A0A087Y2V6_POEFO Loading...

Microfibril-associated glycoprotein 3

Component of the elastin-associated microfibrils.

AlphaFold DB , UniProt , Accession A0A087Y2V6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M45.6Very low49.2Very low219 Ų219123.3 Ų123.3100%1.07964%0.643SS**  02.50-77.8-174135.600115
2L38.9Very low50.2Low153 Ų153116.7 Ų116.780%0.80161%0.609SS**  trans-80.5-28-178.6-124.871.1000114.4
3S37.9Very low51.1Low106 Ų106115.8 Ų115.874%0.74161%0.605SS**Hα-helixtrans-71.2-32.6-177177.30000114.1K5 C7S3-K5 PolarHBondContact O-N 3.3Å; S3-C7 PolarHBondContact O-N 3.15Å
4K45.7Very low51.5Low169 Ų169115.4 Ų115.474%0.73560%0.603SS**Hα-helixtrans-71.4-28.8179.4-76.5-176.6175.8-179.40113.6L8K4-L8 PolarHBondContact O-N 2.91Å; K4-L8 VanDerWaalsContact O-N 3.14Å
5K50.4Low52Low151 Ų151115.3 Ų115.366%0.65760%0.602SS**Hα-helixtrans-74-37.1-179.3-67.5-175.2179.4-177.20112.2S3 S9S3-K5 PolarHBondContact O-N 3.3Å; K5-S9 PolarHBondContact O-N 3.29Å
6H48.5Very low52.3Low132 Ų132114.5 Ų114.561%0.61160%0.598SS**Hα-helixtrans-68.5-38.9173.1-109.4-87000112S9 H10H6-S9 PolarHBondContact O-N 3.41Å; H6-H10 PolarHBondContact O-CD2 2.84Å; H6-H10 PolarHBondContact O-N 2.96Å; H6-H10 VanDerWaalsContact O-N 3.11Å
7C48.3Very low52.4Low79 Ų79112.9 Ų112.953%0.53459%0.594SS.*Hα-helixtrans-62.4-45.9176.7-169.80000112S3 S9 H10 T11S3-C7 PolarHBondContact O-N 3.15Å; C7-S9 VanDerWaalsContact C-N 3.32Å; C7-S9 PolarHBondContact O-N 3.04Å; C7-H10 PolarHBondContact O-N 2.75Å; C7-T11 WeakPolarHBondContact O-CG2 3.46Å; C7-T11 PolarHBondContact O-N 3.37Å; C7-T11 PolarHBondContact O-OG1 2.82Å; C7-T11 VanDerWaalsContact O-OG1 3.1Å
8L53.1Low52.2Low109 Ų109111.7 Ų111.757%0.57160%0.595SS**Hα-helixtrans-65.6-29.4177.9-91.6154000114.4K4 T11 L12K4-L8 PolarHBondContact O-N 2.91Å; K4-L8 VanDerWaalsContact O-N 3.14Å; L8-T11 WeakPolarHBondContact CA-OG1 3.46Å; L8-T11 PolarHBondContact O-OG1 3.4Å; L8-T11 VanDerWaalsContact O-OG1 3.1Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.11Å
9S59.7Low51.8Low63 Ų63115.2 Ų115.244%0.44160%0.599SS.*Hα-helixtrans-76.1-40.6177-162.80000111.5K5 H6 C7 L12 L13K5-S9 PolarHBondContact O-N 3.29Å; H6-S9 PolarHBondContact O-N 3.41Å; C7-S9 VanDerWaalsContact C-N 3.32Å; C7-S9 PolarHBondContact O-N 3.04Å; S9-L12 PolarHBondContact O-N 3.38Å; S9-L13 PolarHBondContact O-N 3.44Å; S9-L13 VanDerWaalsContact O-N 3.09Å
10H56.3Low51.5Low110 Ų110115 Ų11551%0.50960%0.603SS.*Hα-helixtrans-70.9-35.9177-86.1-80.8000112.7H6 C7 L12 L13 L14H6-H10 PolarHBondContact O-CD2 2.84Å; H6-H10 PolarHBondContact O-N 2.96Å; H6-H10 VanDerWaalsContact O-N 3.11Å; C7-H10 PolarHBondContact O-N 2.75Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.03Å; H10-L13 PolarHBondContact O-N 2.87Å; H10-L14 WeakPolarHBondContact O-CB 3.42Å; H10-L14 WeakPolarHBondContact O-CG 3.44Å; H10-L14 PolarHBondContact O-N 2.85Å
11T57.2Low50.8Low65 Ų65113.3 Ų113.340%0.39961%0.606SS.*Hα-helixtrans-67-34.5174.852.40000112.5C7 L8 L15C7-T11 WeakPolarHBondContact O-CG2 3.46Å; C7-T11 PolarHBondContact O-N 3.37Å; C7-T11 PolarHBondContact O-OG1 2.82Å; C7-T11 VanDerWaalsContact O-OG1 3.1Å; L8-T11 WeakPolarHBondContact CA-OG1 3.46Å; L8-T11 PolarHBondContact O-OG1 3.4Å; L8-T11 VanDerWaalsContact O-OG1 3.1Å; T11-L15 PolarHBondContact O-N 2.87Å; T11-L15 VanDerWaalsContact O-N 3.12Å
12L61Low50.9Low44 Ų44110.8 Ų110.823%0.2360%0.597CS.*Hα-helixtrans-72.5-36.7176.5-17167.1000111.8L8 S9 H10 L15 L16L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 3.11Å; S9-L12 PolarHBondContact O-N 3.38Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.03Å; L12-L15 PolarHBondContact O-N 2.89Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.02Å
13L61.9Low51Low106 Ų106107.1 Ų107.156%0.55560%0.596SS**Hα-helixtrans-68.4-40174.7-155.680.9000111.5S9 H10 L16 V17S9-L13 PolarHBondContact O-N 3.44Å; S9-L13 VanDerWaalsContact O-N 3.09Å; H10-L13 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.29Å; L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.44Å
14L57Low50.8Low110 Ų110106.2 Ų106.258%0.57660%0.595SS**Hα-helixtrans-63.1-40.2174.5-81.9160.1000112.3H10 L16 V17 C18H10-L14 WeakPolarHBondContact O-CB 3.42Å; H10-L14 WeakPolarHBondContact O-CG 3.44Å; H10-L14 PolarHBondContact O-N 2.85Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 2.85Å; L14-V17 PolarHBondContact O-N 2.89Å; L14-C18 WeakPolarHBondContact O-CB 3.33Å; L14-C18 PolarHBondContact O-N 2.93Å; L14-C18 PolarHBondContact O-SG 3.46Å
15L57.9Low50.3Low113 Ų113106.7 Ų106.759%0.59259%0.593SS**Hα-helixtrans-64.8-34175.3-83161000113.1T11 L12T11-L15 PolarHBondContact O-N 2.87Å; T11-L15 VanDerWaalsContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 2.89Å
16L58Low49.9Very low103 Ų103106.7 Ų106.754%0.53960%0.601SS.*Hα-helixtrans-75.9-33.7175.8-74.4165.6000112.6L12 L13 L14L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.29Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 2.85Å
17V53.4Low49.2Very low88 Ų88107.3 Ų107.353%0.53361%0.608SS.*Hα-helixtrans-79.9-26.8178.1177.20000111.9L13 L14 W19 T20L13-V17 VanDerWaalsContact O-CG2 3.24Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.44Å; L14-V17 PolarHBondContact O-N 2.89Å; V17-W19 PolarHBondContact O-N 2.93Å; V17-W19 VanDerWaalsContact O-N 3.15Å; V17-T20 PolarHBondContact O-N 2.93Å; V17-T20 VanDerWaalsContact O-N 3.15Å; V17-T20 PolarHBondContact O-OG1 2.88Å
18C48.1Very low49Very low90 Ų90107.4 Ų107.461%0.60861%0.61SS**THydrogen-bonded Turntrans-66-11.4171.7-74.10000113.8L14L14-C18 WeakPolarHBondContact O-CB 3.33Å; L14-C18 PolarHBondContact O-N 2.93Å; L14-C18 PolarHBondContact O-SG 3.46Å
19W45Very low48.2Very low179 Ų179110.8 Ų110.868%0.67862%0.623SS**THydrogen-bonded Turntrans-88.3-5.6175-72.517.6000113.4V17V17-W19 PolarHBondContact O-N 2.93Å; V17-W19 VanDerWaalsContact O-N 3.15Å
20T45.6Very low47.5Very low111 Ų111112.7 Ų112.768%0.68164%0.643SS**  trans-103.229.1176.563.60000112.9V17V17-T20 PolarHBondContact O-N 2.93Å; V17-T20 VanDerWaalsContact O-N 3.15Å; V17-T20 PolarHBondContact O-OG1 2.88Å
21A38.1Very low46.4Very low80 Ų80110.7 Ų110.766%0.66165%0.651SS**SBendtrans-95.998172.200000110.2G23A21-G23 PolarHBondContact O-N 2.86Å
22D47.5Very low45.4Very low166 Ų166112.5 Ų112.589%0.88867%0.667SS**  trans29.878.1157-67.8-32.4000117.8
23G40.6Very low44.6Very low75 Ų75120.1 Ų120.177%0.77370%0.698SS**  trans-95.785.6147.900000108.7A21 Y25A21-G23 PolarHBondContact O-N 2.86Å; G23-Y25 VanDerWaalsContact C-N 3.25Å; G23-Y25 PolarHBondContact O-N 2.81Å
24A33.5Very low43.4Very low88 Ų88120.4 Ų120.473%0.72771%0.705SS**  trans-59.296.3163.400000107.8N26A24-N26 PolarHBondContact O-N 2.91Å; A24-N26 VanDerWaalsContact O-N 3.12Å
25Y36.3Very low43Very low178 Ų178123.4 Ų123.470%0.69872%0.716SS**  trans-68.8101.6175.5-174.3-96.2000107.4G23 S28G23-Y25 VanDerWaalsContact C-N 3.25Å; G23-Y25 PolarHBondContact O-N 2.81Å; Y25-S28 PolarHBondContact OH-OG 3.22Å
26N41.9Very low41.9Very low151 Ų151125.6 Ų125.681%0.80773%0.728SS**  trans-71.2132.3166.9-75.6-28.4000108.6A24A24-N26 PolarHBondContact O-N 2.91Å; A24-N26 VanDerWaalsContact O-N 3.12Å
27D33.3Very low40.7Very low145 Ų145124.6 Ų124.678%0.77573%0.734SS**  trans-42140.3-169.2-95.5-42.6000115.9E29D27-E29 PolarHBondContact O-N 3.36Å
28S44Very low40.3Very low82 Ų82126.9 Ų126.957%0.57375%0.75SS**  trans-74.693.7158.6-600000109.1Y25 A30Y25-S28 PolarHBondContact OH-OG 3.22Å; S28-A30 PolarHBondContact O-N 3.31Å
29E36.5Very low39.7Very low180 Ų180129.1 Ų129.184%0.84176%0.761SS**  trans-83.296.1157.4-75.5-164.9116.100108.9D27 G31D27-E29 PolarHBondContact O-N 3.36Å; E29-G31 PolarHBondContact O-N 3.48Å
30A44.2Very low39.4Very low103 Ų103125 Ų12585%0.85177%0.765SS**  trans-63.281.3148.600000107.7S28 S32S28-A30 PolarHBondContact O-N 3.31Å; A30-S32 PolarHBondContact O-N 2.94Å
31G33.9Very low39.6Very low67 Ų67124 Ų12469%0.69176%0.763SS**  trans-79.197.5-178.600000111.3E29 F33E29-G31 PolarHBondContact O-N 3.48Å; G31-F33 PolarHBondContact O-N 2.04Å
32S36.4Very low40.4Very low104 Ų104124.3 Ų124.373%0.72776%0.76SS**  trans-50.2131.7160.7-178.60000110.3A30 T34A30-S32 PolarHBondContact O-N 2.94Å; S32-T34 PolarHBondContact O-N 3.5Å
33F44.4Very low41.7Very low203 Ų203121.2 Ų121.289%0.8974%0.736SS**  trans-57.9102.7175.5-156.4-92.1000109.5G31G31-F33 PolarHBondContact O-N 2.04Å
34T35.3Very low44Very low113 Ų113124 Ų12469%0.69372%0.724SS**  trans-135.8110.5166.2-34.80000108.2S32 L36S32-T34 PolarHBondContact O-N 3.5Å; T34-L36 PolarHBondContact O-N 2.74Å
35E48.7Very low46.8Very low173 Ų173121.5 Ų121.581%0.80870%0.698SS**  trans-56.9123.3174.1-175.1-176.6136.700110.9
36L34.8Very low49.5Very low159 Ų159118.5 Ų118.583%0.83269%0.694SS**  trans-150.8114.6164.2-95.5142.6000109.6T34T34-L36 PolarHBondContact O-N 2.74Å
37A34.4Very low51.9Low82 Ų82111.5 Ų111.568%0.67866%0.657SS**  trans11.8147.5164.700000122.6V39A37-V39 PolarHBondContact O-N 3.41Å
38P44.5Very low54.7Low135 Ų135111 Ų11188%0.87765%0.647SS**  trans-79.5113.8-169.533.4-32.3000112
39V35.1Very low56.9Low137 Ų137108.9 Ų108.983%0.8363%0.629SS**  trans-91.6124.4166.2-179.90000108.4A37 S41A37-V39 PolarHBondContact O-N 3.41Å; V39-S41 PolarHBondContact O-N 3.17Å
40A38.5Very low59.5Low93 Ų93102.8 Ų102.877%0.76961%0.614SS**SBendtrans11.598.1171.900000116.3S42A40-S42 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 3.1Å
41S50Low61.7Low90 Ų9099.9 Ų99.963%0.62959%0.587SS**  trans-52.572.6-174.1174.90000116.1V39 R43V39-S41 PolarHBondContact O-N 3.17Å; S41-R43 VanDerWaalsContact C-N 3.29Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-R43 WeakPolarHBondContact OG-CG 3.32Å
42S54.3Low64.6Low86 Ų86100.8 Ų100.860%0.60158%0.584SS**  trans-79.182.4153.9-172.80000107.8A40 Y44A40-S42 VanDerWaalsContact C-N 3.33Å; A40-S42 PolarHBondContact O-N 3.1Å; S42-Y44 PolarHBondContact O-N 2.82Å
43R75.8Confident67.3Low101 Ų10197.9 Ų97.938%0.38156%0.559SS.*  trans-70.6103.8-179.6-58.2-158.7-76.6-136.31.8108.6S41 N58 Y119 V121 I122S41-R43 VanDerWaalsContact C-N 3.29Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-R43 WeakPolarHBondContact OG-CG 3.32Å; R43-N58 PolarHBondContact NH2-ND2 2.99Å; R43-Y119 PolarHBondContact NE-OH 3.19Å; R43-Y119 PolarHBondContact NH2-OH 2.96Å; R43-V121 VanDerWaalsContact O-CG2 3.25Å; R43-V121 WeakPolarHBondContact O-CG2 3.18Å; R43-I122 PolarHBondContact O-N 3.2Å
44Y88.3Confident69.6Low134 Ų13492.5 Ų92.553%0.52554%0.539SS..EExtended strand (participates in β ladder)trans-90.7142.815965.1-89.2000108.3S42 I122 R124S42-Y44 PolarHBondContact O-N 2.82Å; Y44-I122 CarbonylContact C-O 3.51Å; Y44-I122 WeakPolarHBondContact CA-O 3.29Å; Y44-R124 HydrophobicContact CD2-CG 4.44Å
45I92.1Very high72.4Confident36 Ų3687.3 Ų87.319%0.18551%0.507CS..EExtended strand (participates in β ladder)trans-114.3142.217457.4176.4000108.1M53 I55 V121 I122 L123 R124I45-M53 HydrophobicContact CB-CE 4.04Å; I45-M53 HydrophobicContact CD1-CE 3.91Å; I45-M53 HydrophobicContact CG1-CE 4.36Å; I45-I55 HydrophobicContact CD1-CB 4.35Å; I45-I55 HydrophobicContact CD1-CD1 3.66Å; I45-I55 HydrophobicContact CD1-CG1 3.59Å; I45-I55 HydrophobicContact CD1-CG2 4.02Å; I45-V121 HydrophobicContact CB-CG2 4.43Å; I45-V121 HydrophobicContact CD1-CG1 4.4Å; I45-V121 HydrophobicContact CD1-CG2 4.01Å; I45-V121 HydrophobicContact CG1-CG2 3.92Å; I45-V121 HydrophobicContact CG2-CG2 3.82Å; I45-I122 PolarHBondContact N-O 2.8Å; I45-L123 HydrophobicContact CD1-CD1 3.9Å; I45-L123 HydrophobicContact CG1-CB 4.41Å; I45-L123 HydrophobicContact CG1-CD1 3.78Å; I45-R124 PolarHBondContact O-N 2.82Å
46L92.3Very high74.4Confident115 Ų11586.1 Ų86.160%0.60250%0.501SS*.EExtended strand (participates in β ladder)trans-107.4121.8-178.6-174.164.5000109.4R124 A126L46-R124 WeakPolarHBondContact CA-O 3.23Å; L46-R124 HydrophobicContact CD1-CB 3.93Å; L46-A126 HydrophobicContact CD1-CB 4.04Å; L46-A126 HydrophobicContact CG-CB 4.46Å
47A92.9Very high77Confident4 Ų479.1 Ų79.13%0.03347%0.465CS..EExtended strand (participates in β ladder)trans-114.9147.1172.500000110.2M53 V97 L123 R124 V125 A126A47-M53 HydrophobicContact CB-CB 4.15Å; A47-M53 HydrophobicContact CB-CG 4.08Å; A47-M53 HydrophobicContact CB-SD 4.4Å; A47-V97 HydrophobicContact CB-CB 4.48Å; A47-V97 HydrophobicContact CB-CG1 3.99Å; A47-V97 HydrophobicContact CB-CG2 4.09Å; A47-L123 HydrophobicContact CB-CD1 3.76Å; A47-R124 PolarHBondContact N-O 2.88Å; A47-V125 CarbonylContact O-C 3.58Å; A47-V125 VanDerWaalsContact O-CA 3.29Å; A47-V125 WeakPolarHBondContact O-CA 3.29Å; A47-A126 PolarHBondContact O-N 3.3Å
48K91.6Very high79.5Confident133 Ų13380.3 Ų80.358%0.57846%0.46SS*.EExtended strand (participates in β ladder)trans-85.9138.7173.1-175.7178.8173.6-178.30108.7G50 S51 T128K48-G50 PolarHBondContact O-N 3.49Å; K48-S51 PolarHBondContact O-N 3.2Å; K48-S51 PolarHBondContact O-OG 2.95Å; K48-T128 HydrophobicContact CD-CG2 3.79Å; K48-T128 HydrophobicContact CG-CG2 3.19Å
