 HydrophobicContact CB-CG2 4.39Å; L197-V200 HydrophobicContact CD1-CG2 4.07Å
201S92.2Very high92.8Very high25 Ų2561.4 Ų61.418%0.17530%0.303CS..EExtended strand (participates in β ladder)trans-140.3139.4178.355.80000110.9L124 R125 T203L124-S201 WeakPolarHBondContact CA-O 3.39Å; R125-S201 PolarHBondContact N-O 3.42Å; R125-S201 PolarHBondContact NE-OG 3.38Å; R125-S201 PolarHBondContact NH2-OG 3.1Å; R125-S201 PolarHBondContact O-N 3.3Å; S201-T203 PolarHBondContact O-N 3.02Å
202I93.3Very high92.6Very high12 Ų1256.8 Ų56.86%0.06229%0.292CS..EExtended strand (participates in β ladder)trans-70.9125.4166.2-57.8166000106.8I122 S123 L124 R175 V178 I182I122-I202 HydrophobicContact CG2-CG2 4.07Å; S123-I202 CarbonylContact O-C 3.58Å; L124-I202 HydrophobicContact CD2-CB 4.13Å; L124-I202 HydrophobicContact CD2-CG1 3.54Å; R175-I202 HydrophobicContact CG-CD1 4.21Å; R175-I202 PolarHBondContact NH2-O 3.46Å; V178-I202 HydrophobicContact CG1-CD1 4.45Å; I182-I202 HydrophobicContact CD1-CD1 4.05Å; I182-I202 HydrophobicContact CD1-CG1 4.27Å
203T93Very high92.7Very high62 Ų6258.1 Ų58.138%0.3830%0.295SS..EExtended strand (participates in β ladder)trans-89-52.2174.451.80000111.1S123 R125 R175 S201S123-T203 WeakPolarHBondContact CB-OG1 3.5Å; S123-T203 PolarHBondContact O-N 2.91Å; S123-T203 PolarHBondContact O-OG1 2.77Å; R125-T203 HydrophobicContact CB-CG2 3.49Å; R125-T203 VanDerWaalsContact CB-CG2 3.49Å; R175-T203 PolarHBondContact NH2-O 2.67Å; S201-T203 PolarHBondContact O-N 3.02Å
204E93.1Very high92.6Very high120 Ų12057.3 Ų57.356%0.56130%0.302SS*.EExtended strand (participates in β ladder)trans-135.7142.4-173.7-172.9176.4-178.900109.9S123S123-E204 PolarHBondContact N-O 3.35Å
205L91.9Very high92.5Very high39 Ų3958.3 Ų58.320%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-135.9111.7177.6-174.7119.3000107.5V120 I122 L171 I172 F207V120-L205 HydrophobicContact CG1-CD1 4.13Å; V120-L205 HydrophobicContact CG1-CG 4.03Å; I122-L205 HydrophobicContact CD1-CD1 4.05Å; I122-L205 HydrophobicContact CG1-CD1 3.86Å; L171-L205 HydrophobicContact CB-CD1 4.01Å; L171-L205 HydrophobicContact CB-CD2 4.18Å; L171-L205 HydrophobicContact CD1-CD1 4.47Å; I172-L205 HydrophobicContact CG1-CD2 4.24Å; L205-F207 HydrophobicContact CD2-CE1 4.18Å; L205-F207 HydrophobicContact CD2-CE2 3.45Å; L205-F207 VanDerWaalsContact CD2-CE2 3.45Å; L205-F207 HydrophobicContact CD2-CZ 3.26Å; L205-F207 HydrophobicContact CG-CZ 4.33Å
206S92.3Very high92.3Very high38 Ų3864.3 Ų64.327%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-121.3147.9-178.954.50000110.8V120 N121V120-S206 WeakPolarHBondContact CA-O 3.47Å; V120-S206 WeakPolarHBondContact CG1-O 3.47Å; N121-S206 WeakPolarHBondContact CB-OG 3.33Å; N121-S206 PolarHBondContact N-O 3.05Å; N121-S206 PolarHBondContact O-N 3.08Å; N121-S206 PolarHBondContact O-OG 3.31Å
207F91.3Very high92.4Very high43 Ų4364.9 Ų64.919%0.18935%0.349CS..EExtended strand (participates in β ladder)trans-113.3164.2178.9-58.6-82.2000110V120 A168 I172 L205 Y211V120-F207 HydrophobicContact CB-CD1 4.46Å; V120-F207 HydrophobicContact CG1-CD1 4.1Å; V120-F207 HydrophobicContact CG1-CE1 3.91Å; V120-F207 HydrophobicContact CG2-CD1 3.83Å; V120-F207 HydrophobicContact CG2-CE1 3.82Å; A168-F207 HydrophobicContact CB-CD1 4.1Å; A168-F207 HydrophobicContact CB-CE1 3.66Å; A168-F207 WeakPolarHBondContact O-CZ 3.37Å; I172-F207 HydrophobicContact CD1-CD2 4.38Å; I172-F207 HydrophobicContact CD1-CE2 3.41Å; I172-F207 VanDerWaalsContact CD1-CE2 3.41Å; I172-F207 HydrophobicContact CD1-CZ 3.69Å; I172-F207 HydrophobicContact CG1-CE2 3.5Å; I172-F207 HydrophobicContact CG1-CZ 3.44Å; I172-F207 VanDerWaalsContact CG1-CZ 3.44Å; L205-F207 HydrophobicContact CD2-CE1 4.18Å; L205-F207 HydrophobicContact CD2-CE2 3.45Å; L205-F207 VanDerWaalsContact CD2-CE2 3.45Å; L205-F207 HydrophobicContact CD2-CZ 3.26Å; L205-F207 HydrophobicContact CG-CZ 4.33Å; F207-Y211 HydrophobicContact CB-CD1 3.82Å; F207-Y211 AromaticContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CE1 4.04Å; F207-Y211 HydrophobicContact CE1-CE1 4.35Å; F207-Y211 AromaticContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CE1 4.21Å
208G89.5Confident92.4Very high30 Ų3071.5 Ų71.531%0.30938%0.377SS..  trans-52.7146.7166.300000111.6E210 Y211 A212G208-E210 PolarHBondContact O-N 3.43Å; G208-Y211 PolarHBondContact O-N 2.86Å; G208-A212 PolarHBondContact O-N 2.93Å; G208-A212 VanDerWaalsContact O-N 3.07Å
209R91.5Very high92.4Very high202 Ų20274.1 Ų74.176%0.76239%0.387SS*.Hα-helixtrans-60.5-37.9-175.4-67.6-176.9177.2-169.6-0.5111.3A212 Q213R209-A212 PolarHBondContact O-N 3.32Å; R209-Q213 WeakPolarHBondContact O-CB 3.39Å; R209-Q213 VanDerWaalsContact O-CG 3.27Å; R209-Q213 WeakPolarHBondContact O-CG 3.36Å; R209-Q213 PolarHBondContact O-N 3.33Å
210E91.3Very high92.6Very high141 Ų14175.3 Ų75.366%0.65940%0.395SS*.Hα-helixtrans-64.2-42.5179.8-58.572.9-159.900111.1G208 A214G208-E210 PolarHBondContact O-N 3.43Å; E210-A214 VanDerWaalsContact O-CB 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.34Å; E210-A214 PolarHBondContact O-N 2.81Å
211Y91.7Very high92.7Very high39 Ų3977.8 Ų77.815%0.15342%0.416CS..Hα-helixtrans-67.7-44.7176.9-176.8-95.2000111.4Q118 A168 S169 F207 G208 Q213 A214 V215Q118-Y211 HydrophobicContact CG-CD2 3.91Å; Q118-Y211 HydrophobicContact CG-CE2 4.06Å; A168-Y211 HydrophobicContact CB-CE1 3.93Å; A168-Y211 HydrophobicContact CB-CE2 4.19Å; A168-Y211 WeakPolarHBondContact CB-OH 3.41Å; S169-Y211 PolarHBondContact N-OH 3.46Å; F207-Y211 HydrophobicContact CB-CD1 3.82Å; F207-Y211 AromaticContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CD1 3.94Å; F207-Y211 HydrophobicContact CD1-CE1 4.04Å; F207-Y211 HydrophobicContact CE1-CE1 4.35Å; F207-Y211 AromaticContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CD1 3.84Å; F207-Y211 HydrophobicContact CG-CE1 4.21Å; G208-Y211 PolarHBondContact O-N 2.86Å; Y211-Q213 PolarHBondContact O-N 3.04Å; Y211-A214 PolarHBondContact O-N 2.89Å; Y211-V215 HydrophobicContact CD1-CG2 3.97Å; Y211-V215 HydrophobicContact CE1-CG2 3.55Å; Y211-V215 HydrophobicContact CE2-CG2 4.25Å; Y211-V215 HydrophobicContact CG-CG2 4.49Å; Y211-V215 WeakPolarHBondContact O-CG2 3.42Å; Y211-V215 PolarHBondContact O-N 2.82Å
212A90.5Very high93Very high48 Ų4879.4 Ų79.440%0.39743%0.43SS..Hα-helixtrans-59.5-46.7177.900000111.4G208 R209 A214 V215 E216G208-A212 PolarHBondContact O-N 2.93Å; G208-A212 VanDerWaalsContact O-N 3.07Å; R209-A212 PolarHBondContact O-N 3.32Å; A212-A214 PolarHBondContact O-N 3.21Å; A212-V215 PolarHBondContact O-N 3.36Å; A212-E216 WeakPolarHBondContact O-CB 3.06Å; A212-E216 PolarHBondContact O-N 3.47Å
213Q93.5Very high93.2Very high128 Ų12883.3 Ų83.360%0.59845%0.448SS*.Hα-helixtrans-61.6-42.3175.1-73.3175.3-0.700112.2R209 Y211 E216 A217R209-Q213 WeakPolarHBondContact O-CB 3.39Å; R209-Q213 VanDerWaalsContact O-CG 3.27Å; R209-Q213 WeakPolarHBondContact O-CG 3.36Å; R209-Q213 PolarHBondContact O-N 3.33Å; Y211-Q213 PolarHBondContact O-N 3.04Å; Q213-E216 PolarHBondContact O-N 3.14Å; Q213-A217 VanDerWaalsContact O-CB 3.26Å; Q213-A217 WeakPolarHBondContact O-CB 3.22Å; Q213-A217 PolarHBondContact O-N 2.87Å
