A0A093HVK1_STRCA Loading...

Microfibril-associated glycoprotein 3

Component of the elastin-associated microfibrils.

AlphaFold DB , UniProt , Accession A0A093HVK1, Species STRCA (Struthio camelus australis), Gene n/a, Length 341 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
1M44.9Very low47.9Very low225 Ų225116.9 Ų116.9100%1.10863%0.629SS**  0-21.30-69.2173.987.500115
2K43.4Very low48.2Very low194 Ų194115 Ų11584%0.84362%0.624SS**Hα-helixtrans-79.6-27.9-177.4-69.2175.8175.9173.40115.6
3L44.7Very low48.4Very low144 Ų144111.6 Ų111.675%0.75461%0.614SS**Hα-helixtrans-75.1-31.7-178.2-161.171.4000113.2L7L3-L7 PolarHBondContact O-N 3.26Å
4S46.8Very low48.2Very low78 Ų78110.1 Ų110.155%0.54561%0.609SS.*Hα-helixtrans-72.9-28.9179.6-165.20000112.6L8S4-L8 WeakPolarHBondContact O-CB 3.3Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 VanDerWaalsContact O-CG 3.3Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 3.36Å; S4-L8 VanDerWaalsContact O-N 3.15Å
5C39Very low47.7Very low74 Ų74110 Ų11050%0.561%0.608SS.*Hα-helixtrans-73.1-39178.6-161.90000111.4L8 L9C5-L8 PolarHBondContact O-N 2.67Å; C5-L9 WeakPolarHBondContact O-CG 3.35Å; C5-L9 PolarHBondContact O-N 2.81Å
6C45.9Very low47.2Very low77 Ų77112.4 Ų112.452%0.5262%0.618SS.*Hα-helixtrans-67-38.8174.3-83.20000113L9 L10C6-L9 PolarHBondContact O-N 3.05Å; C6-L10 VanDerWaalsContact O-CG 3.31Å; C6-L10 WeakPolarHBondContact O-CG 3.45Å; C6-L10 PolarHBondContact O-N 3.39Å; C6-L10 VanDerWaalsContact O-N 3.09Å
7L52.9Low46.8Very low110 Ų110110.9 Ų110.958%0.57662%0.624SS**Hα-helixtrans-64.9-40.1174.6-106.394.7000111.8L3 L10 T11L3-L7 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.1Å; L7-T11 WeakPolarHBondContact O-CG2 3.41Å; L7-T11 PolarHBondContact O-N 3.02Å; L7-T11 PolarHBondContact O-OG1 3.49Å
8L51.8Low46.4Very low102 Ų102110.4 Ų110.453%0.53462%0.624SS.*Hα-helixtrans-65.9-35.9177.1-77.4164.5000112.6S4 C5 L10 T11 V12S4-L8 WeakPolarHBondContact O-CB 3.3Å; S4-L8 WeakPolarHBondContact O-CD1 3.46Å; S4-L8 VanDerWaalsContact O-CG 3.3Å; S4-L8 WeakPolarHBondContact O-CG 3.47Å; S4-L8 PolarHBondContact O-N 3.36Å; S4-L8 VanDerWaalsContact O-N 3.15Å; C5-L8 PolarHBondContact O-N 2.67Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-T11 WeakPolarHBondContact CA-OG1 3.39Å; L8-T11 PolarHBondContact O-N 3.04Å; L8-T11 PolarHBondContact O-OG1 2.89Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.02Å; L8-V12 VanDerWaalsContact O-N 3.1Å
9L51.4Low45.8Very low116 Ų116107.7 Ų107.761%0.60762%0.623SS**Hα-helixtrans-68.7-33.9174.1-72.1168.2000112.2C5 C6 S13C5-L9 WeakPolarHBondContact O-CG 3.35Å; C5-L9 PolarHBondContact O-N 2.81Å; C6-L9 PolarHBondContact O-N 3.05Å; L9-S13 PolarHBondContact O-N 3.42Å; L9-S13 PolarHBondContact O-OG 3.15Å
10L54Low45Very low98 Ų98112.5 Ų112.551%0.51364%0.636SS.*Hα-helixtrans-71.8-36.2174.9-72169.1000112.5C6 L7 L8 S13 V14C6-L10 VanDerWaalsContact O-CG 3.31Å; C6-L10 WeakPolarHBondContact O-CG 3.45Å; C6-L10 PolarHBondContact O-N 3.39Å; C6-L10 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.1Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-S13 WeakPolarHBondContact CA-OG 3.32Å; L10-S13 PolarHBondContact O-OG 3.41Å; L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.37Å; L10-V14 PolarHBondContact O-N 3Å
11T52.4Low44.3Very low68 Ų68113 Ų11342%0.41764%0.642SS.*Hα-helixtrans-70-42.8175.854.20000111.4L7 L8 S13 V14 D15L7-T11 WeakPolarHBondContact O-CG2 3.41Å; L7-T11 PolarHBondContact O-N 3.02Å; L7-T11 PolarHBondContact O-OG1 3.49Å; L8-T11 WeakPolarHBondContact CA-OG1 3.39Å; L8-T11 PolarHBondContact O-N 3.04Å; L8-T11 PolarHBondContact O-OG1 2.89Å; T11-S13 VanDerWaalsContact C-N 3.3Å; T11-S13 PolarHBondContact O-N 3.43Å; T11-V14 PolarHBondContact O-N 3.3Å; T11-D15 PolarHBondContact O-N 3.46Å; T11-D15 VanDerWaalsContact O-OD2 3.1Å
12V50.8Low43.6Very low94 Ų94108 Ų10857%0.5762%0.624SS**Hα-helixtrans-65.1-32179173.70000112.5L8 L16L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.02Å; L8-V12 VanDerWaalsContact O-N 3.1Å; V12-L16 PolarHBondContact O-N 2.94Å
13S50.6Low42.9Very low71 Ų71107.5 Ų107.550%0.49762%0.624SS.*Hα-helixtrans-78.7-24.8176.840.80000113.7L9 L10 T11L9-S13 PolarHBondContact O-N 3.42Å; L9-S13 PolarHBondContact O-OG 3.15Å; L10-S13 WeakPolarHBondContact CA-OG 3.32Å; L10-S13 PolarHBondContact O-OG 3.41Å; T11-S13 VanDerWaalsContact C-N 3.3Å; T11-S13 PolarHBondContact O-N 3.43Å
14V45.9Very low42.2Very low90 Ų90106.7 Ų106.755%0.54562%0.621SS.*Hα-helixtrans-79.1-39.4171.7173.40000111.1L10 T11 L16 A17 V18L10-V14 VanDerWaalsContact O-CG2 3.27Å; L10-V14 WeakPolarHBondContact O-CG2 3.37Å; L10-V14 PolarHBondContact O-N 3Å; T11-V14 PolarHBondContact O-N 3.3Å; V14-L16 PolarHBondContact O-N 3.41Å; V14-A17 PolarHBondContact O-N 3.28Å; V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 2.99Å
15D40.7Very low41.4Very low109 Ų109109.8 Ų109.858%0.58364%0.636SS**Hα-helixtrans-69.3-31.4179.5-69.7-39.2000112.8T11 A17 V18 G19T11-D15 PolarHBondContact O-N 3.46Å; T11-D15 VanDerWaalsContact O-OD2 3.1Å; D15-A17 VanDerWaalsContact C-N 3.25Å; D15-A17 PolarHBondContact O-N 3Å; D15-V18 PolarHBondContact O-N 3.01Å; D15-G19 PolarHBondContact O-N 3.42Å
16L40.6Very low41Very low149 Ų149112 Ų11278%0.7865%0.648SS**Hα-helixtrans-70.3-22.3175-152.773.9000112.8V12 V14V12-L16 PolarHBondContact O-N 2.94Å; V14-L16 PolarHBondContact O-N 3.41Å
17A39.6Very low40.4Very low86 Ų86114.5 Ų114.571%0.71166%0.662SS**Hα-helixtrans-86.8-18.4176.900000113.3V14 D15V14-A17 PolarHBondContact O-N 3.28Å; D15-A17 VanDerWaalsContact C-N 3.25Å; D15-A17 PolarHBondContact O-N 3Å
18V40.1Very low39.2Very low103 Ų103115.8 Ų115.862%0.62467%0.67SS**Hα-helixtrans-95.8-14.3-179.3178.80000112.3V14 D15 F20V14-V18 WeakPolarHBondContact O-CG2 3.41Å; V14-V18 PolarHBondContact O-N 2.99Å; D15-V18 PolarHBondContact O-N 3.01Å; V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.11Å
19G33.8Very low38.2Very low59 Ų59122 Ų12261%0.60869%0.686SS**SBendtrans-76.35.5-175.400000118.3D15D15-G19 PolarHBondContact O-N 3.42Å
20F30.6Very low37.2Very low202 Ų202122.5 Ų122.589%0.88669%0.694SS**  trans-122.670.3176.6-91.5-85.8000111.7V18V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.11Å
21T30.9Very low36.1Very low124 Ų124124 Ų12476%0.76171%0.707SS**  trans-134.1136.515455.10000111
22V29.9Very low35Very low119 Ų119126.1 Ų126.172%0.72172%0.72SS**  trans94101.6166.4-167.20000117.3
23E28.6Very low34.1Very low184 Ų184130.2 Ų130.286%0.8674%0.738SS**  -141.3102.9125.4-97.5-168140.400111.1
24N30.3Very low33Very low127 Ų127135.9 Ų135.968%0.67975%0.748SS**  trans37.9109.7136.1-55.1-53.8000121.7
25V29.1Very low32.4Very low144 Ų144136.3 Ų136.387%0.87376%0.755SS**  trans-135.7121.3140.9177.50000110
26V31.6Very low31.9Very low121 Ų121139 Ų13973%0.73376%0.762SS**  trans-64.8135.1178.6174.20000111.8N28V26-N28 HydrophobicContact CG1-CB 4.21Å
27P32.3Very low31.5Very low128 Ų128139.3 Ų139.383%0.83176%0.764SS**  trans-106.1103.1158.932.3-19.8000109.4
28N28.6Very low31.2Very low137 Ų137141.5 Ų141.573%0.73377%0.769SS**  trans-12098.8163.4-153.69.2000108.8V26V26-N28 HydrophobicContact CG1-CB 4.21Å
29R29.9Very low30.9Very low233 Ų233142 Ų14288%0.87978%0.777SS**  trans-156.893.4155-116.7179.3-174.1-173.11.9109.7V31R29-V31 PolarHBondContact O-N 2.99Å
30T30.3Very low31.4Very low126 Ų126147.3 Ų147.377%0.77379%0.791SS**  trans-56.3113.3152.432.30000109
31V31.4Very low31.3Very low130 Ų130146.5 Ų146.579%0.78879%0.789SS**  trans-116111.6159179.70000107.2R29 L33R29-V31 PolarHBondContact O-N 2.99Å; V31-L33 PolarHBondContact O-N 3.37Å
32V28.8Very low32Very low113 Ų113144.8 Ų144.869%0.68578%0.78SS**  trans-54124.7178.1173.80000110.3R34V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 HydrophobicContact CG1-CB 4.31Å; V32-R34 PolarHBondContact O-N 3.47Å
33L33.3Very low32.2Very low180 Ų180145.6 Ų145.694%0.94279%0.785SS**  trans-69.788.4163.8-172.575.5000108V31V31-L33 PolarHBondContact O-N 3.37Å
34R27.8Very low33Very low190 Ų190146.3 Ų146.372%0.71779%0.786SS**  trans-94.4108.6170-170.5174.8-82170.5-8.8108.9V32 F36V32-R34 VanDerWaalsContact C-N 3.3Å; V32-R34 HydrophobicContact CG1-CB 4.31Å; V32-R34 PolarHBondContact O-N 3.47Å; R34-F36 HydrophobicContact CG-CD2 4.02Å; R34-F36 HydrophobicContact CG-CE2 3.62Å; R34-F36 HydrophobicContact CG-CZ 4.17Å; R34-F36 PolarHBondContact O-N 2.94Å
35S31.4Very low33.3Very low99 Ų99149.1 Ų149.169%0.69280%0.795SS**  trans-55.8122.2167.3-172.10000110.4
36F31.5Very low33.6Very low166 Ų166146.6 Ų146.673%0.72879%0.789SS**  trans-136.898.4156.1-76.1-66.2000108.5R34R34-F36 HydrophobicContact CG-CD2 4.02Å; R34-F36 HydrophobicContact CG-CE2 3.62Å; R34-F36 HydrophobicContact CG-CZ 4.17Å; R34-F36 PolarHBondContact O-N 2.94Å
37N32.8Very low34.1Very low155 Ų155149.5 Ų149.583%0.82980%0.8SS**  trans-71.3117.1155.1-90.6-20000108.1
38T33.2Very low34.4Very low131 Ų131149 Ų14980%0.80479%0.794SS**  trans-155.3117.7149.2-30.60000111.2
39S33.6Very low34.6Very low114 Ų114149 Ų14980%0.79779%0.794SS**  trans65.6101.2157.1-161.80000119.6
40L42.8Very low34.9Very low170 Ų170143.6 Ų143.689%0.8979%0.792SS**  trans-71.5121.9156-79.2155.5000110.4
41H29.8Very low35.7Very low185 Ų185142.1 Ų142.186%0.85678%0.784SS**  trans-156.9147.4138.7-131.4-110.7000110.4
42P44.5Very low36.8Very low88 Ų88138.8 Ų138.857%0.57177%0.77SS**  trans-96137-143.836-31000112
43V34.9Very low38.3Very low137 Ų137141.4 Ų141.483%0.8377%0.769SS**  trans-123.763.6155.3-171.90000107.2
44F44.2Very low40.5Very low199 Ų199135.6 Ų135.687%0.87374%0.737SS**  trans-95.192.4156.6-83.2-77.4000107.2
45Q37Very low43.4Very low186 Ų186129.2 Ų129.287%0.86972%0.717SS**  trans-172.7106162.1-101.5165.99.600103.9
46A35.1Very low46.3Very low91 Ų91126.7 Ų126.775%0.75270%0.696SS**  cis-139.9119.146.700000112V48A46-V48 PolarHBondContact O-N 3.2Å
47L42.2Very low49.2Very low182 Ų182124.2 Ų124.295%0.95369%0.689SS**  trans-91.679.4154.4-144.192.6000106.6
48V40.3Very low52.1Low117 Ų117117.1 Ų117.171%0.70965%0.652SS**  trans-131.482.8167.2-176.60000107.4A46A46-V48 PolarHBondContact O-N 3.2Å
49N32.3Very low54.8Low137 Ų137116.3 Ų116.373%0.73364%0.637SS**  trans163.9101.8136.1-78.8-8.5000106.2P51N49-P51 VanDerWaalsContact O-CD 3.3Å; N49-P51 WeakPolarHBondContact O-CD 3.25Å; N49-P51 VanDerWaalsContact O-N 3.1Å
50S36.3Very low57.5Low119 Ų119112.8 Ų112.883%0.83261%0.608SS**  trans-52.7116.5161.7-179.50000107A52S50-A52 PolarHBondContact O-N 3.38Å; S50-A52 VanDerWaalsContact O-N 3.13Å
51P47.4Very low59.7Low95 Ų95107.1 Ų107.162%0.61759%0.591SS**  trans-71.4117.1177.128.4-28.1000105.7N49 Y53N49-P51 VanDerWaalsContact O-CD 3.3Å; N49-P51 WeakPolarHBondContact O-CD 3.25Å; N49-P51 VanDerWaalsContact O-N 3.1Å; P51-Y53 PolarHBondContact O-N 2.92Å
52A52.8Low62.5Low60 Ų60100.9 Ų100.950%0.49657%0.566SS.*  trans-45118.9156.600000106.5S50 H54S50-A52 PolarHBondContact O-N 3.38Å; S50-A52 VanDerWaalsContact O-N 3.13Å; A52-H54 VanDerWaalsContact C-N 3.3Å; A52-H54 PolarHBondContact O-CD2 2.87Å; A52-H54 PolarHBondContact O-N 3.5Å
53Y60.5Low64.8Low168 Ų168100.4 Ų100.466%0.65956%0.564SS**  trans-63.995.5-175.6-156.2-98.5000107P51 D55P51-Y53 PolarHBondContact O-N 2.92Å; Y53-D55 VanDerWaalsContact CD1-CG 3.42Å; Y53-D55 WeakPolarHBondContact CD1-OD1 3.18Å; Y53-D55 VanDerWaalsContact CE1-CG 3.48Å; Y53-D55 WeakPolarHBondContact CE1-OD1 3.42Å; Y53-D55 WeakPolarHBondContact CE1-OD2 3.39Å; Y53-D55 PolarHBondContact O-N 3.14Å
54H80.1Confident67.6Low58 Ų5894.6 Ų94.627%0.26953%0.529SS..  trans-85.997.1-177.5-70.6-55.9000107.8A52 Y130 V132 T133A52-H54 VanDerWaalsContact C-N 3.3Å; A52-H54 PolarHBondContact O-CD2 2.87Å; A52-H54 PolarHBondContact O-N 3.5Å; H54-Y130 AromaticContact CD2-CE2 3.67Å; H54-Y130 AromaticContact CD2-CZ 3.62Å; H54-Y130 PolarHBondContact CD2-OH 3.23Å; H54-Y130 PolarHBondContact NE2-OH 3.21Å; H54-V132 HydrophobicContact CB-CG1 4.46Å; H54-V132 HydrophobicContact CB-CG2 4.36Å; H54-V132 VanDerWaalsContact O-CG1 3.29Å; H54-V132 WeakPolarHBondContact O-CG1 3.4Å; H54-T133 PolarHBondContact O-N 3.38Å
55D89.4Confident69.9Low57 Ų5789.3 Ų89.331%0.30551%0.509SS..EExtended strand (participates in β ladder)trans-96.4128.5173.8-77.20.6000109.6Y53 T133 R135Y53-D55 VanDerWaalsContact CD1-CG 3.42Å; Y53-D55 WeakPolarHBondContact CD1-OD1 3.18Å; Y53-D55 VanDerWaalsContact CE1-CG 3.48Å; Y53-D55 WeakPolarHBondContact CE1-OD1 3.42Å; Y53-D55 WeakPolarHBondContact CE1-OD2 3.39Å; Y53-D55 PolarHBondContact O-N 3.14Å; D55-T133 WeakPolarHBondContact CA-O 3.37Å; D55-T133 VanDerWaalsContact OD1-CB 3.28Å; D55-T133 WeakPolarHBondContact OD1-CB 3.37Å; D55-R135 IonicContact OD2-CZ 3.78Å; D55-R135 VanDerWaalsContact OD2-CZ 3.23Å; D55-R135 IonicContact OD2-NE 3.91Å; D55-R135 PolarHBondContact OD2-NE 3.39Å; D55-R135 IonicContact OD2-NH2 2.81Å; D55-R135 PolarHBondContact OD2-NH2 3.49Å
56I92.1Very high72.6Confident46 Ų4680.4 Ų80.424%0.23647%0.468CS..EExtended strand (participates in β ladder)trans-111.8131.5171.3-59.3178.6000107.5V64 I66 V132 T133 L134 R135I56-V64 HydrophobicContact CG2-CG2 3.59Å; I56-I66 HydrophobicContact CD1-CB 4.33Å; I56-I66 HydrophobicContact CD1-CG1 4.12Å; I56-I66 HydrophobicContact CD1-CG2 4.03Å; I56-V132 HydrophobicContact CD1-CG1 3.59Å; I56-V132 HydrophobicContact CG1-CG1 3.73Å; I56-T133 PolarHBondContact N-O 2.83Å; I56-L134 HydrophobicContact CB-CD1 4.35Å; I56-L134 HydrophobicContact CG2-CD1 4.22Å; I56-R135 PolarHBondContact O-N 2.82Å
57I92.5Very high75.3Confident113 Ų11381.3 Ų81.358%0.57946%0.457SS*.EExtended strand (participates in β ladder)trans-106.8121.1178.2-57175.7000108.1R135 I137I57-R135 CarbonylContact C-O 3.56Å; I57-R135 WeakPolarHBondContact CA-O 3.44Å; I57-R135 HydrophobicContact CG1-CB 4.25Å; I57-I137 HydrophobicContact CG2-CD1 3.43Å; I57-I137 VanDerWaalsContact CG2-CD1 3.43Å; I57-I137 HydrophobicContact CG2-CG1 3.7Å
58A92.7Very high77.5Confident7 Ų772.8 Ų72.86%0.05841%0.412CS..EExtended strand (participates in β ladder)trans-120.6147.6175.700000110.4V64 V109 L134 R135 V136 I137A58-V64 HydrophobicContact CB-CB 4.08Å; A58-V64 HydrophobicContact CB-CG1 4.47Å; A58-V64 HydrophobicContact CB-CG2 4.24Å; A58-V109 HydrophobicContact CB-CG1 4.31Å; A58-V109 HydrophobicContact CB-CG2 4.39Å; A58-L134 HydrophobicContact CB-CD1 3.91Å; A58-R135 PolarHBondContact N-O 3.4Å; A58-V136 CarbonylContact O-C 3.53Å; A58-V136 VanDerWaalsContact O-CA 3.28Å; A58-V136 WeakPolarHBondContact O-CA 3.21Å; A58-I137 PolarHBondContact O-N 2.89Å
59K90.9Very high79.7Confident113 Ų11373.7 Ų73.749%0.49141%0.406SS..EExtended strand (participates in β ladder)trans-88143.1171.3175.8172.1165.7171.80109.5G61 T62 T139K59-G61 PolarHBondContact O-N 3.22Å; K59-T62 HydrophobicContact CB-CG2 3.84Å; K59-T62 HydrophobicContact CG-CG2 4.24Å; K59-T62 PolarHBondContact N-OG1 3.46Å; K59-T62 WeakPolarHBondContact O-CB 3.27Å; K59-T62 PolarHBondContact O-N 3.31Å; K59-T62 VanDerWaalsContact O-N 3.12Å; K59-T62 PolarHBondContact O-OG1 3.27Å; K59-T139 HydrophobicContact CD-CG2 3.77Å; K59-T139 VanDerWaalsContact CE-CG2 3.48Å; K59-T139 WeakPolarHBondContact CE-OG1 3.43Å; K59-T139 HydrophobicContact CG-CG2 3.63Å; K59-T139 WeakPolarHBondContact CG-OG1 3.27Å