49E91.4Very high81.5Confident39 Ų3975.3 Ų75.318%0.18243%0.428CS..THydrogen-bonded Turntrans-59.8138.8171.4-178.1168.9-131.900110.9S51 F99 V125 A126 Y127 T128E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3.46Å; E49-F99 PolarHBondContact OE1-N 2.99Å; E49-V125 HydrophobicContact CB-CG1 4.02Å; E49-A126 PolarHBondContact N-O 3.27Å; E49-Y127 WeakPolarHBondContact OE2-CD2 3.25Å; E49-Y127 VanDerWaalsContact OE2-CE2 3.27Å; E49-Y127 WeakPolarHBondContact OE2-CE2 3.16Å; E49-T128 HydrophobicContact CB-CG2 4.2Å; E49-T128 WeakPolarHBondContact O-CG2 3.42Å
50G90.3Very high83.5Confident52 Ų5270.6 Ų70.654%0.53640%0.399SS..THydrogen-bonded Turntrans80.1-10.1-175.100000115.5K48 V97K48-G50 PolarHBondContact O-N 3.49Å; G50-V97 PolarHBondContact N-O 3.35Å
51S91.5Very high85.1Confident41 Ų4171.2 Ų71.229%0.28739%0.389SS..SBendtrans-86.9161.7175.671.30000112.4K48 E49 V97K48-S51 PolarHBondContact O-N 3.2Å; K48-S51 PolarHBondContact O-OG 2.95Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 3.46Å; S51-V97 WeakPolarHBondContact O-CB 3.41Å; S51-V97 VanDerWaalsContact O-CG2 3.29Å; S51-V97 WeakPolarHBondContact O-CG2 3.45Å; S51-V97 PolarHBondContact O-N 2.77Å
52S93.3Very high85.8Confident87 Ų8774.2 Ų74.261%0.60840%0.403SS*.  trans-83.2143.1165.258.50000110.9I94 S95S52-I94 CarbonylContact C-O 3.54Å; S52-I94 VanDerWaalsContact CA-O 3.23Å; S52-I94 WeakPolarHBondContact CA-O 3.41Å; S52-S95 VanDerWaalsContact CA-O 3.29Å; S52-S95 WeakPolarHBondContact CA-O 3.4Å; S52-S95 WeakPolarHBondContact CB-O 3.36Å
53M93.6Very high86.2Confident42 Ų4278.6 Ų78.621%0.20741%0.414CS..EExtended strand (participates in β ladder)trans-134.5139.8179.8-177.563.7-177.500111.4I45 A47 I55 I94 V97I45-M53 HydrophobicContact CB-CE 4.04Å; I45-M53 HydrophobicContact CD1-CE 3.91Å; I45-M53 HydrophobicContact CG1-CE 4.36Å; A47-M53 HydrophobicContact CB-CB 4.15Å; A47-M53 HydrophobicContact CB-CG 4.08Å; A47-M53 HydrophobicContact CB-SD 4.4Å; M53-I55 HydrophobicContact CG-CG1 4.38Å; M53-I94 PolarHBondContact N-O 3.19Å; M53-I94 PolarHBondContact O-N 3.02Å; M53-V97 HydrophobicContact CB-CG2 3.82Å
54L94Very high86.3Confident90 Ų9075 Ų7547%0.47140%0.402SS..EExtended strand (participates in β ladder)trans-108.3133.8174.5-59.3-176.4000110.4V91 L92 N93L54-V91 HydrophobicContact CB-CG1 4.13Å; L54-L92 CarbonylContact C-O 3.56Å; L54-L92 WeakPolarHBondContact CA-O 3.27Å; L54-N93 HydrophobicContact CD2-CB 3.61Å
55I93.1Very high86.2Confident4 Ų473.6 Ų73.62%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-122.6111.3179.4-49.6-177.6000108.6I45 M53 W68 L92 I94 Y105 V121I45-I55 HydrophobicContact CD1-CB 4.35Å; I45-I55 HydrophobicContact CD1-CD1 3.66Å; I45-I55 HydrophobicContact CD1-CG1 3.59Å; I45-I55 HydrophobicContact CD1-CG2 4.02Å; M53-I55 HydrophobicContact CG-CG1 4.38Å; I55-W68 HydrophobicContact CB-CH2 4.23Å; I55-W68 HydrophobicContact CB-CZ2 4.47Å; I55-W68 HydrophobicContact CG2-CH2 3.44Å; I55-W68 VanDerWaalsContact CG2-CH2 3.44Å; I55-W68 HydrophobicContact CG2-CZ2 4.09Å; I55-W68 HydrophobicContact CG2-CZ3 4.05Å; I55-W68 WeakPolarHBondContact O-CZ2 3.39Å; I55-L92 HydrophobicContact CB-CB 4.23Å; I55-L92 HydrophobicContact CD1-CD2 4.2Å; I55-L92 PolarHBondContact N-O 3.24Å; I55-L92 PolarHBondContact O-N 2.77Å; I55-I94 HydrophobicContact CD1-CD1 3.89Å; I55-Y105 HydrophobicContact CD1-CG 4.44Å; I55-V121 HydrophobicContact CG2-CG1 3.68Å
56E91.3Very high86.2Confident148 Ų14872.5 Ų72.569%0.69240%0.398SS*.  trans-81.3138.7177.2-64.4-179.1179.400111.3V91 Y119E56-V91 HydrophobicContact CG-CG1 4.38Å; E56-V91 HydrophobicContact CG-CG2 4.26Å; E56-Y119 WeakPolarHBondContact O-CE1 3.1Å
57C89.8Confident86.2Confident12 Ų1271.7 Ų71.78%0.08139%0.387CS..  trans-91.1107.7175-176.60000109.2V59 T60 V66 W68 C107C57-V59 PolarHBondContact O-N 2.82Å; C57-V59 WeakPolarHBondContact SG-CG2 3.08Å; C57-T60 VanDerWaalsContact CB-OG1 3.27Å; C57-T60 WeakPolarHBondContact CB-OG1 3.31Å; C57-T60 PolarHBondContact O-N 2.97Å; C57-T60 PolarHBondContact O-OG1 3.18Å; C57-T60 PolarHBondContact SG-OG1 2.69Å; C57-T60 VanDerWaalsContact SG-OG1 3.36Å; C57-V66 HydrophobicContact CB-CG1 4.29Å; C57-W68 HydrophobicContact CB-CH2 4.46Å; C57-W68 HydrophobicContact CB-CZ2 3.73Å; C57-C107 VanDerWaalsContact CA-SG 3.6Å; C57-C107 HydrophobicContact CB-CB 3.78Å; C57-C107 WeakPolarHBondContact CB-SG 3.27Å; C57-C107 WeakPolarHBondContact SG-CB 3.02Å; C57-C107 CovalentContact SG-SG 2.04Å; C57-C107 PolarHBondContact SG-SG 3.33Å
58N87Confident86.3Confident107 Ų10771.5 Ų71.557%0.57239%0.386SS*.THydrogen-bonded Turntrans-79.527.4-175.1-166.450.8000114R43 Y119R43-N58 PolarHBondContact NH2-ND2 2.99Å; N58-Y119 HydrophobicContact CB-CD1 4.26Å; N58-Y119 HydrophobicContact CB-CD2 3.95Å; N58-Y119 HydrophobicContact CB-CE1 4.21Å; N58-Y119 HydrophobicContact CB-CE2 3.94Å; N58-Y119 HydrophobicContact CB-CG 4.12Å
59V85.6Confident86.4Confident31 Ų3168 Ų6819%0.18837%0.37CS..THydrogen-bonded Turntrans-130.24.2175.1-68.70000111.8C57 A109 R117C57-V59 PolarHBondContact O-N 2.82Å; C57-V59 WeakPolarHBondContact SG-CG2 3.08Å; V59-A109 HydrophobicContact CG2-CB 3.97Å; V59-R117 HydrophobicContact CB-CB 3.87Å; V59-R117 HydrophobicContact CG1-CB 4.13Å; V59-R117 HydrophobicContact CG2-CB 4.24Å
60T76.8Confident86.6Confident37 Ų3767.1 Ų67.123%0.22737%0.366CS..  trans-86.5115.9-173.7-49.80000112.3C57 E64 V66 K89C57-T60 VanDerWaalsContact CB-OG1 3.27Å; C57-T60 WeakPolarHBondContact CB-OG1 3.31Å; C57-T60 PolarHBondContact O-N 2.97Å; C57-T60 PolarHBondContact O-OG1 3.18Å; C57-T60 PolarHBondContact SG-OG1 2.69Å; C57-T60 VanDerWaalsContact SG-OG1 3.36Å; T60-E64 WeakPolarHBondContact CA-OE2 3.02Å; T60-V66 HydrophobicContact CG2-CG2 3.56Å; T60-K89 WeakPolarHBondContact CG2-O 3.33Å
61D72.6Confident86.6Confident107 Ų10767.9 Ų67.957%0.57236%0.363SS*.  trans-96.9169.7165.3-73.3-37.7000111.6Q63 E64D61-Q63 PolarHBondContact O-N 2.71Å; D61-E64 HydrophobicContact CB-CG 4.31Å; D61-E64 PolarHBondContact N-OE2 3.06Å; D61-E64 PolarHBondContact O-N 2.59Å
62V64.6Low86.6Confident152 Ų15274.5 Ų74.592%0.92139%0.387SS*.THydrogen-bonded Turntrans-59.8-11.2-166.7178.60000115.6
63Q62Low86.4Confident178 Ų17872.9 Ų72.983%0.83238%0.383SS*.THydrogen-bonded Turntrans-136.636.7-176.8-73.9-176.6-16.600113.9D61D61-Q63 PolarHBondContact O-N 2.71Å
64E78.4Confident86.3Confident26 Ų2675.6 Ų75.612%0.12140%0.398CS..EExtended strand (participates in β ladder)trans-108.4139.2-179.4-61.2-174.1145.800112.8T60 D61 A109 S110 T111 R117T60-E64 WeakPolarHBondContact CA-OE2 3.02Å; D61-E64 HydrophobicContact CB-CG 4.31Å; D61-E64 PolarHBondContact N-OE2 3.06Å; D61-E64 PolarHBondContact O-N 2.59Å; E64-A109 HydrophobicContact CB-CB 4.19Å; E64-A109 WeakPolarHBondContact OE2-CB 3.4Å; E64-S110 WeakPolarHBondContact CA-O 3.13Å; E64-T111 PolarHBondContact OE1-OG1 3.48Å; E64-R117 IonicContact OE1-NH1 2.76Å; E64-R117 PolarHBondContact OE1-NH1 2.97Å
65D86.8Confident86.3Confident104 Ų10474.5 Ų74.556%0.55639%0.393SS*.EExtended strand (participates in β ladder)trans-80.6115.4169.117834.3000109.1A109 S110D65-A109 WeakPolarHBondContact O-CA 3.36Å; D65-S110 PolarHBondContact N-O 3.09Å; D65-S110 PolarHBondContact O-N 2.92Å
66V90.8Very high86.3Confident13 Ų1374.6 Ų74.68%0.07939%0.393CS..EExtended strand (participates in β ladder)trans-107121.3-173.8-177.20000110.7C57 T60 C107 A109C57-V66 HydrophobicContact CB-CG1 4.29Å; T60-V66 HydrophobicContact CG2-CG2 3.56Å; V66-C107 HydrophobicContact CG1-CB 4.17Å; V66-A109 HydrophobicContact CG2-CB 4.16Å
67R92.6Very high86Confident98 Ų9869.2 Ų69.237%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-115137.8175.7-69-178.8-69.7169.6-1.7110.9Y69 L75 C107 V108R67-Y69 HydrophobicContact CB-CE2 4.01Å; R67-L75 HydrophobicContact CB-CD1 3.82Å; R67-L75 HydrophobicContact CG-CD1 4.18Å; R67-C107 CarbonylContact O-C 3.23Å; R67-C107 VanDerWaalsContact O-CA 3.31Å; R67-C107 WeakPolarHBondContact O-CA 3.08Å; R67-V108 PolarHBondContact N-O 2.86Å; R67-V108 PolarHBondContact O-N 2.96Å
68W94.6Very high85.7Confident0 Ų077.1 Ų77.10%041%0.41CS..EExtended strand (participates in β ladder)trans-110.9139.1-179.7-82.395.2000112.3I55 C57 L75 L76 G90 L92 C107 V121I55-W68 HydrophobicContact CB-CH2 4.23Å; I55-W68 HydrophobicContact CB-CZ2 4.47Å; I55-W68 HydrophobicContact CG2-CH2 3.44Å; I55-W68 VanDerWaalsContact CG2-CH2 3.44Å; I55-W68 HydrophobicContact CG2-CZ2 4.09Å; I55-W68 HydrophobicContact CG2-CZ3 4.05Å; I55-W68 WeakPolarHBondContact O-CZ2 3.39Å; C57-W68 HydrophobicContact CB-CH2 4.46Å; C57-W68 HydrophobicContact CB-CZ2 3.73Å; W68-L75 WeakPolarHBondContact O-CA 3.34Å; W68-L76 HydrophobicContact CB-CB 4.1Å; W68-L76 HydrophobicContact CB-CD1 4.25Å; W68-L76 HydrophobicContact CB-CG 4.47Å; W68-L76 PolarHBondContact O-N 2.86Å; W68-G90 PolarHBondContact NE1-O 3.31Å; W68-L92 HydrophobicContact CB-CD2 4.32Å; W68-L92 HydrophobicContact CD2-CB 3.83Å; W68-L92 HydrophobicContact CD2-CD2 3.86Å; W68-L92 HydrophobicContact CD2-CG 4.41Å; W68-L92 HydrophobicContact CE3-CD2 3.9Å; W68-L92 HydrophobicContact CG-CB 3.98Å; W68-L92 HydrophobicContact CG-CD1 4.48Å; W68-L92 HydrophobicContact CG-CD2 4.08Å; W68-L92 HydrophobicContact CG-CG 4.42Å; W68-L92 HydrophobicContact CZ2-CB 4.07Å; W68-C107 HydrophobicContact CD2-CB 3.63Å; W68-C107 HydrophobicContact CE3-CB 3.78Å; W68-C107 HydrophobicContact CG-CB 4.31Å; W68-C107 HydrophobicContact CH2-CB 3.74Å; W68-C107 HydrophobicContact CZ2-CB 3.62Å; W68-C107 HydrophobicContact CZ3-CB 3.82Å; W68-V121 HydrophobicContact CZ3-CG1 4.45Å
69Y94.8Very high85.4Confident61 Ų6179.2 Ų79.224%0.23942%0.417CS..EExtended strand (participates in β ladder)trans-125.7137.8177.1-60-91.3000110.4R67 L74 L75 Y105 T106 V108R67-Y69 HydrophobicContact CB-CE2 4.01Å; Y69-L74 WeakPolarHBondContact CA-O 3.34Å; Y69-L75 HydrophobicContact CD1-CB 4.43Å; Y69-L75 HydrophobicContact CE1-CB 4.11Å; Y69-L75 HydrophobicContact CE1-CD1 3.99Å; Y69-L75 HydrophobicContact CE2-CD1 4.37Å; Y69-Y105 WeakPolarHBondContact O-CA 3.44Å; Y69-T106 PolarHBondContact N-O 3.47Å; Y69-T106 PolarHBondContact O-N 3.42Å; Y69-V108 HydrophobicContact CD2-CG2 3.9Å; Y69-V108 HydrophobicContact CE2-CB 4.19Å; Y69-V108 HydrophobicContact CE2-CG2 3.68Å
70N94.3Very high85.1Confident19 Ų1987.2 Ų87.210%0.10245%0.452CS..  trans-86.7-177.2171.770.511.1000112.1K72 G73 L74 L76 R104 Y105N70-K72 PolarHBondContact O-N 3.42Å; N70-K72 VanDerWaalsContact O-N 3.08Å; N70-K72 WeakPolarHBondContact OD1-CA 3.31Å; N70-K72 WeakPolarHBondContact OD1-CB 3.35Å; N70-K72 PolarHBondContact OD1-N 2.77Å; N70-G73 PolarHBondContact O-N 3.08Å; N70-G73 PolarHBondContact OD1-N 3.48Å; N70-L74 PolarHBondContact N-O 3.33Å; N70-L74 WeakPolarHBondContact OD1-CB 3.34Å; N70-L74 PolarHBondContact OD1-N 2.87Å; N70-L76 HydrophobicContact CB-CD1 4.21Å; N70-L76 HydrophobicContact CB-CD2 4.11Å; N70-L76 HydrophobicContact CB-CG 4.46Å; N70-R104 CarbonylContact C-O 3.58Å; N70-R104 VanDerWaalsContact C-O 3.23Å; N70-Y105 HydrophobicContact CB-CD1 4.37Å; N70-Y105 HydrophobicContact CB-CE1 3.99Å
71S90.9Very high85.2Confident69 Ų6988.8 Ų88.848%0.48348%0.475SS..THydrogen-bonded Turntrans-61.9-18.1-179.6560000114.2R104S71-R104 WeakPolarHBondContact CA-O 3.29Å; S71-R104 PolarHBondContact N-O 2.92Å
72K90.8Very high85.9Confident180 Ų18084.4 Ų84.478%0.78346%0.456SS*.THydrogen-bonded Turntrans-93.70.5177.2-55.1-179.7-178.2178.40112.6N70 L74N70-K72 PolarHBondContact O-N 3.42Å; N70-K72 VanDerWaalsContact O-N 3.08Å; N70-K72 WeakPolarHBondContact OD1-CA 3.31Å; N70-K72 WeakPolarHBondContact OD1-CB 3.35Å; N70-K72 PolarHBondContact OD1-N 2.77Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.94Å
73G89.8Confident87.2Confident52 Ų5279.9 Ų79.954%0.53642%0.424SS..  trans75.513.3-175.100000114.1N70N70-G73 PolarHBondContact O-N 3.08Å; N70-G73 PolarHBondContact OD1-N 3.48Å
74L91.8Very high88.7Confident99 Ų9974.3 Ų74.352%0.51840%0.395SS..PPolyproline II helixtrans-78.4130.2178.2-177.967.4000110.4Y69 N70 K72 L76Y69-L74 WeakPolarHBondContact CA-O 3.34Å; N70-L74 PolarHBondContact N-O 3.33Å; N70-L74 WeakPolarHBondContact OD1-CB 3.34Å; N70-L74 PolarHBondContact OD1-N 2.87Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.94Å; L74-L76 PolarHBondContact O-N 3.41Å
75L93.3Very high89.4Confident68 Ų6877 Ų7736%0.35641%0.407SS..BIsolated β-bridgetrans-67.7123171-178.867.9000110.1R67 W68 Y69R67-L75 HydrophobicContact CB-CD1 3.82Å; R67-L75 HydrophobicContact CG-CD1 4.18Å; W68-L75 WeakPolarHBondContact O-CA 3.34Å; Y69-L75 HydrophobicContact CD1-CB 4.43Å; Y69-L75 HydrophobicContact CE1-CB 4.11Å; Y69-L75 HydrophobicContact CE1-CD1 3.99Å; Y69-L75 HydrophobicContact CE2-CD1 4.37Å