214A92Very high93.4Very high58 Ų5886 Ų8648%0.47946%0.457SS..Hα-helixtrans-65.5-38.5178.300000112.6E210 Y211 A212 K218E210-A214 VanDerWaalsContact O-CB 3.29Å; E210-A214 WeakPolarHBondContact O-CB 3.34Å; E210-A214 PolarHBondContact O-N 2.81Å; Y211-A214 PolarHBondContact O-N 2.89Å; A212-A214 PolarHBondContact O-N 3.21Å; A214-K218 VanDerWaalsContact O-CB 3.28Å; A214-K218 WeakPolarHBondContact O-CB 3.19Å; A214-K218 PolarHBondContact O-N 3.36Å
215V90.1Very high93.6Very high44 Ų4483.2 Ų83.227%0.26745%0.454SS..Hα-helixtrans-67.7-44175.8172.10000110.9Y211 A212 K218 Q219Y211-V215 HydrophobicContact CD1-CG2 3.97Å; Y211-V215 HydrophobicContact CE1-CG2 3.55Å; Y211-V215 HydrophobicContact CE2-CG2 4.25Å; Y211-V215 HydrophobicContact CG-CG2 4.49Å; Y211-V215 WeakPolarHBondContact O-CG2 3.42Å; Y211-V215 PolarHBondContact O-N 2.82Å; A212-V215 PolarHBondContact O-N 3.36Å; V215-K218 PolarHBondContact O-N 2.93Å; V215-Q219 WeakPolarHBondContact O-CG 3.43Å; V215-Q219 PolarHBondContact O-N 3.22Å
216E91.3Very high93.9Very high130 Ų13088.2 Ų88.261%0.60748%0.477SS*.Hα-helixtrans-61.3-49.2175.9-174.2175.3-16700111.1A212 Q213 K218 Q219 V220A212-E216 WeakPolarHBondContact O-CB 3.06Å; A212-E216 PolarHBondContact O-N 3.47Å; Q213-E216 PolarHBondContact O-N 3.14Å; E216-K218 VanDerWaalsContact C-N 3.29Å; E216-K218 PolarHBondContact O-N 3.19Å; E216-Q219 WeakPolarHBondContact O-CB 3.23Å; E216-Q219 PolarHBondContact O-N 3.11Å; E216-V220 WeakPolarHBondContact O-CG2 3.5Å; E216-V220 PolarHBondContact O-N 2.81Å
217A96Very high94.1Very high60 Ų6093.7 Ų93.750%0.49649%0.491SS..Hα-helixtrans-58.7-39.8175.800000112.2Q213 V220 A221Q213-A217 VanDerWaalsContact O-CB 3.26Å; Q213-A217 WeakPolarHBondContact O-CB 3.22Å; Q213-A217 PolarHBondContact O-N 2.87Å; A217-V220 PolarHBondContact O-N 3.48Å; A217-A221 WeakPolarHBondContact O-CB 3.22Å; A217-A221 PolarHBondContact O-N 3.24Å
218K94.4Very high94.4Very high163 Ų16394.3 Ų94.371%0.70950%0.504SS*.Hα-helixtrans-64.5-38.7175-176.5174.4-177.9173.40112.2A214 V215 E216 A222A214-K218 VanDerWaalsContact O-CB 3.28Å; A214-K218 WeakPolarHBondContact O-CB 3.19Å; A214-K218 PolarHBondContact O-N 3.36Å; V215-K218 PolarHBondContact O-N 2.93Å; E216-K218 VanDerWaalsContact C-N 3.29Å; E216-K218 PolarHBondContact O-N 3.19Å; K218-A222 VanDerWaalsContact O-CB 3.3Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 2.97Å
219Q94.2Very high94.8Very high133 Ų13395.8 Ų95.862%0.62151%0.514SS*.Hα-helixtrans-66.6-42.4176.1-73.1-178.76.400111.4V215 E216 A222 Q223V215-Q219 WeakPolarHBondContact O-CG 3.43Å; V215-Q219 PolarHBondContact O-N 3.22Å; E216-Q219 WeakPolarHBondContact O-CB 3.23Å; E216-Q219 PolarHBondContact O-N 3.11Å; Q219-A222 PolarHBondContact O-N 3.36Å; Q219-Q223 WeakPolarHBondContact O-CB 3.44Å; Q219-Q223 PolarHBondContact O-N 3.12Å
220V96.9Very high95.1Very high65 Ų6593 Ų9339%0.39451%0.508SS..Hα-helixtrans-60.9-50.1174.9175.70000110.4E216 A217 A222 Q223 E224E216-V220 WeakPolarHBondContact O-CG2 3.5Å; E216-V220 PolarHBondContact O-N 2.81Å; A217-V220 PolarHBondContact O-N 3.48Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 2.71Å; V220-Q223 WeakPolarHBondContact O-CB 3.09Å; V220-Q223 PolarHBondContact O-N 2.67Å; V220-Q223 VanDerWaalsContact O-N 3.12Å; V220-E224 HydrophobicContact CG1-CG 4.41Å; V220-E224 WeakPolarHBondContact O-CG 3.16Å; V220-E224 PolarHBondContact O-N 3.42Å
221A97.2Very high95.4Very high54 Ų5494.5 Ų94.545%0.44651%0.509SS..Hα-helixtrans-60.6-39.7178.300000112.7A217 E224 A225A217-A221 WeakPolarHBondContact O-CB 3.22Å; A217-A221 PolarHBondContact O-N 3.24Å; A221-E224 PolarHBondContact O-N 3.39Å; A221-A225 WeakPolarHBondContact O-CB 3.31Å; A221-A225 PolarHBondContact O-N 3.45Å
222A97.1Very high95.6Very high58 Ų5896.3 Ų96.348%0.47952%0.524SS..Hα-helixtrans-65.4-40.1175.500000111.9K218 Q219 V220 A225 Q226K218-A222 VanDerWaalsContact O-CB 3.3Å; K218-A222 WeakPolarHBondContact O-CB 3.42Å; K218-A222 PolarHBondContact O-N 2.97Å; Q219-A222 PolarHBondContact O-N 3.36Å; V220-A222 VanDerWaalsContact C-N 3.33Å; V220-A222 PolarHBondContact O-N 2.71Å; A222-A225 PolarHBondContact O-N 3.1Å; A222-Q226 WeakPolarHBondContact O-CB 3.29Å; A222-Q226 PolarHBondContact O-N 3.19Å
223Q97.4Very high96Very high94 Ų9498.2 Ų98.244%0.43952%0.524SS..Hα-helixtrans-66.4-41.7175.8-171.317834.100111.6Q219 V220 Q226 R227Q219-Q223 WeakPolarHBondContact O-CB 3.44Å; Q219-Q223 PolarHBondContact O-N 3.12Å; V220-Q223 WeakPolarHBondContact O-CB 3.09Å; V220-Q223 PolarHBondContact O-N 2.67Å; V220-Q223 VanDerWaalsContact O-N 3.12Å; Q223-Q226 PolarHBondContact O-N 2.89Å; Q223-R227 VanDerWaalsContact CD-NH2 3.32Å; Q223-R227 WeakPolarHBondContact O-CB 3.41Å; Q223-R227 VanDerWaalsContact O-CG 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.36Å; Q223-R227 PolarHBondContact O-N 3.03Å
224E97.5Very high96.2Very high118 Ų11898.4 Ų98.455%0.55152%0.519SS*.Hα-helixtrans-62.7-45175.4-74179.317300111.7V220 A221 Q226 R227 A228V220-E224 HydrophobicContact CG1-CG 4.41Å; V220-E224 WeakPolarHBondContact O-CG 3.16Å; V220-E224 PolarHBondContact O-N 3.42Å; A221-E224 PolarHBondContact O-N 3.39Å; E224-Q226 VanDerWaalsContact C-N 3.33Å; E224-Q226 PolarHBondContact O-N 3.36Å; E224-R227 PolarHBondContact O-N 2.87Å; E224-A228 WeakPolarHBondContact O-CB 3.37Å; E224-A228 PolarHBondContact O-N 2.94Å
225A97.7Very high96.5Very high62 Ų6297.8 Ų97.851%0.51252%0.515SS..Hα-helixtrans-60.4-42.3175.200000111.9A221 A222 A228 A229A221-A225 WeakPolarHBondContact O-CB 3.31Å; A221-A225 PolarHBondContact O-N 3.45Å; A222-A225 PolarHBondContact O-N 3.1Å; A225-A228 PolarHBondContact O-N 2.82Å; A225-A229 WeakPolarHBondContact O-CB 3.19Å; A225-A229 PolarHBondContact O-N 3.04Å
226Q97.8Very high96.8Very high145 Ų145101.2 Ų101.268%0.67853%0.526SS*.Hα-helixtrans-64.7-41.3176.2-171.5177.96.500111.9A222 Q223 E224 A229 F230A222-Q226 WeakPolarHBondContact O-CB 3.29Å; A222-Q226 PolarHBondContact O-N 3.19Å; Q223-Q226 PolarHBondContact O-N 2.89Å; E224-Q226 VanDerWaalsContact C-N 3.33Å; E224-Q226 PolarHBondContact O-N 3.36Å; Q226-A229 PolarHBondContact O-N 3.15Å; Q226-F230 WeakPolarHBondContact O-CB 3.16Å; Q226-F230 PolarHBondContact O-N 3.19Å
227R97.7Very high97.1Very high152 Ų152101.1 Ų101.157%0.57453%0.525SS*.Hα-helixtrans-64.3-43.5175.4-74.1175.1-176.9176.85.4111.8Q223 E224 F230 Y231Q223-R227 VanDerWaalsContact CD-NH2 3.32Å; Q223-R227 WeakPolarHBondContact O-CB 3.41Å; Q223-R227 VanDerWaalsContact O-CG 3.29Å; Q223-R227 WeakPolarHBondContact O-CG 3.36Å; Q223-R227 PolarHBondContact O-N 3.03Å; E224-R227 PolarHBondContact O-N 2.87Å; R227-F230 PolarHBondContact O-N 2.82Å; R227-Y231 PolarHBondContact O-N 3.45Å