60E90.2Very high82.3Confident40 Ų4067.9 Ų67.919%0.18738%0.376CS..THydrogen-bonded Turntrans-55.2136.7174.4-173.1175.8-139.500111.5T62 V109 N110 V136 I137 F138 T139E60-T62 VanDerWaalsContact C-N 3.25Å; E60-T62 PolarHBondContact O-N 3.45Å; E60-V109 CarbonylContact C-O 3.59Å; E60-V109 WeakPolarHBondContact CA-O 3.49Å; E60-N110 PolarHBondContact OE1-OD1 2.81Å; E60-V136 HydrophobicContact CB-CG1 4.29Å; E60-I137 PolarHBondContact N-O 3.3Å; E60-F138 WeakPolarHBondContact OE1-CE2 3.36Å; E60-F138 WeakPolarHBondContact OE2-CD2 3.31Å; E60-F138 VanDerWaalsContact OE2-CE2 3.3Å; E60-F138 WeakPolarHBondContact OE2-CE2 3.4Å; E60-T139 PolarHBondContact OE2-N 3.41Å
61G88.1Confident84.5Confident51 Ų5166.5 Ų66.553%0.52636%0.359SS..THydrogen-bonded Turntrans81.7-11.6-177.200000115.4K59 V109K59-G61 PolarHBondContact O-N 3.22Å; G61-V109 PolarHBondContact N-O 3.17Å
62T90.2Very high85.8Confident55 Ų5565.6 Ų65.634%0.33735%0.349SS..SBendtrans-83167.9174.267.10000112.2K59 E60 K108 V109K59-T62 HydrophobicContact CB-CG2 3.84Å; K59-T62 HydrophobicContact CG-CG2 4.24Å; K59-T62 PolarHBondContact N-OG1 3.46Å; K59-T62 WeakPolarHBondContact O-CB 3.27Å; K59-T62 PolarHBondContact O-N 3.31Å; K59-T62 VanDerWaalsContact O-N 3.12Å; K59-T62 PolarHBondContact O-OG1 3.27Å; E60-T62 VanDerWaalsContact C-N 3.25Å; E60-T62 PolarHBondContact O-N 3.45Å; T62-K108 PolarHBondContact O-N 2.82Å; T62-V109 WeakPolarHBondContact O-CB 3.42Å; T62-V109 WeakPolarHBondContact O-CG2 3.23Å; T62-V109 PolarHBondContact O-N 3.09Å
63S91.6Very high87.1Confident77 Ų7767.6 Ų67.654%0.53836%0.359SS..  trans-98.3144.7171-55.80000110.5I106S63-I106 CarbonylContact C-O 3.56Å; S63-I106 VanDerWaalsContact CA-O 3.22Å; S63-I106 WeakPolarHBondContact CA-O 3.07Å
64V93.4Very high88.1Confident15 Ų1565 Ų659%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-13114017967.40000110.7I56 A58 N105 I106 V109 L134I56-V64 HydrophobicContact CG2-CG2 3.59Å; A58-V64 HydrophobicContact CB-CB 4.08Å; A58-V64 HydrophobicContact CB-CG1 4.47Å; A58-V64 HydrophobicContact CB-CG2 4.24Å; V64-N105 WeakPolarHBondContact O-CA 2.86Å; V64-N105 PolarHBondContact O-OD1 2.98Å; V64-I106 HydrophobicContact CG1-CB 3.94Å; V64-I106 HydrophobicContact CG1-CD1 4.31Å; V64-I106 HydrophobicContact CG1-CG1 4.41Å; V64-I106 PolarHBondContact N-O 3.44Å; V64-I106 PolarHBondContact O-N 2.88Å; V64-V109 HydrophobicContact CB-CG2 4.17Å; V64-V109 HydrophobicContact CG1-CG2 3.5Å; V64-V109 VanDerWaalsContact CG1-CG2 3.5Å; V64-L134 HydrophobicContact CG1-CD1 4.14Å; V64-L134 HydrophobicContact CG1-CD2 4.38Å; V64-L134 HydrophobicContact CG2-CD1 4.21Å
65L92.8Very high88.3Confident88 Ų8864.8 Ų64.846%0.46135%0.35SS..EExtended strand (participates in β ladder)trans-107125.9173.8-17370.6000109.3E67 N105L65-E67 HydrophobicContact CD2-CG 4.37Å; L65-E67 HydrophobicContact CG-CG 4.47Å; L65-N105 HydrophobicContact CD1-CB 3.96Å
66I93.1Very high88.2Confident0 Ų066.9 Ų66.90%036%0.358CS..EExtended strand (participates in β ladder)trans-112.5110.3177.6-49.9-177.6000108.1I56 W80 S103 L104 I106 Y117 V132I56-I66 HydrophobicContact CD1-CB 4.33Å; I56-I66 HydrophobicContact CD1-CG1 4.12Å; I56-I66 HydrophobicContact CD1-CG2 4.03Å; I66-W80 HydrophobicContact CB-CH2 4.16Å; I66-W80 HydrophobicContact CG2-CH2 3.6Å; I66-W80 HydrophobicContact CG2-CZ3 4.02Å; I66-W80 WeakPolarHBondContact O-CZ2 3.23Å; I66-S103 CarbonylContact O-C 3.58Å; I66-S103 VanDerWaalsContact O-CA 3.3Å; I66-S103 WeakPolarHBondContact O-CA 3.2Å; I66-L104 HydrophobicContact CB-CB 4.38Å; I66-L104 HydrophobicContact CD1-CD2 4.48Å; I66-L104 PolarHBondContact N-O 2.96Å; I66-L104 PolarHBondContact O-N 3.45Å; I66-I106 HydrophobicContact CD1-CD1 4.03Å; I66-Y117 HydrophobicContact CD1-CD1 4.38Å; I66-Y117 HydrophobicContact CD1-CD2 4.12Å; I66-Y117 HydrophobicContact CD1-CG 3.99Å; I66-V132 HydrophobicContact CG2-CB 4Å; I66-V132 HydrophobicContact CG2-CG1 4.01Å; I66-V132 HydrophobicContact CG2-CG2 3.99Å
67E91.5Very high87.9Confident110 Ų11070.4 Ų70.451%0.51437%0.369SS..EExtended strand (participates in β ladder)trans-89.7132.4179.8-60-177.1168.500111.4L65 K69 Y130L65-E67 HydrophobicContact CD2-CG 4.37Å; L65-E67 HydrophobicContact CG-CG 4.47Å; E67-K69 PolarHBondContact O-N 3.07Å; E67-Y130 WeakPolarHBondContact O-CE1 3.29Å
68C89.9Confident87.8Confident2 Ų266.5 Ų66.51%0.01435%0.349CS..  trans-82.8110.5171-171.10000110.1V70 W80 N102 C119 Y130C68-V70 PolarHBondContact O-N 3.1Å; C68-V70 WeakPolarHBondContact SG-CG2 3.46Å; C68-W80 HydrophobicContact CB-CH2 4.33Å; C68-W80 HydrophobicContact CB-CZ2 3.83Å; C68-N102 HydrophobicContact CB-CB 4.29Å; C68-N102 WeakPolarHBondContact CB-O 3.28Å; C68-N102 PolarHBondContact N-O 2.71Å; C68-N102 PolarHBondContact O-ND2 3.14Å; C68-C119 HydrophobicContact CB-CB 3.68Å; C68-C119 WeakPolarHBondContact CB-SG 3.39Å; C68-C119 WeakPolarHBondContact SG-CB 3.35Å; C68-C119 CovalentContact SG-SG 2.04Å; C68-C119 PolarHBondContact SG-SG 3.35Å; C68-Y130 HydrophobicContact CB-CD1 4.42Å
69K86.8Confident87.7Confident136 Ų13668.6 Ų68.659%0.59136%0.359SS*.  trans-78.651.6179.5-62.8-171.2-1781790112.6E67 Y130E67-K69 PolarHBondContact O-N 3.07Å; K69-Y130 HydrophobicContact CB-CD2 4.48Å; K69-Y130 HydrophobicContact CB-CE1 4.35Å; K69-Y130 HydrophobicContact CB-CE2 3.9Å; K69-Y130 WeakPolarHBondContact CD-OH 3.44Å; K69-Y130 HydrophobicContact CG-CE1 4.4Å; K69-Y130 HydrophobicContact CG-CE2 4.42Å
70V85.3Confident87.8Confident16 Ų1663.3 Ų63.310%0.09734%0.336CS..SBendtrans-117.2140.7177.8179.90000108.4C68 I72 Y75 A121 L128 Y130C68-V70 PolarHBondContact O-N 3.1Å; C68-V70 WeakPolarHBondContact SG-CG2 3.46Å; V70-I72 PolarHBondContact O-N 3.49Å; V70-Y75 HydrophobicContact CG1-CD2 3.67Å; V70-Y75 HydrophobicContact CG1-CE2 3.29Å; V70-A121 HydrophobicContact CB-CB 4.41Å; V70-A121 HydrophobicContact CG1-CB 3.74Å; V70-L128 HydrophobicContact CB-CD2 4.19Å; V70-L128 HydrophobicContact CG1-CD2 3.56Å; V70-L128 HydrophobicContact CG2-CD2 3.56Å; V70-Y130 HydrophobicContact CG2-CG 4.41Å
71N82.4Confident87.9Confident89 Ų8964.8 Ų64.848%0.47634%0.34SS..  trans-70.996.4179.4-174.3-0.1000110.6S73 Q74 Y75N71-S73 VanDerWaalsContact CG-OG 3.3Å; N71-S73 PolarHBondContact ND2-OG 2.96Å; N71-S73 PolarHBondContact O-N 2.98Å; N71-S73 VanDerWaalsContact O-N 3.1Å; N71-S73 PolarHBondContact OD1-N 3.41Å; N71-S73 PolarHBondContact OD1-OG 3.24Å; N71-Q74 PolarHBondContact O-N 2.66Å; N71-Q74 VanDerWaalsContact O-N 3.11Å; N71-Y75 WeakPolarHBondContact O-CD2 3.31Å
72I75.8Confident88.1Confident77 Ų7763.3 Ų63.340%0.39532%0.321SS..G310 helixtrans-54.3-33.7-174.2-49.8169.4000111.9V70 Q74 Y75 I78 N102V70-I72 PolarHBondContact O-N 3.49Å; I72-Q74 PolarHBondContact O-N 3.22Å; I72-Y75 PolarHBondContact O-N 3.09Å; I72-Y75 VanDerWaalsContact O-O 3.13Å; I72-I78 HydrophobicContact CG1-CD1 4.24Å; I72-I78 HydrophobicContact CG2-CD1 4.41Å; I72-N102 HydrophobicContact CD1-CB 3.55Å; I72-N102 HydrophobicContact CG1-CB 3.87Å
73S79.8Confident88.2Confident102 Ų10262.4 Ų62.471%0.71332%0.316SS*.G310 helixtrans-59.8-18.4-178.464.80000114.6N71N71-S73 VanDerWaalsContact CG-OG 3.3Å; N71-S73 PolarHBondContact ND2-OG 2.96Å; N71-S73 PolarHBondContact O-N 2.98Å; N71-S73 VanDerWaalsContact O-N 3.1Å; N71-S73 PolarHBondContact OD1-N 3.41Å; N71-S73 PolarHBondContact OD1-OG 3.24Å
74Q81.3Confident88.2Confident113 Ų11367.2 Ų67.253%0.52832%0.323SS..G310 helixtrans-99.21.5-179.2-63-177.6-27.700113.6N71 I72 N123N71-Q74 PolarHBondContact O-N 2.66Å; N71-Q74 VanDerWaalsContact O-N 3.11Å; I72-Q74 PolarHBondContact O-N 3.22Å; Q74-N123 PolarHBondContact O-ND2 3.38Å
75Y85.4Confident87.9Confident53 Ų5368.9 Ų68.921%0.20834%0.343CS..  trans-132.1148.4-174.5-59.3-89.8000111.3V70 N71 I72 A121 N123 L128V70-Y75 HydrophobicContact CG1-CD2 3.67Å; V70-Y75 HydrophobicContact CG1-CE2 3.29Å; N71-Y75 WeakPolarHBondContact O-CD2 3.31Å; I72-Y75 PolarHBondContact O-N 3.09Å; I72-Y75 VanDerWaalsContact O-O 3.13Å; Y75-A121 VanDerWaalsContact CD1-C 3.48Å; Y75-A121 HydrophobicContact CD1-CB 3.62Å; Y75-A121 VanDerWaalsContact CD1-O 3.31Å; Y75-A121 WeakPolarHBondContact CD1-O 3.35Å; Y75-A121 HydrophobicContact CD2-CB 3.99Å; Y75-A121 HydrophobicContact CE1-CB 4.02Å; Y75-A121 HydrophobicContact CE2-CB 4.39Å; Y75-A121 HydrophobicContact CG-CB 3.61Å; Y75-N123 HydrophobicContact CD1-CB 3.73Å; Y75-N123 HydrophobicContact CE1-CB 4.29Å; Y75-N123 HydrophobicContact CG-CB 4.46Å; Y75-L128 HydrophobicContact CE1-CB 3.88Å
76E86.8Confident87.8Confident102 Ų10270.3 Ų70.348%0.47735%0.347SS..SBendtrans-84.6-37.1-175.1-67.1-174.6154.600112.2V122 R124E76-V122 PolarHBondContact N-O 3.24Å; E76-R124 WeakPolarHBondContact OE1-CG 3.21Å; E76-R124 IonicContact OE1-CZ 3.44Å; E76-R124 IonicContact OE1-NE 2.72Å; E76-R124 PolarHBondContact OE1-NE 3.4Å; E76-R124 IonicContact OE1-NH2 3.31Å; E76-R124 PolarHBondContact OE1-NH2 2.85Å
77Y85.9Confident87.7Confident120 Ų12074.4 Ų74.447%0.47137%0.368SS..EExtended strand (participates in β ladder)trans-153.6157.3177.155.9-88.8000112L79 V122Y77-L79 HydrophobicContact CD2-CD1 4.44Å; Y77-L79 HydrophobicContact CD2-CD2 4.03Å; Y77-L79 HydrophobicContact CD2-CG 3.99Å; Y77-L79 HydrophobicContact CE2-CD1 4.04Å; Y77-L79 HydrophobicContact CE2-CD2 4.31Å; Y77-L79 HydrophobicContact CE2-CG 4.1Å; Y77-V122 HydrophobicContact CD2-CB 4.07Å; Y77-V122 HydrophobicContact CD2-CG2 4.19Å; Y77-V122 HydrophobicContact CE1-CB 4.15Å; Y77-V122 HydrophobicContact CE1-CG1 4.15Å; Y77-V122 HydrophobicContact CE2-CB 3.58Å; Y77-V122 HydrophobicContact CE2-CG1 4.06Å; Y77-V122 HydrophobicContact CE2-CG2 3.6Å; Y77-V122 PolarHBondContact O-N 2.94Å; Y77-V122 WeakPolarHBondContact OH-CG1 3.43Å
78I89.1Confident87.6Confident30 Ų3069.7 Ų69.715%0.15435%0.347CS..EExtended strand (participates in β ladder)trans-116.9130.8-179.8-64.5173.6000109.5I72 N102 C119 A121I72-I78 HydrophobicContact CG1-CD1 4.24Å; I72-I78 HydrophobicContact CG2-CD1 4.41Å; I78-N102 HydrophobicContact CD1-CB 3.55Å; I78-C119 WeakPolarHBondContact CG2-SG 3.3Å; I78-A121 HydrophobicContact CG1-CB 4.44Å
79L91Very high87.3Confident52 Ų5276.5 Ų76.527%0.27238%0.378SS..EExtended strand (participates in β ladder)trans-113.5138.2176.3-59.2178000110.1Y77 Y81 L87 C119 A120 V122Y77-L79 HydrophobicContact CD2-CD1 4.44Å; Y77-L79 HydrophobicContact CD2-CD2 4.03Å; Y77-L79 HydrophobicContact CD2-CG 3.99Å; Y77-L79 HydrophobicContact CE2-CD1 4.04Å; Y77-L79 HydrophobicContact CE2-CD2 4.31Å; Y77-L79 HydrophobicContact CE2-CG 4.1Å; L79-Y81 HydrophobicContact CB-CE2 4.19Å; L79-L87 HydrophobicContact CB-CD1 3.8Å; L79-L87 HydrophobicContact CD1-CD1 4.42Å; L79-L87 HydrophobicContact CD2-CD1 4.22Å; L79-L87 HydrophobicContact CG-CD1 4.37Å; L79-C119 CarbonylContact O-C 3.52Å; L79-C119 WeakPolarHBondContact O-CA 3.39Å; L79-A120 HydrophobicContact CB-CB 4.33Å; L79-A120 PolarHBondContact N-O 3.46Å; L79-A120 PolarHBondContact O-N 2.74Å; L79-V122 HydrophobicContact CD1-CG2 4.34Å
80W92.8Very high86.6Confident1 Ų176.3 Ų76.30%0.00438%0.379CS..EExtended strand (participates in β ladder)trans-110.1134.2177.4-84.8101000111.8I66 C68 L88 I99 N102 L104 C119I66-W80 HydrophobicContact CB-CH2 4.16Å; I66-W80 HydrophobicContact CG2-CH2 3.6Å; I66-W80 HydrophobicContact CG2-CZ3 4.02Å; I66-W80 WeakPolarHBondContact O-CZ2 3.23Å; C68-W80 HydrophobicContact CB-CH2 4.33Å; C68-W80 HydrophobicContact CB-CZ2 3.83Å; W80-L88 HydrophobicContact CB-CB 4.21Å; W80-L88 HydrophobicContact CB-CD1 4.27Å; W80-L88 PolarHBondContact O-N 3.36Å; W80-I99 HydrophobicContact CB-CD1 4.11Å; W80-N102 WeakPolarHBondContact CZ2-O 3.48Å; W80-L104 HydrophobicContact CD2-CB 3.71Å; W80-L104 HydrophobicContact CD2-CD2 4.08Å; W80-L104 HydrophobicContact CD2-CG 4.44Å; W80-L104 HydrophobicContact CE3-CB 4.12Å; W80-L104 HydrophobicContact CE3-CD2 3.86Å; W80-L104 HydrophobicContact CG-CB 4.09Å; W80-L104 HydrophobicContact CG-CD2 4.4Å; W80-L104 HydrophobicContact CH2-CB 4.33Å; W80-L104 HydrophobicContact CZ2-CB 3.93Å; W80-L104 HydrophobicContact CZ3-CB 4.41Å; W80-L104 HydrophobicContact CZ3-CD2 4.39Å; W80-C119 HydrophobicContact CD2-CB 4.17Å; W80-C119 HydrophobicContact CE3-CB 4.08Å; W80-C119 HydrophobicContact CH2-CB 3.81Å; W80-C119 HydrophobicContact CZ2-CB 3.9Å; W80-C119 HydrophobicContact CZ3-CB 3.9Å
81Y92.7Very high85.7Confident71 Ų7180.8 Ų80.828%0.27840%0.398SS..EExtended strand (participates in β ladder)trans-114.4133.9173.6-63-92.4000109.7L79 H86 L87 Y117 T118 A120L79-Y81 HydrophobicContact CB-CE2 4.19Å; Y81-H86 WeakPolarHBondContact CA-O 3.39Å; Y81-L87 HydrophobicContact CD1-CB 4.32Å; Y81-L87 HydrophobicContact CD1-CD1 4.49Å; Y81-L87 HydrophobicContact CE1-CB 4.05Å; Y81-L87 HydrophobicContact CE1-CD1 4.05Å; Y81-L87 HydrophobicContact CE2-CD1 4.29Å; Y81-Y117 WeakPolarHBondContact O-CA 3.17Å; Y81-T118 PolarHBondContact N-O 3.43Å; Y81-T118 PolarHBondContact O-N 2.92Å; Y81-A120 HydrophobicContact CD2-CB 4.42Å; Y81-A120 HydrophobicContact CE2-CB 3.83Å
82N93.1Very high84.5Confident21 Ų2183.1 Ų83.111%0.11241%0.41CS..  trans-76.5178.5177.172.611000112.7R84 G85 H86 L88 Y117N82-R84 PolarHBondContact O-N 2.89Å; N82-R84 WeakPolarHBondContact OD1-CA 3.27Å; N82-R84 WeakPolarHBondContact OD1-CB 3.34Å; N82-R84 PolarHBondContact OD1-N 3.43Å; N82-G85 PolarHBondContact O-N 3.02Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.12Å; N82-H86 PolarHBondContact N-O 3.35Å; N82-H86 PolarHBondContact OD1-N 3.3Å; N82-L88 HydrophobicContact CB-CD1 4.21Å; N82-L88 HydrophobicContact CB-CD2 3.94Å; N82-L88 HydrophobicContact CB-CG 4.13Å; N82-Y117 HydrophobicContact CB-CD1 4.4Å; N82-Y117 HydrophobicContact CB-CE1 3.92Å
83S92Very high83.6Confident36 Ų3688.3 Ų88.325%0.25243%0.433SS..THydrogen-bonded Turntrans-57.7-17.3178.662.20000115.4R114 R116S83-R114 WeakPolarHBondContact CB-O 3.31Å; S83-R114 PolarHBondContact OG-O 3.47Å; S83-R116 WeakPolarHBondContact CA-O 3.46Å
84R91Very high82.6Confident178 Ų17887.4 Ų87.467%0.67244%0.44SS*.THydrogen-bonded Turntrans-100.1-1.1177.9-59.1179.7-172.8-115.4-1112.9N82N82-R84 PolarHBondContact O-N 2.89Å; N82-R84 WeakPolarHBondContact OD1-CA 3.27Å; N82-R84 WeakPolarHBondContact OD1-CB 3.34Å; N82-R84 PolarHBondContact OD1-N 3.43Å
85G88.3Confident82.2Confident50 Ų5083.1 Ų83.152%0.51543%0.425SS..SBendtrans81.113.8-177.300000114.6N82N82-G85 PolarHBondContact O-N 3.02Å; N82-G85 PolarHBondContact OD1-N 3.39Å; N82-G85 VanDerWaalsContact OD1-N 3.12Å
86H90.6Very high82.1Confident118 Ų11886 Ų8655%0.54644%0.436SS..PPolyproline II helixtrans-82.8135.7173.1-60.7-68.6000110.8Y81 N82 L88Y81-H86 WeakPolarHBondContact CA-O 3.39Å; N82-H86 PolarHBondContact N-O 3.35Å; N82-H86 PolarHBondContact OD1-N 3.3Å; H86-L88 PolarHBondContact O-N 2.91Å
87L90.7Very high82.1Confident85 Ų8583.8 Ų83.845%0.44542%0.423SS..EExtended strand (participates in β ladder)trans-63.4126171.5-176.867.8000109.4L79 Y81L79-L87 HydrophobicContact CB-CD1 3.8Å; L79-L87 HydrophobicContact CD1-CD1 4.42Å; L79-L87 HydrophobicContact CD2-CD1 4.22Å; L79-L87 HydrophobicContact CG-CD1 4.37Å; Y81-L87 HydrophobicContact CD1-CB 4.32Å; Y81-L87 HydrophobicContact CD1-CD1 4.49Å; Y81-L87 HydrophobicContact CE1-CB 4.05Å; Y81-L87 HydrophobicContact CE1-CD1 4.05Å; Y81-L87 HydrophobicContact CE2-CD1 4.29Å