76L93.1Very high89.6Confident5 Ų575.1 Ų75.13%0.02640%0.397CS..PPolyproline II helixtrans-92.7157.4-178.3-53.8-179.4000111.2W68 N70 L74 K78 W84 L92 Y105W68-L76 HydrophobicContact CB-CB 4.1Å; W68-L76 HydrophobicContact CB-CD1 4.25Å; W68-L76 HydrophobicContact CB-CG 4.47Å; W68-L76 PolarHBondContact O-N 2.86Å; N70-L76 HydrophobicContact CB-CD1 4.21Å; N70-L76 HydrophobicContact CB-CD2 4.11Å; N70-L76 HydrophobicContact CB-CG 4.46Å; L74-L76 PolarHBondContact O-N 3.41Å; L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.16Å; L76-W84 HydrophobicContact CB-CB 4.03Å; L76-W84 HydrophobicContact CB-CG 4.29Å; L76-W84 HydrophobicContact CD1-CG 4.24Å; L76-W84 HydrophobicContact CD2-CD2 3.9Å; L76-W84 HydrophobicContact CD2-CE3 4.31Å; L76-W84 HydrophobicContact CD2-CG 4Å; L76-W84 HydrophobicContact CG-CG 4.41Å; L76-L92 HydrophobicContact CB-CD1 4.4Å; L76-L92 HydrophobicContact CD1-CD1 4.29Å; L76-L92 HydrophobicContact CD1-CD2 3.77Å; L76-Y105 HydrophobicContact CD1-CD1 3.72Å; L76-Y105 HydrophobicContact CD1-CE1 3.61Å
77G86.3Confident89.5Confident35 Ų3578.7 Ų78.736%0.36141%0.413SS..SBendtrans77.111174.500000115.9W84G77-W84 WeakPolarHBondContact CA-O 3.24Å
78K82.8Confident88.9Confident179 Ų17982.3 Ų82.378%0.77843%0.434SS*.  trans-74.9-26.5176.6-169.1179.1179.2-175.50113.3L76L76-K78 VanDerWaalsContact C-N 3.34Å; L76-K78 PolarHBondContact O-N 3.16Å
79E81.4Confident88.2Confident150 Ų15090.9 Ų90.970%0.70147%0.471SS*.SBendtrans-97.4119.1-177.6-67.9176.6179.800110.2G81 G82E79-G81 PolarHBondContact O-N 2.76Å; E79-G82 PolarHBondContact O-N 2.89Å; E79-G82 VanDerWaalsContact O-N 3.11Å
80E78.2Confident87.8Confident200 Ų20088.3 Ų88.394%0.93546%0.463SS*.THydrogen-bonded Turntrans-61.6129.6172.9-70.6-173.6174.300110.3G82E80-G82 PolarHBondContact O-N 2.82Å
81G78.5Confident87.7Confident69 Ų6988.7 Ų88.771%0.71147%0.466SS*.THydrogen-bonded Turntrans73.25.6-176.600000114.9E79E79-G81 PolarHBondContact O-N 2.76Å
82G87.5Confident87.8Confident16 Ų1685.4 Ų85.417%0.16544%0.443CS..  trans-66.8171.417600000113.5E79 E80 W84 Q85E79-G82 PolarHBondContact O-N 2.89Å; E79-G82 VanDerWaalsContact O-N 3.11Å; E80-G82 PolarHBondContact O-N 2.82Å; G82-W84 VanDerWaalsContact C-N 3.26Å; G82-W84 PolarHBondContact O-N 2.88Å; G82-Q85 WeakPolarHBondContact O-CG 3.49Å
83K91.8Very high88Confident56 Ų5678.3 Ų78.324%0.24341%0.414CS..SBendtrans-57.4-38.6178.7172.6178.1175.4170.30113.3I94 S95 V96 S98 D101K83-I94 HydrophobicContact CG-CG2 4.39Å; K83-S95 WeakPolarHBondContact CA-OG 3.46Å; K83-S95 PolarHBondContact O-N 3.41Å; K83-S95 PolarHBondContact O-OG 3.37Å; K83-V96 WeakPolarHBondContact CE-O 3.45Å; K83-V96 PolarHBondContact NZ-O 2.88Å; K83-S98 PolarHBondContact NZ-OG 3.01Å; K83-S98 VanDerWaalsContact NZ-OG 3.1Å; K83-D101 WeakPolarHBondContact CE-OD1 3.41Å; K83-D101 WeakPolarHBondContact CE-OD2 3.36Å; K83-D101 IonicContact NZ-OD1 3.22Å; K83-D101 PolarHBondContact NZ-OD1 3.3Å; K83-D101 IonicContact NZ-OD2 2.73Å; K83-D101 PolarHBondContact NZ-OD2 3.46Å
84W94Very high88.2Confident62 Ų6275.9 Ų75.924%0.23539%0.388CS..EExtended strand (participates in β ladder)trans-102120.6178.7-59.5-84.9000109.1L76 G77 G82 L92 N93L76-W84 HydrophobicContact CB-CB 4.03Å; L76-W84 HydrophobicContact CB-CG 4.29Å; L76-W84 HydrophobicContact CD1-CG 4.24Å; L76-W84 HydrophobicContact CD2-CD2 3.9Å; L76-W84 HydrophobicContact CD2-CE3 4.31Å; L76-W84 HydrophobicContact CD2-CG 4Å; L76-W84 HydrophobicContact CG-CG 4.41Å; G77-W84 WeakPolarHBondContact CA-O 3.24Å; G82-W84 VanDerWaalsContact C-N 3.26Å; G82-W84 PolarHBondContact O-N 2.88Å; W84-L92 HydrophobicContact CB-CD1 4.06Å; W84-N93 WeakPolarHBondContact CA-O 3.41Å
85Q92.9Very high88.3Confident81 Ų8173.4 Ų73.438%0.37938%0.38SS..EExtended strand (participates in β ladder)trans-123.8138.6179-62.7178.3-20.800109.3G82 N93G82-Q85 WeakPolarHBondContact O-CG 3.49Å; Q85-N93 HydrophobicContact CB-CB 4.32Å; Q85-N93 PolarHBondContact N-O 2.89Å; Q85-N93 PolarHBondContact O-N 2.86Å
86I91.4Very high88.3Confident66 Ų6674.3 Ų74.334%0.33839%0.387SS..EExtended strand (participates in β ladder)trans-99.5117.1175.3-60173.9000106.9
87Q88.4Confident88.3Confident87 Ų8774.1 Ų74.141%0.40739%0.387SS..  trans-83.6177.1177.4-61.8-169.556.300111.4G90 V91 N93Q87-G90 PolarHBondContact O-N 2.83Å; Q87-G90 VanDerWaalsContact O-N 3.15Å; Q87-V91 HydrophobicContact CB-CB 4.34Å; Q87-V91 PolarHBondContact N-O 2.94Å; Q87-N93 HydrophobicContact CG-CB 4.18Å
88E80.3Confident88.5Confident174 Ų17474.3 Ų74.381%0.81338%0.383SS*.G310 helixtrans-51.8141.7169.7-62.9-179.1-17500110.8G90E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.67Å
89K78.9Confident88.8Confident181 Ų18170 Ų7079%0.78736%0.364SS*.G310 helixtrans65.221.7-175.1-47.6175.6-179.2176.90115T60 V91T60-K89 WeakPolarHBondContact CG2-O 3.33Å; K89-V91 VanDerWaalsContact C-N 3.33Å; K89-V91 PolarHBondContact O-N 3.46Å
90G87.4Confident89.3Confident7 Ų765.7 Ų65.77%0.07236%0.36CS..G310 helixtrans75.218.4169.600000115W68 Q87 E88W68-G90 PolarHBondContact NE1-O 3.31Å; Q87-G90 PolarHBondContact O-N 2.83Å; Q87-G90 VanDerWaalsContact O-N 3.15Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 2.67Å
91V91.4Very high89.9Confident27 Ų2756.7 Ų56.716%0.16432%0.319CS..PPolyproline II helixtrans-75.5126.1176.4-178.70000109.7L54 E56 Q87 K89L54-V91 HydrophobicContact CB-CG1 4.13Å; E56-V91 HydrophobicContact CG-CG1 4.38Å; E56-V91 HydrophobicContact CG-CG2 4.26Å; Q87-V91 HydrophobicContact CB-CB 4.34Å; Q87-V91 PolarHBondContact N-O 2.94Å; K89-V91 VanDerWaalsContact C-N 3.33Å; K89-V91 PolarHBondContact O-N 3.46Å
92L93.6Very high90.6Very high0 Ų060.4 Ų60.40%031%0.311CS..EExtended strand (participates in β ladder)trans-83.9118.3176.2173.765.5000110.3L54 I55 W68 L76 W84 I94 Y105L54-L92 CarbonylContact C-O 3.56Å; L54-L92 WeakPolarHBondContact CA-O 3.27Å; I55-L92 HydrophobicContact CB-CB 4.23Å; I55-L92 HydrophobicContact CD1-CD2 4.2Å; I55-L92 PolarHBondContact N-O 3.24Å; I55-L92 PolarHBondContact O-N 2.77Å; W68-L92 HydrophobicContact CB-CD2 4.32Å; W68-L92 HydrophobicContact CD2-CB 3.83Å; W68-L92 HydrophobicContact CD2-CD2 3.86Å; W68-L92 HydrophobicContact CD2-CG 4.41Å; W68-L92 HydrophobicContact CE3-CD2 3.9Å; W68-L92 HydrophobicContact CG-CB 3.98Å; W68-L92 HydrophobicContact CG-CD1 4.48Å; W68-L92 HydrophobicContact CG-CD2 4.08Å; W68-L92 HydrophobicContact CG-CG 4.42Å; W68-L92 HydrophobicContact CZ2-CB 4.07Å; L76-L92 HydrophobicContact CB-CD1 4.4Å; L76-L92 HydrophobicContact CD1-CD1 4.29Å; L76-L92 HydrophobicContact CD1-CD2 3.77Å; W84-L92 HydrophobicContact CB-CD1 4.06Å; L92-I94 HydrophobicContact CG-CG1 4.29Å; L92-Y105 HydrophobicContact CD2-CD1 3.76Å; L92-Y105 HydrophobicContact CD2-CE1 4.18Å
93N94.6Very high90.9Very high31 Ų3160.6 Ų60.617%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-97.9121.2171.2-173.5-0.6000110.5L54 W84 Q85 Q87L54-N93 HydrophobicContact CD2-CB 3.61Å; W84-N93 WeakPolarHBondContact CA-O 3.41Å; Q85-N93 HydrophobicContact CB-CB 4.32Å; Q85-N93 PolarHBondContact N-O 2.89Å; Q85-N93 PolarHBondContact O-N 2.86Å; Q87-N93 HydrophobicContact CG-CB 4.18Å
94I94.7Very high91Very high0 Ų064.3 Ų64.30%033%0.326CS..EExtended strand (participates in β ladder)trans-103.8107.8170.1-48.9-177.7000107S52 M53 I55 K83 L92 V97 Y105 L123S52-I94 CarbonylContact C-O 3.54Å; S52-I94 VanDerWaalsContact CA-O 3.23Å; S52-I94 WeakPolarHBondContact CA-O 3.41Å; M53-I94 PolarHBondContact N-O 3.19Å; M53-I94 PolarHBondContact O-N 3.02Å; I55-I94 HydrophobicContact CD1-CD1 3.89Å; K83-I94 HydrophobicContact CG-CG2 4.39Å; L92-I94 HydrophobicContact CG-CG1 4.29Å; I94-V97 HydrophobicContact CB-CG2 4.16Å; I94-V97 HydrophobicContact CG2-CG2 3.86Å; I94-Y105 HydrophobicContact CD1-CE1 4.31Å; I94-L123 HydrophobicContact CD1-CD2 3.83Å
95S93.1Very high91.1Very high48 Ų4861.5 Ų61.534%0.33632%0.315SS..SBendtrans-62.2-49.6-174.148.80000113.6S52 K83S52-S95 VanDerWaalsContact CA-O 3.29Å; S52-S95 WeakPolarHBondContact CA-O 3.4Å; S52-S95 WeakPolarHBondContact CB-O 3.36Å; K83-S95 WeakPolarHBondContact CA-OG 3.46Å; K83-S95 PolarHBondContact O-N 3.41Å; K83-S95 PolarHBondContact O-OG 3.37Å
96V93Very high91.2Very high86 Ų8659.1 Ų59.152%0.52131%0.306SS..SBendtrans-132.6102.8178.3-176.20000109.1K83 S98K83-V96 WeakPolarHBondContact CE-O 3.45Å; K83-V96 PolarHBondContact NZ-O 2.88Å; V96-S98 PolarHBondContact O-N 3.29Å
97V93.3Very high91.2Very high1 Ų156 Ų561%0.00629%0.29CS..  trans-69.6131.2177.9176.20000109.9A47 G50 S51 M53 I94 V125A47-V97 HydrophobicContact CB-CB 4.48Å; A47-V97 HydrophobicContact CB-CG1 3.99Å; A47-V97 HydrophobicContact CB-CG2 4.09Å; G50-V97 PolarHBondContact N-O 3.35Å; S51-V97 WeakPolarHBondContact O-CB 3.41Å; S51-V97 VanDerWaalsContact O-CG2 3.29Å; S51-V97 WeakPolarHBondContact O-CG2 3.45Å; S51-V97 PolarHBondContact O-N 2.77Å; M53-V97 HydrophobicContact CB-CG2 3.82Å; I94-V97 HydrophobicContact CB-CG2 4.16Å; I94-V97 HydrophobicContact CG2-CG2 3.86Å; V97-V125 HydrophobicContact CG1-CB 4.37Å; V97-V125 HydrophobicContact CG1-CG1 3.77Å; V97-V125 HydrophobicContact CG1-CG2 3.64Å
98S91.4Very high91.4Very high40 Ų4052.9 Ų52.928%0.2828%0.277SS..  trans-116.3156.5174.867.70000109.8K83 V96 G100 D101K83-S98 PolarHBondContact NZ-OG 3.01Å; K83-S98 VanDerWaalsContact NZ-OG 3.1Å; V96-S98 PolarHBondContact O-N 3.29Å; S98-G100 PolarHBondContact O-N 2.89Å; S98-G100 VanDerWaalsContact O-N 3.09Å; S98-D101 WeakPolarHBondContact CA-OD2 3.18Å; S98-D101 WeakPolarHBondContact CB-OD2 3.36Å; S98-D101 PolarHBondContact N-OD2 3.48Å; S98-D101 WeakPolarHBondContact O-CB 3.48Å; S98-D101 PolarHBondContact O-N 2.79Å; S98-D101 PolarHBondContact OG-OD1 3.43Å; S98-D101 PolarHBondContact OG-OD2 2.75Å
99F89.8Confident91.9Very high87 Ų8744.6 Ų44.638%0.38224%0.238SC..G310 helixtrans-55.4-30.3176-172-103.7000113.7E49 D101 R102 Y127E49-F99 PolarHBondContact OE1-N 2.99Å; F99-D101 PolarHBondContact O-N 3.21Å; F99-R102 WeakPolarHBondContact O-CD 3.34Å; F99-R102 WeakPolarHBondContact O-CG 3.18Å; F99-R102 PolarHBondContact O-N 3.3Å; F99-Y127 HydrophobicContact CD2-CD2 4.24Å
100G89.9Confident92.4Very high61 Ų6137.4 Ų37.463%0.62921%0.211SC*.G310 helixtrans-69.6-15.2177.600000115S98 R102S98-G100 PolarHBondContact O-N 2.89Å; S98-G100 VanDerWaalsContact O-N 3.09Å; G100-R102 VanDerWaalsContact C-N 3.26Å; G100-R102 PolarHBondContact O-N 2.76Å
101D91.9Very high92.1Very high11 Ų1138.5 Ų38.56%0.05922%0.216CC..G310 helixtrans-80.4-10.1179.3-59.5-45000113.1K83 S98 F99 G103 Y105 L123K83-D101 WeakPolarHBondContact CE-OD1 3.41Å; K83-D101 WeakPolarHBondContact CE-OD2 3.36Å; K83-D101 IonicContact NZ-OD1 3.22Å; K83-D101 PolarHBondContact NZ-OD1 3.3Å; K83-D101 IonicContact NZ-OD2 2.73Å; K83-D101 PolarHBondContact NZ-OD2 3.46Å; S98-D101 WeakPolarHBondContact CA-OD2 3.18Å; S98-D101 WeakPolarHBondContact CB-OD2 3.36Å; S98-D101 PolarHBondContact N-OD2 3.48Å; S98-D101 WeakPolarHBondContact O-CB 3.48Å; S98-D101 PolarHBondContact O-N 2.79Å; S98-D101 PolarHBondContact OG-OD1 3.43Å; S98-D101 PolarHBondContact OG-OD2 2.75Å; F99-D101 PolarHBondContact O-N 3.21Å; D101-G103 PolarHBondContact O-N 2.88Å; D101-Y105 WeakPolarHBondContact O-CE2 3.46Å; D101-Y105 PolarHBondContact O-OH 3.44Å; D101-L123 HydrophobicContact CB-CD2 4.24Å
102R92.8Very high91.3Very high146 Ų14641.1 Ų41.155%0.55125%0.248SC*.  trans-54.8139.5177.971.6-171179.3117.2-0.2110.7F99 G100 L123 V125F99-R102 WeakPolarHBondContact O-CD 3.34Å; F99-R102 WeakPolarHBondContact O-CG 3.18Å; F99-R102 PolarHBondContact O-N 3.3Å; G100-R102 VanDerWaalsContact C-N 3.26Å; G100-R102 PolarHBondContact O-N 2.76Å; R102-L123 WeakPolarHBondContact CA-O 3.48Å; R102-V125 HydrophobicContact CB-CG2 4.07Å
103G93.9Very high90.6Very high21 Ų2148.8 Ų48.822%0.21629%0.288CS..EExtended strand (participates in β ladder)trans140.6-163.5175.600000113.4D101 I122 L123D101-G103 PolarHBondContact O-N 2.88Å; G103-I122 CarbonylContact O-C 3.59Å; G103-L123 PolarHBondContact N-O 3.01Å; G103-L123 PolarHBondContact O-N 2.68Å
104R95.1Very high89.7Confident133 Ų13350.1 Ų50.150%0.50231%0.309SS..EExtended strand (participates in β ladder)trans-83.9130-176.4-168.2-177.8-46-66.2-4.3110.5N70 S71 T120 V121N70-R104 CarbonylContact C-O 3.58Å; N70-R104 VanDerWaalsContact C-O 3.23Å; S71-R104 WeakPolarHBondContact CA-O 3.29Å; S71-R104 PolarHBondContact N-O 2.92Å; R104-T120 HydrophobicContact CG-CG2 3.32Å; R104-V121 WeakPolarHBondContact CA-O 3.21Å