228A97.5Very high97.2Very high56 Ų56101.7 Ų101.746%0.46352%0.518SS..Hα-helixtrans-63-44.2177.400000111.3E224 A225 F230 Y231 V232E224-A228 WeakPolarHBondContact O-CB 3.37Å; E224-A228 PolarHBondContact O-N 2.94Å; A225-A228 PolarHBondContact O-N 2.82Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.49Å; A228-Y231 PolarHBondContact O-N 2.85Å; A228-V232 WeakPolarHBondContact O-CG2 3.34Å; A228-V232 PolarHBondContact O-N 2.92Å
229A97.7Very high97.3Very high62 Ų62102.6 Ų102.651%0.51252%0.517SS..Hα-helixtrans-59.8-43.8174.500000111.8A225 Q226 Y231 V232 E233A225-A229 WeakPolarHBondContact O-CB 3.19Å; A225-A229 PolarHBondContact O-N 3.04Å; Q226-A229 PolarHBondContact O-N 3.15Å; A229-Y231 PolarHBondContact O-N 3.49Å; A229-V232 PolarHBondContact O-N 2.51Å; A229-E233 WeakPolarHBondContact O-CB 3.08Å; A229-E233 PolarHBondContact O-N 2.98Å
230F97.8Very high97.5Very high142 Ų142101.5 Ų101.562%0.62351%0.512SS*.Hα-helixtrans-62.9-40.3176.3-177.7-99.1000112.7Q226 R227 A228 E233 R234Q226-F230 WeakPolarHBondContact O-CB 3.16Å; Q226-F230 PolarHBondContact O-N 3.19Å; R227-F230 PolarHBondContact O-N 2.82Å; A228-F230 VanDerWaalsContact C-N 3.34Å; A228-F230 PolarHBondContact O-N 3.49Å; F230-E233 PolarHBondContact O-N 3.13Å; F230-R234 VanDerWaalsContact O-CB 3.25Å; F230-R234 WeakPolarHBondContact O-CB 3.18Å; F230-R234 PolarHBondContact O-N 3.01Å
231Y96.9Very high97.5Very high174 Ų174104.7 Ų104.768%0.68252%0.522SS*.Hα-helixtrans-63.5-43.8177.5-174.2-95.9000112R227 A228 A229 R234 A235R227-Y231 PolarHBondContact O-N 3.45Å; A228-Y231 PolarHBondContact O-N 2.85Å; A229-Y231 PolarHBondContact O-N 3.49Å; Y231-R234 PolarHBondContact O-N 3.4Å; Y231-A235 WeakPolarHBondContact O-CB 3.25Å; Y231-A235 PolarHBondContact O-N 3.09Å
232V97.1Very high97.6Very high77 Ų77108.8 Ų108.847%0.46753%0.53SS..Hα-helixtrans-62.8-44.4176172.60000110.8A228 A229 A235 K236A228-V232 WeakPolarHBondContact O-CG2 3.34Å; A228-V232 PolarHBondContact O-N 2.92Å; A229-V232 PolarHBondContact O-N 2.51Å; V232-A235 PolarHBondContact O-N 3.12Å; V232-K236 WeakPolarHBondContact O-CG 3.28Å; V232-K236 PolarHBondContact O-N 3.27Å
233E97.7Very high97.6Very high87 Ų87109 Ų10941%0.40752%0.522SS..Hα-helixtrans-68-40.7-178.9-153.559-155.200111.9A229 F230 A235 K236 Q237A229-E233 WeakPolarHBondContact O-CB 3.08Å; A229-E233 PolarHBondContact O-N 2.98Å; F230-E233 PolarHBondContact O-N 3.13Å; E233-A235 PolarHBondContact O-N 2.95Å; E233-K236 PolarHBondContact O-N 2.72Å; E233-K236 IonicContact OE2-NZ 3.48Å; E233-K236 PolarHBondContact OE2-NZ 3.06Å; E233-Q237 WeakPolarHBondContact O-CG 3.13Å; E233-Q237 PolarHBondContact O-N 3.35Å
234R98Very high97.6Very high132 Ų132108.3 Ų108.350%0.49853%0.525SS..Hα-helixtrans-59-45.4171-179.2179.6172.1172.11.3111.6F230 Y231 K236 Q237 E238F230-R234 VanDerWaalsContact O-CB 3.25Å; F230-R234 WeakPolarHBondContact O-CB 3.18Å; F230-R234 PolarHBondContact O-N 3.01Å; Y231-R234 PolarHBondContact O-N 3.4Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.19Å; R234-Q237 PolarHBondContact O-N 3.38Å; R234-E238 HydrophobicContact CG-CG 4.36Å; R234-E238 IonicContact CZ-OE1 3.78Å; R234-E238 IonicContact NE-OE1 2.88Å; R234-E238 PolarHBondContact NE-OE1 2.92Å; R234-E238 IonicContact NH2-OE1 3.26Å; R234-E238 PolarHBondContact NH2-OE1 2.88Å; R234-E238 WeakPolarHBondContact O-CB 3.19Å; R234-E238 WeakPolarHBondContact O-CG 3.19Å; R234-E238 PolarHBondContact O-N 3.03Å
235A97.6Very high97.6Very high46 Ų46107.9 Ų107.938%0.3852%0.522SS..Hα-helixtrans-63.1-36.8178.700000112.4Y231 V232 E233 R239Y231-A235 WeakPolarHBondContact O-CB 3.25Å; Y231-A235 PolarHBondContact O-N 3.09Å; V232-A235 PolarHBondContact O-N 3.12Å; E233-A235 PolarHBondContact O-N 2.95Å; A235-R239 WeakPolarHBondContact O-CB 3.4Å; A235-R239 PolarHBondContact O-N 3.37Å
236K98.1Very high97.6Very high115 Ų115107.5 Ų107.550%0.552%0.519SS..Hα-helixtrans-64.8-46.2172.2-69.4175-168.2160.40111.8V232 E233 R234 R239 Q240V232-K236 WeakPolarHBondContact O-CG 3.28Å; V232-K236 PolarHBondContact O-N 3.27Å; E233-K236 PolarHBondContact O-N 2.72Å; E233-K236 IonicContact OE2-NZ 3.48Å; E233-K236 PolarHBondContact OE2-NZ 3.06Å; R234-K236 VanDerWaalsContact C-N 3.32Å; R234-K236 PolarHBondContact O-N 3.19Å; K236-R239 PolarHBondContact O-N 2.85Å; K236-Q240 PolarHBondContact O-N 3.29Å
237Q97.6Very high97.5Very high128 Ų128105.7 Ų105.760%0.59851%0.511SS*.Hα-helixtrans-62.2-45.1178.4-71.5176.73.900111.5E233 R234 R239 Q240 Q241E233-Q237 WeakPolarHBondContact O-CG 3.13Å; E233-Q237 PolarHBondContact O-N 3.35Å; R234-Q237 PolarHBondContact O-N 3.38Å; Q237-R239 VanDerWaalsContact C-N 3.35Å; Q237-R239 PolarHBondContact O-N 2.81Å; Q237-Q240 PolarHBondContact O-N 3.1Å; Q237-Q241 WeakPolarHBondContact O-CB 3.24Å; Q237-Q241 PolarHBondContact O-N 3.06Å
238E97.5Very high97.5Very high73 Ų73100.2 Ų100.234%0.34150%0.502SS..Hα-helixtrans-63-39176-73.7-179-174.100111.9R234 Q241 K242R234-E238 HydrophobicContact CG-CG 4.36Å; R234-E238 IonicContact CZ-OE1 3.78Å; R234-E238 IonicContact NE-OE1 2.88Å; R234-E238 PolarHBondContact NE-OE1 2.92Å; R234-E238 IonicContact NH2-OE1 3.26Å; R234-E238 PolarHBondContact NH2-OE1 2.88Å; R234-E238 WeakPolarHBondContact O-CB 3.19Å; R234-E238 WeakPolarHBondContact O-CG 3.19Å; R234-E238 PolarHBondContact O-N 3.03Å; E238-Q241 PolarHBondContact O-N 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.32Å; E238-K242 PolarHBondContact O-N 3.07Å
239R97.4Very high97.4Very high182 Ų182103 Ų10369%0.68751%0.505SS*.Hα-helixtrans-62.9-47.3173.7180179.1-178.6162.71.3111.3A235 K236 Q237 Q241 K242 I243A235-R239 WeakPolarHBondContact O-CB 3.4Å; A235-R239 PolarHBondContact O-N 3.37Å; K236-R239 PolarHBondContact O-N 2.85Å; Q237-R239 VanDerWaalsContact C-N 3.35Å; Q237-R239 PolarHBondContact O-N 2.81Å; R239-Q241 VanDerWaalsContact C-N 3.32Å; R239-Q241 PolarHBondContact O-N 3Å; R239-K242 PolarHBondContact O-N 2.97Å; R239-I243 HydrophobicContact CG-CD1 3.94Å; R239-I243 WeakPolarHBondContact O-CG1 3.36Å; R239-I243 PolarHBondContact O-N 3.35Å
240Q97.6Very high97.4Very high110 Ų110102.5 Ų102.551%0.51450%0.501SS..Hα-helixtrans-62.5-42.5179.2-171.86030.700111K236 Q237 K242 I243 V244K236-Q240 PolarHBondContact O-N 3.29Å; Q237-Q240 PolarHBondContact O-N 3.1Å; Q240-K242 PolarHBondContact O-N 3.44Å; Q240-I243 PolarHBondContact O-N 2.9Å; Q240-V244 HydrophobicContact CG-CG2 4.47Å; Q240-V244 VanDerWaalsContact O-CG2 3.29Å; Q240-V244 WeakPolarHBondContact O-CG2 3.21Å; Q240-V244 PolarHBondContact O-N 3.23Å
241Q97.5Very high97.3Very high132 Ų132101.7 Ų101.762%0.61750%0.499SS*.Hα-helixtrans-58.7-45175.2-174179.99.200111.7Q237 E238 R239 V244 Q245Q237-Q241 WeakPolarHBondContact O-CB 3.24Å; Q237-Q241 PolarHBondContact O-N 3.06Å; E238-Q241 PolarHBondContact O-N 3.31Å; R239-Q241 VanDerWaalsContact C-N 3.32Å; R239-Q241 PolarHBondContact O-N 3Å; Q241-V244 PolarHBondContact O-N 2.9Å; Q241-Q245 VanDerWaalsContact O-CB 3.26Å; Q241-Q245 WeakPolarHBondContact O-CB 3.49Å; Q241-Q245 PolarHBondContact O-N 2.95Å