88L89.4Confident82.2Confident12 Ų1281.9 Ų81.96%0.06342%0.415CS..EExtended strand (participates in β ladder)trans-86.8116174.2-64.4-179.8000108.3W80 N82 H86 W97 I99 L104W80-L88 HydrophobicContact CB-CB 4.21Å; W80-L88 HydrophobicContact CB-CD1 4.27Å; W80-L88 PolarHBondContact O-N 3.36Å; N82-L88 HydrophobicContact CB-CD1 4.21Å; N82-L88 HydrophobicContact CB-CD2 3.94Å; N82-L88 HydrophobicContact CB-CG 4.13Å; H86-L88 PolarHBondContact O-N 2.91Å; L88-W97 HydrophobicContact CD2-CD2 4.07Å; L88-W97 HydrophobicContact CD2-CG 4.38Å; L88-W97 HydrophobicContact CD2-CZ2 4.14Å; L88-I99 HydrophobicContact CB-CD1 4.15Å; L88-I99 WeakPolarHBondContact O-CD1 3.27Å; L88-L104 HydrophobicContact CD1-CD1 3.74Å; L88-L104 HydrophobicContact CD1-CD2 3.6Å; L88-L104 HydrophobicContact CD1-CG 4.35Å
89E82.9Confident82.1Confident144 Ų14481.4 Ų81.467%0.67341%0.413SS*.PPolyproline II helixtrans-79.1143.8169.6-65178.4166.700109.7K91E89-K91 PolarHBondContact O-N 3.13Å
90Q71.6Confident81.8Confident132 Ų13280.7 Ų80.762%0.61742%0.415SS*.  trans-62.6111.3171.4-171177.227.600108W98 I99Q90-W98 HydrophobicContact CG-CZ3 4.33Å; Q90-I99 PolarHBondContact NE2-O 3.32Å
91K66.5Low81.2Confident110 Ų11087.7 Ų87.748%0.47845%0.452SS..  trans-101.1144.5170.8-72.6-172.9175.1-174.50108.3E89 W98E89-K91 PolarHBondContact O-N 3.13Å; K91-W98 VanDerWaalsContact O-CZ3 3.23Å; K91-W98 WeakPolarHBondContact O-CZ3 3.47Å
92D57.1Low80.9Confident138 Ų13886 Ų8674%0.73845%0.448SS*.  trans-51.7168.8175.4-61.7-42000113.2G94 G95D92-G94 PolarHBondContact O-N 3.5Å; D92-G95 PolarHBondContact O-N 2.88Å
93E56.8Low80.8Confident187 Ų18785.6 Ų85.687%0.87445%0.447SS*.THydrogen-bonded Turntrans-51.8-4.9-177-72.3-174.5149.100116.4
94G59.8Low80.8Confident83 Ų8383.9 Ų83.986%0.85644%0.435SS*.THydrogen-bonded Turntrans-98.6-3.3172.500000115.8D92D92-G94 PolarHBondContact O-N 3.5Å
95G73.3Confident80.8Confident22 Ų2277.9 Ų77.923%0.22742%0.416CS..SBendtrans-77.3155.8177.800000113.3D92 W97D92-G95 PolarHBondContact O-N 2.88Å; G95-W97 PolarHBondContact O-N 3.37Å
96R82.6Confident81Confident115 Ų11575.5 Ų75.543%0.43439%0.391SS..SBendtrans-60.4-34.1174.5-173.5-174.2-60.9-152-0.6112T107 D113R96-T107 WeakPolarHBondContact CG-O 3.48Å; R96-T107 PolarHBondContact O-N 3.46Å; R96-T107 PolarHBondContact O-OG1 3.17Å; R96-D113 IonicContact NH1-OD2 3.04Å
97W86.6Confident81Confident54 Ų5472.1 Ų72.121%0.20538%0.379CS..EExtended strand (participates in β ladder)trans-125.5139.6179.633.768.5000110.4L88 G95 L104 N105L88-W97 HydrophobicContact CD2-CD2 4.07Å; L88-W97 HydrophobicContact CD2-CG 4.38Å; L88-W97 HydrophobicContact CD2-CZ2 4.14Å; G95-W97 PolarHBondContact O-N 3.37Å; W97-L104 HydrophobicContact CB-CD1 4.07Å; W97-N105 CarbonylContact C-O 3.6Å; W97-N105 WeakPolarHBondContact CA-O 3.47Å
98W87.8Confident80.9Confident80 Ų8075.7 Ų75.730%0.30339%0.391SS..EExtended strand (participates in β ladder)trans-125.7132.7179.3173.2-100.2000109Q90 K91 N105Q90-W98 HydrophobicContact CG-CZ3 4.33Å; K91-W98 VanDerWaalsContact O-CZ3 3.23Å; K91-W98 WeakPolarHBondContact O-CZ3 3.47Å; W98-N105 HydrophobicContact CB-CB 4.37Å; W98-N105 PolarHBondContact N-O 3.38Å; W98-N105 PolarHBondContact O-N 3.09Å
99I88.3Confident81Confident20 Ų2075.2 Ų75.210%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-105.9118.1177.3-59.4170.2000107.4W80 L88 Q90 S103 L104W80-I99 HydrophobicContact CB-CD1 4.11Å; L88-I99 HydrophobicContact CB-CD1 4.15Å; L88-I99 WeakPolarHBondContact O-CD1 3.27Å; Q90-I99 PolarHBondContact NE2-O 3.32Å; I99-S103 WeakPolarHBondContact CA-O 3.41Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å
100A83.1Confident81.4Confident38 Ų3871.4 Ų71.431%0.31437%0.373SS..EExtended strand (participates in β ladder)trans-117.7112.417700000109.2N102 S103A100-N102 PolarHBondContact O-N 3.08Å; A100-S103 PolarHBondContact N-O 2.88Å; A100-S103 PolarHBondContact O-N 3.35Å
101D80.8Confident82.2Confident147 Ų14768.8 Ų68.879%0.78636%0.359SS*.THydrogen-bonded Turntrans50.5-94.9-178.3-55.2-34.9000113.3
102N87.7Confident83.3Confident37 Ų3765.7 Ų65.720%0.19835%0.354CS..THydrogen-bonded Turntrans-1106178.972-16.4000114.3C68 I72 I78 W80 A100C68-N102 HydrophobicContact CB-CB 4.29Å; C68-N102 WeakPolarHBondContact CB-O 3.28Å; C68-N102 PolarHBondContact N-O 2.71Å; C68-N102 PolarHBondContact O-ND2 3.14Å; I72-N102 HydrophobicContact CD1-CB 3.55Å; I72-N102 HydrophobicContact CG1-CB 3.87Å; I78-N102 HydrophobicContact CD1-CB 3.55Å; W80-N102 WeakPolarHBondContact CZ2-O 3.48Å; A100-N102 PolarHBondContact O-N 3.08Å
103S90Very high84.9Confident12 Ų1259.9 Ų59.98%0.08432%0.324CS..EExtended strand (participates in β ladder)trans-121.6138-168-63.30000111.6I66 I99 A100I66-S103 CarbonylContact O-C 3.58Å; I66-S103 VanDerWaalsContact O-CA 3.3Å; I66-S103 WeakPolarHBondContact O-CA 3.2Å; I99-S103 WeakPolarHBondContact CA-O 3.41Å; A100-S103 PolarHBondContact N-O 2.88Å; A100-S103 PolarHBondContact O-N 3.35Å
104L91.9Very high86.6Confident0 Ų057.9 Ų57.90%031%0.308CS..EExtended strand (participates in β ladder)trans-104.5114.9176173.766.3000109.2I66 W80 L88 W97 I99 I106 Y117I66-L104 HydrophobicContact CB-CB 4.38Å; I66-L104 HydrophobicContact CD1-CD2 4.48Å; I66-L104 PolarHBondContact N-O 2.96Å; I66-L104 PolarHBondContact O-N 3.45Å; W80-L104 HydrophobicContact CD2-CB 3.71Å; W80-L104 HydrophobicContact CD2-CD2 4.08Å; W80-L104 HydrophobicContact CD2-CG 4.44Å; W80-L104 HydrophobicContact CE3-CB 4.12Å; W80-L104 HydrophobicContact CE3-CD2 3.86Å; W80-L104 HydrophobicContact CG-CB 4.09Å; W80-L104 HydrophobicContact CG-CD2 4.4Å; W80-L104 HydrophobicContact CH2-CB 4.33Å; W80-L104 HydrophobicContact CZ2-CB 3.93Å; W80-L104 HydrophobicContact CZ3-CB 4.41Å; W80-L104 HydrophobicContact CZ3-CD2 4.39Å; L88-L104 HydrophobicContact CD1-CD1 3.74Å; L88-L104 HydrophobicContact CD1-CD2 3.6Å; L88-L104 HydrophobicContact CD1-CG 4.35Å; W97-L104 HydrophobicContact CB-CD1 4.07Å; I99-L104 HydrophobicContact CG1-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CD1 4.19Å; L104-I106 HydrophobicContact CD2-CG1 4.23Å; L104-I106 HydrophobicContact CG-CG1 4.03Å; L104-Y117 HydrophobicContact CD2-CD1 3.65Å; L104-Y117 HydrophobicContact CD2-CE1 4.07Å
105N92.1Very high88.3Confident51 Ų5155.1 Ų55.127%0.27328%0.28SS..EExtended strand (participates in β ladder)trans-95.7123.5171.5-173.2-10.7000109.3V64 L65 W97 W98V64-N105 WeakPolarHBondContact O-CA 2.86Å; V64-N105 PolarHBondContact O-OD1 2.98Å; L65-N105 HydrophobicContact CD1-CB 3.96Å; W97-N105 CarbonylContact C-O 3.6Å; W97-N105 WeakPolarHBondContact CA-O 3.47Å; W98-N105 HydrophobicContact CB-CB 4.37Å; W98-N105 PolarHBondContact N-O 3.38Å; W98-N105 PolarHBondContact O-N 3.09Å
106I91.9Very high89.3Confident0 Ų061.8 Ų61.80%030%0.298CS..EExtended strand (participates in β ladder)trans-111.2113.6174.5-51.8172.5000107.4S63 V64 I66 L104 V109 Y117 L134S63-I106 CarbonylContact C-O 3.56Å; S63-I106 VanDerWaalsContact CA-O 3.22Å; S63-I106 WeakPolarHBondContact CA-O 3.07Å; V64-I106 HydrophobicContact CG1-CB 3.94Å; V64-I106 HydrophobicContact CG1-CD1 4.31Å; V64-I106 HydrophobicContact CG1-CG1 4.41Å; V64-I106 PolarHBondContact N-O 3.44Å; V64-I106 PolarHBondContact O-N 2.88Å; I66-I106 HydrophobicContact CD1-CD1 4.03Å; L104-I106 HydrophobicContact CD2-CD1 4.19Å; L104-I106 HydrophobicContact CD2-CG1 4.23Å; L104-I106 HydrophobicContact CG-CG1 4.03Å; I106-V109 HydrophobicContact CB-CG2 4.3Å; I106-V109 HydrophobicContact CG2-CG2 4.06Å; I106-Y117 HydrophobicContact CD1-CD1 4.37Å; I106-Y117 HydrophobicContact CD1-CE1 3.65Å; I106-Y117 HydrophobicContact CD1-CE2 4.4Å; I106-L134 HydrophobicContact CD1-CD2 4.21Å
107T90.3Very high89.8Confident48 Ų4856.5 Ų56.529%0.29428%0.278SS..SBendtrans-86143.4175.366.80000110.6R96 V109R96-T107 WeakPolarHBondContact CG-O 3.48Å; R96-T107 PolarHBondContact O-N 3.46Å; R96-T107 PolarHBondContact O-OG1 3.17Å; T107-V109 PolarHBondContact O-N 3.21Å
108K89.2Confident90.1Very high160 Ų16055.2 Ų55.270%0.69628%0.276SS*.SBendtrans4961.8179.7-62.9-178.5178.9177.50112.7T62 N110T62-K108 PolarHBondContact O-N 2.82Å; K108-N110 PolarHBondContact O-N 2.93Å
109V91.8Very high90.3Very high1 Ų151.4 Ų51.41%0.00626%0.262CS..  trans-53.6126.8178.6174.60000110.6A58 E60 G61 T62 V64 I106 T107 D113 L134 V136A58-V109 HydrophobicContact CB-CG1 4.31Å; A58-V109 HydrophobicContact CB-CG2 4.39Å; E60-V109 CarbonylContact C-O 3.59Å; E60-V109 WeakPolarHBondContact CA-O 3.49Å; G61-V109 PolarHBondContact N-O 3.17Å; T62-V109 WeakPolarHBondContact O-CB 3.42Å; T62-V109 WeakPolarHBondContact O-CG2 3.23Å; T62-V109 PolarHBondContact O-N 3.09Å; V64-V109 HydrophobicContact CB-CG2 4.17Å; V64-V109 HydrophobicContact CG1-CG2 3.5Å; V64-V109 VanDerWaalsContact CG1-CG2 3.5Å; I106-V109 HydrophobicContact CB-CG2 4.3Å; I106-V109 HydrophobicContact CG2-CG2 4.06Å; T107-V109 PolarHBondContact O-N 3.21Å; V109-D113 HydrophobicContact CG1-CB 4.44Å; V109-L134 HydrophobicContact CG1-CD2 4.36Å; V109-V136 HydrophobicContact CG1-CB 4.36Å; V109-V136 HydrophobicContact CG1-CG1 3.86Å; V109-V136 HydrophobicContact CG1-CG2 3.51Å
110N90Very high90.5Very high65 Ų6550.5 Ų50.535%0.34826%0.258SS..  trans-99.3155.9173.4-170.7-0.5000110.2E60 K108 A112 D113E60-N110 PolarHBondContact OE1-OD1 2.81Å; K108-N110 PolarHBondContact O-N 2.93Å; N110-A112 PolarHBondContact O-N 2.78Å; N110-A112 VanDerWaalsContact O-N 3.15Å; N110-D113 WeakPolarHBondContact CB-OD2 3.5Å; N110-D113 PolarHBondContact N-OD2 2.88Å; N110-D113 VanDerWaalsContact O-CB 3.3Å; N110-D113 WeakPolarHBondContact O-CB 3.37Å; N110-D113 PolarHBondContact O-N 2.84Å
111F89.1Confident90.9Very high76 Ų7648.7 Ų48.733%0.33324%0.243SC..G310 helixtrans-54.7-32.2172.5-173.6-105.1000113.2D113 R114 F138F111-D113 PolarHBondContact O-N 3.29Å; F111-R114 WeakPolarHBondContact O-CB 3.25Å; F111-R114 VanDerWaalsContact O-CD 3.28Å; F111-R114 WeakPolarHBondContact O-CD 3.47Å; F111-R114 WeakPolarHBondContact O-CG 3.46Å; F111-R114 PolarHBondContact O-N 2.85Å; F111-F138 HydrophobicContact CB-CD2 4Å; F111-F138 HydrophobicContact CD2-CB 3.95Å; F111-F138 HydrophobicContact CD2-CD2 4.26Å; F111-F138 HydrophobicContact CD2-CG 4.46Å; F111-F138 HydrophobicContact CE2-CB 4.31Å; F111-F138 HydrophobicContact CG-CD2 4.22Å
112A89.1Confident91.3Very high45 Ų4542.7 Ų42.737%0.37221%0.211SC..G310 helixtrans-68.3-16.6176.300000114.1N110 R114N110-A112 PolarHBondContact O-N 2.78Å; N110-A112 VanDerWaalsContact O-N 3.15Å; A112-R114 VanDerWaalsContact C-N 3.25Å
113D90.9Very high91.4Very high17 Ų1743.2 Ų43.29%0.09121%0.214CC..G310 helixtrans-81.4-8.5-179.9-59.5-28.2000111.8R96 V109 N110 F111 Y117R96-D113 IonicContact NH1-OD2 3.04Å; V109-D113 HydrophobicContact CG1-CB 4.44Å; N110-D113 WeakPolarHBondContact CB-OD2 3.5Å; N110-D113 PolarHBondContact N-OD2 2.88Å; N110-D113 VanDerWaalsContact O-CB 3.3Å; N110-D113 WeakPolarHBondContact O-CB 3.37Å; N110-D113 PolarHBondContact O-N 2.84Å; F111-D113 PolarHBondContact O-N 3.29Å; D113-Y117 WeakPolarHBondContact O-CE2 3.35Å; D113-Y117 PolarHBondContact O-OH 3.49Å
114R93.4Very high91.2Very high144 Ų14452.5 Ų52.554%0.54325%0.247SC..  trans-56.1147.3174.974.8-171177.2125.1-1.2111.6S83 F111 A112 L134 V136S83-R114 WeakPolarHBondContact CB-O 3.31Å; S83-R114 PolarHBondContact OG-O 3.47Å; F111-R114 WeakPolarHBondContact O-CB 3.25Å; F111-R114 VanDerWaalsContact O-CD 3.28Å; F111-R114 WeakPolarHBondContact O-CD 3.47Å; F111-R114 WeakPolarHBondContact O-CG 3.46Å; F111-R114 PolarHBondContact O-N 2.85Å; A112-R114 VanDerWaalsContact C-N 3.25Å; R114-L134 WeakPolarHBondContact CA-O 3.47Å; R114-V136 HydrophobicContact CB-CB 4.3Å; R114-V136 HydrophobicContact CB-CG2 3.94Å
115G94Very high90.7Very high26 Ų2659.7 Ų59.727%0.26829%0.286SS..EExtended strand (participates in β ladder)trans126.7-158176.100000112.2L134G115-L134 PolarHBondContact N-O 3.26Å; G115-L134 PolarHBondContact O-N 3.46Å
116R94.7Very high90.4Very high162 Ų16259 Ų5961%0.61129%0.291SS*.EExtended strand (participates in β ladder)trans-103.7112-161.8-169.1166.272-120.3-3.7111.7S83 T131 V132S83-R116 WeakPolarHBondContact CA-O 3.46Å; R116-T131 HydrophobicContact CG-CG2 3.04Å; R116-V132 CarbonylContact C-O 3.52Å; R116-V132 WeakPolarHBondContact CA-O 3.31Å
117Y93.8Very high90.3Very high3 Ų362.2 Ų62.21%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-93.1138.8176.6-71.1-100.3000109.7I66 Y81 N82 L104 I106 D113 T131 V132 L134I66-Y117 HydrophobicContact CD1-CD1 4.38Å; I66-Y117 HydrophobicContact CD1-CD2 4.12Å; I66-Y117 HydrophobicContact CD1-CG 3.99Å; Y81-Y117 WeakPolarHBondContact O-CA 3.17Å; N82-Y117 HydrophobicContact CB-CD1 4.4Å; N82-Y117 HydrophobicContact CB-CE1 3.92Å; L104-Y117 HydrophobicContact CD2-CD1 3.65Å; L104-Y117 HydrophobicContact CD2-CE1 4.07Å; I106-Y117 HydrophobicContact CD1-CD1 4.37Å; I106-Y117 HydrophobicContact CD1-CE1 3.65Å; I106-Y117 HydrophobicContact CD1-CE2 4.4Å; D113-Y117 WeakPolarHBondContact O-CE2 3.35Å; D113-Y117 PolarHBondContact O-OH 3.49Å; Y117-T131 CarbonylContact O-C 3.57Å; Y117-T131 WeakPolarHBondContact O-CA 3.41Å; Y117-V132 PolarHBondContact N-O 3.05Å; Y117-V132 PolarHBondContact O-N 3.32Å; Y117-L134 HydrophobicContact CD2-CB 3.88Å; Y117-L134 HydrophobicContact CE2-CB 3.74Å; Y117-L134 HydrophobicContact CE2-CD2 3.75Å; Y117-L134 HydrophobicContact CE2-CG 4.41Å
118T93.1Very high90.2Very high27 Ų2763.4 Ų63.417%0.16632%0.315CS..EExtended strand (participates in β ladder)trans-127.3124.4-177.6-62.30000110.1Y81 F129 Y130 T131Y81-T118 PolarHBondContact N-O 3.43Å; Y81-T118 PolarHBondContact O-N 2.92Å; T118-F129 HydrophobicContact CG2-CB 4.21Å; T118-F129 HydrophobicContact CG2-CD1 4.03Å; T118-Y130 CarbonylContact C-O 3.59Å; T118-Y130 WeakPolarHBondContact CA-O 3.44Å; T118-T131 PolarHBondContact OG1-OG1 3.1Å; T118-T131 VanDerWaalsContact OG1-OG1 3.12Å
119C92.4Very high90.3Very high0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-90.9127.7167.21630000108.4C68 I78 L79 W80 F129 Y130C68-C119 HydrophobicContact CB-CB 3.68Å; C68-C119 WeakPolarHBondContact CB-SG 3.39Å; C68-C119 WeakPolarHBondContact SG-CB 3.35Å; C68-C119 CovalentContact SG-SG 2.04Å; C68-C119 PolarHBondContact SG-SG 3.35Å; I78-C119 WeakPolarHBondContact CG2-SG 3.3Å; L79-C119 CarbonylContact O-C 3.52Å; L79-C119 WeakPolarHBondContact O-CA 3.39Å; W80-C119 HydrophobicContact CD2-CB 4.17Å; W80-C119 HydrophobicContact CE3-CB 4.08Å; W80-C119 HydrophobicContact CH2-CB 3.81Å; W80-C119 HydrophobicContact CZ2-CB 3.9Å; W80-C119 HydrophobicContact CZ3-CB 3.9Å; C119-F129 CarbonylContact O-C 3.59Å; C119-F129 WeakPolarHBondContact O-CA 3.27Å; C119-Y130 PolarHBondContact N-O 3.33Å; C119-Y130 PolarHBondContact O-N 3.19Å