105Y94.9Very high89.2Confident3 Ų354.4 Ų54.41%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-116.5133.3169.8-71.8-101.9000108.6I55 Y69 N70 L76 L92 I94 D101 T120 V121 L123I55-Y105 HydrophobicContact CD1-CG 4.44Å; Y69-Y105 WeakPolarHBondContact O-CA 3.44Å; N70-Y105 HydrophobicContact CB-CD1 4.37Å; N70-Y105 HydrophobicContact CB-CE1 3.99Å; L76-Y105 HydrophobicContact CD1-CD1 3.72Å; L76-Y105 HydrophobicContact CD1-CE1 3.61Å; L92-Y105 HydrophobicContact CD2-CD1 3.76Å; L92-Y105 HydrophobicContact CD2-CE1 4.18Å; I94-Y105 HydrophobicContact CD1-CE1 4.31Å; D101-Y105 WeakPolarHBondContact O-CE2 3.46Å; D101-Y105 PolarHBondContact O-OH 3.44Å; Y105-T120 WeakPolarHBondContact O-CA 3.46Å; Y105-V121 PolarHBondContact N-O 3.29Å; Y105-V121 PolarHBondContact O-N 3.47Å; Y105-L123 HydrophobicContact CD2-CB 3.75Å; Y105-L123 HydrophobicContact CD2-CD2 4.37Å; Y105-L123 HydrophobicContact CE2-CB 3.63Å; Y105-L123 HydrophobicContact CE2-CD2 3.62Å; Y105-L123 HydrophobicContact CE2-CG 4.27Å
106T94.2Very high88.9Confident32 Ų3255.9 Ų55.920%0.19634%0.339CS..EExtended strand (participates in β ladder)trans-124.3121.6-178.7-570000108.6Y69 V108 N118 Y119 T120Y69-T106 PolarHBondContact N-O 3.47Å; Y69-T106 PolarHBondContact O-N 3.42Å; T106-V108 HydrophobicContact CG2-CG2 4.45Å; T106-N118 HydrophobicContact CG2-CB 4.47Å; T106-Y119 CarbonylContact C-O 3.58Å; T106-Y119 WeakPolarHBondContact CA-O 3.22Å; T106-T120 PolarHBondContact OG1-OG1 3.42Å
107C93Very high88.7Confident0 Ų056.5 Ų56.50%033%0.332CS..EExtended strand (participates in β ladder)trans-93.7143.2165.4680000110.2C57 V66 R67 W68 N118 Y119C57-C107 VanDerWaalsContact CA-SG 3.6Å; C57-C107 HydrophobicContact CB-CB 3.78Å; C57-C107 WeakPolarHBondContact CB-SG 3.27Å; C57-C107 WeakPolarHBondContact SG-CB 3.02Å; C57-C107 CovalentContact SG-SG 2.04Å; C57-C107 PolarHBondContact SG-SG 3.33Å; V66-C107 HydrophobicContact CG1-CB 4.17Å; R67-C107 CarbonylContact O-C 3.23Å; R67-C107 VanDerWaalsContact O-CA 3.31Å; R67-C107 WeakPolarHBondContact O-CA 3.08Å; W68-C107 HydrophobicContact CD2-CB 3.63Å; W68-C107 HydrophobicContact CE3-CB 3.78Å; W68-C107 HydrophobicContact CG-CB 4.31Å; W68-C107 HydrophobicContact CH2-CB 3.74Å; W68-C107 HydrophobicContact CZ2-CB 3.62Å; W68-C107 HydrophobicContact CZ3-CB 3.82Å; C107-N118 CarbonylContact O-C 3.53Å; C107-N118 VanDerWaalsContact O-CA 3.24Å; C107-N118 WeakPolarHBondContact O-CA 3.38Å; C107-Y119 PolarHBondContact N-O 2.9Å; C107-Y119 PolarHBondContact O-N 3.49Å; C107-Y119 VanDerWaalsContact SG-CB 3.59Å
108V92.2Very high88.6Confident21 Ų2161.3 Ų61.313%0.12736%0.357CS..EExtended strand (participates in β ladder)trans-123.5109.9176.5178.20000106.3R67 Y69 T106 R117 N118R67-V108 PolarHBondContact N-O 2.86Å; R67-V108 PolarHBondContact O-N 2.96Å; Y69-V108 HydrophobicContact CD2-CG2 3.9Å; Y69-V108 HydrophobicContact CE2-CB 4.19Å; Y69-V108 HydrophobicContact CE2-CG2 3.68Å; T106-V108 HydrophobicContact CG2-CG2 4.45Å; V108-R117 WeakPolarHBondContact CA-O 3.25Å; V108-N118 WeakPolarHBondContact CG1-OD1 3.5Å; V108-N118 WeakPolarHBondContact CG2-OD1 3.32Å
109A91.4Very high88.6Confident0 Ų061.2 Ų61.20%035%0.351CS..EExtended strand (participates in β ladder)trans-97.7126.5174.800000109.2V59 E64 D65 V66 T116 R117V59-A109 HydrophobicContact CG2-CB 3.97Å; E64-A109 HydrophobicContact CB-CB 4.19Å; E64-A109 WeakPolarHBondContact OE2-CB 3.4Å; D65-A109 WeakPolarHBondContact O-CA 3.36Å; V66-A109 HydrophobicContact CG2-CB 4.16Å; A109-T116 CarbonylContact O-C 3.49Å; A109-T116 WeakPolarHBondContact O-CA 3.39Å; A109-R117 PolarHBondContact N-O 2.92Å; A109-R117 PolarHBondContact O-N 3.23Å
110S87.9Confident88.8Confident30 Ų3060.1 Ų60.121%0.2135%0.351CS..EExtended strand (participates in β ladder)trans-110118.8175.7-1690000109.7E64 D65E64-S110 WeakPolarHBondContact CA-O 3.13Å; D65-S110 PolarHBondContact N-O 3.09Å; D65-S110 PolarHBondContact O-N 2.92Å
111T81.8Confident88.9Confident31 Ų3157.3 Ų57.319%0.1932%0.322CS..EExtended strand (participates in β ladder)trans-74.7149.1169.3-46.70000109.4E64 I113 G114 L115E64-T111 PolarHBondContact OE1-OG1 3.48Å; T111-I113 HydrophobicContact CG2-CG1 4.31Å; T111-I113 PolarHBondContact O-N 2.96Å; T111-G114 PolarHBondContact O-N 3.22Å; T111-L115 PolarHBondContact N-O 3.36Å
112G75.6Confident89.1Confident81 Ų8159.2 Ų59.284%0.83533%0.332SS*.THydrogen-bonded Turntrans-58.1-12.4176.500000115.7G114G112-G114 VanDerWaalsContact C-N 3.33Å
113I78.1Confident89.2Confident161 Ų16152.3 Ų52.383%0.82631%0.306SS*.THydrogen-bonded Turntrans-939.3176.7-44.4169.6000111.6T111 L115T111-I113 HydrophobicContact CG2-CG1 4.31Å; T111-I113 PolarHBondContact O-N 2.96Å; I113-L115 VanDerWaalsContact C-N 3.34Å; I113-L115 PolarHBondContact O-N 2.95Å
114G76.5Confident89.1Confident59 Ų5957.6 Ų57.661%0.60832%0.319SS*.SBendtrans81.26.2177.400000115.2T111 G112T111-G114 PolarHBondContact O-N 3.22Å; G112-G114 VanDerWaalsContact C-N 3.33Å
115L83.3Confident89Confident90 Ų9052.1 Ų52.147%0.47130%0.301SS..  trans-77.4133.1171.9-174.261.8000109.9T111 I113 R117T111-L115 PolarHBondContact N-O 3.36Å; I113-L115 VanDerWaalsContact C-N 3.34Å; I113-L115 PolarHBondContact O-N 2.95Å; L115-R117 VanDerWaalsContact CD2-NH2 3.32Å
116T87.5Confident88.7Confident80 Ų8054 Ų5449%0.49132%0.317SS..EExtended strand (participates in β ladder)trans-117.7133.2178.152.70000110.8A109A109-T116 CarbonylContact O-C 3.49Å; A109-T116 WeakPolarHBondContact O-CA 3.39Å
117R89.1Confident87.9Confident99 Ų9957 Ų5737%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-124.7138.5176.3-65.8-171.8179.694.3-3.1110.1V59 E64 V108 A109 L115V59-R117 HydrophobicContact CB-CB 3.87Å; V59-R117 HydrophobicContact CG1-CB 4.13Å; V59-R117 HydrophobicContact CG2-CB 4.24Å; E64-R117 IonicContact OE1-NH1 2.76Å; E64-R117 PolarHBondContact OE1-NH1 2.97Å; V108-R117 WeakPolarHBondContact CA-O 3.25Å; A109-R117 PolarHBondContact N-O 2.92Å; A109-R117 PolarHBondContact O-N 3.23Å; L115-R117 VanDerWaalsContact CD2-NH2 3.32Å
118N90.7Very high87Confident102 Ų10258.6 Ų58.655%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-119.9137.1-177.3-59.2-23.6000110.5T106 C107 V108T106-N118 HydrophobicContact CG2-CB 4.47Å; C107-N118 CarbonylContact O-C 3.53Å; C107-N118 VanDerWaalsContact O-CA 3.24Å; C107-N118 WeakPolarHBondContact O-CA 3.38Å; V108-N118 WeakPolarHBondContact CG1-OD1 3.5Å; V108-N118 WeakPolarHBondContact CG2-OD1 3.32Å
119Y90.9Very high85.7Confident37 Ų3762.3 Ų62.315%0.14535%0.354CS..EExtended strand (participates in β ladder)trans-129.2132.9171.6167.6-100.5000110.3R43 E56 N58 T106 C107 V121R43-Y119 PolarHBondContact NE-OH 3.19Å; R43-Y119 PolarHBondContact NH2-OH 2.96Å; E56-Y119 WeakPolarHBondContact O-CE1 3.1Å; N58-Y119 HydrophobicContact CB-CD1 4.26Å; N58-Y119 HydrophobicContact CB-CD2 3.95Å; N58-Y119 HydrophobicContact CB-CE1 4.21Å; N58-Y119 HydrophobicContact CB-CE2 3.94Å; N58-Y119 HydrophobicContact CB-CG 4.12Å; T106-Y119 CarbonylContact C-O 3.58Å; T106-Y119 WeakPolarHBondContact CA-O 3.22Å; C107-Y119 PolarHBondContact N-O 2.9Å; C107-Y119 PolarHBondContact O-N 3.49Å; C107-Y119 VanDerWaalsContact SG-CB 3.59Å; Y119-V121 HydrophobicContact CE1-CB 4.19Å
120T92.9Very high84.5Confident64 Ų6467.1 Ų67.139%0.39339%0.387SS..EExtended strand (participates in β ladder)trans-120.4133.3-173.1-60.60000110.3R104 Y105 T106R104-T120 HydrophobicContact CG-CG2 3.32Å; Y105-T120 WeakPolarHBondContact O-CA 3.46Å; T106-T120 PolarHBondContact OG1-OG1 3.42Å
121V93.9Very high83.4Confident3 Ų367 Ų672%0.01839%0.391CS..EExtended strand (participates in β ladder)trans-132.3149.5178.167.90000109.9R43 I45 I55 W68 R104 Y105 Y119R43-V121 VanDerWaalsContact O-CG2 3.25Å; R43-V121 WeakPolarHBondContact O-CG2 3.18Å; I45-V121 HydrophobicContact CB-CG2 4.43Å; I45-V121 HydrophobicContact CD1-CG1 4.4Å; I45-V121 HydrophobicContact CD1-CG2 4.01Å; I45-V121 HydrophobicContact CG1-CG2 3.92Å; I45-V121 HydrophobicContact CG2-CG2 3.82Å; I55-V121 HydrophobicContact CG2-CG1 3.68Å; W68-V121 HydrophobicContact CZ3-CG1 4.45Å; R104-V121 WeakPolarHBondContact CA-O 3.21Å; Y105-V121 PolarHBondContact N-O 3.29Å; Y105-V121 PolarHBondContact O-N 3.47Å; Y119-V121 HydrophobicContact CE1-CB 4.19Å
122I94.8Very high83Confident50 Ų5069.7 Ų69.726%0.25640%0.404SS..EExtended strand (participates in β ladder)trans-103.7113176.1-59.3175.6000108.9R43 Y44 I45 G103 R124R43-I122 PolarHBondContact O-N 3.2Å; Y44-I122 CarbonylContact C-O 3.51Å; Y44-I122 WeakPolarHBondContact CA-O 3.29Å; I45-I122 PolarHBondContact N-O 2.8Å; G103-I122 CarbonylContact O-C 3.59Å; I122-R124 HydrophobicContact CG2-CG 4.48Å; I122-R124 PolarHBondContact O-N 3.49Å
123L94.4Very high83.2Confident2 Ų266.8 Ų66.81%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-80.5114.1171.5-177.462.8000109.7I45 A47 I94 D101 R102 G103 Y105 V125I45-L123 HydrophobicContact CD1-CD1 3.9Å; I45-L123 HydrophobicContact CG1-CB 4.41Å; I45-L123 HydrophobicContact CG1-CD1 3.78Å; A47-L123 HydrophobicContact CB-CD1 3.76Å; I94-L123 HydrophobicContact CD1-CD2 3.83Å; D101-L123 HydrophobicContact CB-CD2 4.24Å; R102-L123 WeakPolarHBondContact CA-O 3.48Å; G103-L123 PolarHBondContact N-O 3.01Å; G103-L123 PolarHBondContact O-N 2.68Å; Y105-L123 HydrophobicContact CD2-CB 3.75Å; Y105-L123 HydrophobicContact CD2-CD2 4.37Å; Y105-L123 HydrophobicContact CE2-CB 3.63Å; Y105-L123 HydrophobicContact CE2-CD2 3.62Å; Y105-L123 HydrophobicContact CE2-CG 4.27Å; L123-V125 HydrophobicContact CD2-CG2 4.47Å; L123-V125 HydrophobicContact CG-CG2 4.24Å
124R93.6Very high83.4Confident132 Ų13264.8 Ų64.850%0.49836%0.364SS..EExtended strand (participates in β ladder)trans-96.5137.8166.2-62.8-173.9-177.8-162.91.1108.3Y44 I45 L46 A47 I122Y44-R124 HydrophobicContact CD2-CG 4.44Å; I45-R124 PolarHBondContact O-N 2.82Å; L46-R124 WeakPolarHBondContact CA-O 3.23Å; L46-R124 HydrophobicContact CD1-CB 3.93Å; A47-R124 PolarHBondContact N-O 2.88Å; I122-R124 HydrophobicContact CG2-CG 4.48Å; I122-R124 PolarHBondContact O-N 3.49Å
125V92.4Very high83.9Confident18 Ų1868.9 Ų68.911%0.10936%0.362CS..EExtended strand (participates in β ladder)trans-113116.9177.7-176.40000108.3A47 E49 V97 R102 L123 Y127A47-V125 CarbonylContact O-C 3.58Å; A47-V125 VanDerWaalsContact O-CA 3.29Å; A47-V125 WeakPolarHBondContact O-CA 3.29Å; E49-V125 HydrophobicContact CB-CG1 4.02Å; V97-V125 HydrophobicContact CG1-CB 4.37Å; V97-V125 HydrophobicContact CG1-CG1 3.77Å; V97-V125 HydrophobicContact CG1-CG2 3.64Å; R102-V125 HydrophobicContact CB-CG2 4.07Å; L123-V125 HydrophobicContact CD2-CG2 4.47Å; L123-V125 HydrophobicContact CG-CG2 4.24Å; V125-Y127 PolarHBondContact O-N 3.4Å
126A88.2Confident84Confident42 Ų4270.5 Ų70.535%0.34737%0.366SS..EExtended strand (participates in β ladder)trans-71.9111.916800000107.9L46 A47 E49 T128L46-A126 HydrophobicContact CD1-CB 4.04Å; L46-A126 HydrophobicContact CG-CB 4.46Å; A47-A126 PolarHBondContact O-N 3.3Å; E49-A126 PolarHBondContact N-O 3.27Å; A126-T128 PolarHBondContact O-N 3Å; A126-T128 VanDerWaalsContact O-N 3.16Å
127Y78.2Confident84.1Confident95 Ų9570.6 Ų70.637%0.37337%0.366SS..  trans-60.4116.8175.4-175-108.8000109.2E49 F99 V125 N129 L132E49-Y127 WeakPolarHBondContact OE2-CD2 3.25Å; E49-Y127 VanDerWaalsContact OE2-CE2 3.27Å; E49-Y127 WeakPolarHBondContact OE2-CE2 3.16Å; F99-Y127 HydrophobicContact CD2-CD2 4.24Å; V125-Y127 PolarHBondContact O-N 3.4Å; Y127-N129 HydrophobicContact CE1-CB 4.39Å; Y127-N129 WeakPolarHBondContact CE1-OD1 3.47Å; Y127-N129 PolarHBondContact O-N 3.36Å; Y127-L132 HydrophobicContact CE1-CB 4.46Å; Y127-L132 HydrophobicContact CE1-CD1 4.3Å; Y127-L132 WeakPolarHBondContact OH-CD1 3.46Å; Y127-L132 WeakPolarHBondContact OH-CG 3.38Å
128T72.8Confident84.2Confident34 Ų3470.7 Ų70.721%0.20937%0.373CS..  trans-82.8114.9168.1550000105.8K48 E49 A126 S130K48-T128 HydrophobicContact CD-CG2 3.79Å; K48-T128 HydrophobicContact CG-CG2 3.19Å; E49-T128 HydrophobicContact CB-CG2 4.2Å; E49-T128 WeakPolarHBondContact O-CG2 3.42Å; A126-T128 PolarHBondContact O-N 3Å; A126-T128 VanDerWaalsContact O-N 3.16Å; T128-S130 PolarHBondContact O-N 3.46Å; T128-S130 PolarHBondContact O-OG 3.39Å
129N65.8Low84.3Confident99 Ų9969 Ų6953%0.52937%0.366SS..  trans-61.185.6177.8-119.5-35.2000109.7Y127 G131 G133Y127-N129 HydrophobicContact CE1-CB 4.39Å; Y127-N129 WeakPolarHBondContact CE1-OD1 3.47Å; Y127-N129 PolarHBondContact O-N 3.36Å; N129-G131 PolarHBondContact O-N 2.91Å; N129-G133 WeakPolarHBondContact OD1-CA 3.31Å; N129-G133 PolarHBondContact OD1-N 3.42Å
130S65.6Low84.5Confident100 Ų10070.2 Ų70.270%0.69938%0.379SS*.SBendtrans-74.330178.4-57.30000111.8T128T128-S130 PolarHBondContact O-N 3.46Å; T128-S130 PolarHBondContact O-OG 3.39Å
131G64.5Low84.6Confident27 Ų2772.6 Ų72.628%0.27839%0.389SS..SBendtrans115.3-11.6179.100000115.9N129 L134 Y135N129-G131 PolarHBondContact O-N 2.91Å; G131-L134 PolarHBondContact O-N 2.89Å; G131-Y135 WeakPolarHBondContact O-CB 3.27Å; G131-Y135 PolarHBondContact O-N 2.9Å
132L74.8Confident84.7Confident88 Ų8876.2 Ų76.246%0.46141%0.411SS..Hα-helixtrans-63.6-47.6178.8-73.7-176.6000112.2Y127 L134 Y135 F136Y127-L132 HydrophobicContact CE1-CB 4.46Å; Y127-L132 HydrophobicContact CE1-CD1 4.3Å; Y127-L132 WeakPolarHBondContact OH-CD1 3.46Å; Y127-L132 WeakPolarHBondContact OH-CG 3.38Å; L132-L134 PolarHBondContact O-N 3.32Å; L132-Y135 WeakPolarHBondContact O-CB 3.35Å; L132-Y135 PolarHBondContact O-N 3.27Å; L132-F136 HydrophobicContact CB-CD2 4.48Å; L132-F136 HydrophobicContact CB-CE2 4.18Å; L132-F136 WeakPolarHBondContact O-CD2 2.92Å; L132-F136 PolarHBondContact O-N 2.93Å