242K97.8Very high97.2Very high139 Ų13995.5 Ų95.560%0.60448%0.484SS*.Hα-helixtrans-65.1-40177.3-74.2175.7-176.7176.50113.1E238 R239 Q240 Q245 A246E238-K242 WeakPolarHBondContact O-CG 3.32Å; E238-K242 PolarHBondContact O-N 3.07Å; R239-K242 PolarHBondContact O-N 2.97Å; Q240-K242 PolarHBondContact O-N 3.44Å; K242-Q245 PolarHBondContact O-N 3.49Å; K242-A246 VanDerWaalsContact O-CB 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.34Å; K242-A246 PolarHBondContact O-N 2.65Å
243I97.7Very high96.9Very high62 Ų6294.8 Ų94.832%0.31849%0.486SS..Hα-helixtrans-63.4-51176.7-68.7167.4000109.7R239 Q240 Q245 A246 E247R239-I243 HydrophobicContact CG-CD1 3.94Å; R239-I243 WeakPolarHBondContact O-CG1 3.36Å; R239-I243 PolarHBondContact O-N 3.35Å; Q240-I243 PolarHBondContact O-N 2.9Å; I243-Q245 VanDerWaalsContact C-N 3.3Å; I243-Q245 PolarHBondContact O-N 2.88Å; I243-A246 PolarHBondContact O-N 3.23Å; I243-E247 HydrophobicContact CG2-CG 4.33Å; I243-E247 WeakPolarHBondContact O-CB 3.47Å; I243-E247 WeakPolarHBondContact O-CG 3.35Å; I243-E247 PolarHBondContact O-N 3.04Å
244V97.5Very high96.7Very high81 Ų8197.7 Ų97.749%0.49150%0.497SS..Hα-helixtrans-60.9-40.5179173.50000111.1Q240 Q241 G248Q240-V244 HydrophobicContact CG-CG2 4.47Å; Q240-V244 VanDerWaalsContact O-CG2 3.29Å; Q240-V244 WeakPolarHBondContact O-CG2 3.21Å; Q240-V244 PolarHBondContact O-N 3.23Å; Q241-V244 PolarHBondContact O-N 2.9Å; V244-G248 PolarHBondContact O-N 3.08Å
245Q97.2Very high96.4Very high108 Ų10896.8 Ų96.851%0.50550%0.502SS..Hα-helixtrans-64.2-47.5175.5-177.2176.2-1.300111.9Q241 K242 I243 G248 E249Q241-Q245 VanDerWaalsContact O-CB 3.26Å; Q241-Q245 WeakPolarHBondContact O-CB 3.49Å; Q241-Q245 PolarHBondContact O-N 2.95Å; K242-Q245 PolarHBondContact O-N 3.49Å; I243-Q245 VanDerWaalsContact C-N 3.3Å; I243-Q245 PolarHBondContact O-N 2.88Å; Q245-G248 PolarHBondContact O-N 3.41Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.44Å; Q245-E249 PolarHBondContact NE2-OE1 3.05Å; Q245-E249 WeakPolarHBondContact O-CB 3.45Å; Q245-E249 WeakPolarHBondContact O-CG 3.34Å; Q245-E249 PolarHBondContact O-N 3.08Å
246A97.3Very high95.9Very high54 Ų5497.9 Ų97.945%0.44650%0.5SS..Hα-helixtrans-65.6-38.8179.800000112.4K242 I243 E249 A250K242-A246 VanDerWaalsContact O-CB 3.27Å; K242-A246 WeakPolarHBondContact O-CB 3.34Å; K242-A246 PolarHBondContact O-N 2.65Å; I243-A246 PolarHBondContact O-N 3.23Å; A246-E249 PolarHBondContact O-N 3.38Å; A246-A250 VanDerWaalsContact O-CB 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 2.95Å
247E97.6Very high95.4Very high107 Ų10793.6 Ų93.650%0.549%0.489SS..Hα-helixtrans-63.4-44.5172.6-74.5176.7174.400111.2I243 A250 Q251I243-E247 HydrophobicContact CG2-CG 4.33Å; I243-E247 WeakPolarHBondContact O-CB 3.47Å; I243-E247 WeakPolarHBondContact O-CG 3.35Å; I243-E247 PolarHBondContact O-N 3.04Å; E247-A250 PolarHBondContact O-N 3.32Å; E247-Q251 WeakPolarHBondContact O-CB 3.43Å; E247-Q251 VanDerWaalsContact O-CG 3.27Å; E247-Q251 WeakPolarHBondContact O-CG 3.43Å; E247-Q251 PolarHBondContact O-N 3.1Å
248G97.2Very high94.9Very high37 Ų3792.6 Ų92.638%0.38148%0.484SS..Hα-helixtrans-60.6-44.6175.100000112.6V244 Q245 A252V244-G248 PolarHBondContact O-N 3.08Å; Q245-G248 PolarHBondContact O-N 3.41Å; G248-A252 WeakPolarHBondContact O-CB 3.18Å; G248-A252 PolarHBondContact O-N 3.07Å
249E95.6Very high94.4Very high116 Ų11690.8 Ų90.854%0.54248%0.482SS..Hα-helixtrans-66-41.9176.1-74.2175.4-166.400112Q245 A246 A252 A253Q245-E249 WeakPolarHBondContact CG-OE1 3.44Å; Q245-E249 PolarHBondContact NE2-OE1 3.05Å; Q245-E249 WeakPolarHBondContact O-CB 3.45Å; Q245-E249 WeakPolarHBondContact O-CG 3.34Å; Q245-E249 PolarHBondContact O-N 3.08Å; A246-E249 PolarHBondContact O-N 3.38Å; E249-A252 PolarHBondContact O-N 3.37Å; E249-A253 VanDerWaalsContact O-CB 3.26Å; E249-A253 WeakPolarHBondContact O-CB 3.32Å; E249-A253 PolarHBondContact O-N 2.87Å
250A96.6Very high93.7Very high50 Ų5084.6 Ų84.641%0.41346%0.461SS..Hα-helixtrans-66.3-41.9177.600000112.2A246 E247 A253 K254A246-A250 VanDerWaalsContact O-CB 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.46Å; A246-A250 PolarHBondContact O-N 2.95Å; E247-A250 PolarHBondContact O-N 3.32Å; A250-A253 PolarHBondContact O-N 2.86Å; A250-K254 WeakPolarHBondContact O-CG 3.38Å; A250-K254 PolarHBondContact O-N 3.03Å
251Q96.3Very high92.9Very high126 Ų12682.8 Ų82.859%0.58947%0.465SS*.Hα-helixtrans-65.2-45.2174.2-72.5179.214.400111E247 A253 K254 L255E247-Q251 WeakPolarHBondContact O-CB 3.43Å; E247-Q251 VanDerWaalsContact O-CG 3.27Å; E247-Q251 WeakPolarHBondContact O-CG 3.43Å; E247-Q251 PolarHBondContact O-N 3.1Å; Q251-A253 VanDerWaalsContact C-N 3.34Å; Q251-A253 PolarHBondContact O-N 3.38Å; Q251-K254 PolarHBondContact O-N 3.19Å; Q251-L255 WeakPolarHBondContact O-CG 3.2Å; Q251-L255 PolarHBondContact O-N 3.35Å
252A94.2Very high92.3Very high44 Ų4484 Ų8436%0.36447%0.469SS..Hα-helixtrans-59.6-43.9175.200000111.7G248 E249 K254 L255 I256G248-A252 WeakPolarHBondContact O-CB 3.18Å; G248-A252 PolarHBondContact O-N 3.07Å; E249-A252 PolarHBondContact O-N 3.37Å; A252-K254 PolarHBondContact O-N 3.45Å; A252-L255 PolarHBondContact O-N 3.5Å; A252-I256 WeakPolarHBondContact O-CB 3.5Å; A252-I256 WeakPolarHBondContact O-CD1 3.27Å; A252-I256 WeakPolarHBondContact O-CG1 3.49Å; A252-I256 PolarHBondContact O-N 3.48Å
253A92.3Very high91.7Very high62 Ų6282.4 Ų82.451%0.51247%0.467SS..Hα-helixtrans-63.7-40177.500000112.5E249 A250 Q251 G257E249-A253 VanDerWaalsContact O-CB 3.26Å; E249-A253 WeakPolarHBondContact O-CB 3.32Å; E249-A253 PolarHBondContact O-N 2.87Å; A250-A253 PolarHBondContact O-N 2.86Å; Q251-A253 VanDerWaalsContact C-N 3.34Å; Q251-A253 PolarHBondContact O-N 3.38Å; A253-G257 PolarHBondContact O-N 3.34Å
254K93.4Very high90.7Very high147 Ų14783.9 Ų83.964%0.63948%0.48SS*.Hα-helixtrans-63-49.7174-75.3177.1-178-178.10111.7A250 Q251 A252 I256 G257 E258A250-K254 WeakPolarHBondContact O-CG 3.38Å; A250-K254 PolarHBondContact O-N 3.03Å; Q251-K254 PolarHBondContact O-N 3.19Å; A252-K254 PolarHBondContact O-N 3.45Å; K254-I256 PolarHBondContact O-N 3.39Å; K254-G257 WeakPolarHBondContact O-CA 3.48Å; K254-G257 PolarHBondContact O-N 2.93Å; K254-G257 VanDerWaalsContact O-N 3.14Å; K254-E258 WeakPolarHBondContact O-CG 3.2Å; K254-E258 PolarHBondContact O-N 2.86Å
255L90.6Very high90Very high113 Ų11382.2 Ų82.259%0.59248%0.48SS*.Hα-helixtrans-62-41.8179.1-69.9174000112.2Q251 A252 E258 A259Q251-L255 WeakPolarHBondContact O-CG 3.2Å; Q251-L255 PolarHBondContact O-N 3.35Å; A252-L255 PolarHBondContact O-N 3.5Å; L255-E258 PolarHBondContact O-N 2.88Å; L255-A259 WeakPolarHBondContact O-CB 3.33Å; L255-A259 PolarHBondContact O-N 2.86Å
256I88.2Confident89.5Confident69 Ų6980.1 Ų80.135%0.35447%0.468SS..Hα-helixtrans-64.5-42.6174.3-67.3165.6000110.1A252 K254 E258 A259 M260A252-I256 WeakPolarHBondContact O-CB 3.5Å; A252-I256 WeakPolarHBondContact O-CD1 3.27Å; A252-I256 WeakPolarHBondContact O-CG1 3.49Å; A252-I256 PolarHBondContact O-N 3.48Å; K254-I256 PolarHBondContact O-N 3.39Å; I256-E258 PolarHBondContact O-N 3.32Å; I256-A259 PolarHBondContact O-N 2.92Å; I256-M260 HydrophobicContact CG2-CE 4Å; I256-M260 HydrophobicContact CG2-CG 4.4Å; I256-M260 HydrophobicContact CG2-SD 4.1Å; I256-M260 WeakPolarHBondContact O-CB 3.37Å; I256-M260 VanDerWaalsContact O-CG 3.26Å; I256-M260 WeakPolarHBondContact O-CG 3.26Å; I256-M260 PolarHBondContact O-N 3.31Å