120A91.8Very high90.2Very high2 Ų263.6 Ų63.62%0.01732%0.315CS..EExtended strand (participates in β ladder)trans-110.8111.1171.600000108.9L79 Y81 T127 L128 F129L79-A120 HydrophobicContact CB-CB 4.33Å; L79-A120 PolarHBondContact N-O 3.46Å; L79-A120 PolarHBondContact O-N 2.74Å; Y81-A120 HydrophobicContact CD2-CB 4.42Å; Y81-A120 HydrophobicContact CE2-CB 3.83Å; A120-T127 HydrophobicContact CB-CG2 3.97Å; A120-L128 CarbonylContact C-O 3.57Å; A120-L128 WeakPolarHBondContact CA-O 3.42Å; A120-F129 HydrophobicContact CB-CD1 3.77Å; A120-F129 HydrophobicContact CB-CE1 3.7Å
121A91.7Very high90.3Very high0 Ų062.7 Ų62.70%031%0.312CS..EExtended strand (participates in β ladder)trans-92.6118.1174.600000108.7V70 Y75 I78 T127 L128V70-A121 HydrophobicContact CB-CB 4.41Å; V70-A121 HydrophobicContact CG1-CB 3.74Å; Y75-A121 VanDerWaalsContact CD1-C 3.48Å; Y75-A121 HydrophobicContact CD1-CB 3.62Å; Y75-A121 VanDerWaalsContact CD1-O 3.31Å; Y75-A121 WeakPolarHBondContact CD1-O 3.35Å; Y75-A121 HydrophobicContact CD2-CB 3.99Å; Y75-A121 HydrophobicContact CE1-CB 4.02Å; Y75-A121 HydrophobicContact CE2-CB 4.39Å; Y75-A121 HydrophobicContact CG-CB 3.61Å; I78-A121 HydrophobicContact CG1-CB 4.44Å; A121-T127 CarbonylContact O-C 3.56Å; A121-T127 WeakPolarHBondContact O-CA 3.38Å; A121-L128 PolarHBondContact N-O 3.29Å; A121-L128 PolarHBondContact O-N 3.46Å
122V89.5Confident90.5Very high20 Ų2059.2 Ų59.212%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-106.6132-173.4-1730000110.3E76 Y77 L79 T127E76-V122 PolarHBondContact N-O 3.24Å; Y77-V122 HydrophobicContact CD2-CB 4.07Å; Y77-V122 HydrophobicContact CD2-CG2 4.19Å; Y77-V122 HydrophobicContact CE1-CB 4.15Å; Y77-V122 HydrophobicContact CE1-CG1 4.15Å; Y77-V122 HydrophobicContact CE2-CB 3.58Å; Y77-V122 HydrophobicContact CE2-CG1 4.06Å; Y77-V122 HydrophobicContact CE2-CG2 3.6Å; Y77-V122 PolarHBondContact O-N 2.94Å; Y77-V122 WeakPolarHBondContact OH-CG1 3.43Å; L79-V122 HydrophobicContact CD1-CG2 4.34Å; V122-T127 HydrophobicContact CG2-CG2 3.93Å
123N88.8Confident90.7Very high48 Ų4858.3 Ų58.326%0.25729%0.286SS..EExtended strand (participates in β ladder)trans-129.2165171.5-172.16.2000109Q74 Y75 N125 G126Q74-N123 PolarHBondContact O-ND2 3.38Å; Y75-N123 HydrophobicContact CD1-CB 3.73Å; Y75-N123 HydrophobicContact CE1-CB 4.29Å; Y75-N123 HydrophobicContact CG-CB 4.46Å; N123-N125 PolarHBondContact O-N 2.93Å; N123-N125 VanDerWaalsContact O-N 3.08Å; N123-G126 PolarHBondContact N-O 3.34Å; N123-G126 PolarHBondContact O-N 3.35Å; N123-G126 VanDerWaalsContact O-N 3.08Å
124R85.2Confident90.9Very high208 Ų20857.6 Ų57.679%0.78528%0.283SS*.THydrogen-bonded Turntrans-52.2-30.9174.9-61.2-174.8-177.4-175.50113.4E76E76-R124 WeakPolarHBondContact OE1-CG 3.21Å; E76-R124 IonicContact OE1-CZ 3.44Å; E76-R124 IonicContact OE1-NE 2.72Å; E76-R124 PolarHBondContact OE1-NE 3.4Å; E76-R124 IonicContact OE1-NH2 3.31Å; E76-R124 PolarHBondContact OE1-NH2 2.85Å
125N82.9Confident90.9Very high151 Ų15156.5 Ų56.581%0.80728%0.279SS*.THydrogen-bonded Turntrans-94.3-9.4-175.5-65.475.9000113.7N123N123-N125 PolarHBondContact O-N 2.93Å; N123-N125 VanDerWaalsContact O-N 3.08Å
126G85.1Confident90.8Very high37 Ų3756 Ų5638%0.38127%0.27SS..EExtended strand (participates in β ladder)trans158.6178.8-177.800000114.4N123N123-G126 PolarHBondContact N-O 3.34Å; N123-G126 PolarHBondContact O-N 3.35Å; N123-G126 VanDerWaalsContact O-N 3.08Å
127T89Confident90.5Very high66 Ų6652.8 Ų52.841%0.40526%0.264SS..EExtended strand (participates in β ladder)trans-121.4130.5179.1-57.30000110.4A120 A121 V122 F129A120-T127 HydrophobicContact CB-CG2 3.97Å; A121-T127 CarbonylContact O-C 3.56Å; A121-T127 WeakPolarHBondContact O-CA 3.38Å; V122-T127 HydrophobicContact CG2-CG2 3.93Å; T127-F129 HydrophobicContact CG2-CD1 4.48Å; T127-F129 HydrophobicContact CG2-CE1 3.88Å; T127-F129 HydrophobicContact CG2-CE2 3.98Å; T127-F129 HydrophobicContact CG2-CZ 3.61Å
128L89.7Confident89.8Confident74 Ų7457.4 Ų57.439%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-103.7134.9173.9-171.688.9000109.9V70 Y75 A120 A121V70-L128 HydrophobicContact CB-CD2 4.19Å; V70-L128 HydrophobicContact CG1-CD2 3.56Å; V70-L128 HydrophobicContact CG2-CD2 3.56Å; Y75-L128 HydrophobicContact CE1-CB 3.88Å; A120-L128 CarbonylContact C-O 3.57Å; A120-L128 WeakPolarHBondContact CA-O 3.42Å; A121-L128 PolarHBondContact N-O 3.29Å; A121-L128 PolarHBondContact O-N 3.46Å
129F89.5Confident88.8Confident133 Ų13358.5 Ų58.558%0.58329%0.291SS*.EExtended strand (participates in β ladder)trans-108.3124.3178.1-59.4-81.8000111T118 C119 A120 T127T118-F129 HydrophobicContact CG2-CB 4.21Å; T118-F129 HydrophobicContact CG2-CD1 4.03Å; C119-F129 CarbonylContact O-C 3.59Å; C119-F129 WeakPolarHBondContact O-CA 3.27Å; A120-F129 HydrophobicContact CB-CD1 3.77Å; A120-F129 HydrophobicContact CB-CE1 3.7Å; T127-F129 HydrophobicContact CG2-CD1 4.48Å; T127-F129 HydrophobicContact CG2-CE1 3.88Å; T127-F129 HydrophobicContact CG2-CE2 3.98Å; T127-F129 HydrophobicContact CG2-CZ 3.61Å
130Y90.6Very high87.6Confident31 Ų3159.4 Ų59.412%0.12230%0.297CS..EExtended strand (participates in β ladder)trans-114.9130172.3178.6-104000109.5H54 E67 C68 K69 V70 T118 C119 V132H54-Y130 AromaticContact CD2-CE2 3.67Å; H54-Y130 AromaticContact CD2-CZ 3.62Å; H54-Y130 PolarHBondContact CD2-OH 3.23Å; H54-Y130 PolarHBondContact NE2-OH 3.21Å; E67-Y130 WeakPolarHBondContact O-CE1 3.29Å; C68-Y130 HydrophobicContact CB-CD1 4.42Å; K69-Y130 HydrophobicContact CB-CD2 4.48Å; K69-Y130 HydrophobicContact CB-CE1 4.35Å; K69-Y130 HydrophobicContact CB-CE2 3.9Å; K69-Y130 WeakPolarHBondContact CD-OH 3.44Å; K69-Y130 HydrophobicContact CG-CE1 4.4Å; K69-Y130 HydrophobicContact CG-CE2 4.42Å; V70-Y130 HydrophobicContact CG2-CG 4.41Å; T118-Y130 CarbonylContact C-O 3.59Å; T118-Y130 WeakPolarHBondContact CA-O 3.44Å; C119-Y130 PolarHBondContact N-O 3.33Å; C119-Y130 PolarHBondContact O-N 3.19Å; Y130-V132 HydrophobicContact CD1-CG2 3.95Å; Y130-V132 HydrophobicContact CE1-CG2 3.27Å
131T91.8Very high86.5Confident46 Ų4661.2 Ų61.228%0.28232%0.317SS..EExtended strand (participates in β ladder)trans-128.2134.1-168.7-62.40000111.6R116 Y117 T118R116-T131 HydrophobicContact CG-CG2 3.04Å; Y117-T131 CarbonylContact O-C 3.57Å; Y117-T131 WeakPolarHBondContact O-CA 3.41Å; T118-T131 PolarHBondContact OG1-OG1 3.1Å; T118-T131 VanDerWaalsContact OG1-OG1 3.12Å
132V93Very high85.3Confident3 Ų368 Ų682%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-130.3138.4-176.5-178.60000109.3H54 I56 I66 R116 Y117 Y130H54-V132 HydrophobicContact CB-CG1 4.46Å; H54-V132 HydrophobicContact CB-CG2 4.36Å; H54-V132 VanDerWaalsContact O-CG1 3.29Å; H54-V132 WeakPolarHBondContact O-CG1 3.4Å; I56-V132 HydrophobicContact CD1-CG1 3.59Å; I56-V132 HydrophobicContact CG1-CG1 3.73Å; I66-V132 HydrophobicContact CG2-CB 4Å; I66-V132 HydrophobicContact CG2-CG1 4.01Å; I66-V132 HydrophobicContact CG2-CG2 3.99Å; R116-V132 CarbonylContact C-O 3.52Å; R116-V132 WeakPolarHBondContact CA-O 3.31Å; Y117-V132 PolarHBondContact N-O 3.05Å; Y117-V132 PolarHBondContact O-N 3.32Å; Y130-V132 HydrophobicContact CD1-CG2 3.95Å; Y130-V132 HydrophobicContact CE1-CG2 3.27Å
133T93.9Very high84.7Confident26 Ų2671.8 Ų71.816%0.1637%0.37CS..EExtended strand (participates in β ladder)trans-98.5117.9175.3-520000109.9H54 D55 I56H54-T133 PolarHBondContact O-N 3.38Å; D55-T133 WeakPolarHBondContact CA-O 3.37Å; D55-T133 VanDerWaalsContact OD1-CB 3.28Å; D55-T133 WeakPolarHBondContact OD1-CB 3.37Å; I56-T133 PolarHBondContact N-O 2.83Å
134L94Very high84.2Confident2 Ų271.7 Ų71.71%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-87114.9170.9-176.464.2000109.7I56 A58 V64 I106 V109 R114 G115 Y117 V136I56-L134 HydrophobicContact CB-CD1 4.35Å; I56-L134 HydrophobicContact CG2-CD1 4.22Å; A58-L134 HydrophobicContact CB-CD1 3.91Å; V64-L134 HydrophobicContact CG1-CD1 4.14Å; V64-L134 HydrophobicContact CG1-CD2 4.38Å; V64-L134 HydrophobicContact CG2-CD1 4.21Å; I106-L134 HydrophobicContact CD1-CD2 4.21Å; V109-L134 HydrophobicContact CG1-CD2 4.36Å; R114-L134 WeakPolarHBondContact CA-O 3.47Å; G115-L134 PolarHBondContact N-O 3.26Å; G115-L134 PolarHBondContact O-N 3.46Å; Y117-L134 HydrophobicContact CD2-CB 3.88Å; Y117-L134 HydrophobicContact CE2-CB 3.74Å; Y117-L134 HydrophobicContact CE2-CD2 3.75Å; Y117-L134 HydrophobicContact CE2-CG 4.41Å; L134-V136 HydrophobicContact CD2-CG2 4.24Å; L134-V136 HydrophobicContact CG-CG2 4.09Å
135R93.5Very high84.1Confident122 Ų12266.5 Ų66.546%0.4636%0.361SS..EExtended strand (participates in β ladder)trans-95.7128.8168.2-63.3-177.2-175.2-96.5-0.7108.5D55 I56 I57 A58D55-R135 IonicContact OD2-CZ 3.78Å; D55-R135 VanDerWaalsContact OD2-CZ 3.23Å; D55-R135 IonicContact OD2-NE 3.91Å; D55-R135 PolarHBondContact OD2-NE 3.39Å; D55-R135 IonicContact OD2-NH2 2.81Å; D55-R135 PolarHBondContact OD2-NH2 3.49Å; I56-R135 PolarHBondContact O-N 2.82Å; I57-R135 CarbonylContact C-O 3.56Å; I57-R135 WeakPolarHBondContact CA-O 3.44Å; I57-R135 HydrophobicContact CG1-CB 4.25Å; A58-R135 PolarHBondContact N-O 3.4Å
136V92.4Very high84.3Confident15 Ų1566 Ų669%0.09135%0.348CS..EExtended strand (participates in β ladder)trans-110.4120.9178.1-174.60000109.1A58 E60 V109 R114 L134 F138A58-V136 CarbonylContact O-C 3.53Å; A58-V136 VanDerWaalsContact O-CA 3.28Å; A58-V136 WeakPolarHBondContact O-CA 3.21Å; E60-V136 HydrophobicContact CB-CG1 4.29Å; V109-V136 HydrophobicContact CG1-CB 4.36Å; V109-V136 HydrophobicContact CG1-CG1 3.86Å; V109-V136 HydrophobicContact CG1-CG2 3.51Å; R114-V136 HydrophobicContact CB-CB 4.3Å; R114-V136 HydrophobicContact CB-CG2 3.94Å; L134-V136 HydrophobicContact CD2-CG2 4.24Å; L134-V136 HydrophobicContact CG-CG2 4.09Å; V136-F138 PolarHBondContact O-N 2.9Å
137I88.4Confident84.4Confident95 Ų9570.6 Ų70.649%0.48736%0.355SS..EExtended strand (participates in β ladder)trans-81.5113.4170-58.6174.9000106.8I57 A58 E60 T139I57-I137 HydrophobicContact CG2-CD1 3.43Å; I57-I137 VanDerWaalsContact CG2-CD1 3.43Å; I57-I137 HydrophobicContact CG2-CG1 3.7Å; A58-I137 PolarHBondContact O-N 2.89Å; E60-I137 PolarHBondContact N-O 3.3Å; I137-T139 HydrophobicContact CG2-CG2 4.16Å; I137-T139 PolarHBondContact O-N 2.94Å
138F80.4Confident84.3Confident100 Ų10073.3 Ų73.344%0.43937%0.365SS..  trans-66.7124.1175.9-172.7-119.4000109.4E60 F111 V136 S140E60-F138 WeakPolarHBondContact OE1-CE2 3.36Å; E60-F138 WeakPolarHBondContact OE2-CD2 3.31Å; E60-F138 VanDerWaalsContact OE2-CE2 3.3Å; E60-F138 WeakPolarHBondContact OE2-CE2 3.4Å; F111-F138 HydrophobicContact CB-CD2 4Å; F111-F138 HydrophobicContact CD2-CB 3.95Å; F111-F138 HydrophobicContact CD2-CD2 4.26Å; F111-F138 HydrophobicContact CD2-CG 4.46Å; F111-F138 HydrophobicContact CE2-CB 4.31Å; F111-F138 HydrophobicContact CG-CD2 4.22Å; V136-F138 PolarHBondContact O-N 2.9Å; F138-S140 VanDerWaalsContact CE1-CB 3.48Å; F138-S140 WeakPolarHBondContact CE1-OG 3.48Å; F138-S140 WeakPolarHBondContact CZ-OG 3.36Å
139T71.9Confident84.4Confident49 Ų4974.3 Ų74.330%0.30137%0.369SS..  trans-131.860176.559.30000108.7K59 E60 I137 G141K59-T139 HydrophobicContact CD-CG2 3.77Å; K59-T139 VanDerWaalsContact CE-CG2 3.48Å; K59-T139 WeakPolarHBondContact CE-OG1 3.43Å; K59-T139 HydrophobicContact CG-CG2 3.63Å; K59-T139 WeakPolarHBondContact CG-OG1 3.27Å; E60-T139 PolarHBondContact OE2-N 3.41Å; I137-T139 HydrophobicContact CG2-CG2 4.16Å; I137-T139 PolarHBondContact O-N 2.94Å; T139-G141 PolarHBondContact O-N 3.42Å
140S67.4Low84.5Confident19 Ų1971.1 Ų71.113%0.13336%0.361CS..  trans-70.684.6161.767.10000107.8F138 D142 M143 S144F138-S140 VanDerWaalsContact CE1-CB 3.48Å; F138-S140 WeakPolarHBondContact CE1-OG 3.48Å; F138-S140 WeakPolarHBondContact CZ-OG 3.36Å; S140-D142 PolarHBondContact O-N 3.47Å; S140-M143 PolarHBondContact O-N 2.79Å; S140-S144 WeakPolarHBondContact O-CB 3.44Å; S140-S144 PolarHBondContact O-N 3.4Å; S140-S144 PolarHBondContact O-OG 2.95Å; S140-S144 PolarHBondContact OG-N 3.48Å; S140-S144 VanDerWaalsContact OG-N 3.14Å; S140-S144 PolarHBondContact OG-OG 2.87Å
141G67.3Low84.6Confident41 Ų4172.7 Ų72.742%0.42338%0.375SS..THydrogen-bonded Turntrans-49-30.3179.200000112T139 I145T139-G141 PolarHBondContact O-N 3.42Å; G141-I145 WeakPolarHBondContact O-CB 3.26Å; G141-I145 WeakPolarHBondContact O-CD1 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.38Å
142D66.7Low84.7Confident141 Ų14176 Ų7675%0.75439%0.391SS*.THydrogen-bonded Turntrans-100.6-42.4-175.5-52-38000113.2S140 Y146S140-D142 PolarHBondContact O-N 3.47Å; D142-Y146 VanDerWaalsContact O-CB 3.3Å; D142-Y146 WeakPolarHBondContact O-CB 3.37Å; D142-Y146 PolarHBondContact O-N 3.3Å
143M77.2Confident84.8Confident100 Ų10079.6 Ų79.649%0.49341%0.412SS..Hα-helixtrans-72.7-42-178.1-60.8-60-67.800112S140 I145 Y146 Y147S140-M143 PolarHBondContact O-N 2.79Å; M143-I145 VanDerWaalsContact C-N 3.34Å; M143-I145 PolarHBondContact O-N 2.94Å; M143-Y146 WeakPolarHBondContact O-CB 3.39Å; M143-Y146 PolarHBondContact O-N 3.24Å; M143-Y147 HydrophobicContact CB-CE2 4.35Å; M143-Y147 HydrophobicContact CE-CE2 4.11Å; M143-Y147 WeakPolarHBondContact O-CD2 3.3Å; M143-Y147 PolarHBondContact O-N 2.96Å
144S79.4Confident84.9Confident47 Ų4780.7 Ų80.733%0.32942%0.424SS..Hα-helixtrans-64.4-41.3177.1-600000111.1S140 Y147 M148S140-S144 WeakPolarHBondContact O-CB 3.44Å; S140-S144 PolarHBondContact O-N 3.4Å; S140-S144 PolarHBondContact O-OG 2.95Å; S140-S144 PolarHBondContact OG-N 3.48Å; S140-S144 VanDerWaalsContact OG-N 3.14Å; S140-S144 PolarHBondContact OG-OG 2.87Å; S144-Y147 PolarHBondContact O-N 3.46Å; S144-M148 WeakPolarHBondContact O-CB 3.03Å; S144-M148 WeakPolarHBondContact O-CG 2.96Å; S144-M148 PolarHBondContact O-N 3.23Å
145I82.4Confident85Confident99 Ų9987.7 Ų87.751%0.50846%0.455SS..Hα-helixtrans-65.6-41.3176.6-66.3-177.5000110.5G141 M143 Y147 M148 I149G141-I145 WeakPolarHBondContact O-CB 3.26Å; G141-I145 WeakPolarHBondContact O-CD1 3.46Å; G141-I145 WeakPolarHBondContact O-CG1 3.38Å; M143-I145 VanDerWaalsContact C-N 3.34Å; M143-I145 PolarHBondContact O-N 2.94Å; I145-Y147 PolarHBondContact O-N 3.29Å; I145-M148 PolarHBondContact O-N 2.91Å; I145-I149 HydrophobicContact CG2-CD1 3.72Å; I145-I149 HydrophobicContact CG2-CG1 4.29Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.38Å; I145-I149 PolarHBondContact O-N 3.14Å
146Y87Confident85Confident139 Ų13984.2 Ų84.255%0.54545%0.452SS..Hα-helixtrans-55.6-51.4174.5175.7-97000112.1D142 M143 M148 I149 V150D142-Y146 VanDerWaalsContact O-CB 3.3Å; D142-Y146 WeakPolarHBondContact O-CB 3.37Å; D142-Y146 PolarHBondContact O-N 3.3Å; M143-Y146 WeakPolarHBondContact O-CB 3.39Å; M143-Y146 PolarHBondContact O-N 3.24Å; Y146-M148 VanDerWaalsContact C-N 3.33Å; Y146-M148 PolarHBondContact O-N 2.83Å; Y146-I149 PolarHBondContact O-N 2.94Å; Y146-V150 HydrophobicContact CD1-CG2 4.3Å; Y146-V150 HydrophobicContact CE1-CG2 3.92Å; Y146-V150 HydrophobicContact CE2-CG2 4.18Å; Y146-V150 VanDerWaalsContact O-CG2 3.31Å; Y146-V150 WeakPolarHBondContact O-CG2 3.18Å; Y146-V150 PolarHBondContact O-N 2.93Å