133G78.9Confident84.8Confident20 Ų2075.4 Ų75.421%0.20641%0.412CS..Hα-helixtrans-61.7-42.8177.200000112.3N129 F136 V137N129-G133 WeakPolarHBondContact OD1-CA 3.31Å; N129-G133 PolarHBondContact OD1-N 3.42Å; G133-F136 PolarHBondContact O-N 3.39Å; G133-V137 VanDerWaalsContact O-CG2 3.27Å; G133-V137 WeakPolarHBondContact O-CG2 3.42Å; G133-V137 PolarHBondContact O-N 2.82Å
134L81.8Confident84.9Confident120 Ų12082.2 Ų82.263%0.62844%0.441SS*.Hα-helixtrans-65.2-40.2174.7-67.2176000111.7G131 L132 V137 I138G131-L134 PolarHBondContact O-N 2.89Å; L132-L134 PolarHBondContact O-N 3.32Å; L134-V137 PolarHBondContact O-N 2.9Å; L134-I138 WeakPolarHBondContact O-CB 3.27Å; L134-I138 WeakPolarHBondContact O-CD1 3.41Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.33Å
135Y87.5Confident85Confident145 Ų14578.4 Ų78.457%0.56944%0.438SS*.Hα-helixtrans-59.3-47.7174.3172.6-94.5000111.3G131 L132 V137 I138 V139G131-Y135 WeakPolarHBondContact O-CB 3.27Å; G131-Y135 PolarHBondContact O-N 2.9Å; L132-Y135 WeakPolarHBondContact O-CB 3.35Å; L132-Y135 PolarHBondContact O-N 3.27Å; Y135-V137 PolarHBondContact O-N 3.47Å; Y135-I138 PolarHBondContact O-N 2.89Å; Y135-V139 HydrophobicContact CD1-CG2 4.28Å; Y135-V139 HydrophobicContact CD2-CG2 4.43Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CG2 4.09Å; Y135-V139 WeakPolarHBondContact O-CB 3.42Å; Y135-V139 VanDerWaalsContact O-CG2 3.25Å; Y135-V139 WeakPolarHBondContact O-CG2 3.34Å; Y135-V139 PolarHBondContact O-N 3.46Å
136F86.4Confident85.1Confident124 Ų12482 Ų8254%0.54446%0.456SS..Hα-helixtrans-62.6-41.9176.1-70.5-62.7000112.1L132 G133 I138 V139 C140L132-F136 HydrophobicContact CB-CD2 4.48Å; L132-F136 HydrophobicContact CB-CE2 4.18Å; L132-F136 WeakPolarHBondContact O-CD2 2.92Å; L132-F136 PolarHBondContact O-N 2.93Å; G133-F136 PolarHBondContact O-N 3.39Å; F136-I138 PolarHBondContact O-N 3.36Å; F136-V139 PolarHBondContact O-N 2.89Å; F136-C140 WeakPolarHBondContact O-CB 3.31Å; F136-C140 PolarHBondContact O-N 2.84Å; F136-C140 PolarHBondContact O-SG 3.12Å
137V88.6Confident85.4Confident82 Ų8282 Ų8250%0.49745%0.452SS..Hα-helixtrans-60.4-46.2175.3170.90000111G133 L134 Y135 C140 L141G133-V137 VanDerWaalsContact O-CG2 3.27Å; G133-V137 WeakPolarHBondContact O-CG2 3.42Å; G133-V137 PolarHBondContact O-N 2.82Å; L134-V137 PolarHBondContact O-N 2.9Å; Y135-V137 PolarHBondContact O-N 3.47Å; V137-C140 PolarHBondContact O-N 3.37Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.48Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-L141 PolarHBondContact O-N 2.92Å
138I91.3Very high86.2Confident101 Ų10182.4 Ų82.452%0.51846%0.458SS..Hα-helixtrans-62.6-46.1178.3-68.1163.4000110.7L134 Y135 F136 C140 L141 V142L134-I138 WeakPolarHBondContact O-CB 3.27Å; L134-I138 WeakPolarHBondContact O-CD1 3.41Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.33Å; Y135-I138 PolarHBondContact O-N 2.89Å; F136-I138 PolarHBondContact O-N 3.36Å; I138-C140 VanDerWaalsContact C-N 3.32Å; I138-C140 PolarHBondContact O-N 3.49Å; I138-L141 PolarHBondContact O-N 3.47Å; I138-V142 HydrophobicContact CG2-CG2 4.37Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 3.28Å
139V93.8Very high87.2Confident66 Ų6685.1 Ų85.140%0.447%0.474SS..Hα-helixtrans-59.5-43.5177.7170.20000111Y135 F136 V142 A143Y135-V139 HydrophobicContact CD1-CG2 4.28Å; Y135-V139 HydrophobicContact CD2-CG2 4.43Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CG2 4.09Å; Y135-V139 WeakPolarHBondContact O-CB 3.42Å; Y135-V139 VanDerWaalsContact O-CG2 3.25Å; Y135-V139 WeakPolarHBondContact O-CG2 3.34Å; Y135-V139 PolarHBondContact O-N 3.46Å; F136-V139 PolarHBondContact O-N 2.89Å; V139-V142 PolarHBondContact O-N 3.45Å; V139-A143 WeakPolarHBondContact O-CB 3.38Å; V139-A143 PolarHBondContact O-N 3.22Å
140C94.1Very high88.5Confident62 Ų6284.6 Ų84.642%0.41947%0.471SS..Hα-helixtrans-62.4-43.4176-71.90000112.3F136 V137 I138 A143 F144F136-C140 WeakPolarHBondContact O-CB 3.31Å; F136-C140 PolarHBondContact O-N 2.84Å; F136-C140 PolarHBondContact O-SG 3.12Å; V137-C140 PolarHBondContact O-N 3.37Å; I138-C140 VanDerWaalsContact C-N 3.32Å; I138-C140 PolarHBondContact O-N 3.49Å; C140-A143 PolarHBondContact O-N 3.19Å; C140-F144 WeakPolarHBondContact O-CB 3.25Å; C140-F144 PolarHBondContact O-N 3.1Å
141L95.2Very high89.5Confident114 Ų11484 Ų8460%0.59746%0.46SS*.Hα-helixtrans-64.6-43.3178.1-71.1174.7000112V137 I138 F144 A145V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 HydrophobicContact CG1-CG 4.48Å; V137-L141 VanDerWaalsContact O-CG 3.31Å; V137-L141 WeakPolarHBondContact O-CG 3.31Å; V137-L141 PolarHBondContact O-N 2.92Å; I138-L141 PolarHBondContact O-N 3.47Å; L141-F144 PolarHBondContact O-N 2.9Å; L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.12Å
142V96.5Very high91Very high80 Ų8086.3 Ų86.349%0.48547%0.469SS..Hα-helixtrans-63.3-46176.51720000110.5I138 V139 F144 A145 I146I138-V142 HydrophobicContact CG2-CG2 4.37Å; I138-V142 WeakPolarHBondContact O-CG2 3.34Å; I138-V142 PolarHBondContact O-N 3.28Å; V139-V142 PolarHBondContact O-N 3.45Å; V142-F144 PolarHBondContact O-N 3.15Å; V142-A145 PolarHBondContact O-N 3.5Å; V142-I146 HydrophobicContact CG1-CD1 3.82Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.34Å; V142-I146 PolarHBondContact O-N 3.19Å
143A95.8Very high91.8Very high33 Ų3384.5 Ų84.527%0.27347%0.466SS..Hα-helixtrans-59.6-45.7176.600000111.6V139 C140 I146 T147V139-A143 WeakPolarHBondContact O-CB 3.38Å; V139-A143 PolarHBondContact O-N 3.22Å; C140-A143 PolarHBondContact O-N 3.19Å; A143-I146 PolarHBondContact O-N 3.14Å; A143-T147 WeakPolarHBondContact O-CG2 3.26Å; A143-T147 PolarHBondContact O-N 3.15Å; A143-T147 PolarHBondContact O-OG1 3.01Å
144F96.6Very high92.4Very high144 Ų14489.2 Ų89.263%0.63248%0.478SS*.Hα-helixtrans-64.1-40.9178.6-172.7-97.4000112.8C140 L141 V142 I146 T147 M148C140-F144 WeakPolarHBondContact O-CB 3.25Å; C140-F144 PolarHBondContact O-N 3.1Å; L141-F144 PolarHBondContact O-N 2.9Å; V142-F144 PolarHBondContact O-N 3.15Å; F144-I146 VanDerWaalsContact C-N 3.35Å; F144-I146 PolarHBondContact O-N 3.25Å; F144-T147 WeakPolarHBondContact CA-OG1 3.45Å; F144-T147 PolarHBondContact O-N 3.1Å; F144-T147 PolarHBondContact O-OG1 3.35Å; F144-M148 WeakPolarHBondContact O-CB 3.34Å; F144-M148 PolarHBondContact O-N 3.29Å
145A95.8Very high92.9Very high52 Ų5289.5 Ų89.543%0.4348%0.479SS..Hα-helixtrans-61.9-44.4175.100000111.3L141 V142 M148 V149L141-A145 WeakPolarHBondContact O-CB 3.41Å; L141-A145 PolarHBondContact O-N 3.12Å; V142-A145 PolarHBondContact O-N 3.5Å; A145-M148 PolarHBondContact O-N 3.48Å; A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 2.99Å
146I95.6Very high93Very high93 Ų9385.6 Ų85.648%0.47747%0.473SS..Hα-helixtrans-62.6-46.8176.9-66.7165.9000110.6V142 A143 F144 M148 V149 L150V142-I146 HydrophobicContact CG1-CD1 3.82Å; V142-I146 VanDerWaalsContact O-CG1 3.27Å; V142-I146 WeakPolarHBondContact O-CG1 3.34Å; V142-I146 PolarHBondContact O-N 3.19Å; A143-I146 PolarHBondContact O-N 3.14Å; F144-I146 VanDerWaalsContact C-N 3.35Å; F144-I146 PolarHBondContact O-N 3.25Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3.38Å; I146-V149 PolarHBondContact O-N 3.49Å; I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.44Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.34Å; I146-L150 PolarHBondContact O-N 2.93Å
147T93.9Very high93.2Very high44 Ų4485.6 Ų85.627%0.2748%0.476SS..Hα-helixtrans-63.9-40.117957.80000111.7A143 F144 L150 N151A143-T147 WeakPolarHBondContact O-CG2 3.26Å; A143-T147 PolarHBondContact O-N 3.15Å; A143-T147 PolarHBondContact O-OG1 3.01Å; F144-T147 WeakPolarHBondContact CA-OG1 3.45Å; F144-T147 PolarHBondContact O-N 3.1Å; F144-T147 PolarHBondContact O-OG1 3.35Å; T147-L150 PolarHBondContact O-N 2.96Å; T147-N151 VanDerWaalsContact O-CB 3.25Å; T147-N151 WeakPolarHBondContact O-CB 3.47Å; T147-N151 PolarHBondContact O-N 3.42Å; T147-N151 PolarHBondContact O-ND2 2.96Å
148M94.7Very high93.3Very high103 Ų10385.7 Ų85.751%0.50748%0.476SS..Hα-helixtrans-59.7-48.7175.5-166.2-159.884.200111.1F144 A145 I146 L150 N151 V152F144-M148 WeakPolarHBondContact O-CB 3.34Å; F144-M148 PolarHBondContact O-N 3.29Å; A145-M148 PolarHBondContact O-N 3.48Å; I146-M148 VanDerWaalsContact C-N 3.34Å; I146-M148 PolarHBondContact O-N 3.38Å; M148-L150 PolarHBondContact O-N 3.35Å; M148-N151 PolarHBondContact O-N 2.94Å; M148-V152 VanDerWaalsContact O-CG2 3.31Å; M148-V152 WeakPolarHBondContact O-CG2 3.44Å; M148-V152 PolarHBondContact O-N 3.46Å
149V94.6Very high93.1Very high90 Ų9083.7 Ų83.755%0.54547%0.472SS..Hα-helixtrans-61.5-44.5178172.40000111.3A145 I146 N151 V152 A153A145-V149 VanDerWaalsContact O-CG2 3.31Å; A145-V149 WeakPolarHBondContact O-CG2 3.42Å; A145-V149 PolarHBondContact O-N 2.99Å; I146-V149 PolarHBondContact O-N 3.49Å; V149-N151 VanDerWaalsContact C-N 3.33Å; V149-N151 PolarHBondContact O-N 2.83Å; V149-V152 PolarHBondContact O-N 3.26Å; V149-A153 WeakPolarHBondContact O-CB 3.24Å; V149-A153 PolarHBondContact O-N 3.15Å
150L92.1Very high93Very high88 Ų8884.1 Ų84.146%0.46148%0.477SS..Hα-helixtrans-64.5-38.1177.7-70175.8000112.2I146 T147 M148 A153 R154I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.44Å; I146-L150 VanDerWaalsContact O-CG 3.26Å; I146-L150 WeakPolarHBondContact O-CG 3.34Å; I146-L150 PolarHBondContact O-N 2.93Å; T147-L150 PolarHBondContact O-N 2.96Å; M148-L150 PolarHBondContact O-N 3.35Å; L150-A153 PolarHBondContact O-N 3.09Å; L150-R154 PolarHBondContact O-N 3.37Å
151N88.2Confident92.4Very high88 Ų8887.5 Ų87.547%0.47149%0.487SS..Hα-helixtrans-68.6-43.4177.8-73.1-20000111.4T147 M148 V149 R154 L155T147-N151 VanDerWaalsContact O-CB 3.25Å; T147-N151 WeakPolarHBondContact O-CB 3.47Å; T147-N151 PolarHBondContact O-N 3.42Å; T147-N151 PolarHBondContact O-ND2 2.96Å; M148-N151 PolarHBondContact O-N 2.94Å; V149-N151 VanDerWaalsContact C-N 3.33Å; V149-N151 PolarHBondContact O-N 2.83Å; N151-R154 PolarHBondContact O-N 2.95Å; N151-L155 WeakPolarHBondContact O-CB 3.46Å; N151-L155 PolarHBondContact O-N 3.35Å
152V94.8Very high91.7Very high76 Ų7687.1 Ų87.146%0.46149%0.485SS..Hα-helixtrans-61.4-46.7173.4172.80000110.3M148 V149 R154 L155 C156M148-V152 VanDerWaalsContact O-CG2 3.31Å; M148-V152 WeakPolarHBondContact O-CG2 3.44Å; M148-V152 PolarHBondContact O-N 3.46Å; V149-V152 PolarHBondContact O-N 3.26Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.41Å; V152-L155 PolarHBondContact O-N 3.11Å; V152-L155 VanDerWaalsContact O-N 3.15Å; V152-C156 WeakPolarHBondContact O-CB 3.37Å; V152-C156 PolarHBondContact O-N 3.35Å; V152-C156 PolarHBondContact O-SG 2.73Å
153A92.6Very high91.3Very high49 Ų4990.5 Ų90.541%0.40549%0.493SS..Hα-helixtrans-60.2-41.8177.900000112.3V149 L150 C156 M157V149-A153 WeakPolarHBondContact O-CB 3.24Å; V149-A153 PolarHBondContact O-N 3.15Å; L150-A153 PolarHBondContact O-N 3.09Å; A153-C156 PolarHBondContact O-N 3.36Å; A153-M157 WeakPolarHBondContact O-CB 3.5Å; A153-M157 VanDerWaalsContact O-CG 3.24Å; A153-M157 WeakPolarHBondContact O-CG 3.45Å; A153-M157 PolarHBondContact O-N 3.24Å
154R91.3Very high90.9Very high119 Ų11994.2 Ų94.245%0.44951%0.505SS..Hα-helixtrans-61.7-46.4173.2-81.7-161.9-147.9-98.75.1111.9L150 N151 V152 C156 M157 V158L150-R154 PolarHBondContact O-N 3.37Å; N151-R154 PolarHBondContact O-N 2.95Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.41Å; R154-C156 VanDerWaalsContact C-N 3.32Å; R154-C156 PolarHBondContact O-N 3.47Å; R154-M157 PolarHBondContact O-N 3.17Å; R154-V158 WeakPolarHBondContact O-CG2 3.24Å; R154-V158 PolarHBondContact O-N 3.15Å
155L91.8Very high90.3Very high126 Ų12690.6 Ų90.666%0.6649%0.494SS*.Hα-helixtrans-60.5-45179.6-176.764.5000110.6N151 V152 V158 S159N151-L155 WeakPolarHBondContact O-CB 3.46Å; N151-L155 PolarHBondContact O-N 3.35Å; V152-L155 PolarHBondContact O-N 3.11Å; V152-L155 VanDerWaalsContact O-N 3.15Å; L155-V158 PolarHBondContact O-N 3.01Å; L155-S159 VanDerWaalsContact O-CB 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.39Å; L155-S159 PolarHBondContact O-N 2.86Å; L155-S159 PolarHBondContact O-OG 3.37Å
156C89.7Confident89.8Confident64 Ų6494.4 Ų94.443%0.43250%0.504SS..Hα-helixtrans-58.9-49.9175.3-68.40000111.3V152 A153 R154 V158 S159 S160V152-C156 WeakPolarHBondContact O-CB 3.37Å; V152-C156 PolarHBondContact O-N 3.35Å; V152-C156 PolarHBondContact O-SG 2.73Å; A153-C156 PolarHBondContact O-N 3.36Å; R154-C156 VanDerWaalsContact C-N 3.32Å; R154-C156 PolarHBondContact O-N 3.47Å; C156-V158 VanDerWaalsContact C-N 3.34Å; C156-V158 PolarHBondContact O-N 3.31Å; C156-S159 WeakPolarHBondContact CA-OG 3.46Å; C156-S159 PolarHBondContact O-N 3.37Å; C156-S159 PolarHBondContact O-OG 3.2Å; C156-S160 PolarHBondContact O-N 3.35Å; C156-S160 PolarHBondContact O-OG 3.35Å