257G86.8Confident88.9Confident26 Ų2678.7 Ų78.727%0.26845%0.452SS..Hα-helixtrans-57.3-45.4174.900000113.4A253 K254 M260 A261A253-G257 PolarHBondContact O-N 3.34Å; K254-G257 WeakPolarHBondContact O-CA 3.48Å; K254-G257 PolarHBondContact O-N 2.93Å; K254-G257 VanDerWaalsContact O-N 3.14Å; G257-M260 PolarHBondContact O-N 2.86Å; G257-A261 PolarHBondContact O-N 2.98Å; G257-A261 VanDerWaalsContact O-N 3.1Å
258E87.6Confident88.2Confident106 Ų10679 Ų7950%0.49545%0.452SS..Hα-helixtrans-67.3-41.2176.6-71.7174.1-165.900112.3K254 L255 I256 M260 A261 K262K254-E258 WeakPolarHBondContact O-CG 3.2Å; K254-E258 PolarHBondContact O-N 2.86Å; L255-E258 PolarHBondContact O-N 2.88Å; I256-E258 PolarHBondContact O-N 3.32Å; E258-M260 VanDerWaalsContact C-N 3.34Å; E258-M260 PolarHBondContact O-N 3.5Å; E258-A261 PolarHBondContact O-N 2.91Å; E258-K262 WeakPolarHBondContact O-CG 3.39Å; E258-K262 PolarHBondContact O-N 3.39Å; E258-K262 VanDerWaalsContact O-N 3.13Å
259A85.8Confident87.8Confident35 Ų3581.7 Ų81.729%0.28946%0.457SS..Hα-helixtrans-62.7-40.3175.400000112L255 I256 A261 K262 D263L255-A259 WeakPolarHBondContact O-CB 3.33Å; L255-A259 PolarHBondContact O-N 2.86Å; I256-A259 PolarHBondContact O-N 2.92Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 2.82Å; A259-K262 PolarHBondContact O-N 2.92Å; A259-D263 PolarHBondContact O-N 3.48Å
260M82.4Confident87.4Confident52 Ų5282.5 Ų82.526%0.25646%0.455SS..Hα-helixtrans-65.9-33.3175.3-71.6-176.8-51.800112.8I256 G257 E258 Y266 L267 F313I256-M260 HydrophobicContact CG2-CE 4Å; I256-M260 HydrophobicContact CG2-CG 4.4Å; I256-M260 HydrophobicContact CG2-SD 4.1Å; I256-M260 WeakPolarHBondContact O-CB 3.37Å; I256-M260 VanDerWaalsContact O-CG 3.26Å; I256-M260 WeakPolarHBondContact O-CG 3.26Å; I256-M260 PolarHBondContact O-N 3.31Å; G257-M260 PolarHBondContact O-N 2.86Å; E258-M260 VanDerWaalsContact C-N 3.34Å; E258-M260 PolarHBondContact O-N 3.5Å; M260-Y266 HydrophobicContact CG-CD1 3.76Å; M260-Y266 HydrophobicContact CG-CE1 4.12Å; M260-L267 HydrophobicContact CB-CD2 4.44Å; M260-L267 HydrophobicContact CB-CG 4.35Å; M260-L267 HydrophobicContact CG-CD2 3.82Å; M260-L267 HydrophobicContact CG-CG 4.1Å; M260-L267 HydrophobicContact SD-CD2 3.36Å; M260-L267 WeakPolarHBondContact SD-CD2 3.23Å; M260-L267 HydrophobicContact SD-CG 4.27Å; M260-F313 HydrophobicContact CB-CZ 4.41Å
261A81.8Confident86.9Confident72 Ų7280.8 Ų80.860%0.59544%0.438SS*.Hα-helixtrans-75.2-29.6179.200000113.3G257 E258 A259G257-A261 PolarHBondContact O-N 2.98Å; G257-A261 VanDerWaalsContact O-N 3.1Å; E258-A261 PolarHBondContact O-N 2.91Å; A259-A261 VanDerWaalsContact C-N 3.33Å; A259-A261 PolarHBondContact O-N 2.82Å
262K85.2Confident86.5Confident159 Ų15977.6 Ų77.669%0.69143%0.425SS*.Hα-helixtrans-75.8-45.8178.3-72.3175.7-176.3176.30112.1E258 A259E258-K262 WeakPolarHBondContact O-CG 3.39Å; E258-K262 PolarHBondContact O-N 3.39Å; E258-K262 VanDerWaalsContact O-N 3.13Å; A259-K262 PolarHBondContact O-N 2.92Å
263D84.4Confident86.4Confident105 Ų10582.3 Ų82.356%0.56143%0.433SS*.  trans-123.6104.6-173.9-70.2-41.1000112A259 G265 Y266A259-D263 PolarHBondContact O-N 3.48Å; D263-G265 PolarHBondContact O-N 2.86Å; D263-G265 VanDerWaalsContact O-N 3.13Å; D263-Y266 WeakPolarHBondContact O-CB 3.43Å; D263-Y266 PolarHBondContact O-N 3.46Å
264P77.1Confident86.3Confident93 Ų9381.4 Ų81.460%0.60443%0.425SS*.Hα-helixtrans-62.4-22.5174.824.9-33.2000112.4Y266P264-Y266 PolarHBondContact O-N 3.41Å
265G83.4Confident86.1Confident46 Ų4674.7 Ų74.747%0.47440%0.397SS..Hα-helixtrans-65-24.4171.800000114D263 K268 L269D263-G265 PolarHBondContact O-N 2.86Å; D263-G265 VanDerWaalsContact O-N 3.13Å; G265-K268 PolarHBondContact O-N 3.08Å; G265-L269 PolarHBondContact O-N 3.44Å
266Y85.7Confident86.2Confident64 Ų6473.5 Ų73.525%0.25139%0.389SS..Hα-helixtrans-65.8-41179.9-174.1-97.1000112.1M260 D263 P264 L269 R270M260-Y266 HydrophobicContact CG-CD1 3.76Å; M260-Y266 HydrophobicContact CG-CE1 4.12Å; D263-Y266 WeakPolarHBondContact O-CB 3.43Å; D263-Y266 PolarHBondContact O-N 3.46Å; P264-Y266 PolarHBondContact O-N 3.41Å; Y266-L269 PolarHBondContact O-N 3.28Å; Y266-R270 HydrophobicContact CD1-CG 3.95Å; Y266-R270 HydrophobicContact CE1-CG 3.62Å; Y266-R270 WeakPolarHBondContact O-CB 3.39Å; Y266-R270 WeakPolarHBondContact O-CG 3.34Å; Y266-R270 PolarHBondContact O-N 3.43Å; Y266-R270 PolarHBondContact OH-NE 3.49Å; Y266-R270 PolarHBondContact OH-NH2 3.29Å
267L84.4Confident86.3Confident24 Ų2474.5 Ų74.513%0.12640%0.395CS..Hα-helixtrans-62.1-42.8175.3-77.9172.8000111.7M260 R270 K271 A309 F313M260-L267 HydrophobicContact CB-CD2 4.44Å; M260-L267 HydrophobicContact CB-CG 4.35Å; M260-L267 HydrophobicContact CG-CD2 3.82Å; M260-L267 HydrophobicContact CG-CG 4.1Å; M260-L267 HydrophobicContact SD-CD2 3.36Å; M260-L267 WeakPolarHBondContact SD-CD2 3.23Å; M260-L267 HydrophobicContact SD-CG 4.27Å; L267-R270 PolarHBondContact O-N 3.39Å; L267-K271 WeakPolarHBondContact O-CB 3.48Å; L267-K271 PolarHBondContact O-N 3.08Å; L267-A309 HydrophobicContact CD1-CB 4.46Å; L267-F313 HydrophobicContact CD1-CE2 3.89Å; L267-F313 HydrophobicContact CD1-CZ 4.48Å
268K84Confident86.4Confident114 Ų11475.5 Ų75.550%0.49640%0.395SS..Hα-helixtrans-60.3-46.9175.2-66-175.9177.3-177.30111.3G265 R270 K271 I272 L306G265-K268 PolarHBondContact O-N 3.08Å; K268-R270 PolarHBondContact O-N 2.97Å; K268-K271 WeakPolarHBondContact O-CB 3.4Å; K268-K271 PolarHBondContact O-N 3.26Å; K268-I272 WeakPolarHBondContact O-CG1 3.28Å; K268-I272 PolarHBondContact O-N 3.21Å; K268-L306 HydrophobicContact CD-CD1 4.24Å; K268-L306 HydrophobicContact CG-CD1 3.91Å; K268-L306 HydrophobicContact CG-CD2 3.93Å
269L87.6Confident86.4Confident92 Ų9272.7 Ų72.748%0.48239%0.391SS..Hα-helixtrans-62.7-42.7177.1-178.462.5000111.8G265 Y266 I272 R273G265-L269 PolarHBondContact O-N 3.44Å; Y266-L269 PolarHBondContact O-N 3.28Å; L269-I272 PolarHBondContact O-N 3.05Å; L269-R273 HydrophobicContact CD1-CG 4.45Å; L269-R273 VanDerWaalsContact O-CG 3.31Å; L269-R273 WeakPolarHBondContact O-CG 3.5Å; L269-R273 PolarHBondContact O-N 3.17Å
270R87.1Confident86.6Confident133 Ų13378 Ų7850%0.50240%0.403SS..Hα-helixtrans-62.5-40.8175.7-78.6-71-170.4172.12.7112.1Y266 L267 K268 R273 A274Y266-R270 HydrophobicContact CD1-CG 3.95Å; Y266-R270 HydrophobicContact CE1-CG 3.62Å; Y266-R270 WeakPolarHBondContact O-CB 3.39Å; Y266-R270 WeakPolarHBondContact O-CG 3.34Å; Y266-R270 PolarHBondContact O-N 3.43Å; Y266-R270 PolarHBondContact OH-NE 3.49Å; Y266-R270 PolarHBondContact OH-NH2 3.29Å; L267-R270 PolarHBondContact O-N 3.39Å; K268-R270 PolarHBondContact O-N 2.97Å; R270-R273 PolarHBondContact O-N 2.75Å; R270-A274 WeakPolarHBondContact O-CB 3.1Å; R270-A274 PolarHBondContact O-N 3.06Å