147Y86.9Confident85.1Confident135 Ų13587.9 Ų87.953%0.52947%0.47SS..Hα-helixtrans-64.5-36.5178-68.3-64.9000112.6M143 S144 I145 V150 C151M143-Y147 HydrophobicContact CB-CE2 4.35Å; M143-Y147 HydrophobicContact CE-CE2 4.11Å; M143-Y147 WeakPolarHBondContact O-CD2 3.3Å; M143-Y147 PolarHBondContact O-N 2.96Å; S144-Y147 PolarHBondContact O-N 3.46Å; I145-Y147 PolarHBondContact O-N 3.29Å; Y147-V150 PolarHBondContact O-N 3.43Å; Y147-C151 WeakPolarHBondContact O-CB 2.97Å; Y147-C151 PolarHBondContact O-N 3.26Å; Y147-C151 PolarHBondContact O-SG 3.4Å
148M87.9Confident85.3Confident123 Ų12386.7 Ų86.761%0.60647%0.468SS*.Hα-helixtrans-62.1-45174.8-71.6-65.4-73.100111.6S144 I145 Y146 C151 L152S144-M148 WeakPolarHBondContact O-CB 3.03Å; S144-M148 WeakPolarHBondContact O-CG 2.96Å; S144-M148 PolarHBondContact O-N 3.23Å; I145-M148 PolarHBondContact O-N 2.91Å; Y146-M148 VanDerWaalsContact C-N 3.33Å; Y146-M148 PolarHBondContact O-N 2.83Å; M148-C151 PolarHBondContact O-N 2.93Å; M148-L152 VanDerWaalsContact O-CG 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.27Å; M148-L152 PolarHBondContact O-N 2.84Å
149I90Very high85.8Confident95 Ų9587.1 Ų87.149%0.48747%0.474SS..Hα-helixtrans-63.4-46.6177-66.2166.5000110.5I145 Y146 C151 L152 V153I145-I149 HydrophobicContact CG2-CD1 3.72Å; I145-I149 HydrophobicContact CG2-CG1 4.29Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.38Å; I145-I149 PolarHBondContact O-N 3.14Å; Y146-I149 PolarHBondContact O-N 2.94Å; I149-C151 VanDerWaalsContact C-N 3.32Å; I149-C151 PolarHBondContact O-N 3.29Å; I149-L152 PolarHBondContact O-N 3.37Å; I149-V153 HydrophobicContact CG2-CG2 4.37Å; I149-V153 WeakPolarHBondContact O-CG2 3.11Å; I149-V153 PolarHBondContact O-N 2.84Å
150V92.6Very high86.7Confident66 Ų6689.7 Ų89.740%0.449%0.485SS..Hα-helixtrans-58.2-45.2177.6171.20000111Y146 Y147 V153 A154Y146-V150 HydrophobicContact CD1-CG2 4.3Å; Y146-V150 HydrophobicContact CE1-CG2 3.92Å; Y146-V150 HydrophobicContact CE2-CG2 4.18Å; Y146-V150 VanDerWaalsContact O-CG2 3.31Å; Y146-V150 WeakPolarHBondContact O-CG2 3.18Å; Y146-V150 PolarHBondContact O-N 2.93Å; Y147-V150 PolarHBondContact O-N 3.43Å; V150-V153 PolarHBondContact O-N 3.18Å; V150-A154 WeakPolarHBondContact O-CB 3.48Å; V150-A154 PolarHBondContact O-N 2.93Å
151C93.3Very high87.7Confident63 Ų6393.2 Ų93.243%0.42650%0.501SS..Hα-helixtrans-59.5-47.7175.2-73.80000111.7Y147 M148 I149 V153 A154 F155Y147-C151 WeakPolarHBondContact O-CB 2.97Å; Y147-C151 PolarHBondContact O-N 3.26Å; Y147-C151 PolarHBondContact O-SG 3.4Å; M148-C151 PolarHBondContact O-N 2.93Å; I149-C151 VanDerWaalsContact C-N 3.32Å; I149-C151 PolarHBondContact O-N 3.29Å; C151-V153 VanDerWaalsContact C-N 3.35Å; C151-V153 PolarHBondContact O-N 3.26Å; C151-A154 PolarHBondContact O-N 3.23Å; C151-F155 HydrophobicContact CB-CD2 4.49Å; C151-F155 WeakPolarHBondContact O-CD2 3.31Å; C151-F155 PolarHBondContact O-N 3.06Å
152L93.2Very high88.5Confident116 Ų11695.4 Ų95.461%0.60750%0.504SS*.Hα-helixtrans-60.6-43.2179.5-71.9173.4000112.2M148 I149 F155 A156M148-L152 VanDerWaalsContact O-CG 3.27Å; M148-L152 WeakPolarHBondContact O-CG 3.27Å; M148-L152 PolarHBondContact O-N 2.84Å; I149-L152 PolarHBondContact O-N 3.37Å; L152-F155 PolarHBondContact O-N 2.96Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 3.3Å
153V95.7Very high89.8Confident78 Ų7892.9 Ų92.947%0.47349%0.489SS..Hα-helixtrans-63.3-45176.3173.20000110.6I149 V150 C151 F155 A156 I157I149-V153 HydrophobicContact CG2-CG2 4.37Å; I149-V153 WeakPolarHBondContact O-CG2 3.11Å; I149-V153 PolarHBondContact O-N 2.84Å; V150-V153 PolarHBondContact O-N 3.18Å; C151-V153 VanDerWaalsContact C-N 3.35Å; C151-V153 PolarHBondContact O-N 3.26Å; V153-F155 PolarHBondContact O-N 3.22Å; V153-A156 PolarHBondContact O-N 3.03Å; V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.18Å; V153-I157 PolarHBondContact O-N 3.18Å
154A95.1Very high90.2Very high49 Ų4991.6 Ų91.641%0.40549%0.487SS..Hα-helixtrans-62.3-42.5177.700000112.4V150 C151 I157 T158V150-A154 WeakPolarHBondContact O-CB 3.48Å; V150-A154 PolarHBondContact O-N 2.93Å; C151-A154 PolarHBondContact O-N 3.23Å; A154-I157 PolarHBondContact O-N 3.35Å; A154-T158 WeakPolarHBondContact O-CB 3.44Å; A154-T158 PolarHBondContact O-N 3.2Å; A154-T158 PolarHBondContact O-OG1 2.9Å
155F95.6Very high90.7Very high150 Ų15098.6 Ų98.666%0.65851%0.506SS*.Hα-helixtrans-63.2-43.5174.9-83.6-65.6000111.9C151 L152 V153 T158 L159C151-F155 HydrophobicContact CB-CD2 4.49Å; C151-F155 WeakPolarHBondContact O-CD2 3.31Å; C151-F155 PolarHBondContact O-N 3.06Å; L152-F155 PolarHBondContact O-N 2.96Å; V153-F155 PolarHBondContact O-N 3.22Å; F155-T158 PolarHBondContact O-N 3.45Å; F155-L159 WeakPolarHBondContact O-CB 3.27Å; F155-L159 PolarHBondContact O-N 3.43Å
156A94.1Very high90.9Very high49 Ų4999.9 Ų99.941%0.40551%0.513SS..Hα-helixtrans-61.6-46177.400000111.7L152 V153 T158 L159 I160L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 3.3Å; V153-A156 PolarHBondContact O-N 3.03Å; A156-T158 VanDerWaalsContact C-N 3.34Å; A156-T158 PolarHBondContact O-N 3.22Å; A156-L159 PolarHBondContact O-N 3.27Å; A156-I160 WeakPolarHBondContact O-CD1 3.2Å; A156-I160 VanDerWaalsContact O-CG1 3.25Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 3.42Å
157I94.2Very high90.8Very high91 Ų9196.5 Ų96.547%0.46751%0.509SS..Hα-helixtrans-59.6-47.5175.5-67.4166.3000110.1V153 A154 L159 I160 L161V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.18Å; V153-I157 PolarHBondContact O-N 3.18Å; A154-I157 PolarHBondContact O-N 3.35Å; I157-L159 VanDerWaalsContact C-N 3.32Å; I157-L159 PolarHBondContact O-N 3.48Å; I157-I160 PolarHBondContact O-N 3.03Å; I157-L161 HydrophobicContact CG2-CD1 3.87Å; I157-L161 HydrophobicContact CG2-CG 4.27Å; I157-L161 WeakPolarHBondContact O-CB 3.06Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 3.41Å
158T92.9Very high90.7Very high71 Ų7196.6 Ų96.644%0.43652%0.516SS..Hα-helixtrans-60.5-42.1179.2-58.40000111.6A154 F155 A156 L161 N162A154-T158 WeakPolarHBondContact O-CB 3.44Å; A154-T158 PolarHBondContact O-N 3.2Å; A154-T158 PolarHBondContact O-OG1 2.9Å; F155-T158 PolarHBondContact O-N 3.45Å; A156-T158 VanDerWaalsContact C-N 3.34Å; A156-T158 PolarHBondContact O-N 3.22Å; T158-L161 PolarHBondContact O-N 2.99Å; T158-N162 WeakPolarHBondContact CG2-ND2 3.34Å; T158-N162 WeakPolarHBondContact O-CB 2.82Å; T158-N162 PolarHBondContact O-N 2.9Å; T158-N162 PolarHBondContact O-ND2 3.47Å
159L91.1Very high90.8Very high108 Ų10896.2 Ų96.257%0.56552%0.515SS*.Hα-helixtrans-63.1-47.8176.6-179.364.1000111.1F155 A156 I157 L161 N162 I163F155-L159 WeakPolarHBondContact O-CB 3.27Å; F155-L159 PolarHBondContact O-N 3.43Å; A156-L159 PolarHBondContact O-N 3.27Å; I157-L159 VanDerWaalsContact C-N 3.32Å; I157-L159 PolarHBondContact O-N 3.48Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 2.92Å; L159-N162 PolarHBondContact O-N 2.97Å; L159-I163 HydrophobicContact CD1-CD1 4.01Å; L159-I163 HydrophobicContact CD1-CG1 4.27Å; L159-I163 HydrophobicContact CD2-CD1 4.48Å; L159-I163 HydrophobicContact CG-CD1 3.8Å; L159-I163 HydrophobicContact CG-CG1 4.44Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.03Å; L159-I163 PolarHBondContact O-N 2.96Å
160I91.6Very high90.3Very high103 Ų10394.6 Ų94.653%0.52851%0.511SS..Hα-helixtrans-60.4-44.4178.4-67.8164000110.8A156 I157 I163 T164A156-I160 WeakPolarHBondContact O-CD1 3.2Å; A156-I160 VanDerWaalsContact O-CG1 3.25Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 3.42Å; I157-I160 PolarHBondContact O-N 3.03Å; I160-I163 PolarHBondContact O-N 3.4Å; I160-T164 WeakPolarHBondContact O-CB 3.48Å; I160-T164 PolarHBondContact O-N 3.35Å; I160-T164 PolarHBondContact O-OG1 3.35Å
161L87.4Confident90.2Very high93 Ų9393.5 Ų93.549%0.48751%0.507SS..Hα-helixtrans-63.1-42.3177.2-69.5176.2000111.6I157 T158 L159 T164 R165I157-L161 HydrophobicContact CG2-CD1 3.87Å; I157-L161 HydrophobicContact CG2-CG 4.27Å; I157-L161 WeakPolarHBondContact O-CB 3.06Å; I157-L161 VanDerWaalsContact O-CG 3.27Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 3.41Å; T158-L161 PolarHBondContact O-N 2.99Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 2.92Å; L161-T164 PolarHBondContact O-N 2.91Å; L161-R165 WeakPolarHBondContact O-CB 3.32Å; L161-R165 PolarHBondContact O-N 3.23Å
162N84.8Confident89.4Confident88 Ų8896 Ų9647%0.47151%0.512SS..Hα-helixtrans-66.3-43.7177.1-81.4-58.1000112.5T158 L159 T164 R165 L166T158-N162 WeakPolarHBondContact CG2-ND2 3.34Å; T158-N162 WeakPolarHBondContact O-CB 2.82Å; T158-N162 PolarHBondContact O-N 2.9Å; T158-N162 PolarHBondContact O-ND2 3.47Å; L159-N162 PolarHBondContact O-N 2.97Å; N162-T164 VanDerWaalsContact C-N 3.35Å; N162-R165 PolarHBondContact O-N 2.82Å; N162-L166 WeakPolarHBondContact O-CB 3.49Å; N162-L166 PolarHBondContact O-N 3.06Å
163I92.8Very high88.6Confident87 Ų8795 Ų9545%0.44651%0.507SS..Hα-helixtrans-59.8-48174.3-68.5167.3000109.6L159 I160 R165 L166 C167L159-I163 HydrophobicContact CD1-CD1 4.01Å; L159-I163 HydrophobicContact CD1-CG1 4.27Å; L159-I163 HydrophobicContact CD2-CD1 4.48Å; L159-I163 HydrophobicContact CG-CD1 3.8Å; L159-I163 HydrophobicContact CG-CG1 4.44Å; L159-I163 VanDerWaalsContact O-CG1 3.27Å; L159-I163 WeakPolarHBondContact O-CG1 3.03Å; L159-I163 PolarHBondContact O-N 2.96Å; I160-I163 PolarHBondContact O-N 3.4Å; I163-R165 VanDerWaalsContact C-N 3.31Å; I163-R165 PolarHBondContact O-N 3.14Å; I163-L166 WeakPolarHBondContact O-CB 3.3Å; I163-L166 PolarHBondContact O-N 3.36Å; I163-L166 VanDerWaalsContact O-N 3.14Å; I163-C167 WeakPolarHBondContact O-CB 3.39Å; I163-C167 PolarHBondContact O-N 2.79Å; I163-C167 PolarHBondContact O-SG 2.78Å
164T87Confident87.8Confident74 Ų74100 Ų10045%0.45452%0.517SS..Hα-helixtrans-59.7-42.4179.2-55.80000111.3I160 L161 N162 C167 M168I160-T164 WeakPolarHBondContact O-CB 3.48Å; I160-T164 PolarHBondContact O-N 3.35Å; I160-T164 PolarHBondContact O-OG1 3.35Å; L161-T164 PolarHBondContact O-N 2.91Å; N162-T164 VanDerWaalsContact C-N 3.35Å; T164-C167 PolarHBondContact O-N 3.14Å; T164-M168 WeakPolarHBondContact O-CB 3.31Å; T164-M168 VanDerWaalsContact O-CG 3.27Å; T164-M168 WeakPolarHBondContact O-CG 3.09Å; T164-M168 PolarHBondContact O-N 2.86Å
165R88.9Confident87.5Confident194 Ų194104.4 Ų104.473%0.73253%0.527SS*.Hα-helixtrans-62.9-43.4176-171.8179.8-174.5-168.91.9111.8L161 N162 I163 M168 M169L161-R165 WeakPolarHBondContact O-CB 3.32Å; L161-R165 PolarHBondContact O-N 3.23Å; N162-R165 PolarHBondContact O-N 2.82Å; I163-R165 VanDerWaalsContact C-N 3.31Å; I163-R165 PolarHBondContact O-N 3.14Å; R165-M168 PolarHBondContact O-N 2.87Å; R165-M169 PolarHBondContact O-N 3.34Å
166L87.3Confident86.7Confident125 Ų12599.7 Ų99.765%0.65451%0.511SS*.Hα-helixtrans-63-43.9176.3-175.264.9000111.2N162 I163 M168 M169 S170N162-L166 WeakPolarHBondContact O-CB 3.49Å; N162-L166 PolarHBondContact O-N 3.06Å; I163-L166 WeakPolarHBondContact O-CB 3.3Å; I163-L166 PolarHBondContact O-N 3.36Å; I163-L166 VanDerWaalsContact O-N 3.14Å; L166-M168 PolarHBondContact O-N 3.02Å; L166-M169 PolarHBondContact O-N 3.33Å; L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 3.15Å; L166-S170 PolarHBondContact O-OG 2.69Å
167C85.2Confident86.3Confident68 Ų68103.6 Ų103.646%0.45952%0.521SS..Hα-helixtrans-64-38.8176.8-67.60000112.7I163 T164 S170 S171I163-C167 WeakPolarHBondContact O-CB 3.39Å; I163-C167 PolarHBondContact O-N 2.79Å; I163-C167 PolarHBondContact O-SG 2.78Å; T164-C167 PolarHBondContact O-N 3.14Å; C167-S170 WeakPolarHBondContact CA-OG 3.23Å; C167-S170 PolarHBondContact O-OG 2.85Å; C167-S170 VanDerWaalsContact O-OG 3.09Å; C167-S171 WeakPolarHBondContact O-CB 3.39Å; C167-S171 PolarHBondContact O-N 3.44Å
168M85.3Confident85.9Confident138 Ų138107.1 Ų107.168%0.6853%0.533SS*.Hα-helixtrans-65.7-43.2175.4-74-71-74.700111.4T164 R165 L166 H172T164-M168 WeakPolarHBondContact O-CB 3.31Å; T164-M168 VanDerWaalsContact O-CG 3.27Å; T164-M168 WeakPolarHBondContact O-CG 3.09Å; T164-M168 PolarHBondContact O-N 2.86Å; R165-M168 PolarHBondContact O-N 2.87Å; L166-M168 PolarHBondContact O-N 3.02Å; M168-H172 PolarHBondContact O-N 3.42Å; M168-H172 VanDerWaalsContact O-N 3.13Å
169M88.4Confident85.4Confident115 Ų115106.7 Ų106.757%0.56754%0.537SS*.Hα-helixtrans-66.7-47176.7-174.76384.200111.5R165 L166 S171 H172 L173R165-M169 PolarHBondContact O-N 3.34Å; L166-M169 PolarHBondContact O-N 3.33Å; M169-S171 VanDerWaalsContact C-N 3.27Å; M169-S171 PolarHBondContact O-N 3.1Å; M169-H172 WeakPolarHBondContact O-CB 3.35Å; M169-H172 PolarHBondContact O-N 3.48Å; M169-H172 VanDerWaalsContact O-N 3.08Å; M169-L173 HydrophobicContact CG-CD1 4.32Å; M169-L173 WeakPolarHBondContact O-CG 3.36Å; M169-L173 PolarHBondContact O-N 3.36Å
170S80.8Confident84.8Confident60 Ų60106.1 Ų106.142%0.4253%0.533SS..Hα-helixtrans-63.7-33.9178.768.30000112L166 C167 L173 R174L166-S170 WeakPolarHBondContact O-CB 3.4Å; L166-S170 PolarHBondContact O-N 3.15Å; L166-S170 PolarHBondContact O-OG 2.69Å; C167-S170 WeakPolarHBondContact CA-OG 3.23Å; C167-S170 PolarHBondContact O-OG 2.85Å; C167-S170 VanDerWaalsContact O-OG 3.09Å; S170-L173 PolarHBondContact O-N 2.84Å; S170-R174 WeakPolarHBondContact O-CB 3.42Å; S170-R174 PolarHBondContact O-N 2.82Å
171S88.9Confident84.2Confident44 Ų44106.3 Ų106.331%0.30854%0.535SS..Hα-helixtrans-63-42.9171.5-177.40000112C167 M169 R174 K175C167-S171 WeakPolarHBondContact O-CB 3.39Å; C167-S171 PolarHBondContact O-N 3.44Å; M169-S171 VanDerWaalsContact C-N 3.27Å; M169-S171 PolarHBondContact O-N 3.1Å; S171-R174 PolarHBondContact O-N 3.35Å; S171-K175 WeakPolarHBondContact O-CG 3.28Å; S171-K175 PolarHBondContact O-N 2.86Å
172H77.5Confident83.8Confident114 Ų114105.7 Ų105.753%0.52853%0.53SS..Hα-helixtrans-65.2-43175-167.3-85.4000111.5M168 M169 R174 K175 T176M168-H172 PolarHBondContact O-N 3.42Å; M168-H172 VanDerWaalsContact O-N 3.13Å; M169-H172 WeakPolarHBondContact O-CB 3.35Å; M169-H172 PolarHBondContact O-N 3.48Å; M169-H172 VanDerWaalsContact O-N 3.08Å; H172-R174 PolarHBondContact O-N 3.14Å; H172-K175 WeakPolarHBondContact O-CB 3.45Å; H172-K175 PolarHBondContact O-N 2.91Å; H172-T176 WeakPolarHBondContact O-CG2 3.35Å; H172-T176 PolarHBondContact O-N 3.31Å; H172-T176 PolarHBondContact O-OG1 3.48Å
173L75.6Confident83.2Confident97 Ų97106.2 Ų106.251%0.50853%0.528SS..Hα-helixtrans-61.6-42.5176.6-68.9177.2000111.9M169 S170 K175 T176 E177M169-L173 HydrophobicContact CG-CD1 4.32Å; M169-L173 WeakPolarHBondContact O-CG 3.36Å; M169-L173 PolarHBondContact O-N 3.36Å; S170-L173 PolarHBondContact O-N 2.84Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.81Å; L173-T176 VanDerWaalsContact CA-OG1 3.28Å; L173-T176 WeakPolarHBondContact CA-OG1 3.36Å; L173-T176 CarbonylContact O-C 3.55Å; L173-T176 PolarHBondContact O-N 2.76Å; L173-T176 VanDerWaalsContact O-N 3.14Å; L173-T176 PolarHBondContact O-OG1 3.37Å; L173-E177 WeakPolarHBondContact O-CB 3.33Å; L173-E177 PolarHBondContact O-N 3.12Å
174R80.6Confident82.1Confident181 Ų181107.5 Ų107.568%0.68353%0.531SS*.Hα-helixtrans-64.6-35.6175.4-167.9172.869.8154.31.1112.2S170 S171 H172 K178S170-R174 WeakPolarHBondContact O-CB 3.42Å; S170-R174 PolarHBondContact O-N 2.82Å; S171-R174 PolarHBondContact O-N 3.35Å; H172-R174 PolarHBondContact O-N 3.14Å; R174-K178 WeakPolarHBondContact O-CB 3.28Å; R174-K178 PolarHBondContact O-N 3.34Å