157M89.7Confident89.3Confident123 Ų12395.9 Ų95.961%0.60651%0.507SS*.Hα-helixtrans-58.9-42178.6-71.9-68.2-66.200112.9A153 R154 H161A153-M157 WeakPolarHBondContact O-CB 3.5Å; A153-M157 VanDerWaalsContact O-CG 3.24Å; A153-M157 WeakPolarHBondContact O-CG 3.45Å; A153-M157 PolarHBondContact O-N 3.24Å; R154-M157 PolarHBondContact O-N 3.17Å; M157-H161 PolarHBondContact O-CD2 3.42Å; M157-H161 PolarHBondContact O-N 2.97Å; M157-H161 VanDerWaalsContact O-N 3.15Å
158V91.5Very high88.8Confident84 Ų8498 Ų9851%0.50952%0.519SS..Hα-helixtrans-68.1-45.3176.6173.80000110.6R154 L155 C156 S160 H161 L162R154-V158 WeakPolarHBondContact O-CG2 3.24Å; R154-V158 PolarHBondContact O-N 3.15Å; L155-V158 PolarHBondContact O-N 3.01Å; C156-V158 VanDerWaalsContact C-N 3.34Å; C156-V158 PolarHBondContact O-N 3.31Å; V158-S160 VanDerWaalsContact C-N 3.3Å; V158-S160 PolarHBondContact O-N 2.83Å; V158-H161 PolarHBondContact O-N 3.48Å; V158-L162 HydrophobicContact CG1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CG 4.35Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.26Å
159S86.2Confident87.9Confident60 Ų6097.4 Ų97.442%0.4252%0.517SS..Hα-helixtrans-61.5-37.6178.771.90000112.4L155 C156 L162 K163L155-S159 VanDerWaalsContact O-CB 3.3Å; L155-S159 WeakPolarHBondContact O-CB 3.39Å; L155-S159 PolarHBondContact O-N 2.86Å; L155-S159 PolarHBondContact O-OG 3.37Å; C156-S159 WeakPolarHBondContact CA-OG 3.46Å; C156-S159 PolarHBondContact O-N 3.37Å; C156-S159 PolarHBondContact O-OG 3.2Å; S159-L162 PolarHBondContact O-N 3.03Å; S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 PolarHBondContact O-N 3.36Å
160S91.9Very high87.1Confident74 Ų7498.3 Ų98.352%0.51752%0.519SS..Hα-helixtrans-65.9-42.7175.1-59.60000111.6C156 V158 K163 E164C156-S160 PolarHBondContact O-N 3.35Å; C156-S160 PolarHBondContact O-OG 3.35Å; V158-S160 VanDerWaalsContact C-N 3.3Å; V158-S160 PolarHBondContact O-N 2.83Å; S160-K163 PolarHBondContact O-N 2.93Å; S160-E164 PolarHBondContact O-N 2.93Å
161H82.9Confident86.5Confident133 Ų13398.4 Ų98.462%0.61652%0.517SS*.Hα-helixtrans-62.9-42.2174.3-95.4-71.5000112.1M157 V158 K163 E164 T165M157-H161 PolarHBondContact O-CD2 3.42Å; M157-H161 PolarHBondContact O-N 2.97Å; M157-H161 VanDerWaalsContact O-N 3.15Å; V158-H161 PolarHBondContact O-N 3.48Å; H161-K163 VanDerWaalsContact C-N 3.34Å; H161-K163 PolarHBondContact O-N 3.49Å; H161-E164 PolarHBondContact O-N 3.35Å; H161-T165 WeakPolarHBondContact O-CG2 3.42Å; H161-T165 PolarHBondContact O-N 3.47Å; H161-T165 PolarHBondContact O-OG1 3.46Å
162L80Confident85.6Confident107 Ų10798.9 Ų98.956%0.5652%0.515SS*.Hα-helixtrans-62.3-42.6177-72177000111.5V158 S159 E164 T165 E166V158-L162 HydrophobicContact CG1-CD1 4.12Å; V158-L162 HydrophobicContact CG1-CG 4.35Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.26Å; S159-L162 PolarHBondContact O-N 3.03Å; L162-E164 VanDerWaalsContact C-N 3.31Å; L162-E164 PolarHBondContact O-N 2.9Å; L162-T165 VanDerWaalsContact CA-OG1 3.3Å; L162-T165 WeakPolarHBondContact CA-OG1 3.3Å; L162-T165 PolarHBondContact O-N 3.01Å; L162-T165 PolarHBondContact O-OG1 3.49Å; L162-E166 WeakPolarHBondContact O-CB 3.5Å; L162-E166 PolarHBondContact O-N 2.81Å
163K87.1Confident84.3Confident150 Ų150100.4 Ų100.465%0.65252%0.516SS*.Hα-helixtrans-62.1-38.5176.2-170.1174.7-177.7176.60112.4S159 S160 H161 E166 K167S159-K163 WeakPolarHBondContact O-CB 3.42Å; S159-K163 PolarHBondContact O-N 3.36Å; S160-K163 PolarHBondContact O-N 2.93Å; H161-K163 VanDerWaalsContact C-N 3.34Å; H161-K163 PolarHBondContact O-N 3.49Å; K163-E166 PolarHBondContact O-N 3.37Å; K163-K167 WeakPolarHBondContact O-CB 3.41Å; K163-K167 PolarHBondContact O-N 2.88Å
164E88.7Confident83.2Confident111 Ų111106.9 Ų106.952%0.51953%0.53SS..Hα-helixtrans-68.4-39175-161.263.1-154.300111.5S160 H161 L162 K167 T168S160-E164 PolarHBondContact O-N 2.93Å; H161-E164 PolarHBondContact O-N 3.35Å; L162-E164 VanDerWaalsContact C-N 3.31Å; L162-E164 PolarHBondContact O-N 2.9Å; E164-K167 PolarHBondContact O-N 2.7Å; E164-T168 WeakPolarHBondContact O-CB 3.47Å; E164-T168 PolarHBondContact O-N 3.32Å; E164-T168 PolarHBondContact O-OG1 2.88Å
165T82.9Confident82Confident68 Ų68105.5 Ų105.542%0.41754%0.535SS..Hα-helixtrans-67.7-38.4174.956.80000112.4H161 L162 T168 I169H161-T165 WeakPolarHBondContact O-CG2 3.42Å; H161-T165 PolarHBondContact O-N 3.47Å; H161-T165 PolarHBondContact O-OG1 3.46Å; L162-T165 VanDerWaalsContact CA-OG1 3.3Å; L162-T165 WeakPolarHBondContact CA-OG1 3.3Å; L162-T165 PolarHBondContact O-N 3.01Å; L162-T165 PolarHBondContact O-OG1 3.49Å; T165-T168 PolarHBondContact O-N 2.98Å; T165-I169 WeakPolarHBondContact O-CB 3.29Å; T165-I169 WeakPolarHBondContact O-CD1 3.42Å; T165-I169 WeakPolarHBondContact O-CG1 3.23Å; T165-I169 PolarHBondContact O-N 3.43Å
166E85.6Confident80.7Confident133 Ų133103.7 Ų103.762%0.62152%0.523SS*.Hα-helixtrans-60.7-47.6174.4-178.7-173.2177.400110.3L162 K163 T168 I169 N170L162-E166 WeakPolarHBondContact O-CB 3.5Å; L162-E166 PolarHBondContact O-N 2.81Å; K163-E166 PolarHBondContact O-N 3.37Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.31Å; E166-I169 PolarHBondContact O-N 3.42Å; E166-N170 VanDerWaalsContact O-CB 3.23Å; E166-N170 WeakPolarHBondContact O-CB 3.2Å; E166-N170 PolarHBondContact O-N 2.79Å
167K86.4Confident79.3Confident124 Ų124102.4 Ų102.454%0.53952%0.52SS..Hα-helixtrans-59.9-43.9176.7-172.8-177175.2-167.70111.9K163 E164 N170 E171K163-K167 WeakPolarHBondContact O-CB 3.41Å; K163-K167 PolarHBondContact O-N 2.88Å; E164-K167 PolarHBondContact O-N 2.7Å; K167-N170 PolarHBondContact O-N 3.17Å; K167-E171 VanDerWaalsContact O-CB 3.29Å; K167-E171 WeakPolarHBondContact O-CB 3.38Å; K167-E171 PolarHBondContact O-N 2.82Å
168T82.3Confident77.9Confident87 Ų87103 Ų10353%0.53453%0.525SS..Hα-helixtrans-64.4-43.4178.6-54.90000111.6E164 T165 E166 E171 F172E164-T168 WeakPolarHBondContact O-CB 3.47Å; E164-T168 PolarHBondContact O-N 3.32Å; E164-T168 PolarHBondContact O-OG1 2.88Å; T165-T168 PolarHBondContact O-N 2.98Å; E166-T168 VanDerWaalsContact C-N 3.33Å; E166-T168 PolarHBondContact O-N 3.31Å; T168-E171 PolarHBondContact O-N 3.4Å; T168-F172 WeakPolarHBondContact O-CB 3.49Å; T168-F172 PolarHBondContact O-N 2.97Å
169I76.8Confident76.5Confident92 Ų92107.3 Ų107.347%0.47254%0.539SS..Hα-helixtrans-66.4-45.9177.7-70.6166.1000110.6T165 E166 E171 F172 F173T165-I169 WeakPolarHBondContact O-CB 3.29Å; T165-I169 WeakPolarHBondContact O-CD1 3.42Å; T165-I169 WeakPolarHBondContact O-CG1 3.23Å; T165-I169 PolarHBondContact O-N 3.43Å; E166-I169 PolarHBondContact O-N 3.42Å; I169-E171 VanDerWaalsContact C-N 3.28Å; I169-E171 PolarHBondContact O-N 3.08Å; I169-F172 WeakPolarHBondContact O-CB 3.47Å; I169-F172 PolarHBondContact O-N 2.94Å; I169-F173 HydrophobicContact CG2-CD2 3.59Å; I169-F173 HydrophobicContact CG2-CE2 3.36Å; I169-F173 WeakPolarHBondContact O-CD2 3.43Å; I169-F173 PolarHBondContact O-N 2.89Å
170N76.2Confident75.4Confident108 Ų108110.7 Ų110.758%0.57855%0.547SS*.Hα-helixtrans-62.2-37.7177.8-176.368.4000111.5E166 K167 R174E166-N170 VanDerWaalsContact O-CB 3.23Å; E166-N170 WeakPolarHBondContact O-CB 3.2Å; E166-N170 PolarHBondContact O-N 2.79Å; K167-N170 PolarHBondContact O-N 3.17Å; N170-R174 VanDerWaalsContact O-CB 3.3Å; N170-R174 WeakPolarHBondContact O-CB 3.48Å; N170-R174 PolarHBondContact O-N 3.45Å; N170-R174 VanDerWaalsContact O-N 3.08Å
171E80.5Confident74.1Confident91 Ų91111.3 Ų111.343%0.42554%0.544SS..Hα-helixtrans-67.8-42.6173.5-172.3138.1-147.500111.8K167 T168 I169 F173 R174 T175K167-E171 VanDerWaalsContact O-CB 3.29Å; K167-E171 WeakPolarHBondContact O-CB 3.38Å; K167-E171 PolarHBondContact O-N 2.82Å; T168-E171 PolarHBondContact O-N 3.4Å; I169-E171 VanDerWaalsContact C-N 3.28Å; I169-E171 PolarHBondContact O-N 3.08Å; E171-F173 PolarHBondContact O-N 2.94Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CB 3.3Å; E171-R174 PolarHBondContact O-N 2.89Å; E171-R174 IonicContact OE1-NH2 2.85Å; E171-T175 HydrophobicContact CG-CG2 4.28Å; E171-T175 PolarHBondContact O-N 3.19Å; E171-T175 PolarHBondContact O-OG1 3.21Å
172F69Low73.2Confident98 Ų98109.3 Ų109.343%0.4353%0.534SS..Hα-helixtrans-56.5-47.6174.5-173.7-97.2000112T168 I169 R174 T175 E176T168-F172 WeakPolarHBondContact O-CB 3.49Å; T168-F172 PolarHBondContact O-N 2.97Å; I169-F172 WeakPolarHBondContact O-CB 3.47Å; I169-F172 PolarHBondContact O-N 2.94Å; F172-R174 VanDerWaalsContact C-N 3.28Å; F172-R174 PolarHBondContact O-N 3.43Å; F172-T175 PolarHBondContact O-N 2.85Å; F172-E176 HydrophobicContact CE2-CB 4.5Å; F172-E176 WeakPolarHBondContact CE2-OE2 3.38Å; F172-E176 WeakPolarHBondContact CZ-OE2 3.31Å; F172-E176 CarbonylContact O-C 3.54Å; F172-E176 WeakPolarHBondContact O-CA 3.16Å; F172-E176 WeakPolarHBondContact O-CB 3.39Å; F172-E176 PolarHBondContact O-N 3.05Å
173F67.9Low72.5Confident108 Ų108110.9 Ų110.947%0.47454%0.537SS..Hα-helixtrans-65.9-29.2175.5-76.7-65.8000113.4I169 E171 L181I169-F173 HydrophobicContact CG2-CD2 3.59Å; I169-F173 HydrophobicContact CG2-CE2 3.36Å; I169-F173 WeakPolarHBondContact O-CD2 3.43Å; I169-F173 PolarHBondContact O-N 2.89Å; E171-F173 PolarHBondContact O-N 2.94Å; F173-L181 HydrophobicContact CE1-CD1 4.21Å; F173-L181 HydrophobicContact CE1-CD2 4.15Å
174R69.7Low71.4Confident185 Ų185106.5 Ų106.570%0.69853%0.529SS*.Hα-helixtrans-78.3-35.7179.1-163.7-176.975.2113.90.3112.7N170 E171 F172N170-R174 VanDerWaalsContact O-CB 3.3Å; N170-R174 WeakPolarHBondContact O-CB 3.48Å; N170-R174 PolarHBondContact O-N 3.45Å; N170-R174 VanDerWaalsContact O-N 3.08Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CB 3.3Å; E171-R174 PolarHBondContact O-N 2.89Å; E171-R174 IonicContact OE1-NH2 2.85Å; F172-R174 VanDerWaalsContact C-N 3.28Å; F172-R174 PolarHBondContact O-N 3.43Å
175T65.4Low70.2Confident90 Ų90107.5 Ų107.555%0.55253%0.531SS*.Hα-helixtrans-96.3-29.5-176.656.60000113.4E171 F172E171-T175 HydrophobicContact CG-CG2 4.28Å; E171-T175 PolarHBondContact O-N 3.19Å; E171-T175 PolarHBondContact O-OG1 3.21Å; F172-T175 PolarHBondContact O-N 2.85Å
176E63.4Low69.3Low87 Ų87108.1 Ų108.141%0.40753%0.532SS..SBendtrans-122.280.9178.1-67.6-175.2-177.900108.4F172 K180F172-E176 HydrophobicContact CE2-CB 4.5Å; F172-E176 WeakPolarHBondContact CE2-OE2 3.38Å; F172-E176 WeakPolarHBondContact CZ-OE2 3.31Å; F172-E176 CarbonylContact O-C 3.54Å; F172-E176 WeakPolarHBondContact O-CA 3.16Å; F172-E176 WeakPolarHBondContact O-CB 3.39Å; F172-E176 PolarHBondContact O-N 3.05Å; E176-K180 HydrophobicContact CB-CB 4.42Å; E176-K180 HydrophobicContact CB-CG 4.44Å
177G62.1Low68.3Low37 Ų37106.7 Ų106.738%0.38153%0.528SS..  trans-57.9176.1-176.800000114.9E179 K180G177-E179 PolarHBondContact O-N 3.33Å; G177-K180 PolarHBondContact O-N 2.93Å
178I60.2Low67Low136 Ų136102.6 Ų102.670%0.69752%0.517SS*.Hα-helixtrans-38.6-27.8178.8-63.5165.7000113.7Q182I178-Q182 WeakPolarHBondContact O-CB 3.43Å; I178-Q182 PolarHBondContact O-N 3.43Å
179E61.9Low65.9Low174 Ų174105.3 Ų105.381%0.81352%0.522SS*.Hα-helixtrans-63.2-39.2176.7-65.2-175.3157.800115.1G177 K183G177-E179 PolarHBondContact O-N 3.33Å; E179-K183 WeakPolarHBondContact O-CB 3.47Å; E179-K183 PolarHBondContact O-N 3.45Å
180K62Low64.9Low132 Ų132105.2 Ų105.257%0.57453%0.529SS*.Hα-helixtrans-79.6-35.6178.8-70.9-84.3177.6155.60111.3E176 G177 K183 A184E176-K180 HydrophobicContact CB-CB 4.42Å; E176-K180 HydrophobicContact CB-CG 4.44Å; G177-K180 PolarHBondContact O-N 2.93Å; K180-K183 PolarHBondContact O-N 3.32Å; K180-A184 WeakPolarHBondContact O-CB 3.37Å; K180-A184 PolarHBondContact O-N 3.15Å
181L64.9Low64Low87 Ų87103.6 Ų103.646%0.45552%0.52SS..Hα-helixtrans-66.1-43.7174.2-162.886.9000111.4F173 K183 A184 F185F173-L181 HydrophobicContact CE1-CD1 4.21Å; F173-L181 HydrophobicContact CE1-CD2 4.15Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.38Å; L181-A184 PolarHBondContact O-N 2.87Å; L181-F185 WeakPolarHBondContact O-CB 3.41Å; L181-F185 PolarHBondContact O-N 3.02Å
182Q63.8Low62.5Low91 Ų91104.2 Ų104.243%0.42553%0.532SS..Hα-helixtrans-64.1-40.5176.4-170.263.438.200111I178 F185 D186I178-Q182 WeakPolarHBondContact O-CB 3.43Å; I178-Q182 PolarHBondContact O-N 3.43Å; Q182-F185 PolarHBondContact O-N 3.33Å; Q182-D186 PolarHBondContact NE2-OD1 3.3Å; Q182-D186 WeakPolarHBondContact O-CB 3.38Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.04Å