271K86.1Confident86.9Confident14 Ų1479.9 Ų79.96%0.06142%0.418CS..Hα-helixtrans-57.6-48.5173-172-172.2177.3-165.60110.8L267 K268 R273 A274 A275 I297 N299 I300 S302 F305L267-K271 WeakPolarHBondContact O-CB 3.48Å; L267-K271 PolarHBondContact O-N 3.08Å; K268-K271 WeakPolarHBondContact O-CB 3.4Å; K268-K271 PolarHBondContact O-N 3.26Å; K271-R273 PolarHBondContact O-N 3.07Å; K271-A274 PolarHBondContact O-N 3.34Å; K271-A275 WeakPolarHBondContact O-CB 3.43Å; K271-A275 PolarHBondContact O-N 3.47Å; K271-I297 HydrophobicContact CD-CG2 4.21Å; K271-I297 HydrophobicContact CG-CG2 3.62Å; K271-N299 PolarHBondContact NZ-O 2.97Å; K271-I300 PolarHBondContact NZ-O 3.46Å; K271-S302 PolarHBondContact NZ-O 3.41Å; K271-F305 HydrophobicContact CD-CB 4.45Å; K271-F305 HydrophobicContact CD-CD1 4.01Å; K271-F305 HydrophobicContact CD-CG 4.43Å; K271-F305 HydrophobicContact CG-CD1 4.35Å
272I89.1Confident87.1Confident60 Ų6079.4 Ų79.431%0.30841%0.405SS..Hα-helixtrans-63.2-44.3178.5-65.4165.8000111.3K268 L269 A275 Q276 I300K268-I272 WeakPolarHBondContact O-CG1 3.28Å; K268-I272 PolarHBondContact O-N 3.21Å; L269-I272 PolarHBondContact O-N 3.05Å; I272-A275 PolarHBondContact O-N 2.87Å; I272-Q276 HydrophobicContact CG2-CG 4.45Å; I272-Q276 WeakPolarHBondContact O-CB 3.3Å; I272-Q276 WeakPolarHBondContact O-CG 3.5Å; I272-Q276 PolarHBondContact O-N 3.16Å; I272-I300 HydrophobicContact CD1-CG2 4.39Å; I272-I300 HydrophobicContact CG1-CG2 3.94Å
273R91.2Very high87.2Confident143 Ų14376.4 Ų76.454%0.5440%0.404SS..Hα-helixtrans-64-40.2177.5-69.7-65.8-170.5-177.24.7112.1L269 R270 K271 Q276 N277L269-R273 HydrophobicContact CD1-CG 4.45Å; L269-R273 VanDerWaalsContact O-CG 3.31Å; L269-R273 WeakPolarHBondContact O-CG 3.5Å; L269-R273 PolarHBondContact O-N 3.17Å; R270-R273 PolarHBondContact O-N 2.75Å; K271-R273 PolarHBondContact O-N 3.07Å; R273-Q276 PolarHBondContact O-N 2.96Å; R273-N277 PolarHBondContact O-N 2.82Å
274A90.9Very high87.4Confident42 Ų4278.4 Ų78.435%0.34741%0.41SS..Hα-helixtrans-62.4-46.617400000111R270 K271 Q276 N277 V278R270-A274 WeakPolarHBondContact O-CB 3.1Å; R270-A274 PolarHBondContact O-N 3.06Å; K271-A274 PolarHBondContact O-N 3.34Å; A274-Q276 PolarHBondContact O-N 3.32Å; A274-N277 PolarHBondContact O-N 2.73Å; A274-V278 WeakPolarHBondContact O-CG2 3.34Å; A274-V278 PolarHBondContact O-N 2.83Å
275A89.6Confident87.8Confident6 Ų676.5 Ų76.55%0.0540%0.399CS..Hα-helixtrans-60.1-42.8175.500000112.5K271 I272 N277 V278 A279 I297 L298K271-A275 WeakPolarHBondContact O-CB 3.43Å; K271-A275 PolarHBondContact O-N 3.47Å; I272-A275 PolarHBondContact O-N 2.87Å; A275-N277 PolarHBondContact O-N 2.91Å; A275-V278 PolarHBondContact O-N 2.84Å; A275-A279 VanDerWaalsContact O-CB 3.26Å; A275-A279 WeakPolarHBondContact O-CB 3.32Å; A275-A279 PolarHBondContact O-N 3.09Å; A275-I297 WeakPolarHBondContact CB-O 3.33Å; A275-L298 HydrophobicContact CB-CD2 4.17Å; A275-L298 WeakPolarHBondContact O-CD2 3.31Å
276Q91.3Very high87.7Confident89 Ų8980.4 Ų80.442%0.41642%0.419SS..Hα-helixtrans-60.2-42.7174.5-76.6179-16.800112.2I272 R273 A274 R280I272-Q276 HydrophobicContact CG2-CG 4.45Å; I272-Q276 WeakPolarHBondContact O-CB 3.3Å; I272-Q276 WeakPolarHBondContact O-CG 3.5Å; I272-Q276 PolarHBondContact O-N 3.16Å; R273-Q276 PolarHBondContact O-N 2.96Å; A274-Q276 PolarHBondContact O-N 3.32Å; Q276-R280 WeakPolarHBondContact O-CB 3.45Å; Q276-R280 PolarHBondContact O-N 3.09Å
277N91.8Very high87.7Confident89 Ų8983.2 Ų83.248%0.47644%0.438SS..Hα-helixtrans-66.9-46178-74.2-14.6000111.5R273 A274 A275 A279 R280 T281R273-N277 PolarHBondContact O-N 2.82Å; A274-N277 PolarHBondContact O-N 2.73Å; A275-N277 PolarHBondContact O-N 2.91Å; N277-A279 PolarHBondContact O-N 3.03Å; N277-R280 PolarHBondContact O-N 3.44Å; N277-T281 PolarHBondContact O-N 3.32Å; N277-T281 PolarHBondContact O-OG1 3.12Å; N277-T281 VanDerWaalsContact O-OG1 3.08Å
278V88.9Confident87.4Confident47 Ų4793.1 Ų93.129%0.28547%0.474SS..Hα-helixtrans-60.4-45.8176.2173.20000110.7A274 A275 R280 T281 L282 L296 L298A274-V278 WeakPolarHBondContact O-CG2 3.34Å; A274-V278 PolarHBondContact O-N 2.83Å; A275-V278 PolarHBondContact O-N 2.84Å; V278-R280 VanDerWaalsContact C-N 3.31Å; V278-R280 PolarHBondContact O-N 2.8Å; V278-T281 PolarHBondContact O-N 2.92Å; V278-L282 HydrophobicContact CG1-CD1 3.78Å; V278-L282 HydrophobicContact CG1-CG 4.32Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.49Å; V278-L282 PolarHBondContact O-N 3.15Å; V278-L296 HydrophobicContact CG1-CB 4.25Å; V278-L296 HydrophobicContact CG1-CD2 4.18Å; V278-L298 HydrophobicContact CB-CD2 4.21Å; V278-L298 HydrophobicContact CG1-CD2 4.07Å
279A87.6Confident87.1Confident48 Ų4890.4 Ų90.440%0.39747%0.473SS..Hα-helixtrans-59.9-39.7176.700000112.4A275 N277 L282 S283 L298A275-A279 VanDerWaalsContact O-CB 3.26Å; A275-A279 WeakPolarHBondContact O-CB 3.32Å; A275-A279 PolarHBondContact O-N 3.09Å; N277-A279 PolarHBondContact O-N 3.03Å; A279-L282 PolarHBondContact O-N 3.39Å; A279-S283 WeakPolarHBondContact O-CB 3.39Å; A279-S283 PolarHBondContact O-N 3.39Å; A279-S283 PolarHBondContact O-OG 3.38Å; A279-L298 HydrophobicContact CB-CD2 4.34Å
280R90Very high86.7Confident145 Ų14597 Ų9755%0.54749%0.493SS..Hα-helixtrans-67.3-42.7175.6-171.8-176.4-67.1154.8-2.3112.2Q276 N277 V278 L282 S283 Q284Q276-R280 WeakPolarHBondContact O-CB 3.45Å; Q276-R280 PolarHBondContact O-N 3.09Å; N277-R280 PolarHBondContact O-N 3.44Å; V278-R280 VanDerWaalsContact C-N 3.31Å; V278-R280 PolarHBondContact O-N 2.8Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 3.45Å; R280-S283 PolarHBondContact O-N 2.96Å; R280-S283 PolarHBondContact O-OG 2.87Å; R280-Q284 WeakPolarHBondContact O-CG 3.47Å; R280-Q284 PolarHBondContact O-N 3.19Å; R280-Q284 VanDerWaalsContact O-N 3.12Å
281T88.9Confident86.4Confident93 Ų9395.4 Ų95.457%0.57149%0.494SS*.Hα-helixtrans-63.4-40.4175.9-56.50000111.2N277 V278 Q284 S285N277-T281 PolarHBondContact O-N 3.32Å; N277-T281 PolarHBondContact O-OG1 3.12Å; N277-T281 VanDerWaalsContact O-OG1 3.08Å; V278-T281 PolarHBondContact O-N 2.92Å; T281-Q284 PolarHBondContact O-N 3Å; T281-S285 WeakPolarHBondContact O-CB 3.36Å; T281-S285 PolarHBondContact O-N 3.12Å
282L86Confident86.3Confident61 Ų6199.1 Ų99.132%0.31951%0.514SS..Hα-helixtrans-68.2-39.2176.9-69.7169.9000112.4V278 A279 R280 Q284 S285 L291 L296 L298V278-L282 HydrophobicContact CG1-CD1 3.78Å; V278-L282 HydrophobicContact CG1-CG 4.32Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 VanDerWaalsContact O-CG 3.27Å; V278-L282 WeakPolarHBondContact O-CG 3.49Å; V278-L282 PolarHBondContact O-N 3.15Å; A279-L282 PolarHBondContact O-N 3.39Å; R280-L282 VanDerWaalsContact C-N 3.32Å; R280-L282 PolarHBondContact O-N 3.45Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.4Å; L282-S285 PolarHBondContact O-N 3.26Å; L282-S285 PolarHBondContact O-OG 3.49Å; L282-L291 HydrophobicContact CD2-CD1 4.43Å; L282-L296 HydrophobicContact CD1-CD1 3.83Å; L282-L298 HydrophobicContact CD1-CD1 4.2Å