175K87.3Confident81.3Confident142 Ų142112.3 Ų112.362%0.61754%0.54SS*.Hα-helixtrans-65.2-42.5171.5-72.6174-176-179.30111.3S171 H172 L173 K178 A179S171-K175 WeakPolarHBondContact O-CG 3.28Å; S171-K175 PolarHBondContact O-N 2.86Å; H172-K175 WeakPolarHBondContact O-CB 3.45Å; H172-K175 PolarHBondContact O-N 2.91Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.81Å; K175-K178 PolarHBondContact O-N 3.41Å; K175-A179 WeakPolarHBondContact O-CB 3.37Å; K175-A179 PolarHBondContact O-N 3.34Å
176T80.4Confident80.3Confident51 Ų51107.1 Ų107.131%0.31353%0.53SS..Hα-helixtrans-67.8-39.3176.854.50000112.2H172 L173 A179 I180H172-T176 WeakPolarHBondContact O-CG2 3.35Å; H172-T176 PolarHBondContact O-N 3.31Å; H172-T176 PolarHBondContact O-OG1 3.48Å; L173-T176 VanDerWaalsContact CA-OG1 3.28Å; L173-T176 WeakPolarHBondContact CA-OG1 3.36Å; L173-T176 CarbonylContact O-C 3.55Å; L173-T176 PolarHBondContact O-N 2.76Å; L173-T176 VanDerWaalsContact O-N 3.14Å; L173-T176 PolarHBondContact O-OG1 3.37Å; T176-A179 PolarHBondContact O-N 3.42Å; T176-I180 WeakPolarHBondContact O-CB 3.4Å; T176-I180 WeakPolarHBondContact O-CD1 3.25Å; T176-I180 WeakPolarHBondContact O-CG1 3.15Å; T176-I180 PolarHBondContact O-N 3.18Å
177E85.3Confident79.1Confident131 Ų131105.5 Ų105.561%0.61252%0.519SS*.Hα-helixtrans-60.5-47.8175-178.5-175.3-173.500110.8L173 A179 I180 N181L173-E177 WeakPolarHBondContact O-CB 3.33Å; L173-E177 PolarHBondContact O-N 3.12Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 2.95Å; E177-I180 PolarHBondContact O-N 3.47Å; E177-N181 WeakPolarHBondContact O-CB 3.3Å; E177-N181 PolarHBondContact O-N 3.48Å
178K85.1Confident77.9Confident165 Ų165102.3 Ų102.372%0.71750%0.499SS*.Hα-helixtrans-61.4-40.8176.5-171.5175.3-179178.50112.2R174 K175 E182R174-K178 WeakPolarHBondContact O-CB 3.28Å; R174-K178 PolarHBondContact O-N 3.34Å; K175-K178 PolarHBondContact O-N 3.41Å; K178-E182 WeakPolarHBondContact O-CB 3.14Å; K178-E182 PolarHBondContact O-N 2.79Å
179A82.8Confident76.9Confident63 Ų6399.8 Ų99.852%0.52150%0.499SS..Hα-helixtrans-66.4-41.6177.500000112.2K175 T176 E177 F183K175-A179 WeakPolarHBondContact O-CB 3.37Å; K175-A179 PolarHBondContact O-N 3.34Å; T176-A179 PolarHBondContact O-N 3.42Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 2.95Å; A179-F183 WeakPolarHBondContact O-CB 3.33Å; A179-F183 PolarHBondContact O-N 3.39Å
180I79.2Confident75.8Confident95 Ų95102.4 Ų102.449%0.48751%0.51SS..Hα-helixtrans-64.8-47.6175.8-69.4165.4000110.2T176 E177 E182 F183 F184T176-I180 WeakPolarHBondContact O-CB 3.4Å; T176-I180 WeakPolarHBondContact O-CD1 3.25Å; T176-I180 WeakPolarHBondContact O-CG1 3.15Å; T176-I180 PolarHBondContact O-N 3.18Å; E177-I180 PolarHBondContact O-N 3.47Å; I180-E182 VanDerWaalsContact C-N 3.3Å; I180-E182 PolarHBondContact O-N 3.43Å; I180-F183 WeakPolarHBondContact O-CB 3.22Å; I180-F183 PolarHBondContact O-N 3.26Å; I180-F184 HydrophobicContact CG2-CD2 3.57Å; I180-F184 HydrophobicContact CG2-CE2 3.49Å; I180-F184 VanDerWaalsContact CG2-CE2 3.49Å; I180-F184 WeakPolarHBondContact O-CD2 3.44Å; I180-F184 PolarHBondContact O-N 2.89Å
181N77.7Confident75.2Confident108 Ų108104.3 Ų104.358%0.57851%0.511SS*.Hα-helixtrans-61.5-39.4179.5-167.653.2000111.8E177 F184 R185E177-N181 WeakPolarHBondContact O-CB 3.3Å; E177-N181 PolarHBondContact O-N 3.48Å; N181-F184 PolarHBondContact O-N 2.81Å; N181-R185 VanDerWaalsContact O-CB 3.27Å; N181-R185 WeakPolarHBondContact O-CB 3.3Å; N181-R185 PolarHBondContact O-N 3.44Å
182E80Confident74.2Confident79 Ų79106.1 Ų106.137%0.36952%0.517SS..Hα-helixtrans-67.7-42.5175-167.766.6177.800111.9K178 I180 F184 R185 T186K178-E182 WeakPolarHBondContact O-CB 3.14Å; K178-E182 PolarHBondContact O-N 2.79Å; I180-E182 VanDerWaalsContact C-N 3.3Å; I180-E182 PolarHBondContact O-N 3.43Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.47Å; E182-R185 VanDerWaalsContact CD-NH2 3.34Å; E182-R185 PolarHBondContact O-N 3.31Å; E182-R185 VanDerWaalsContact O-N 3.11Å; E182-R185 IonicContact OE1-CZ 2.76Å; E182-R185 IonicContact OE1-NE 3.28Å; E182-R185 IonicContact OE1-NH2 3.96Å; E182-R185 PolarHBondContact OE1-NH2 3.27Å; E182-R185 IonicContact OE2-CZ 3.41Å; E182-R185 IonicContact OE2-NE 3.37Å; E182-R185 PolarHBondContact OE2-NE 3.5Å; E182-R185 IonicContact OE2-NH2 3.97Å; E182-R185 PolarHBondContact OE2-NH2 2.96Å; E182-T186 HydrophobicContact CG-CG2 4.24Å; E182-T186 PolarHBondContact O-N 2.89Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.05Å
183F70.6Confident73.7Confident100 Ų100106.2 Ų106.244%0.43952%0.517SS..Hα-helixtrans-57.1-44.2174.9-178.3-98.8000111.8A179 I180 E187 G188A179-F183 WeakPolarHBondContact O-CB 3.33Å; A179-F183 PolarHBondContact O-N 3.39Å; I180-F183 WeakPolarHBondContact O-CB 3.22Å; I180-F183 PolarHBondContact O-N 3.26Å; F183-E187 PolarHBondContact O-N 2.93Å; F183-E187 VanDerWaalsContact O-N 3.14Å; F183-G188 WeakPolarHBondContact O-CA 3.49Å; F183-G188 PolarHBondContact O-N 3.02Å
184F70.7Confident73.6Confident113 Ų113108.2 Ų108.250%0.49652%0.522SS..Iπ-helixtrans-67-35.9176-80.4-71000113.2I180 N181 E182 G188 L192I180-F184 HydrophobicContact CG2-CD2 3.57Å; I180-F184 HydrophobicContact CG2-CE2 3.49Å; I180-F184 VanDerWaalsContact CG2-CE2 3.49Å; I180-F184 WeakPolarHBondContact O-CD2 3.44Å; I180-F184 PolarHBondContact O-N 2.89Å; N181-F184 PolarHBondContact O-N 2.81Å; E182-F184 VanDerWaalsContact C-N 3.3Å; E182-F184 PolarHBondContact O-N 3.47Å; F184-G188 PolarHBondContact O-N 3.49Å; F184-L192 HydrophobicContact CE1-CD1 3.65Å; F184-L192 HydrophobicContact CZ-CD1 4.07Å
185R70.1Confident73.1Confident175 Ų175102.2 Ų102.266%0.6651%0.511SS*.Iπ-helixtrans-74.1-36.6-178.5-166.7177.875.2103.14.6113.6N181 E182N181-R185 VanDerWaalsContact O-CB 3.27Å; N181-R185 WeakPolarHBondContact O-CB 3.3Å; N181-R185 PolarHBondContact O-N 3.44Å; E182-R185 VanDerWaalsContact CD-NH2 3.34Å; E182-R185 PolarHBondContact O-N 3.31Å; E182-R185 VanDerWaalsContact O-N 3.11Å; E182-R185 IonicContact OE1-CZ 2.76Å; E182-R185 IonicContact OE1-NE 3.28Å; E182-R185 IonicContact OE1-NH2 3.96Å; E182-R185 PolarHBondContact OE1-NH2 3.27Å; E182-R185 IonicContact OE2-CZ 3.41Å; E182-R185 IonicContact OE2-NE 3.37Å; E182-R185 PolarHBondContact OE2-NE 3.5Å; E182-R185 IonicContact OE2-NH2 3.97Å; E182-R185 PolarHBondContact OE2-NH2 2.96Å
186T67.1Low72.2Confident85 Ų85101.3 Ų101.352%0.52151%0.507SS..Iπ-helixtrans-100.9-28.1-172.562.90000114.3E182E182-T186 HydrophobicContact CG-CG2 4.24Å; E182-T186 PolarHBondContact O-N 2.89Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.05Å
187E62.4Low71.6Confident91 Ų91102.4 Ų102.443%0.42551%0.509SS..Iπ-helixtrans-143.4-7.6-175.5-81-162.7141.500114.9F183 K191F183-E187 PolarHBondContact O-N 2.93Å; F183-E187 VanDerWaalsContact O-N 3.14Å; E187-K191 HydrophobicContact CB-CG 3.94Å; E187-K191 VanDerWaalsContact CD-NZ 3.27Å; E187-K191 HydrophobicContact CG-CG 4.37Å; E187-K191 VanDerWaalsContact O-CB 3.25Å; E187-K191 WeakPolarHBondContact O-CB 3.28Å; E187-K191 WeakPolarHBondContact O-CG 3.28Å; E187-K191 PolarHBondContact O-N 3.33Å; E187-K191 IonicContact OE1-NZ 3.81Å; E187-K191 PolarHBondContact OE1-NZ 2.82Å; E187-K191 IonicContact OE2-NZ 2.67Å; E187-K191 PolarHBondContact OE2-NZ 3.23Å
188G60.8Low71Confident2 Ų2101.1 Ų101.12%0.02151%0.505CS..Iπ-helixtrans-65.5-49.1-162.500000115.4F183 F184 E190 L192F183-G188 WeakPolarHBondContact O-CA 3.49Å; F183-G188 PolarHBondContact O-N 3.02Å; F184-G188 PolarHBondContact O-N 3.49Å; G188-E190 PolarHBondContact O-N 3.22Å; G188-L192 WeakPolarHBondContact O-CA 3.27Å; G188-L192 WeakPolarHBondContact O-CB 3.34Å; G188-L192 PolarHBondContact O-N 2.99Å
189A63.4Low70.1Confident84 Ų8494.6 Ų94.669%0.69448%0.482SS*.Hα-helixtrans-64-46-175.100000112Q193A189-Q193 WeakPolarHBondContact O-CB 3.17Å; A189-Q193 PolarHBondContact O-N 3.46Å; A189-Q193 VanDerWaalsContact O-N 3.09Å
190E66.4Low69.2Low171 Ų17197 Ų9780%0.79948%0.481SS*.Hα-helixtrans-77.7-42.6-177.5-73.3-170152.100113.6G188 K194G188-E190 PolarHBondContact O-N 3.22Å; E190-K194 VanDerWaalsContact O-CB 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 PolarHBondContact O-N 3.35Å
191K67.9Low68.5Low100 Ų100102.6 Ų102.644%0.43550%0.496SS..Hα-helixtrans-72.5-35.7179.8-66.6-68.6-177.5730111.9E187 K194 A195E187-K191 HydrophobicContact CB-CG 3.94Å; E187-K191 VanDerWaalsContact CD-NZ 3.27Å; E187-K191 HydrophobicContact CG-CG 4.37Å; E187-K191 VanDerWaalsContact O-CB 3.25Å; E187-K191 WeakPolarHBondContact O-CB 3.28Å; E187-K191 WeakPolarHBondContact O-CG 3.28Å; E187-K191 PolarHBondContact O-N 3.33Å; E187-K191 IonicContact OE1-NZ 3.81Å; E187-K191 PolarHBondContact OE1-NZ 2.82Å; E187-K191 IonicContact OE2-NZ 2.67Å; E187-K191 PolarHBondContact OE2-NZ 3.23Å; K191-K194 PolarHBondContact O-N 3.38Å; K191-A195 VanDerWaalsContact O-CB 3.3Å; K191-A195 WeakPolarHBondContact O-CB 3.41Å; K191-A195 PolarHBondContact O-N 3.07Å
192L66.8Low68.2Low82 Ų82101 Ų10143%0.42949%0.487SS..Hα-helixtrans-75.1-37.1178.5-153.3153.8000110.8F184 G188 A195 F196F184-L192 HydrophobicContact CE1-CD1 3.65Å; F184-L192 HydrophobicContact CZ-CD1 4.07Å; G188-L192 WeakPolarHBondContact O-CA 3.27Å; G188-L192 WeakPolarHBondContact O-CB 3.34Å; G188-L192 PolarHBondContact O-N 2.99Å; L192-A195 PolarHBondContact O-N 3.36Å; L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.73Å
193Q68.1Low67Low115 Ų115102.1 Ų102.154%0.53750%0.501SS..Hα-helixtrans-63.4-40.7169.9-168.370.21100111.8A189 F196 E197A189-Q193 WeakPolarHBondContact O-CB 3.17Å; A189-Q193 PolarHBondContact O-N 3.46Å; A189-Q193 VanDerWaalsContact O-N 3.09Å; Q193-F196 PolarHBondContact O-N 3.31Å; Q193-E197 WeakPolarHBondContact O-CB 3.45Å; Q193-E197 PolarHBondContact O-N 2.77Å
194K74Confident66.3Low139 Ų139103.3 Ų103.360%0.60451%0.51SS*.Hα-helixtrans-67-41.2175.9-171172.4-176.2175.40112.2E190 K191 E197 I198E190-K194 VanDerWaalsContact O-CB 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.38Å; E190-K194 PolarHBondContact O-N 3.35Å; K191-K194 PolarHBondContact O-N 3.38Å; K194-E197 PolarHBondContact O-N 2.86Å; K194-I198 HydrophobicContact CG-CD1 4.12Å; K194-I198 WeakPolarHBondContact O-CB 3.36Å; K194-I198 WeakPolarHBondContact O-CD1 3.23Å; K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 3.15Å
195A69.5Low65.3Low56 Ų56102.2 Ų102.246%0.46351%0.509SS..Hα-helixtrans-66.2-38.4174.300000111.9K191 L192 I198 A199K191-A195 VanDerWaalsContact O-CB 3.3Å; K191-A195 WeakPolarHBondContact O-CB 3.41Å; K191-A195 PolarHBondContact O-N 3.07Å; L192-A195 PolarHBondContact O-N 3.36Å; A195-I198 PolarHBondContact O-N 2.94Å; A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.3Å
196F68.1Low64.4Low122 Ų12298.2 Ų98.254%0.53550%0.504SS..Hα-helixtrans-64.5-44.2174.1-177.4-98000111.8L192 Q193 I198 A199 K200L192-F196 WeakPolarHBondContact O-CB 3.34Å; L192-F196 PolarHBondContact O-N 2.73Å; Q193-F196 PolarHBondContact O-N 3.31Å; F196-I198 VanDerWaalsContact C-N 3.35Å; F196-I198 PolarHBondContact O-N 2.82Å; F196-A199 PolarHBondContact O-N 3.33Å; F196-K200 WeakPolarHBondContact O-CB 3.48Å; F196-K200 PolarHBondContact O-N 2.85Å
197E68.6Low64Low75 Ų7596.7 Ų96.735%0.3550%0.497SS..Hα-helixtrans-68.3-30.8175.4-79.5-61.4131.100113.1Q193 K194 K200Q193-E197 WeakPolarHBondContact O-CB 3.45Å; Q193-E197 PolarHBondContact O-N 2.77Å; K194-E197 PolarHBondContact O-N 2.86Å; E197-K200 IonicContact OE1-NZ 3.23Å; E197-K200 PolarHBondContact OE1-NZ 2.79Å
198I72Confident64Low103 Ų10396 Ų9653%0.52851%0.506SS..Hα-helixtrans-69.8-43.8170.2-68.9163.6000110.4K194 A195 F196 K200 R201K194-I198 HydrophobicContact CG-CD1 4.12Å; K194-I198 WeakPolarHBondContact O-CB 3.36Å; K194-I198 WeakPolarHBondContact O-CD1 3.23Å; K194-I198 WeakPolarHBondContact O-CG1 3.42Å; K194-I198 PolarHBondContact O-N 3.15Å; A195-I198 PolarHBondContact O-N 2.94Å; F196-I198 VanDerWaalsContact C-N 3.35Å; F196-I198 PolarHBondContact O-N 2.82Å; I198-K200 VanDerWaalsContact C-N 3.28Å; I198-K200 PolarHBondContact O-N 3.5Å; I198-R201 WeakPolarHBondContact O-CB 3.21Å; I198-R201 PolarHBondContact O-N 2.92Å
199A66.1Low64.1Low28 Ų28104.4 Ų104.423%0.23154%0.542CS..Hα-helixtrans-62.5-35.8178.100000112.2A195 F196 R201 I202 I205A195-A199 VanDerWaalsContact O-CB 3.29Å; A195-A199 WeakPolarHBondContact O-CB 3.22Å; A195-A199 PolarHBondContact O-N 3.3Å; F196-A199 PolarHBondContact O-N 3.33Å; A199-R201 PolarHBondContact O-N 2.89Å; A199-I202 HydrophobicContact CB-CD1 4.39Å; A199-I202 VanDerWaalsContact O-CB 3.26Å; A199-I202 WeakPolarHBondContact O-CB 3.41Å; A199-I202 WeakPolarHBondContact O-CG1 3.43Å; A199-I202 PolarHBondContact O-N 2.89Å; A199-I205 HydrophobicContact CB-CD1 4Å; A199-I205 WeakPolarHBondContact O-CD1 3.19Å
200K64.3Low64Low115 Ų115102.6 Ų102.650%0.552%0.523SS..THydrogen-bonded Turntrans-63.1-20.2174.1-164.9178.1-178.3-178.20113.6F196 E197 I198 T206F196-K200 WeakPolarHBondContact O-CB 3.48Å; F196-K200 PolarHBondContact O-N 2.85Å; E197-K200 IonicContact OE1-NZ 3.23Å; E197-K200 PolarHBondContact OE1-NZ 2.79Å; I198-K200 VanDerWaalsContact C-N 3.28Å; I198-K200 PolarHBondContact O-N 3.5Å; K200-T206 WeakPolarHBondContact O-CG2 3.34Å
201R64.4Low63.8Low211 Ų21198.6 Ų98.680%0.79651%0.507SS*.THydrogen-bonded Turntrans-87.9-7.8172.9-66179.4-179.9-111.80.6113.1I198 A199I198-R201 WeakPolarHBondContact O-CB 3.21Å; I198-R201 PolarHBondContact O-N 2.92Å; A199-R201 PolarHBondContact O-N 2.89Å
202I71.4Confident63.8Low76 Ų7698.6 Ų98.639%0.3951%0.508SS..SBendtrans-75.5125.3174-55.8174.3000107.8A199 I204 I205A199-I202 HydrophobicContact CB-CD1 4.39Å; A199-I202 VanDerWaalsContact O-CB 3.26Å; A199-I202 WeakPolarHBondContact O-CB 3.41Å; A199-I202 WeakPolarHBondContact O-CG1 3.43Å; A199-I202 PolarHBondContact O-N 2.89Å; I202-I204 HydrophobicContact CG2-CB 4.11Å; I202-I204 HydrophobicContact CG2-CD1 4.07Å; I202-I204 HydrophobicContact CG2-CG1 4.01Å; I202-I204 PolarHBondContact O-N 2.84Å; I202-I205 PolarHBondContact O-N 2.94Å
203P55.3Low63.8Low102 Ų102100 Ų10066%0.66252%0.515SS*.THydrogen-bonded Turntrans-61.7-10.8-17420.6-31.2000114.9T206P203-T206 WeakPolarHBondContact CA-OG1 3.38Å; P203-T206 PolarHBondContact O-OG1 2.81Å
204I55.5Low63.7Low124 Ų12497 Ų9764%0.63651%0.511SS*.THydrogen-bonded Turntrans-71.2-29.6176.2-57.5172.8000111.7I202 T210I202-I204 HydrophobicContact CG2-CB 4.11Å; I202-I204 HydrophobicContact CG2-CD1 4.07Å; I202-I204 HydrophobicContact CG2-CG1 4.01Å; I202-I204 PolarHBondContact O-N 2.84Å; I204-T210 WeakPolarHBondContact O-CB 3.42Å; I204-T210 VanDerWaalsContact O-CG2 3.31Å; I204-T210 WeakPolarHBondContact O-CG2 3.41Å; I204-T210 PolarHBondContact O-OG1 2.61Å
205I50.2Low63.7Low90 Ų9095.2 Ų95.246%0.46250%0.503SS..THydrogen-bonded Turntrans-98.5-20.5-176.5-40.8-174.1000111.7A199 I202A199-I205 HydrophobicContact CB-CD1 4Å; A199-I205 WeakPolarHBondContact O-CD1 3.19Å; I202-I205 PolarHBondContact O-N 2.94Å
206T50.9Low63.9Low92 Ų9296.3 Ų96.356%0.56450%0.504SS*.SBendtrans-84-7.9-179.958.20000114.2K200 P203 A208K200-T206 WeakPolarHBondContact O-CG2 3.34Å; P203-T206 WeakPolarHBondContact CA-OG1 3.38Å; P203-T206 PolarHBondContact O-OG1 2.81Å; T206-A208 PolarHBondContact O-N 3.39Å