183K66.2Low61.6Low139 Ų139105.3 Ų105.360%0.60454%0.541SS*.Hα-helixtrans-65.6-38.5175.4-168.3171.6-175.1173.80112.5E179 K180 L181 I187E179-K183 WeakPolarHBondContact O-CB 3.47Å; E179-K183 PolarHBondContact O-N 3.45Å; K180-K183 PolarHBondContact O-N 3.32Å; L181-K183 VanDerWaalsContact C-N 3.34Å; L181-K183 PolarHBondContact O-N 3.38Å; K183-I187 HydrophobicContact CG-CD1 4.22Å; K183-I187 WeakPolarHBondContact O-CB 3.43Å; K183-I187 WeakPolarHBondContact O-CD1 3.47Å; K183-I187 WeakPolarHBondContact O-CG1 3.29Å; K183-I187 PolarHBondContact O-N 2.88Å
184A63.7Low60.6Low59 Ų59107 Ų10749%0.48855%0.548SS..Hα-helixtrans-68.7-37.217400000112.2K180 L181 I187 A188K180-A184 WeakPolarHBondContact O-CB 3.37Å; K180-A184 PolarHBondContact O-N 3.15Å; L181-A184 PolarHBondContact O-N 2.87Å; A184-I187 PolarHBondContact O-N 2.81Å; A184-A188 WeakPolarHBondContact O-CB 3.36Å; A184-A188 PolarHBondContact O-N 3.39Å
185F64.3Low59.6Low131 Ų131102.5 Ų102.558%0.57554%0.541SS*.Hα-helixtrans-66.8-42.3174.2-176.9-96.1000112.2L181 Q182 A188 K189L181-F185 WeakPolarHBondContact O-CB 3.41Å; L181-F185 PolarHBondContact O-N 3.02Å; Q182-F185 PolarHBondContact O-N 3.33Å; F185-A188 WeakPolarHBondContact O-CB 3.05Å; F185-A188 PolarHBondContact O-N 3.49Å; F185-K189 PolarHBondContact O-N 3.38Å
186D63.3Low59Low82 Ų82100.9 Ų100.944%0.43953%0.533SS..Hα-helixtrans-67.2-36.3175.8-72.8-22.9000111.6Q182 K189 S190Q182-D186 PolarHBondContact NE2-OD1 3.3Å; Q182-D186 WeakPolarHBondContact O-CB 3.38Å; Q182-D186 VanDerWaalsContact O-CG 3.26Å; Q182-D186 PolarHBondContact O-N 3.04Å; D186-K189 WeakPolarHBondContact O-CB 3.34Å; D186-K189 PolarHBondContact O-N 2.84Å; D186-S190 PolarHBondContact O-N 3.46Å
187I64.3Low58.7Low102 Ų102100.3 Ų100.352%0.52354%0.544SS..Hα-helixtrans-66.4-41.6170.8-68.5164.3000110.5K183 A184 K189 S190K183-I187 HydrophobicContact CG-CD1 4.22Å; K183-I187 WeakPolarHBondContact O-CB 3.43Å; K183-I187 WeakPolarHBondContact O-CD1 3.47Å; K183-I187 WeakPolarHBondContact O-CG1 3.29Å; K183-I187 PolarHBondContact O-N 2.88Å; A184-I187 PolarHBondContact O-N 2.81Å; I187-K189 VanDerWaalsContact C-N 3.29Å; I187-K189 PolarHBondContact O-N 2.91Å; I187-S190 WeakPolarHBondContact O-CB 3.28Å; I187-S190 PolarHBondContact O-N 3.46Å; I187-S190 VanDerWaalsContact O-N 3.09Å; I187-S190 PolarHBondContact O-OG 3.27Å
188A60Low58.4Low39 Ų39107 Ų10732%0.32256%0.562SS.*Hα-helixtrans-63.4-33.9176.300000112.7A184 F185 S190 I191A184-A188 WeakPolarHBondContact O-CB 3.36Å; A184-A188 PolarHBondContact O-N 3.39Å; F185-A188 WeakPolarHBondContact O-CB 3.05Å; F185-A188 PolarHBondContact O-N 3.49Å; A188-S190 PolarHBondContact O-N 3.5Å; A188-I191 HydrophobicContact CB-CD1 4.45Å; A188-I191 WeakPolarHBondContact O-CB 3.34Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.89Å; A188-I191 VanDerWaalsContact O-N 3.1Å
189K58Low58.1Low144 Ų144103 Ų10363%0.62654%0.544SS*.Hα-helixtrans-64.5-24.2174-167.8175-178.2175.20113.2F185 D186 I187 I191F185-K189 PolarHBondContact O-N 3.38Å; D186-K189 WeakPolarHBondContact O-CB 3.34Å; D186-K189 PolarHBondContact O-N 2.84Å; I187-K189 VanDerWaalsContact C-N 3.29Å; I187-K189 PolarHBondContact O-N 2.91Å; K189-I191 VanDerWaalsContact C-N 3.31Å
190S55.6Low57.9Low90 Ų9097.8 Ų97.863%0.62953%0.525SS*.THydrogen-bonded Turntrans-81.9-5.3174.9750000114D186 I187 A188 P192D186-S190 PolarHBondContact O-N 3.46Å; I187-S190 WeakPolarHBondContact O-CB 3.28Å; I187-S190 PolarHBondContact O-N 3.46Å; I187-S190 VanDerWaalsContact O-N 3.09Å; I187-S190 PolarHBondContact O-OG 3.27Å; A188-S190 PolarHBondContact O-N 3.5Å; S190-P192 WeakPolarHBondContact O-CD 3.39Å
191I58.3Low57.9Low73 Ų7396.2 Ų96.237%0.37452%0.519SS..SBendtrans-79117.8176.2-56173.8000108.8A188 K189 I193 F194A188-I191 HydrophobicContact CB-CD1 4.45Å; A188-I191 WeakPolarHBondContact O-CB 3.34Å; A188-I191 WeakPolarHBondContact O-CG1 3.37Å; A188-I191 PolarHBondContact O-N 2.89Å; A188-I191 VanDerWaalsContact O-N 3.1Å; K189-I191 VanDerWaalsContact C-N 3.31Å; I191-I193 HydrophobicContact CG2-CB 4.18Å; I191-I193 HydrophobicContact CG2-CD1 4.08Å; I191-I193 HydrophobicContact CG2-CG1 3.98Å; I191-I193 PolarHBondContact O-N 2.91Å; I191-F194 PolarHBondContact O-N 3.25Å
192P48.2Very low57.6Low104 Ų10499.1 Ų99.168%0.67553%0.528SS*.THydrogen-bonded Turntrans-68.111.1-173.225.4-33.2000115.7S190S190-P192 WeakPolarHBondContact O-CD 3.39Å
193I51.5Low57.4Low121 Ų12197.2 Ų97.262%0.62153%0.528SS*.THydrogen-bonded Turntrans-85.2-31.9175.1-57.4176.5000110.9I191 T199I191-I193 HydrophobicContact CG2-CB 4.18Å; I191-I193 HydrophobicContact CG2-CD1 4.08Å; I191-I193 HydrophobicContact CG2-CG1 3.98Å; I191-I193 PolarHBondContact O-N 2.91Å; I193-T199 PolarHBondContact O-OG1 3.11Å; I193-T199 VanDerWaalsContact O-OG1 3.05Å
194F46.6Very low57.2Low145 Ų14595.9 Ų95.964%0.63652%0.523SS*.SBendtrans-93.6-9.8-177.6-75.5-84.1000114.7I191I191-F194 PolarHBondContact O-N 3.25Å
195T48.3Very low57.2Low90 Ų9096.8 Ų96.855%0.55252%0.522SS*.SBendtrans-104.1-1.4-178.554.80000114.2A197T195-A197 PolarHBondContact O-N 2.93Å
196S52.2Low57.2Low55 Ų5593.5 Ų93.539%0.38551%0.513SS..SBendtrans-63.4129.3173.21730000109.4K198 T199 V200S196-K198 PolarHBondContact O-N 3.28Å; S196-K198 PolarHBondContact OG-N 3.31Å; S196-T199 PolarHBondContact O-N 3.33Å; S196-V200 PolarHBondContact O-N 2.89Å
197A58.5Low57Low76 Ų7696.4 Ų96.463%0.62852%0.524SS*.Hα-helixtrans-48.9-29.6174.900000112T195 V200 E201T195-A197 PolarHBondContact O-N 2.93Å; A197-V200 PolarHBondContact O-N 2.94Å; A197-E201 VanDerWaalsContact O-CG 3.31Å; A197-E201 WeakPolarHBondContact O-CG 3.47Å; A197-E201 PolarHBondContact O-N 3.48Å
198K54.2Low56.9Low176 Ų17697.8 Ų97.877%0.76553%0.526SS*.Hα-helixtrans-68.9-33.2177-138.3172.6-173.3173.90113.6S196 F202S196-K198 PolarHBondContact O-N 3.28Å; S196-K198 PolarHBondContact OG-N 3.31Å; K198-F202 VanDerWaalsContact O-CB 3.28Å; K198-F202 WeakPolarHBondContact O-CB 3.13Å; K198-F202 PolarHBondContact O-N 2.93Å
199T54.3Low57Low52 Ų52102.5 Ų102.532%0.31954%0.539SS..Hα-helixtrans-78.3-33.8176.8-40.60000111.1I193 S196 A203I193-T199 PolarHBondContact O-OG1 3.11Å; I193-T199 VanDerWaalsContact O-OG1 3.05Å; S196-T199 PolarHBondContact O-N 3.33Å; T199-A203 WeakPolarHBondContact O-CB 3.27Å; T199-A203 PolarHBondContact O-N 2.95Å
200V58.9Low57.4Low66 Ų6699.7 Ų99.740%0.453%0.534SS..Hα-helixtrans-67.7-44.3174171.30000111.2S196 A197 A203 K204S196-V200 PolarHBondContact O-N 2.89Å; A197-V200 PolarHBondContact O-N 2.94Å; V200-A203 PolarHBondContact O-N 2.6Å; V200-K204 HydrophobicContact CG1-CD 4.49Å; V200-K204 WeakPolarHBondContact O-CG 3.26Å; V200-K204 PolarHBondContact O-N 3.29Å
201E61.5Low57.8Low99 Ų99102.1 Ų102.146%0.46354%0.537SS..Hα-helixtrans-67.1-39.3175.1-67.6-54131.300111.8A197 A203 K204 V205A197-E201 VanDerWaalsContact O-CG 3.31Å; A197-E201 WeakPolarHBondContact O-CG 3.47Å; A197-E201 PolarHBondContact O-N 3.48Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 3.46Å; E201-K204 PolarHBondContact O-N 2.86Å; E201-K204 IonicContact OE1-NZ 3.78Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; E201-V205 WeakPolarHBondContact O-CB 3.14Å; E201-V205 VanDerWaalsContact O-CG2 3.26Å; E201-V205 WeakPolarHBondContact O-CG2 3.37Å; E201-V205 PolarHBondContact O-N 3.48Å
202F57.2Low58.4Low147 Ų147101.6 Ų101.665%0.64553%0.533SS*.Hα-helixtrans-64.8-37.8172.6-171.1-96.3000112.3K198 V205 T206K198-F202 VanDerWaalsContact O-CB 3.28Å; K198-F202 WeakPolarHBondContact O-CB 3.13Å; K198-F202 PolarHBondContact O-N 2.93Å; F202-V205 PolarHBondContact O-N 2.77Å; F202-T206 VanDerWaalsContact O-CB 3.3Å; F202-T206 WeakPolarHBondContact O-CB 3.49Å; F202-T206 PolarHBondContact O-N 2.88Å; F202-T206 PolarHBondContact O-OG1 2.76Å
203A61.2Low59.1Low52 Ų52103 Ų10343%0.4353%0.529SS..Hα-helixtrans-66.9-40.717500000112T199 V200 E201 T206 Q207T199-A203 WeakPolarHBondContact O-CB 3.27Å; T199-A203 PolarHBondContact O-N 2.95Å; V200-A203 PolarHBondContact O-N 2.6Å; E201-A203 VanDerWaalsContact C-N 3.34Å; E201-A203 PolarHBondContact O-N 3.46Å; A203-T206 PolarHBondContact O-N 2.98Å; A203-Q207 VanDerWaalsContact O-CB 3.27Å; A203-Q207 WeakPolarHBondContact O-CB 3.3Å; A203-Q207 PolarHBondContact O-N 2.73Å
204K61.6Low59.7Low111 Ų11199.8 Ų99.848%0.48352%0.52SS..Hα-helixtrans-62.5-45.2172.2-73.2174.4-174.1170.30111.7V200 E201 T206 Q207 F208V200-K204 HydrophobicContact CG1-CD 4.49Å; V200-K204 WeakPolarHBondContact O-CG 3.26Å; V200-K204 PolarHBondContact O-N 3.29Å; E201-K204 PolarHBondContact O-N 2.86Å; E201-K204 IonicContact OE1-NZ 3.78Å; E201-K204 PolarHBondContact OE1-NZ 3.49Å; K204-T206 VanDerWaalsContact C-N 3.33Å; K204-T206 PolarHBondContact O-N 2.94Å; K204-Q207 PolarHBondContact O-N 2.85Å; K204-F208 VanDerWaalsContact O-CB 3.23Å; K204-F208 WeakPolarHBondContact O-CB 3.46Å; K204-F208 PolarHBondContact O-N 2.92Å
205V63.8Low60.8Low78 Ų7897.7 Ų97.747%0.47351%0.508SS..Hα-helixtrans-62.9-41.3175.8170.80000110.8E201 F202 K209E201-V205 WeakPolarHBondContact O-CB 3.14Å; E201-V205 VanDerWaalsContact O-CG2 3.26Å; E201-V205 WeakPolarHBondContact O-CG2 3.37Å; E201-V205 PolarHBondContact O-N 3.48Å; F202-V205 PolarHBondContact O-N 2.77Å; V205-K209 HydrophobicContact CG1-CG 4.29Å; V205-K209 VanDerWaalsContact O-CB 3.26Å; V205-K209 WeakPolarHBondContact O-CB 3.14Å; V205-K209 WeakPolarHBondContact O-CG 3.38Å; V205-K209 PolarHBondContact O-N 3.35Å
206T63.3Low61.4Low62 Ų6297.8 Ų97.838%0.3850%0.502SS..Hα-helixtrans-66.9-44.1177.5-55.70000110.9F202 A203 K204 K209 T210F202-T206 VanDerWaalsContact O-CB 3.3Å; F202-T206 WeakPolarHBondContact O-CB 3.49Å; F202-T206 PolarHBondContact O-N 2.88Å; F202-T206 PolarHBondContact O-OG1 2.76Å; A203-T206 PolarHBondContact O-N 2.98Å; K204-T206 VanDerWaalsContact C-N 3.33Å; K204-T206 PolarHBondContact O-N 2.94Å; T206-K209 PolarHBondContact O-N 3.45Å; T206-T210 VanDerWaalsContact O-CB 3.28Å; T206-T210 WeakPolarHBondContact O-CB 3.43Å; T206-T210 PolarHBondContact O-N 2.85Å; T206-T210 PolarHBondContact O-OG1 3.38Å
207Q59.4Low62.1Low143 Ų14399.4 Ų99.467%0.66851%0.506SS*.Hα-helixtrans-63.7-45.9176.8-171.4-178.6-0.500111.2A203 K204 T210 M211A203-Q207 VanDerWaalsContact O-CB 3.27Å; A203-Q207 WeakPolarHBondContact O-CB 3.3Å; A203-Q207 PolarHBondContact O-N 2.73Å; K204-Q207 PolarHBondContact O-N 2.85Å; Q207-T210 PolarHBondContact O-N 2.88Å; Q207-M211 WeakPolarHBondContact O-CB 3.19Å; Q207-M211 PolarHBondContact O-N 3.29Å
208F63.2Low62.5Low130 Ų130101.1 Ų101.157%0.5750%0.501SS*.Hα-helixtrans-61.3-45.9176.4-177.9-95.7000111.6K204 T210 M211 E212K204-F208 VanDerWaalsContact O-CB 3.23Å; K204-F208 WeakPolarHBondContact O-CB 3.46Å; K204-F208 PolarHBondContact O-N 2.92Å; F208-T210 VanDerWaalsContact C-N 3.33Å; F208-T210 PolarHBondContact O-N 2.83Å; F208-M211 PolarHBondContact O-N 2.79Å; F208-E212 WeakPolarHBondContact O-CB 3.34Å; F208-E212 PolarHBondContact O-N 3.38Å
209K60.4Low63Low139 Ų13998 Ų9860%0.60449%0.489SS*.Hα-helixtrans-66.9-33.3177.2-71.2-71.4-177.4-176.70112.9V205 T206 F213V205-K209 HydrophobicContact CG1-CG 4.29Å; V205-K209 VanDerWaalsContact O-CB 3.26Å; V205-K209 WeakPolarHBondContact O-CB 3.14Å; V205-K209 WeakPolarHBondContact O-CG 3.38Å; V205-K209 PolarHBondContact O-N 3.35Å; T206-K209 PolarHBondContact O-N 3.45Å; K209-F213 VanDerWaalsContact O-CB 3.29Å; K209-F213 WeakPolarHBondContact O-CB 3.47Å; K209-F213 PolarHBondContact O-N 3.34Å
210T66.9Low63.2Low84 Ų84101 Ų10152%0.51550%0.502SS..Hα-helixtrans-72.5-37.8176.8-51.60000111T206 Q207 F208 F213 A214T206-T210 VanDerWaalsContact O-CB 3.28Å; T206-T210 WeakPolarHBondContact O-CB 3.43Å; T206-T210 PolarHBondContact O-N 2.85Å; T206-T210 PolarHBondContact O-OG1 3.38Å; Q207-T210 PolarHBondContact O-N 2.88Å; F208-T210 VanDerWaalsContact C-N 3.33Å; F208-T210 PolarHBondContact O-N 2.83Å; T210-F213 PolarHBondContact O-N 3.43Å; T210-A214 WeakPolarHBondContact O-CB 3.34Å; T210-A214 PolarHBondContact O-N 3.48Å
211M65.6Low63.1Low142 Ų142100.4 Ų100.470%0.750%0.504SS*.Hα-helixtrans-66.4-41173.4-175.7174.8160.300111.5Q207 F208 A214 R215Q207-M211 WeakPolarHBondContact O-CB 3.19Å; Q207-M211 PolarHBondContact O-N 3.29Å; F208-M211 PolarHBondContact O-N 2.79Å; M211-A214 PolarHBondContact O-N 2.82Å; M211-R215 PolarHBondContact O-N 2.8Å
212E69.4Low63Low61 Ų61104.8 Ų104.829%0.28552%0.516SS..Hα-helixtrans-66.3-41.1175.8-161.462.3-150.100111.7F208 R215 H216F208-E212 WeakPolarHBondContact O-CB 3.34Å; F208-E212 PolarHBondContact O-N 3.38Å; E212-R215 WeakPolarHBondContact O-CB 3.49Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-R215 IonicContact OE1-CZ 3.95Å; E212-R215 VanDerWaalsContact OE1-CZ 3.22Å; E212-R215 IonicContact OE1-NE 3.94Å; E212-R215 PolarHBondContact OE1-NE 3.21Å; E212-R215 IonicContact OE1-NH2 3.92Å; E212-R215 PolarHBondContact OE1-NH2 2.7Å; E212-R215 IonicContact OE2-NE 2.94Å; E212-H216 PolarHBondContact O-CD2 2.82Å; E212-H216 PolarHBondContact O-N 3.3Å; E212-H216 IonicContact OE1-NE2 3.29Å