283S86.3Confident85.8Confident96 Ų9698.5 Ų98.567%0.67152%0.518SS*.Hα-helixtrans-68.5-28.3177.972.40000112.8A279 R280A279-S283 WeakPolarHBondContact O-CB 3.39Å; A279-S283 PolarHBondContact O-N 3.39Å; A279-S283 PolarHBondContact O-OG 3.38Å; R280-S283 PolarHBondContact O-N 2.96Å; R280-S283 PolarHBondContact O-OG 2.87Å
284Q89.2Confident85.3Confident147 Ų14796 Ų9669%0.68752%0.516SS*.Hα-helixtrans-84.7-24.7175.2-70.2177.6-17.500113.4R280 T281 L282 S286R280-Q284 WeakPolarHBondContact O-CG 3.47Å; R280-Q284 PolarHBondContact O-N 3.19Å; R280-Q284 VanDerWaalsContact O-N 3.12Å; T281-Q284 PolarHBondContact O-N 3Å; L282-Q284 VanDerWaalsContact C-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.4Å; Q284-S286 PolarHBondContact O-N 3.49Å
285S85.1Confident84.8Confident53 Ų53100.3 Ų100.337%0.37153%0.533SS..  trans-66.5128.4179.968.90000110.8T281 L282 N287T281-S285 WeakPolarHBondContact O-CB 3.36Å; T281-S285 PolarHBondContact O-N 3.12Å; L282-S285 PolarHBondContact O-N 3.26Å; L282-S285 PolarHBondContact O-OG 3.49Å; S285-N287 PolarHBondContact O-N 3.39Å
286S81.9Confident84.4Confident128 Ų128102 Ų10290%0.89554%0.541SS*.SBendtrans-71.3-16.9175.549.70000113Q284Q284-S286 PolarHBondContact O-N 3.49Å
287N84.2Confident83.9Confident124 Ų124101 Ų10166%0.66354%0.537SS*.SBendtrans-91.5117.8-177.8-161.518.8000111.1S285 A289S285-N287 PolarHBondContact O-N 3.39Å; N287-A289 PolarHBondContact O-N 3.13Å; N287-A289 VanDerWaalsContact O-N 3.11Å
288R78.3Confident83.4Confident232 Ų23299.1 Ų99.188%0.87553%0.527SS*.  trans-80.191.3176.5-66.4-178.9-179.1162.20.4109.5
289A78.1Confident83.1Confident56 Ų56100 Ų10046%0.46353%0.53SS..  trans-95.8125.4171.600000110.6N287 L291N287-A289 PolarHBondContact O-N 3.13Å; N287-A289 VanDerWaalsContact O-N 3.11Å; A289-L291 HydrophobicContact CB-CD1 4.24Å; A289-L291 HydrophobicContact CB-CG 4.09Å; A289-L291 PolarHBondContact O-N 2.74Å
290Y79.9Confident82.8Confident230 Ų230102.5 Ų102.590%0.90254%0.536SS*.  trans-80.399170.9-66.5-87.1000109
291L80.7Confident82.2Confident101 Ų10198.8 Ų98.853%0.52954%0.543SS..  trans-113.8140.9179.8-64.2172.1000109.8L282 A289 A293 L296L282-L291 HydrophobicContact CD2-CD1 4.43Å; A289-L291 HydrophobicContact CB-CD1 4.24Å; A289-L291 HydrophobicContact CB-CG 4.09Å; A289-L291 PolarHBondContact O-N 2.74Å; L291-A293 PolarHBondContact O-N 3.32Å; L291-L296 HydrophobicContact CB-CD1 3.51Å; L291-L296 HydrophobicContact CB-CG 4.22Å; L291-L296 HydrophobicContact CD1-CD1 3.99Å; L291-L296 HydrophobicContact CD1-CD2 4.27Å; L291-L296 HydrophobicContact CG-CD1 4.41Å
292N82.5Confident81.6Confident91 Ų9195.7 Ų95.749%0.48753%0.525SS..  trans-66.6125.7178.3-171.2-33.4000110N294 N295 L296N292-N294 PolarHBondContact O-N 3.04Å; N292-N294 WeakPolarHBondContact OD1-CB 3.42Å; N292-N294 PolarHBondContact OD1-N 2.86Å; N292-N295 HydrophobicContact CB-CB 4.44Å; N292-N295 PolarHBondContact O-N 2.87Å; N292-L296 PolarHBondContact O-N 3.28Å
293A79.8Confident81Confident48 Ų4897.1 Ų97.140%0.39753%0.533SS..THydrogen-bonded Turntrans-57.7-29.5-179.700000113.3L291 L296 I297 L298L291-A293 PolarHBondContact O-N 3.32Å; A293-L296 PolarHBondContact O-N 2.91Å; A293-I297 PolarHBondContact O-N 3.17Å; A293-L298 HydrophobicContact CB-CB 4.28Å; A293-L298 PolarHBondContact O-N 2.77Å
294N79.8Confident80.6Confident90 Ų9097.7 Ų97.748%0.48153%0.528SS..THydrogen-bonded Turntrans-70.1-39.1177-68.5-16.1000111.7N292 L296 I297 N299N292-N294 PolarHBondContact O-N 3.04Å; N292-N294 WeakPolarHBondContact OD1-CB 3.42Å; N292-N294 PolarHBondContact OD1-N 2.86Å; N294-L296 PolarHBondContact O-N 3.42Å; N294-I297 PolarHBondContact O-N 2.89Å; N294-N299 WeakPolarHBondContact OD1-CB 3.4Å; N294-N299 PolarHBondContact OD1-ND2 3.11Å
295N81Confident80Confident133 Ų13394.6 Ų94.671%0.71151%0.513SS*.THydrogen-bonded Turntrans-67.5-27.8177.9-68.92.9000112.2N292N292-N295 HydrophobicContact CB-CB 4.44Å; N292-N295 PolarHBondContact O-N 2.87Å
296L80Confident79.7Confident41 Ų4193.2 Ų93.222%0.21550%0.501CS..THydrogen-bonded Turntrans-91.94.8-179.5-68.3173000113.7V278 L282 L291 N292 A293 N294 L298V278-L296 HydrophobicContact CG1-CB 4.25Å; V278-L296 HydrophobicContact CG1-CD2 4.18Å; L282-L296 HydrophobicContact CD1-CD1 3.83Å; L291-L296 HydrophobicContact CB-CD1 3.51Å; L291-L296 HydrophobicContact CB-CG 4.22Å; L291-L296 HydrophobicContact CD1-CD1 3.99Å; L291-L296 HydrophobicContact CD1-CD2 4.27Å; L291-L296 HydrophobicContact CG-CD1 4.41Å; N292-L296 PolarHBondContact O-N 3.28Å; A293-L296 PolarHBondContact O-N 2.91Å; N294-L296 PolarHBondContact O-N 3.42Å; L296-L298 HydrophobicContact CB-CD1 3.83Å; L296-L298 HydrophobicContact CB-CG 3.72Å; L296-L298 HydrophobicContact CD1-CD1 3.91Å; L296-L298 PolarHBondContact O-N 3.47Å; L296-L298 VanDerWaalsContact O-N 3.13Å
297I81.4Confident79.7Confident67 Ų6792.2 Ų92.234%0.34448%0.483SS..THydrogen-bonded Turntrans57.926.8-178.3-39.8176.9000111.3K271 A275 A293 N294K271-I297 HydrophobicContact CD-CG2 4.21Å; K271-I297 HydrophobicContact CG-CG2 3.62Å; A275-I297 WeakPolarHBondContact CB-O 3.33Å; A293-I297 PolarHBondContact O-N 3.17Å; N294-I297 PolarHBondContact O-N 2.89Å
298L82.2Confident79.4Confident51 Ų5188.9 Ų88.927%0.26747%0.469SS..  trans-82.1-19.6179.3-64.8175.3000111.8A275 V278 A279 L282 A293 L296 I300A275-L298 HydrophobicContact CB-CD2 4.17Å; A275-L298 WeakPolarHBondContact O-CD2 3.31Å; V278-L298 HydrophobicContact CB-CD2 4.21Å; V278-L298 HydrophobicContact CG1-CD2 4.07Å; A279-L298 HydrophobicContact CB-CD2 4.34Å; L282-L298 HydrophobicContact CD1-CD1 4.2Å; A293-L298 HydrophobicContact CB-CB 4.28Å; A293-L298 PolarHBondContact O-N 2.77Å; L296-L298 HydrophobicContact CB-CD1 3.83Å; L296-L298 HydrophobicContact CB-CG 3.72Å; L296-L298 HydrophobicContact CD1-CD1 3.91Å; L296-L298 PolarHBondContact O-N 3.47Å; L296-L298 VanDerWaalsContact O-N 3.13Å; L298-I300 PolarHBondContact O-N 2.68Å; L298-I300 VanDerWaalsContact O-N 3.08Å
299N83Confident79.4Confident65 Ų6578.6 Ų78.635%0.34843%0.434SS..  trans-76.694.1174.5-167.5-9.6000110.5K271 N294 G301 S302K271-N299 PolarHBondContact NZ-O 2.97Å; N294-N299 WeakPolarHBondContact OD1-CB 3.4Å; N294-N299 PolarHBondContact OD1-ND2 3.11Å; N299-G301 VanDerWaalsContact C-N 3.28Å; N299-G301 PolarHBondContact O-N 3.34Å; N299-G301 PolarHBondContact OD1-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.72Å; N299-S302 PolarHBondContact OD1-N 3.26Å
300I80.7Confident79.4Confident101 Ų10179.9 Ų79.952%0.51843%0.433SS..THydrogen-bonded Turntrans-68.2-32-177.2-56.7170.3000110.7K271 I272 L298K271-I300 PolarHBondContact NZ-O 3.46Å; I272-I300 HydrophobicContact CD1-CG2 4.39Å; I272-I300 HydrophobicContact CG1-CG2 3.94Å; L298-I300 PolarHBondContact O-N 2.68Å; L298-I300 VanDerWaalsContact O-N 3.08Å
301G76.1Confident79.4Confident67 Ų6774.4 Ų74.469%0.69142%0.415SS*.THydrogen-bonded Turntrans-83.5-11-175.200000115.8N299N299-G301 VanDerWaalsContact C-N 3.28Å; N299-G301 PolarHBondContact O-N 3.34Å; N299-G301 PolarHBondContact OD1-N 3.42Å