207S58.4Low64.2Low52 Ų5294.1 Ų94.136%0.36450%0.5SS..SBendtrans-67.2128.5172.4160.10000109.2K209 T210 L211S207-K209 PolarHBondContact O-N 2.87Å; S207-K209 VanDerWaalsContact O-N 3.1Å; S207-K209 PolarHBondContact OG-N 2.91Å; S207-T210 VanDerWaalsContact CB-OG1 3.27Å; S207-T210 WeakPolarHBondContact CB-OG1 3.44Å; S207-T210 PolarHBondContact O-N 2.88Å; S207-T210 PolarHBondContact O-OG1 3.5Å; S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 VanDerWaalsContact O-N 3.15Å
208A62.8Low64.2Low76 Ų7697.1 Ų97.163%0.62851%0.514SS*.Hα-helixtrans-54.6-30.7176.400000111.9T206 E212T206-A208 PolarHBondContact O-N 3.39Å; A208-E212 WeakPolarHBondContact O-CG 3.47Å; A208-E212 PolarHBondContact O-N 2.97Å; A208-E212 VanDerWaalsContact O-N 3.14Å
209K62Low64.3Low179 Ų17998.7 Ų98.778%0.77852%0.517SS*.Hα-helixtrans-67.6-37.4176.1-92.4-179.7174.11720113.6S207 L213S207-K209 PolarHBondContact O-N 2.87Å; S207-K209 VanDerWaalsContact O-N 3.1Å; S207-K209 PolarHBondContact OG-N 2.91Å; K209-L213 WeakPolarHBondContact O-CB 3.3Å; K209-L213 PolarHBondContact O-N 2.94Å
210T60.6Low64.6Low47 Ų47103.6 Ų103.629%0.28853%0.534SS..Hα-helixtrans-77.8-29.4178.334.50000112.4I204 S207 A214I204-T210 WeakPolarHBondContact O-CB 3.42Å; I204-T210 VanDerWaalsContact O-CG2 3.31Å; I204-T210 WeakPolarHBondContact O-CG2 3.41Å; I204-T210 PolarHBondContact O-OG1 2.61Å; S207-T210 VanDerWaalsContact CB-OG1 3.27Å; S207-T210 WeakPolarHBondContact CB-OG1 3.44Å; S207-T210 PolarHBondContact O-N 2.88Å; S207-T210 PolarHBondContact O-OG1 3.5Å; T210-A214 WeakPolarHBondContact O-CB 3.29Å; T210-A214 PolarHBondContact O-N 2.67Å
211L62Low65Low87 Ų87101.9 Ų101.946%0.45553%0.533SS..Hα-helixtrans-67.8-44172.8-176.166.3000111.6S207 A214 K215S207-L211 PolarHBondContact O-N 3.5Å; S207-L211 VanDerWaalsContact O-N 3.15Å; L211-A214 PolarHBondContact O-N 3.06Å; L211-K215 VanDerWaalsContact O-CG 3.32Å; L211-K215 WeakPolarHBondContact O-CG 3.32Å; L211-K215 PolarHBondContact O-N 2.96Å
212E68.8Low65.3Low99 Ų9998.7 Ų98.746%0.46353%0.529SS..Hα-helixtrans-66.7-39.9175.5-66-53.3128.300111.6A208 A214 K215 V216A208-E212 WeakPolarHBondContact O-CG 3.47Å; A208-E212 PolarHBondContact O-N 2.97Å; A208-E212 VanDerWaalsContact O-N 3.14Å; E212-A214 PolarHBondContact O-N 3.44Å; E212-K215 PolarHBondContact O-N 3.16Å; E212-K215 IonicContact OE1-NZ 3.38Å; E212-K215 PolarHBondContact OE1-NZ 2.94Å; E212-V216 VanDerWaalsContact O-CG2 3.28Å; E212-V216 WeakPolarHBondContact O-CG2 3.46Å; E212-V216 PolarHBondContact O-N 2.98Å
213L67Low65.5Low112 Ų11298.6 Ų98.659%0.58653%0.526SS*.Hα-helixtrans-64.3-39.3173.4-172.763000112.1K209 V216 T217K209-L213 WeakPolarHBondContact O-CB 3.3Å; K209-L213 PolarHBondContact O-N 2.94Å; L213-V216 PolarHBondContact O-N 3.2Å; L213-T217 WeakPolarHBondContact O-CB 3.42Å; L213-T217 PolarHBondContact O-N 3.09Å; L213-T217 PolarHBondContact O-OG1 2.79Å
214A66.6Low66.3Low53 Ų53100.1 Ų100.144%0.43852%0.523SS..Hα-helixtrans-66.2-40.7175.700000112.1T210 L211 E212 T217 Q218T210-A214 WeakPolarHBondContact O-CB 3.29Å; T210-A214 PolarHBondContact O-N 2.67Å; L211-A214 PolarHBondContact O-N 3.06Å; E212-A214 PolarHBondContact O-N 3.44Å; A214-T217 PolarHBondContact O-N 2.86Å; A214-Q218 VanDerWaalsContact O-CB 3.31Å; A214-Q218 WeakPolarHBondContact O-CB 2.98Å; A214-Q218 PolarHBondContact O-N 3.18Å
215K72.2Confident67.1Low101 Ų10196.7 Ų96.744%0.43951%0.513SS..Hα-helixtrans-62.7-44.5173.6-73.8172.5-174.5168.70111.9L211 E212 T217 Q218 F219L211-K215 VanDerWaalsContact O-CG 3.32Å; L211-K215 WeakPolarHBondContact O-CG 3.32Å; L211-K215 PolarHBondContact O-N 2.96Å; E212-K215 PolarHBondContact O-N 3.16Å; E212-K215 IonicContact OE1-NZ 3.38Å; E212-K215 PolarHBondContact OE1-NZ 2.94Å; K215-T217 VanDerWaalsContact C-N 3.34Å; K215-Q218 PolarHBondContact O-N 2.9Å; K215-F219 VanDerWaalsContact O-CB 3.3Å; K215-F219 WeakPolarHBondContact O-CB 3.43Å; K215-F219 PolarHBondContact O-N 2.78Å
216V74.4Confident68.5Low79 Ų7997.8 Ų97.848%0.47951%0.512SS..Hα-helixtrans-63.6-41.8176.1171.40000110.7E212 L213 K220E212-V216 VanDerWaalsContact O-CG2 3.28Å; E212-V216 WeakPolarHBondContact O-CG2 3.46Å; E212-V216 PolarHBondContact O-N 2.98Å; L213-V216 PolarHBondContact O-N 3.2Å; V216-K220 HydrophobicContact CG1-CG 4.28Å; V216-K220 VanDerWaalsContact O-CB 3.25Å; V216-K220 WeakPolarHBondContact O-CB 3.35Å; V216-K220 WeakPolarHBondContact O-CG 3.41Å; V216-K220 PolarHBondContact O-N 2.87Å
217T73.8Confident69.5Low75 Ų7599.8 Ų99.846%0.4651%0.509SS..Hα-helixtrans-64.8-45.7177.4-53.60000110.9L213 A214 K215 K220 T221L213-T217 WeakPolarHBondContact O-CB 3.42Å; L213-T217 PolarHBondContact O-N 3.09Å; L213-T217 PolarHBondContact O-OG1 2.79Å; A214-T217 PolarHBondContact O-N 2.86Å; K215-T217 VanDerWaalsContact C-N 3.34Å; T217-K220 PolarHBondContact O-N 3.46Å; T217-T221 WeakPolarHBondContact O-CB 3.28Å; T217-T221 PolarHBondContact O-N 2.81Å; T217-T221 PolarHBondContact O-OG1 2.86Å
218Q69.8Low70.3Confident138 Ų138101.4 Ų101.465%0.64551%0.513SS*.Hα-helixtrans-61-47.1177.4-171.2-176.18.300111.7A214 K215 T221 M222A214-Q218 VanDerWaalsContact O-CB 3.31Å; A214-Q218 WeakPolarHBondContact O-CB 2.98Å; A214-Q218 PolarHBondContact O-N 3.18Å; K215-Q218 PolarHBondContact O-N 2.9Å; Q218-T221 VanDerWaalsContact CA-OG1 3.23Å; Q218-T221 WeakPolarHBondContact CA-OG1 2.93Å; Q218-T221 PolarHBondContact O-N 2.9Å; Q218-T221 PolarHBondContact O-OG1 3.39Å; Q218-M222 WeakPolarHBondContact O-CB 3.35Å; Q218-M222 PolarHBondContact O-N 2.95Å
219F73.2Confident70.9Confident136 Ų136104.6 Ų104.660%0.59652%0.515SS*.Hα-helixtrans-61-47.4176.9-174.8-91.1000111.2K215 T221 M222 E223K215-F219 VanDerWaalsContact O-CB 3.3Å; K215-F219 WeakPolarHBondContact O-CB 3.43Å; K215-F219 PolarHBondContact O-N 2.78Å; F219-T221 PolarHBondContact O-N 3.12Å; F219-M222 PolarHBondContact O-N 2.97Å; F219-E223 WeakPolarHBondContact O-CB 3.01Å; F219-E223 PolarHBondContact O-N 3.05Å
220K72.1Confident71.6Confident132 Ų132101 Ų10157%0.57450%0.501SS*.Hα-helixtrans-61.4-39.9175.7-74.8-84.6-175.5-179.20112.5V216 T217 E223 F224V216-K220 HydrophobicContact CG1-CG 4.28Å; V216-K220 VanDerWaalsContact O-CB 3.25Å; V216-K220 WeakPolarHBondContact O-CB 3.35Å; V216-K220 WeakPolarHBondContact O-CG 3.41Å; V216-K220 PolarHBondContact O-N 2.87Å; T217-K220 PolarHBondContact O-N 3.46Å; K220-E223 PolarHBondContact O-N 3Å; K220-F224 VanDerWaalsContact O-CB 3.28Å; K220-F224 WeakPolarHBondContact O-CB 3.36Å; K220-F224 PolarHBondContact O-N 3.19Å
221T72.9Confident72.1Confident79 Ų79103.9 Ų103.949%0.48551%0.514SS..Hα-helixtrans-70-35.6176.642.40000112.7T217 Q218 F219 F224 A225T217-T221 WeakPolarHBondContact O-CB 3.28Å; T217-T221 PolarHBondContact O-N 2.81Å; T217-T221 PolarHBondContact O-OG1 2.86Å; Q218-T221 VanDerWaalsContact CA-OG1 3.23Å; Q218-T221 WeakPolarHBondContact CA-OG1 2.93Å; Q218-T221 PolarHBondContact O-N 2.9Å; Q218-T221 PolarHBondContact O-OG1 3.39Å; F219-T221 PolarHBondContact O-N 3.12Å; T221-F224 PolarHBondContact O-N 2.77Å; T221-A225 WeakPolarHBondContact O-CB 3.48Å; T221-A225 PolarHBondContact O-N 2.8Å
222M71.9Confident72.3Confident144 Ų144102.5 Ų102.571%0.70952%0.515SS*.Hα-helixtrans-68.1-40.3175.3-176.9173.7176.100110.9Q218 F219 A225 R226Q218-M222 WeakPolarHBondContact O-CB 3.35Å; Q218-M222 PolarHBondContact O-N 2.95Å; F219-M222 PolarHBondContact O-N 2.97Å; M222-A225 PolarHBondContact O-N 2.89Å; M222-R226 PolarHBondContact O-N 2.96Å
223E75.8Confident72.1Confident73 Ų73108.5 Ų108.534%0.34153%0.534SS..Hα-helixtrans-65.9-43.4174.5-170171.4-152.100111.5F219 K220 A225 R226 Y227F219-E223 WeakPolarHBondContact O-CB 3.01Å; F219-E223 PolarHBondContact O-N 3.05Å; K220-E223 PolarHBondContact O-N 3Å; E223-A225 PolarHBondContact O-N 2.8Å; E223-R226 WeakPolarHBondContact O-CB 3.05Å; E223-R226 PolarHBondContact O-N 2.78Å; E223-Y227 HydrophobicContact CG-CD2 4.08Å; E223-Y227 HydrophobicContact CG-CE2 3.78Å; E223-Y227 WeakPolarHBondContact O-CD2 3.06Å; E223-Y227 PolarHBondContact O-N 3.32Å
224F71.9Confident72Confident135 Ų135107 Ų10759%0.59253%0.532SS*.Hα-helixtrans-62-40.6174.2-176.2-112.1000112.5K220 T221 R226 Y227 I228K220-F224 VanDerWaalsContact O-CB 3.28Å; K220-F224 WeakPolarHBondContact O-CB 3.36Å; K220-F224 PolarHBondContact O-N 3.19Å; T221-F224 PolarHBondContact O-N 2.77Å; F224-R226 VanDerWaalsContact C-N 3.35Å; F224-R226 PolarHBondContact O-N 2.8Å; F224-Y227 PolarHBondContact O-N 2.79Å; F224-I228 HydrophobicContact CD1-CD1 3.7Å; F224-I228 HydrophobicContact CE1-CD1 3.33Å; F224-I228 HydrophobicContact CE1-CG1 4.33Å; F224-I228 HydrophobicContact CE2-CD1 4.4Å; F224-I228 HydrophobicContact CG-CD1 4.4Å; F224-I228 HydrophobicContact CZ-CD1 3.71Å; F224-I228 HydrophobicContact CZ-CG1 4.34Å; F224-I228 WeakPolarHBondContact O-CG1 3.44Å; F224-I228 PolarHBondContact O-N 2.85Å
225A72.2Confident71.8Confident52 Ų52109.1 Ų109.143%0.4354%0.536SS..Hα-helixtrans-62.6-41.2174.400000111.9T221 M222 E223 Y227 I228 E229T221-A225 WeakPolarHBondContact O-CB 3.48Å; T221-A225 PolarHBondContact O-N 2.8Å; M222-A225 PolarHBondContact O-N 2.89Å; E223-A225 PolarHBondContact O-N 2.8Å; A225-Y227 VanDerWaalsContact C-N 3.35Å; A225-Y227 PolarHBondContact O-N 2.84Å; A225-I228 PolarHBondContact O-N 2.92Å; A225-E229 PolarHBondContact O-N 3.12Å
226R79.3Confident70.8Confident113 Ų113109.8 Ų109.843%0.42655%0.55SS..Hα-helixtrans-62.2-40.9174.5-162.9-163.974.974.712.9111.8M222 E223 F224 E229 E230M222-R226 PolarHBondContact O-N 2.96Å; E223-R226 WeakPolarHBondContact O-CB 3.05Å; E223-R226 PolarHBondContact O-N 2.78Å; F224-R226 VanDerWaalsContact C-N 3.35Å; F224-R226 PolarHBondContact O-N 2.8Å; R226-E229 PolarHBondContact O-N 2.86Å; R226-E230 IonicContact CZ-OE2 2.78Å; R226-E230 VanDerWaalsContact CZ-OE2 3.28Å; R226-E230 IonicContact NH1-OE2 2.79Å; R226-E230 PolarHBondContact NH1-OE2 2.04Å; R226-E230 IonicContact NH2-OE2 2.89Å; R226-E230 PolarHBondContact NH2-OE2 3.23Å; R226-E230 WeakPolarHBondContact O-CB 3.5Å; R226-E230 PolarHBondContact O-N 2.79Å
227Y72.1Confident69.7Low133 Ų133111.9 Ų111.952%0.52256%0.558SS.*Hα-helixtrans-64.4-38.2174.2-84.2-67.1000112.6E223 F224 A225 E230 L231E223-Y227 HydrophobicContact CG-CD2 4.08Å; E223-Y227 HydrophobicContact CG-CE2 3.78Å; E223-Y227 WeakPolarHBondContact O-CD2 3.06Å; E223-Y227 PolarHBondContact O-N 3.32Å; F224-Y227 PolarHBondContact O-N 2.79Å; A225-Y227 VanDerWaalsContact C-N 3.35Å; A225-Y227 PolarHBondContact O-N 2.84Å; Y227-E230 PolarHBondContact O-N 2.78Å; Y227-L231 VanDerWaalsContact O-CB 3.27Å; Y227-L231 WeakPolarHBondContact O-CB 3.39Å; Y227-L231 PolarHBondContact O-N 2.78Å
228I74.7Confident68.5Low86 Ų86112 Ų11244%0.44156%0.56SS.*Hα-helixtrans-66.5-42174.9-70.7169.4000111.1F224 A225 E230 L231 A232F224-I228 HydrophobicContact CD1-CD1 3.7Å; F224-I228 HydrophobicContact CE1-CD1 3.33Å; F224-I228 HydrophobicContact CE1-CG1 4.33Å; F224-I228 HydrophobicContact CE2-CD1 4.4Å; F224-I228 HydrophobicContact CG-CD1 4.4Å; F224-I228 HydrophobicContact CZ-CD1 3.71Å; F224-I228 HydrophobicContact CZ-CG1 4.34Å; F224-I228 WeakPolarHBondContact O-CG1 3.44Å; F224-I228 PolarHBondContact O-N 2.85Å; A225-I228 PolarHBondContact O-N 2.92Å; I228-E230 VanDerWaalsContact C-N 3.34Å; I228-L231 PolarHBondContact O-N 2.86Å; I228-A232 WeakPolarHBondContact O-CB 3.38Å; I228-A232 PolarHBondContact O-N 2.78Å
229E76.4Confident67.7Low144 Ų144111 Ų11167%0.67357%0.566SS**Hα-helixtrans-63.8-39.8177.3-171.1174-171.600111.7A225 R226 A232 R233A225-E229 PolarHBondContact O-N 3.12Å; R226-E229 PolarHBondContact O-N 2.86Å; E229-A232 PolarHBondContact O-N 2.95Å; E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.19Å
230E75.6Confident66.7Low103 Ų103111.4 Ų111.448%0.48157%0.573SS.*Hα-helixtrans-72.2-33.1176.7-161.1146-142.100112.3R226 Y227 I228 R233 S234R226-E230 IonicContact CZ-OE2 2.78Å; R226-E230 VanDerWaalsContact CZ-OE2 3.28Å; R226-E230 IonicContact NH1-OE2 2.79Å; R226-E230 PolarHBondContact NH1-OE2 2.04Å; R226-E230 IonicContact NH2-OE2 2.89Å; R226-E230 PolarHBondContact NH2-OE2 3.23Å; R226-E230 WeakPolarHBondContact O-CB 3.5Å; R226-E230 PolarHBondContact O-N 2.79Å; Y227-E230 PolarHBondContact O-N 2.78Å; I228-E230 VanDerWaalsContact C-N 3.34Å; E230-R233 PolarHBondContact O-N 3.44Å; E230-S234 WeakPolarHBondContact O-CB 3.46Å; E230-S234 PolarHBondContact O-N 3.41Å; E230-S234 VanDerWaalsContact O-N 3.09Å; E230-S234 PolarHBondContact O-OG 2.78Å
231L71.8Confident65.8Low108 Ų108109.7 Ų109.757%0.56557%0.569SS**Hα-helixtrans-66.9-43.5169.7-173.564.5000111.5Y227 I228 R233 S234 I235Y227-L231 VanDerWaalsContact O-CB 3.27Å; Y227-L231 WeakPolarHBondContact O-CB 3.39Å; Y227-L231 PolarHBondContact O-N 2.78Å; I228-L231 PolarHBondContact O-N 2.86Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 2.88Å; L231-S234 WeakPolarHBondContact CA-OG 3.38Å; L231-S234 PolarHBondContact O-N 3.1Å; L231-S234 PolarHBondContact O-OG 3.47Å; L231-I235 WeakPolarHBondContact O-CG1 3.36Å; L231-I235 PolarHBondContact O-N 2.99Å; L231-I235 VanDerWaalsContact O-N 3.16Å
232A65.1Low64.9Low57 Ų57113.7 Ų113.747%0.47159%0.587SS.*Hα-helixtrans-62.6-33.5176.100000112.3I228 E229I228-A232 WeakPolarHBondContact O-CB 3.38Å; I228-A232 PolarHBondContact O-N 2.78Å; E229-A232 PolarHBondContact O-N 2.95Å
233R65Low64Low225 Ų225112.2 Ų112.285%0.84958%0.582SS**Hα-helixtrans-77.7-23.6176.8-173.7176.7154.886.93.6113.6E229 E230 L231E229-R233 WeakPolarHBondContact O-CB 3.41Å; E229-R233 PolarHBondContact O-N 3.19Å; E230-R233 PolarHBondContact O-N 3.44Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 2.88Å
234S64.2Low62.8Low80 Ų80112.2 Ų112.256%0.55959%0.589SS**Hα-helixtrans-91.2-9.8178.2530000113.9E230 L231 P236E230-S234 WeakPolarHBondContact O-CB 3.46Å; E230-S234 PolarHBondContact O-N 3.41Å; E230-S234 VanDerWaalsContact O-N 3.09Å; E230-S234 PolarHBondContact O-OG 2.78Å; L231-S234 WeakPolarHBondContact CA-OG 3.38Å; L231-S234 PolarHBondContact O-N 3.1Å; L231-S234 PolarHBondContact O-OG 3.47Å; S234-P236 VanDerWaalsContact O-CD 3.22Å; S234-P236 WeakPolarHBondContact O-CD 3.31Å
235I63.4Low61.9Low99 Ų99115 Ų11551%0.50860%0.595SS.*SBendtrans-76.7111.6167.1-65.3161.9000107.4L231 L237L231-I235 WeakPolarHBondContact O-CG1 3.36Å; L231-I235 PolarHBondContact O-N 2.99Å; L231-I235 VanDerWaalsContact O-N 3.16Å; I235-L237 PolarHBondContact O-N 2.86Å
236P50.7Low61Low114 Ų114114.5 Ų114.574%0.7459%0.591SS**  trans-65.3101.2175.327.1-32000108.2S234 P238S234-P236 VanDerWaalsContact O-CD 3.22Å; S234-P236 WeakPolarHBondContact O-CD 3.31Å; P236-P238 WeakPolarHBondContact O-CD 3.22Å
237L52.4Low59.5Low123 Ų123115.4 Ų115.464%0.64460%0.598SS**  trans-61.6125.7169.9-72.3164.7000107.5I235 I241I235-L237 PolarHBondContact O-N 2.86Å; L237-I241 HydrophobicContact CD2-CD1 4Å
238P47.9Very low58.6Low77 Ų77115.8 Ų115.850%0.561%0.607SS.*  trans-54.2140.2171.1-22.632.9000109.1P236 L240 I241P236-P238 WeakPolarHBondContact O-CD 3.22Å; P238-L240 PolarHBondContact O-N 2.82Å; P238-I241 PolarHBondContact O-N 2.99Å
239P53.8Low57.7Low119 Ų119117.3 Ų117.377%0.77361%0.612SS**THydrogen-bonded Turntrans-61.8-0.9-177.223.7-33.3000114.4
240L50.5Low56.4Low143 Ų143116.9 Ų116.975%0.74961%0.61SS**THydrogen-bonded Turntrans-81.7-10.3-179-64.4170.3000114.4P238P238-L240 PolarHBondContact O-N 2.82Å
241I53.3Low55.4Low97 Ų97116.3 Ų116.350%0.49761%0.609SS.*SBendtrans-88.2-18.9-177.9-64.3171.1000112.8L237 P238 N243 C244L237-I241 HydrophobicContact CD2-CD1 4Å; P238-I241 PolarHBondContact O-N 2.99Å; I241-N243 PolarHBondContact O-N 2.96Å; I241-N243 VanDerWaalsContact O-N 3.14Å; I241-C244 PolarHBondContact O-N 2.87Å
242L54.4Low54.2Low162 Ų162119.3 Ų119.385%0.84862%0.618SS**THydrogen-bonded Turntrans-65.7-15.4175.8-104119.2000113.5
243N53.4Low53.5Low114 Ų114123.1 Ų123.161%0.6163%0.626SS**THydrogen-bonded Turntrans-102.7-3.9-177.8-133.313.5000114.3I241 R245 A246 F247I241-N243 PolarHBondContact O-N 2.96Å; I241-N243 VanDerWaalsContact O-N 3.14Å; N243-R245 PolarHBondContact O-N 3.13Å; N243-A246 PolarHBondContact O-N 3.38Å; N243-A246 WeakPolarHBondContact OD1-CB 3.3Å; N243-F247 PolarHBondContact O-N 3.29Å
244C51.2Low52.8Low72 Ų72116.5 Ų116.549%0.48662%0.62SS.*Hα-helixtrans-66.8-21.8177.6-68.50000112.8I241 M248I241-C244 PolarHBondContact O-N 2.87Å; C244-M248 PolarHBondContact O-N 3.5Å
245R52Low51.8Low194 Ų194117.6 Ų117.673%0.73262%0.623SS**Hα-helixtrans-71-43.3172.3-166.6-176.9-126.2-99.55.3111.4N243 E249N243-R245 PolarHBondContact O-N 3.13Å; R245-E249 IonicContact NH1-OE1 3.18Å; R245-E249 PolarHBondContact O-N 3.39Å
246A54.2Low50.6Low41 Ų41121.9 Ų121.934%0.33963%0.632SS.*Hα-helixtrans-68.5-38.7178.300000112N243 M248 E249 E250N243-A246 PolarHBondContact O-N 3.38Å; N243-A246 WeakPolarHBondContact OD1-CB 3.3Å; A246-M248 PolarHBondContact O-N 2.97Å; A246-E249 PolarHBondContact O-N 3.2Å; A246-E250 PolarHBondContact O-N 3.31Å; A246-E250 VanDerWaalsContact O-N 3.1Å
247F47.9Very low50.3Low132 Ų132122.2 Ų122.258%0.57963%0.632SS**Hα-helixtrans-70.3-32.3-179.4-156.1-101.6000113.4N243 I251N243-F247 PolarHBondContact O-N 3.29Å; F247-I251 HydrophobicContact CD1-CD1 3.59Å; F247-I251 HydrophobicContact CE1-CD1 3.4Å; F247-I251 HydrophobicContact CE1-CG1 4.43Å; F247-I251 HydrophobicContact CZ-CD1 4.22Å; F247-I251 WeakPolarHBondContact O-CG1 3.37Å; F247-I251 PolarHBondContact O-N 2.87Å
248M53.3Low49.6Very low142 Ų142123.8 Ų123.870%0.764%0.641SS**Hα-helixtrans-77.2-27.2174.6-80.3-145.4-70.900113.4C244 A246 F252C244-M248 PolarHBondContact O-N 3.5Å; A246-M248 PolarHBondContact O-N 2.97Å; M248-F252 PolarHBondContact O-N 2.88Å
249E54.2Low49Very low118 Ų118127.4 Ų127.455%0.55166%0.656SS**Hα-helixtrans-72.1-42.1173-84.6169.7174.600111.6R245 A246 I251 F252 E253R245-E249 IonicContact NH1-OE1 3.18Å; R245-E249 PolarHBondContact O-N 3.39Å; A246-E249 PolarHBondContact O-N 3.2Å; E249-I251 PolarHBondContact O-N 2.87Å; E249-F252 PolarHBondContact O-N 3.05Å; E249-E253 PolarHBondContact O-N 3Å; E249-E253 VanDerWaalsContact O-N 3.07Å
250E49.5Very low48.5Very low134 Ų134126.3 Ų126.363%0.62665%0.649SS**Hα-helixtrans-62.9-38.9175.3-83.8-176.415000113.3A246 E253 A254A246-E250 PolarHBondContact O-N 3.31Å; A246-E250 VanDerWaalsContact O-N 3.1Å; E250-E253 PolarHBondContact O-N 2.72Å; E250-A254 PolarHBondContact O-N 3.11Å
251I55.4Low47.6Very low91 Ų91127 Ų12747%0.46765%0.654SS.*Hα-helixtrans-71.3-32.5178.4-71.4172.4000111.9F247 E249F247-I251 HydrophobicContact CD1-CD1 3.59Å; F247-I251 HydrophobicContact CE1-CD1 3.4Å; F247-I251 HydrophobicContact CE1-CG1 4.43Å; F247-I251 HydrophobicContact CZ-CD1 4.22Å; F247-I251 WeakPolarHBondContact O-CG1 3.37Å; F247-I251 PolarHBondContact O-N 2.87Å; E249-I251 PolarHBondContact O-N 2.87Å
252F46.7Very low46.7Very low172 Ų172131.9 Ų131.975%0.75467%0.674SS**Hα-helixtrans-76.6-25.8176.8-122-89.4000112.7M248 E249M248-F252 PolarHBondContact O-N 2.88Å; E249-F252 PolarHBondContact O-N 3.05Å
253E49.8Very low45.8Very low136 Ų136131.4 Ų131.464%0.63668%0.678SS**Hα-helixtrans-78.2-28.8176-168.2150.8-143.400112.7E249 E250 V255 R256E249-E253 PolarHBondContact O-N 3Å; E249-E253 VanDerWaalsContact O-N 3.07Å; E250-E253 PolarHBondContact O-N 2.72Å; E253-V255 VanDerWaalsContact C-N 3.27Å; E253-V255 PolarHBondContact O-N 3.1Å; E253-R256 IonicContact OE1-NH1 2.67Å
254A50.5Low44.8Very low87 Ų87129.5 Ų129.572%0.71969%0.685SS**THydrogen-bonded Turntrans-77.8-5.8173.300000114.6E250E250-A254 PolarHBondContact O-N 3.11Å
255V42.9Very low43.8Very low102 Ų102134.7 Ų134.762%0.61870%0.702SS**THydrogen-bonded Turntrans-120.432.1179.3-173.10000111E253 V257E253-V255 VanDerWaalsContact C-N 3.27Å; E253-V255 PolarHBondContact O-N 3.1Å; V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 2.68Å; V255-V257 VanDerWaalsContact O-N 3.1Å
256R38.6Very low42.8Very low189 Ų189133.2 Ų133.271%0.71370%0.704SS**  trans-76.691.9154.4-72.5-156-178.595.4-0108.1E253 D258E253-R256 IonicContact OE1-NH1 2.67Å; R256-D258 PolarHBondContact O-N 3.4Å
257V43.5Very low41.6Very low122 Ų122136.3 Ų136.374%0.73972%0.718SS**  trans-62.4117.9159.8175.50000106.4V255 D259V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 2.68Å; V255-V257 VanDerWaalsContact O-N 3.1Å; V257-D259 PolarHBondContact O-N 3.42Å
258D37.9Very low40.7Very low156 Ų156138.7 Ų138.783%0.83473%0.728SS**  trans-50.2120.3163.4-83.7-69.3000109R256R256-D258 PolarHBondContact O-N 3.4Å
259D35Very low39.6Very low152 Ų152139.9 Ų139.981%0.81373%0.732SS**  trans-105.6122160.5-145.56.4000106.1V257V257-D259 PolarHBondContact O-N 3.42Å
260P43.8Very low38.3Very low96 Ų96139.4 Ų139.462%0.62374%0.737SS**  trans-80.6156.9178.634-30.4000109.8
261D32.2Very low37.2Very low157 Ų157141.6 Ų141.684%0.8475%0.748SS**  trans105.883.8168.5-51.1-29.7000115.5
262E33.8Very low35.9Very low200 Ų200141.5 Ų141.594%0.93576%0.761SS**  -164.4136.6116.4-111.1-171.9170.200112.1
263V36.6Very low34.8Very low152 Ų152139.2 Ų139.292%0.92177%0.765SS**  trans-80.9136.8-179.8164.20000110.1
264G32.2Very low33.6Very low74 Ų74137.9 Ų137.976%0.76377%0.77SS**  trans174.5106.2167.600000116.4
265E30.6Very low32.6Very low181 Ų181138.3 Ų138.385%0.84677%0.774SS**  trans-1.5141164.1-66-163144.900125.4
266E30.6Very low32Very low164 Ų164142.3 Ų142.377%0.76679%0.786SS**  trans67.5114.4132.7-74.4-151.2131.100125.2
267V29Very low31.5Very low106 Ų106137.8 Ų137.864%0.64279%0.789SS**  75.8127.6116-179.80000122.3
268K28.5Very low30.8Very low182 Ų182136.1 Ų136.179%0.79179%0.788SS**  trans74.1133.7159.2-88.5169.8176.2175.50116.5
269Q29.5Very low30.5Very low167 Ų167135 Ų13578%0.7878%0.781SS**  cis-163.3140.843.9-157.5148.8-8.400112.5
270T27.7Very low30.2Very low107 Ų107137.9 Ų137.966%0.65678%0.781SS**  trans2139.6146.6-15.60000116.9
271Q27.5Very low29.9Very low181 Ų181138.6 Ų138.685%0.84679%0.786SS**  -178.315150.8-166.8146.7-18.800111.7
272A26.2Very low29.8Very low89 Ų89139.3 Ų139.374%0.73679%0.788SS**  trans-86.2162.2-173.500000115.9
273C25Very low29.5Very low124 Ų124136.6 Ų136.684%0.83878%0.78SS**  trans-175.8104.1130.3-105.30000108.6
274S24.8Very low29.7Very low108 Ų108134.9 Ų134.976%0.75577%0.772SS**  54.6120.387.8179.50000112.4
275A29.1Very low29.5Very low96 Ų96139.2 Ų139.279%0.79377%0.773SS**  -159.5151.161.900000114.4
276Q29.9Very low29.5Very low185 Ų185136.8 Ų136.886%0.86476%0.764SS**  trans-78.8160.6175.9-63.5120.8-25.100113.7
277A27.6Very low29.3Very low95 Ų95137.4 Ų137.479%0.78576%0.764SS**  168.5110.8124.400000110.1
278A29Very low29.3Very low86 Ų86142.7 Ų142.771%0.71177%0.772SS**  81.685.693.900000113.5
279I31.2Very low29.3Very low134 Ų134138.3 Ų138.369%0.68777%0.765SS**  63113.3101.7-42.8151000115.9
280Y28.9Very low29.3Very low211 Ų211137.1 Ų137.183%0.82776%0.764SS**  162.3151.8112.7-88.8-69.6000112.1
281P37.5Very low29.6Very low112 Ų112137.1 Ų137.173%0.72777%0.768SS**  trans-101.8156.7-162.639.6-33.2000113.9
282I30.8Very low30.7Very low171 Ų171133.9 Ų133.988%0.87776%0.763SS**  trans-136.3129.8170.6-61.1179000110.9
283N28.1Very low31Very low143 Ų143135.2 Ų135.277%0.76577%0.767SS**  trans-72.8146.4175.2-165.138000111.6
284P40.4Very low31.4Very low116 Ų116133.2 Ų133.275%0.75377%0.767SS**  trans-103126.2178.934.7-25.1000113
285E27.7Very low31.7Very low166 Ų166135.3 Ų135.378%0.77677%0.77SS**  trans-129.1124.6159.5-88.4-161.3155.900111.4
286I30.1Very low32.1Very low129 Ų129136.3 Ų136.366%0.66277%0.771SS**  trans82.9115.3132.8-64.6171.4000121.3
287K27.4Very low32.7Very low178 Ų178135.1 Ų135.177%0.77477%0.77SS**  trans62.4120.5137.7-76177.8-178.4173.10123.9
288R28Very low33Very low216 Ų216138.8 Ų138.882%0.81578%0.777SS**  78.9124.2109.5-153.2-179.1-155.5111.2-1.3121.5
289S29.5Very low33.2Very low90 Ų90138 Ų13863%0.62978%0.778SS**  trans66.4150.6149.777.20000118.9
290D28.5Very low33.2Very low143 Ų143136.2 Ų136.277%0.76578%0.777SS**  cis-153.3161.926.8-88.8-63.8000113.1
291S34.4Very low33.4Very low106 Ų106134.3 Ų134.374%0.74178%0.778SS**  trans-63-175.3170.243.40000114.6
292P51Low33.2Very low114 Ų114135 Ų13574%0.7478%0.775SS**  cis-148173.331.140.3-15.6000117.9
293S32.6Very low33.4Very low117 Ų117136.1 Ų136.182%0.81878%0.777SS**  178.1143.291.7-61.50000113.5
294G32.6Very low33.7Very low82 Ų82136.9 Ų136.985%0.84578%0.776SS**  trans90.5136.9142.200000119.1
295D31.3Very low33.4Very low151 Ų151135.3 Ų135.381%0.80778%0.781SS**  cis174.8129.1-29.717921.7000103.6
296S37.3Very low33.8Very low117 Ų117136.1 Ų136.182%0.81878%0.784SS**  trans162.7108.3152.2-75.60000111.4
297D41.8Very low34Very low160 Ų160139 Ų13986%0.85680%0.795SS**  trans-85.7143.5167.8-71-42.7000111.5
298D34.8Very low34.5Very low172 Ų172137.7 Ų137.792%0.9280%0.795SS**  155.2140.9107.1-159.513.8000112.2
299G33Very low34.8Very low71 Ų71131.8 Ų131.873%0.73279%0.792SS**  trans134.184.617000000116.4
300S31.4Very low35Very low96 Ų96133.4 Ų133.467%0.67180%0.798SS**  trans-59.1148.4175.267.90000115.4
301M33.8Very low35.2Very low171 Ų171135 Ų13584%0.84280%0.801SS**  -167.7140.5122.8-93.9-59101.100110.4
302N32.2Very low35.2Very low125 Ų125135.7 Ų135.767%0.66880%0.8SS**  trans-81.6122.4-173.4177.744000110.8
303E35.4Very low34.4Very low195 Ų195135.2 Ų135.291%0.91180%0.8SS**  trans-136.8117.9159.5-78.2-148.7121.500111.2G305E303-G305 PolarHBondContact O-N 3.15Å
304Q34.7Very low34.7Very low160 Ų160137.1 Ų137.175%0.74880%0.799SS**  trans-72.8116.8172.7-75.9144.5-30.900109Q306Q304-Q306 PolarHBondContact O-N 3.49Å; Q304-Q306 VanDerWaalsContact O-N 3.15Å
305G33.1Very low34.7Very low83 Ų83141.8 Ų141.886%0.85680%0.799SS**  trans-66.3109.2169.600000110.5E303E303-G305 PolarHBondContact O-N 3.15Å
306Q36.8Very low35Very low182 Ų182139.9 Ų139.985%0.8580%0.795SS**  trans-65.5126.5176.6-91.4153.1-41.400112.3Q304 I308Q304-Q306 PolarHBondContact O-N 3.49Å; Q304-Q306 VanDerWaalsContact O-N 3.15Å; Q306-I308 PolarHBondContact O-N 3.08Å
307E34.5Very low34.8Very low189 Ų189144 Ų14488%0.88380%0.801SS**  trans-68.8117.1167.2-173.4176.1-177.900109.6A309E307-A309 PolarHBondContact O-N 3.08Å
308I37.9Very low34.5Very low152 Ų152141.1 Ų141.178%0.77979%0.793SS**  trans-84.398.3176.7-58.6170.6000108.2Q306 V310Q306-I308 PolarHBondContact O-N 3.08Å; I308-V310 HydrophobicContact CG2-CG2 4.33Å
309A34.2Very low34.6Very low92 Ų92141.8 Ų141.876%0.7679%0.791SS**  trans-82111.4167.900000109.8E307 Q311E307-A309 PolarHBondContact O-N 3.08Å; A309-Q311 PolarHBondContact O-N 2.82Å
310V33.2Very low34.7Very low124 Ų124144.9 Ų144.975%0.75280%0.795SS**  trans-81.2108.7173.1178.70000109I308 V312I308-V310 HydrophobicContact CG2-CG2 4.33Å; V310-V312 HydrophobicContact CG1-CG2 4.19Å
311Q32.4Very low34.8Very low176 Ų176149.4 Ų149.482%0.82281%0.806SS**  trans-92.9115.7173.2-168.1172.229.400109.6A309A309-Q311 PolarHBondContact O-N 2.82Å
312V34.5Very low34.6Very low120 Ų120146.4 Ų146.473%0.72780%0.802SS**  trans-97.9106.9175.4-177.30000108.9V310V310-V312 HydrophobicContact CG1-CG2 4.19Å
313S33.9Very low34.7Very low104 Ų104147.9 Ų147.973%0.72781%0.808SS**PPolyproline II helixtrans-90123.5170.9-660000109.7
314I39.2Very low34.5Very low158 Ų158145.7 Ų145.781%0.8180%0.802SS**PPolyproline II helixtrans-90.1121.3173.5-58.5171.9000108.1
315H33.2Very low34.3Very low179 Ų179145.1 Ų145.183%0.82981%0.81SS**PPolyproline II helixtrans-91.9128.7173.1-14134.5000109.3
316P37.2Very low34.3Very low112 Ų112147 Ų14773%0.72781%0.805SS**PPolyproline II helixtrans-71.5127.9170.8-9.625000109.5S318P316-S318 PolarHBondContact O-N 3.48Å
317Q32.8Very low34Very low202 Ų202144.1 Ų144.194%0.94481%0.805SS**  trans-71.7112.9-177.2-153178.523.100110.2
318S35.8Very low33.9Very low100 Ų100143.4 Ų143.470%0.69980%0.801SS**  trans-65.3135.3169.8172.40000111.1P316P316-S318 PolarHBondContact O-N 3.48Å
319E36.8Very low33.4Very low187 Ų187143.3 Ų143.387%0.87480%0.802SS**  trans-25128.9155.6-124165.317300113.8
320V35.3Very low33.3Very low135 Ų135143.4 Ų143.482%0.81880%0.797SS**  trans-119.7117.2164175.70000108.1
321Q34.7Very low33.1Very low191 Ų191143.5 Ų143.589%0.89380%0.802SS**  trans-90.5130.9173.7-162.1174.848.700108.5
322S29.6Very low33Very low108 Ų108143.7 Ų143.776%0.75580%0.803SS**  trans-145.297.1164.269.40000112.4
323I32.9Very low32.7Very low156 Ų156148.1 Ų148.180%0.881%0.813SS**  trans35.9114.2133.7-55.2173.6000119.7
324D31.9Very low32.7Very low149 Ų149147.3 Ų147.380%0.79781%0.812SS**  trans14.4131.7143.8-63-35.3000122.5
325T30.5Very low33.1Very low148 Ų148145.2 Ų145.291%0.90881%0.809SS**  trans-148.9132.3132.4-35.80000111.9
326V32.4Very low33Very low123 Ų123142 Ų14275%0.74581%0.806SS**  trans-62.4139.3-178.2169.10000113.9
327S30.2Very low33.1Very low121 Ų121145.3 Ų145.385%0.84681%0.812SS**  trans-152.1130.3138.452.60000111.5
328H33.2Very low33.4Very low174 Ų174144.8 Ų144.881%0.80681%0.81SS**  trans-79.1140.4-179.3-105.6-101.3000111.9
329D28.6Very low33.3Very low151 Ų151143.6 Ų143.681%0.80781%0.813SS**  trans157.1139.2139.2-100.9-23.5000108.3
330S30.6Very low33.3Very low94 Ų94141.4 Ų141.466%0.65781%0.813SS**  cis-172155.4-10.7-114.60000106.1
331C29Very low33.5Very low125 Ų125144.6 Ų144.685%0.84584%0.839SS**  trans84.3104.3158.4-59.10000121.4
332Q30.3Very low33.5Very low181 Ų181142.3 Ų142.385%0.84684%0.836SS**  trans-56.9143.9146.4-72.4165.2-30.800111.7
333F28.6Very low33.7Very low213 Ų213144.1 Ų144.193%0.93484%0.84SS**  -166122.5129.7-103.2-74.6000109.8
334A33.3Very low33.7Very low86 Ų86143.4 Ų143.471%0.71184%0.842SS**  trans-131.1175.4154.200000105.5
335P47.8Very low33.8Very low114 Ų114143.1 Ų143.174%0.7485%0.845SS**  cis-134.7-177.3-11.337.3-18.5000112.5
336S32.1Very low34Very low112 Ų112142.8 Ų142.878%0.78384%0.841SS**  trans-170.6115.1148.9-66.70000106.4
337E39.3Very low34.1Very low182 Ų182144.1 Ų144.185%0.8585%0.848SS**  47.712781.3-72.4-159.5155.500111.7
338E37.9Very low34.4Very low191 Ų191145.7 Ų145.789%0.89385%0.848SS**  cis-150.5161.118.6-88.1163.7125.100106.6
339G33.6Very low34.5Very low75 Ų75143.5 Ų143.577%0.77385%0.851SS**  145.1148.28200000112.4
340T38.4Very low35Very low141 Ų141142.9 Ų142.987%0.86586%0.855SS**  trans-58.9131.2-174-31.10000115.5
341C38.9Very low35.4Very low201 Ų201147.4 Ų147.4100%1.35887%0.873SS**  trans1650130-85.10000110.5

Retrieved 341 of 341 residues in 122.2 ms (Link to these results)