302S76.4Confident79.2Confident27 Ų2775.4 Ų75.419%0.18942%0.421CS..  trans-78126.8174.566.50000111.4K271 N299 D304K271-S302 PolarHBondContact NZ-O 3.41Å; N299-S302 PolarHBondContact O-OG 2.72Å; N299-S302 PolarHBondContact OD1-N 3.26Å; S302-D304 VanDerWaalsContact C-N 3.3Å
303D74.3Confident78.8Confident91 Ų9175 Ų7549%0.48741%0.414SS..  trans-81-7.9177.9-79.8-22.5000113F305 L306 Q307D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.33Å; D303-F305 VanDerWaalsContact O-N 3.13Å; D303-L306 WeakPolarHBondContact O-CA 3.28Å; D303-L306 PolarHBondContact O-N 2.93Å; D303-Q307 HydrophobicContact CB-CG 4.39Å; D303-Q307 WeakPolarHBondContact O-CG 3.44Å; D303-Q307 PolarHBondContact O-N 2.7Å
304D77.7Confident78.6Confident108 Ų10879.7 Ų79.758%0.57843%0.426SS*.Hα-helixtrans-50.5-42.1-177.2-52.4-12.1000113.5S302 S308S302-D304 VanDerWaalsContact C-N 3.3Å; D304-S308 WeakPolarHBondContact O-CB 3.45Å; D304-S308 PolarHBondContact O-N 3.33Å; D304-S308 VanDerWaalsContact O-N 3.09Å; D304-S308 PolarHBondContact O-OG 2.91Å
305F77.6Confident78.3Confident82 Ų8282.7 Ų82.736%0.3644%0.435SS..Hα-helixtrans-68.4-35.9178.2-179.9-94.7000112.6K271 D303 S308 A309K271-F305 HydrophobicContact CD-CB 4.45Å; K271-F305 HydrophobicContact CD-CD1 4.01Å; K271-F305 HydrophobicContact CD-CG 4.43Å; K271-F305 HydrophobicContact CG-CD1 4.35Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 PolarHBondContact O-N 3.33Å; D303-F305 VanDerWaalsContact O-N 3.13Å; F305-S308 WeakPolarHBondContact CA-OG 3.42Å; F305-S308 PolarHBondContact O-OG 3.16Å; F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.09Å
306L78.2Confident77.5Confident25 Ų2585 Ų8513%0.13144%0.439CS..Hα-helixtrans-78.1-39.3-179.5-62.6173.6000110.8K268 D303 A309 D310K268-L306 HydrophobicContact CD-CD1 4.24Å; K268-L306 HydrophobicContact CG-CD1 3.91Å; K268-L306 HydrophobicContact CG-CD2 3.93Å; D303-L306 WeakPolarHBondContact O-CA 3.28Å; D303-L306 PolarHBondContact O-N 2.93Å; L306-A309 PolarHBondContact O-N 2.86Å; L306-D310 WeakPolarHBondContact O-CB 3.39Å; L306-D310 PolarHBondContact O-N 3.16Å
307Q80.7Confident76.5Confident107 Ų10792.3 Ų92.350%0.547%0.469SS..Hα-helixtrans-61.1-46.7175.3-70.1179.61100111.3D303 A309 D310 E311D303-Q307 HydrophobicContact CB-CG 4.39Å; D303-Q307 WeakPolarHBondContact O-CG 3.44Å; D303-Q307 PolarHBondContact O-N 2.7Å; Q307-A309 VanDerWaalsContact C-N 3.34Å; Q307-A309 PolarHBondContact O-N 2.83Å; Q307-D310 PolarHBondContact O-N 3.28Å; Q307-E311 WeakPolarHBondContact O-CG 3.26Å; Q307-E311 PolarHBondContact O-N 3.24Å
308S78.5Confident75Confident54 Ų54101 Ų10138%0.37850%0.504SS..Hα-helixtrans-63.5-37.517649.20000112.7D304 F305 L312D304-S308 WeakPolarHBondContact O-CB 3.45Å; D304-S308 PolarHBondContact O-N 3.33Å; D304-S308 VanDerWaalsContact O-N 3.09Å; D304-S308 PolarHBondContact O-OG 2.91Å; F305-S308 WeakPolarHBondContact CA-OG 3.42Å; F305-S308 PolarHBondContact O-OG 3.16Å; S308-L312 WeakPolarHBondContact O-CG 3.29Å; S308-L312 PolarHBondContact O-N 3.34Å
309A77.7Confident74.6Confident16 Ų16103.5 Ų103.513%0.13252%0.516CS..Hα-helixtrans-63.7-46.3171.900000112L267 F305 L306 Q307 E311 L312 F313L267-A309 HydrophobicContact CD1-CB 4.46Å; F305-A309 WeakPolarHBondContact O-CB 3.41Å; F305-A309 PolarHBondContact O-N 3.09Å; L306-A309 PolarHBondContact O-N 2.86Å; Q307-A309 VanDerWaalsContact C-N 3.34Å; Q307-A309 PolarHBondContact O-N 2.83Å; A309-E311 VanDerWaalsContact C-N 3.32Å; A309-E311 PolarHBondContact O-N 3.17Å; A309-L312 WeakPolarHBondContact O-CB 3.47Å; A309-L312 PolarHBondContact O-N 2.95Å; A309-L312 VanDerWaalsContact O-N 3.16Å; A309-F313 WeakPolarHBondContact O-CD2 3.25Å; A309-F313 PolarHBondContact O-N 3.45Å
310D78.6Confident74.2Confident83 Ų83105.5 Ų105.544%0.44452%0.524SS..Hα-helixtrans-61.8-37.8177.8-79.2-18.8000112.2L306 Q307 F313 K314L306-D310 WeakPolarHBondContact O-CB 3.39Å; L306-D310 PolarHBondContact O-N 3.16Å; Q307-D310 PolarHBondContact O-N 3.28Å; D310-F313 PolarHBondContact O-N 2.86Å; D310-K314 WeakPolarHBondContact O-CB 3.29Å; D310-K314 VanDerWaalsContact O-CG 3.3Å; D310-K314 WeakPolarHBondContact O-CG 3.26Å; D310-K314 PolarHBondContact O-N 2.83Å
311E80.7Confident73.8Confident115 Ų115105.8 Ų105.854%0.53753%0.525SS..Hα-helixtrans-61.8-40.5173.6-76.4-177.1-179.400112.5Q307 A309 K314 K315Q307-E311 WeakPolarHBondContact O-CG 3.26Å; Q307-E311 PolarHBondContact O-N 3.24Å; A309-E311 VanDerWaalsContact C-N 3.32Å; A309-E311 PolarHBondContact O-N 3.17Å; E311-K314 PolarHBondContact O-N 2.99Å; E311-K315 PolarHBondContact O-N 3.44Å
312L76.8Confident73.7Confident122 Ų122108.1 Ų108.164%0.63952%0.515SS*.Hα-helixtrans-66.4-41.5175.8-69.3171.8000111.7S308 A309 K314 K315 K316S308-L312 WeakPolarHBondContact O-CG 3.29Å; S308-L312 PolarHBondContact O-N 3.34Å; A309-L312 WeakPolarHBondContact O-CB 3.47Å; A309-L312 PolarHBondContact O-N 2.95Å; A309-L312 VanDerWaalsContact O-N 3.16Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 2.7Å; L312-K315 PolarHBondContact O-N 3.44Å; L312-K316 PolarHBondContact O-N 3.13Å; L312-K316 VanDerWaalsContact O-N 3.16Å
313F73.5Confident73.5Confident82 Ų82113.1 Ų113.136%0.3654%0.535SS..Hα-helixtrans-64.6-36.7174.3-76-68.5000112.4M260 L267 A309 D310M260-F313 HydrophobicContact CB-CZ 4.41Å; L267-F313 HydrophobicContact CD1-CE2 3.89Å; L267-F313 HydrophobicContact CD1-CZ 4.48Å; A309-F313 WeakPolarHBondContact O-CD2 3.25Å; A309-F313 PolarHBondContact O-N 3.45Å; D310-F313 PolarHBondContact O-N 2.86Å
314K75.4Confident73.4Confident147 Ų147114.6 Ų114.664%0.63954%0.539SS*.Hα-helixtrans-68.1-40.8174.8-75173-175.9173.20112.2D310 E311 L312 K316 K317D310-K314 WeakPolarHBondContact O-CB 3.29Å; D310-K314 VanDerWaalsContact O-CG 3.3Å; D310-K314 WeakPolarHBondContact O-CG 3.26Å; D310-K314 PolarHBondContact O-N 2.83Å; E311-K314 PolarHBondContact O-N 2.99Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 2.7Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 2.83Å; K314-K317 PolarHBondContact O-N 3.36Å
315K73.6Confident73.1Confident152 Ų152115.1 Ų115.166%0.66154%0.536SS*.Hα-helixtrans-62.3-35.8176-82.9-179.1178.6172.60112.7E311 L312 K317 K318E311-K315 PolarHBondContact O-N 3.44Å; L312-K315 PolarHBondContact O-N 3.44Å; K315-K317 VanDerWaalsContact C-N 3.25Å; K315-K317 PolarHBondContact O-N 3.46Å; K315-K318 PolarHBondContact O-N 2.89Å
316K64.1Low72.8Confident183 Ų183117.6 Ų117.680%0.79655%0.549SS*.THydrogen-bonded Turntrans-71.8-15.7179.2-161.2178.3179.8-177.70114L312 K314L312-K316 PolarHBondContact O-N 3.13Å; L312-K316 VanDerWaalsContact O-N 3.16Å; K314-K316 VanDerWaalsContact C-N 3.32Å; K314-K316 PolarHBondContact O-N 2.83Å
317K59.5Low72.3Confident194 Ų194125.3 Ų125.384%0.84358%0.584SS**THydrogen-bonded Turntrans-92.7-5.9177.2-77-173.9176.5-1790113.7K314 K315K314-K317 PolarHBondContact O-N 3.36Å; K315-K317 VanDerWaalsContact C-N 3.25Å; K315-K317 PolarHBondContact O-N 3.46Å
318K48.7Very low71.6Confident249 Ų249127 Ų127100%1.08359%0.592SS**  trans-100.60171.1-74.6-170.6175.5-173.70109.8K315K315-K318 PolarHBondContact O-N 2.89Å

Retrieved 318 of 318 residues in 396.1 ms (Link to these results)