213F63.5Low63Low134 Ų134101.9 Ų101.959%0.58851%0.514SS*.Hα-helixtrans-64.1-40.2174.2-175.6-112000112K209 T210 R215 H216 I217K209-F213 VanDerWaalsContact O-CB 3.29Å; K209-F213 WeakPolarHBondContact O-CB 3.47Å; K209-F213 PolarHBondContact O-N 3.34Å; T210-F213 PolarHBondContact O-N 3.43Å; F213-R215 VanDerWaalsContact C-N 3.34Å; F213-H216 PolarHBondContact O-N 2.88Å; F213-I217 HydrophobicContact CD1-CD1 3.66Å; F213-I217 HydrophobicContact CE1-CD1 3.3Å; F213-I217 HydrophobicContact CE1-CG1 4.3Å; F213-I217 HydrophobicContact CE2-CD1 4.42Å; F213-I217 HydrophobicContact CG-CD1 4.38Å; F213-I217 HydrophobicContact CZ-CD1 3.72Å; F213-I217 HydrophobicContact CZ-CG1 4.34Å; F213-I217 WeakPolarHBondContact O-CG1 3.47Å; F213-I217 PolarHBondContact O-N 2.83Å
214A63.6Low62.6Low53 Ų53104.1 Ų104.144%0.43852%0.518SS..Hα-helixtrans-63.3-39173.500000111.9T210 M211 I217 E218T210-A214 WeakPolarHBondContact O-CB 3.34Å; T210-A214 PolarHBondContact O-N 3.48Å; M211-A214 PolarHBondContact O-N 2.82Å; A214-I217 PolarHBondContact O-N 3.18Å; A214-E218 PolarHBondContact O-N 3Å
215R70Confident61.8Low102 Ų102104.5 Ų104.539%0.38553%0.532SS..Hα-helixtrans-63-43.1173.9-166.6-170.168.967.52.8111.6M211 E212 F213 I217 E218 E219M211-R215 PolarHBondContact O-N 2.8Å; E212-R215 WeakPolarHBondContact O-CB 3.49Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-R215 IonicContact OE1-CZ 3.95Å; E212-R215 VanDerWaalsContact OE1-CZ 3.22Å; E212-R215 IonicContact OE1-NE 3.94Å; E212-R215 PolarHBondContact OE1-NE 3.21Å; E212-R215 IonicContact OE1-NH2 3.92Å; E212-R215 PolarHBondContact OE1-NH2 2.7Å; E212-R215 IonicContact OE2-NE 2.94Å; F213-R215 VanDerWaalsContact C-N 3.34Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 2.9Å; R215-E218 PolarHBondContact O-N 3.42Å; R215-E219 IonicContact CZ-OE2 3.87Å; R215-E219 IonicContact NH1-OE2 2.79Å; R215-E219 PolarHBondContact NH1-OE2 3.09Å; R215-E219 WeakPolarHBondContact O-CB 3.28Å; R215-E219 PolarHBondContact O-N 3.42Å
216H61.3Low61Low91 Ų91107.7 Ų107.742%0.42155%0.546SS..Hα-helixtrans-64.4-37174.5-76.6-60000112.8E212 F213 E219 L220E212-H216 PolarHBondContact O-CD2 2.82Å; E212-H216 PolarHBondContact O-N 3.3Å; E212-H216 IonicContact OE1-NE2 3.29Å; F213-H216 PolarHBondContact O-N 2.88Å; H216-E219 PolarHBondContact O-N 3.32Å; H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 PolarHBondContact O-N 3.38Å
217I65.5Low59.9Low90 Ų90109.6 Ų109.646%0.46256%0.559SS.*Hα-helixtrans-66.9-41173.3-71.1168.7000110.9F213 A214 R215 E219 L220 A221F213-I217 HydrophobicContact CD1-CD1 3.66Å; F213-I217 HydrophobicContact CE1-CD1 3.3Å; F213-I217 HydrophobicContact CE1-CG1 4.3Å; F213-I217 HydrophobicContact CE2-CD1 4.42Å; F213-I217 HydrophobicContact CG-CD1 4.38Å; F213-I217 HydrophobicContact CZ-CD1 3.72Å; F213-I217 HydrophobicContact CZ-CG1 4.34Å; F213-I217 WeakPolarHBondContact O-CG1 3.47Å; F213-I217 PolarHBondContact O-N 2.83Å; A214-I217 PolarHBondContact O-N 3.18Å; R215-I217 VanDerWaalsContact C-N 3.34Å; R215-I217 PolarHBondContact O-N 2.9Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 3.48Å; I217-L220 PolarHBondContact O-N 3.45Å; I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.23Å; I217-A221 PolarHBondContact O-N 3.1Å
218E67.6Low59.4Low112 Ų112108.8 Ų108.852%0.52357%0.566SS.*Hα-helixtrans-64.3-38.1176.3-163.3-171.1150.700111.6A214 R215 A221 R222A214-E218 PolarHBondContact O-N 3Å; R215-E218 PolarHBondContact O-N 3.42Å; E218-A221 PolarHBondContact O-N 2.61Å; E218-R222 PolarHBondContact O-N 3.28Å; E218-R222 IonicContact OE1-CZ 2.74Å; E218-R222 IonicContact OE1-NH1 3.89Å; E218-R222 PolarHBondContact OE1-NH1 2.86Å; E218-R222 IonicContact OE1-NH2 2.59Å
219E65.5Low58.4Low109 Ų109109.8 Ų109.851%0.50958%0.577SS.*Hα-helixtrans-70.3-37.1176-162162.1-158.100111.8R215 H216 I217 R222 S223R215-E219 IonicContact CZ-OE2 3.87Å; R215-E219 IonicContact NH1-OE2 2.79Å; R215-E219 PolarHBondContact NH1-OE2 3.09Å; R215-E219 WeakPolarHBondContact O-CB 3.28Å; R215-E219 PolarHBondContact O-N 3.42Å; H216-E219 PolarHBondContact O-N 3.32Å; I217-E219 VanDerWaalsContact C-N 3.32Å; I217-E219 PolarHBondContact O-N 3.48Å; E219-R222 PolarHBondContact O-N 3.05Å; E219-S223 PolarHBondContact O-N 3.37Å; E219-S223 PolarHBondContact O-OG 3.24Å
220L58.7Low57.7Low116 Ų116110 Ų11061%0.60758%0.583SS**Hα-helixtrans-64.6-43.6169.7-124.293.9000111.5H216 I217 R222 S223 I224H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 PolarHBondContact O-N 3.38Å; I217-L220 PolarHBondContact O-N 3.45Å; L220-R222 PolarHBondContact O-N 2.81Å; L220-S223 PolarHBondContact O-N 2.9Å; L220-S223 VanDerWaalsContact O-N 3.15Å; L220-S223 PolarHBondContact O-OG 2.82Å; L220-I224 WeakPolarHBondContact O-CG1 3.34Å; L220-I224 PolarHBondContact O-N 2.95Å
221A56.4Low56.8Low53 Ų53114.5 Ų114.544%0.43860%0.603SS.*Hα-helixtrans-63.8-29.2178.500000112.2I217 E218I217-A221 VanDerWaalsContact O-CB 3.31Å; I217-A221 WeakPolarHBondContact O-CB 3.23Å; I217-A221 PolarHBondContact O-N 3.1Å; E218-A221 PolarHBondContact O-N 2.61Å
222R58.5Low55.7Low191 Ų191114.5 Ų114.572%0.72161%0.606SS**Hα-helixtrans-76.5-22.8176.6-139.1178.5-137.499-2.1113.8E218 E219 L220E218-R222 PolarHBondContact O-N 3.28Å; E218-R222 IonicContact OE1-CZ 2.74Å; E218-R222 IonicContact OE1-NH1 3.89Å; E218-R222 PolarHBondContact OE1-NH1 2.86Å; E218-R222 IonicContact OE1-NH2 2.59Å; E219-R222 PolarHBondContact O-N 3.05Å; L220-R222 PolarHBondContact O-N 2.81Å
223S58.4Low54.1Low86 Ų86118.1 Ų118.160%0.60164%0.636SS**Hα-helixtrans-91.7-9.8178.859.30000113.7E219 L220 P225E219-S223 PolarHBondContact O-N 3.37Å; E219-S223 PolarHBondContact O-OG 3.24Å; L220-S223 PolarHBondContact O-N 2.9Å; L220-S223 VanDerWaalsContact O-N 3.15Å; L220-S223 PolarHBondContact O-OG 2.82Å; S223-P225 WeakPolarHBondContact O-CD 3.26Å
224I51.3Low52.9Low99 Ų99121 Ų12151%0.50864%0.643SS.*SBendtrans-83.6115.5168.9-61.5164.9000107.8L220 L226L220-I224 WeakPolarHBondContact O-CG1 3.34Å; L220-I224 PolarHBondContact O-N 2.95Å; I224-L226 PolarHBondContact O-N 3.05Å
225P45.7Very low51.6Low120 Ų120123.5 Ų123.578%0.77966%0.657SS**  trans-69.497.5175.528.4-31.3000108.8S223S223-P225 WeakPolarHBondContact O-CD 3.26Å
226L46.7Very low49.5Very low144 Ų144127.5 Ų127.575%0.75468%0.678SS**  trans-67.6128.5168-71.2170.2000108.7I224I224-L226 PolarHBondContact O-N 3.05Å
227P39.6Very low48.2Very low103 Ų103128 Ų12867%0.66969%0.692SS**  trans-55.9145.2167.8-20.931.4000110.7L229P227-L229 PolarHBondContact O-N 3.01Å
228P50.4Low46.8Very low125 Ų125132.9 Ų132.981%0.81271%0.713SS**  trans-82.180.2-174.434.1-33.3000110.7
229L41.1Very low45Very low151 Ų151136 Ų13679%0.79173%0.727SS**  trans-154.3118.8172.3-68.9177.9000106.6P227P227-L229 PolarHBondContact O-N 3.01Å
230I45.1Very low43.3Very low145 Ų145137.4 Ų137.474%0.74474%0.738SS**  cis-154.3126.821.5-82.1144.1000107.3N232I230-N232 PolarHBondContact O-N 3.46Å
231L48.6Very low41.9Very low177 Ų177139.3 Ų139.393%0.92775%0.746SS**  trans-74.791.9160-87.4156.2000108.5
232N42.6Very low40.7Very low142 Ų142143.7 Ų143.776%0.75976%0.762SS**  trans173.880.8146.2-105.1-7.3000110.8I230I230-N232 PolarHBondContact O-N 3.46Å
233C36.1Very low40.1Very low137 Ų137139.5 Ų139.593%0.92676%0.759SS**  trans-10184.6149.2-80.80000107S235C233-S235 PolarHBondContact O-N 3.4Å
234R39.1Very low38.6Very low195 Ų195143.2 Ų143.274%0.73677%0.768SS**  trans-68.6121.8161-166.8177.6-161170.53.8106.1F236R234-F236 HydrophobicContact CB-CE2 4.42Å; R234-F236 WeakPolarHBondContact O-CD2 3.31Å; R234-F236 PolarHBondContact O-N 3.35Å
235S35Very low37.6Very low105 Ų105145.3 Ų145.373%0.73478%0.78SS**  trans-57.8100.3165.551.70000108.1C233 S237C233-S235 PolarHBondContact O-N 3.4Å; S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.79Å
236F27.4Very low36.9Very low186 Ų186146.8 Ų146.882%0.81678%0.781SS**  trans-75.688.9164.7-76.9-81.7000107.4R234R234-F236 HydrophobicContact CB-CE2 4.42Å; R234-F236 WeakPolarHBondContact O-CD2 3.31Å; R234-F236 PolarHBondContact O-N 3.35Å
237S32.9Very low36.7Very low103 Ų103145.3 Ų145.372%0.7278%0.78SS**  trans-72.1130.714448.30000107.5S235S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.79Å
238E35.3Very low36.1Very low192 Ų192143.9 Ų143.990%0.89778%0.784SS**  trans-50.9144.1176.4-61.5168.1140.700112.5
239E31.4Very low35Very low177 Ų177147.8 Ų147.883%0.82779%0.788SS**  179.5117.1126.5-172.6157.6-163.400112.7
240N28.4Very low34.5Very low138 Ų138149.6 Ų149.674%0.73880%0.795SS**  trans47.8125146.8-77.8-3.1000125.7
241M29.2Very low33.7Very low157 Ų157146.7 Ų146.777%0.77379%0.792SS**  86.498.6121.6-159.669.489.700121.7
242N31.7Very low32.6Very low145 Ų145144.4 Ų144.478%0.77579%0.786SS**  trans78.2162.3136.5-11423.5000121.6
243P45.8Very low32Very low102 Ų102142.7 Ų142.766%0.66279%0.785SS**  -119.1-177.6-122.627.8-3.1000113
244E28.3Very low31.7Very low165 Ų165140.9 Ų140.977%0.77178%0.78SS**  trans120.2127.1147-163170.3156.200118.1
245N28.4Very low31.3Very low143 Ų143137.6 Ų137.677%0.76579%0.787SS**  trans86.9140.7154.6-71-23.7000124.2
246D31.9Very low31Very low150 Ų150143.4 Ų143.480%0.80279%0.793SS**  trans-74.9-171.1-165.2-149.716.7000114.6
247P43.6Very low31.3Very low113 Ų113141 Ų14173%0.73479%0.789SS**  -121.4163.5-114.339.2-19.4000114.4
248G26.2Very low31.3Very low73 Ų73147.2 Ų147.275%0.75380%0.796SS**  trans168.6119.2165.400000118.9
249K27.9Very low31.2Very low208 Ų208146.4 Ų146.490%0.90479%0.792SS**  trans73.6103.5144.2-59.3-173.4179.6-177.50121
250M29.7Very low31.1Very low188 Ų188142.8 Ų142.893%0.92679%0.793SS**  34.4139.8119-155147.7-174.700123.3
251A28Very low31.3Very low84 Ų84144.2 Ų144.269%0.69480%0.799SS**  trans85.6141.5161.700000115.3
252T25.5Very low31.7Very low130 Ų130139.7 Ų139.780%0.79879%0.793SS**  cis-165.5159.519.5-16.30000109.7
253S30.5Very low32.4Very low105 Ų105138.7 Ų138.773%0.73480%0.795SS**  trans-22.4144.7165.656.10000120.3
254A28.7Very low32Very low100 Ų100140 Ų14083%0.82680%0.803SS**  173.7129.5110.900000112.4
255S32.3Very low32.3Very low125 Ų125137.8 Ų137.887%0.87481%0.805SS**  trans-67.4129.7173.1176.60000111.6
256R27.9Very low32.8Very low228 Ų228137.1 Ų137.186%0.8681%0.808SS**  trans-143.7108.2160.2-172.4172.9-93.4173-6.9110.4
257N33.8Very low32.9Very low136 Ų136136.8 Ų136.873%0.72781%0.806SS**  trans-60.3127.1175.1-151.813.1000110.9
258R32.1Very low32.9Very low233 Ų233140 Ų14088%0.87981%0.812SS**  trans-138.2110.5160.8-83.8-166.7174.5174.7-1.2109.3
259Q33.4Very low33.6Very low174 Ų174142.3 Ų142.381%0.81381%0.806SS**  trans-66.4143.8166.3-71164.4-18.100109.8
260A29.1Very low34.2Very low101 Ų101140.9 Ų140.984%0.83580%0.802SS**  trans-113.812416700000109.1
261L34.2Very low34.8Very low168 Ų168139.5 Ų139.588%0.8879%0.793SS**PPolyproline II helixtrans-65138.6-178.2-80.267.9000112.1
262G36.3Very low35.3Very low63 Ų63142.9 Ų142.965%0.64980%0.795SS**PPolyproline II helixtrans-95164.3156.300000111.5
263P46.4Very low35.9Very low123 Ų123144.5 Ų144.580%0.79979%0.791SS**PPolyproline II helixtrans-71.6158.9-169.231.3-35.5000113.4
264P38.2Very low36.2Very low130 Ų130146.9 Ų146.984%0.84479%0.792SS**PPolyproline II helixtrans-76.9137.3-170.531.2-33.7000112.8
265C34.1Very low36.8Very low119 Ų119146.2 Ų146.280%0.80478%0.781SS**PPolyproline II helixtrans-70.7149.5168.3-69.80000111.4
266P39.6Very low37.3Very low128 Ų128147.6 Ų147.683%0.83177%0.773SS**SBendtrans-69.9133.2165.2-5.722.1000111.1
267D34.3Very low38.1Very low144 Ų144140 Ų14077%0.7776%0.759SS**  trans-0.3115.2171.6-62.1-36.5000120.4I269D267-I269 VanDerWaalsContact C-N 3.31Å; D267-I269 PolarHBondContact O-N 2.99Å
268Q42Very low38.5Very low180 Ų180141 Ų14184%0.84176%0.762SS**THydrogen-bonded Turntrans-6877.2161.3-68174.9-13.800110.8
269I41.1Very low39Very low122 Ų122137 Ų13763%0.62676%0.757SS**THydrogen-bonded Turntrans-132.3-15.2165.9-58.9-177.2000112.5D267D267-I269 VanDerWaalsContact C-N 3.31Å; D267-I269 PolarHBondContact O-N 2.99Å
270E40.3Very low39.2Very low177 Ų177133.7 Ų133.783%0.82775%0.753SS**SBendtrans-95.5-19.9179.2-65-155.2153.100115.2
271E42.8Very low39.8Very low159 Ų159134.1 Ų134.174%0.74375%0.75SS**Hα-helixtrans-77.7-27.7-177.7-143.4171.2-170.700112.5
272E38.1Very low40.1Very low155 Ų155129.5 Ų129.572%0.72474%0.743SS**Hα-helixtrans-78.8-26.2-177.5-159.9167.4-166.300113.1M274E272-M274 PolarHBondContact O-N 3.47Å
273K39.1Very low40.3Very low165 Ų165137.5 Ų137.572%0.71775%0.753SS**Hα-helixtrans-73.8-22.9177-80.3-175.2177.8176.30114
274M37Very low39.6Very low154 Ų154140.9 Ų140.976%0.75976%0.758SS**Hα-helixtrans-83.1-28.5-179.7-159.2177.5-160.100112.3E272E272-M274 PolarHBondContact O-N 3.47Å
275C41.2Very low39.4Very low87 Ų87145.4 Ų145.459%0.58876%0.759SS**Hα-helixtrans-75.9-35.2176.7-70.90000112.9M278C275-M278 PolarHBondContact O-N 3.43Å
276E43.1Very low39.2Very low153 Ų153145.5 Ų145.572%0.71575%0.751SS**Hα-helixtrans-75.4-26.8-176.2-135.6-178.6-178.300113.5M278E276-M278 VanDerWaalsContact C-N 3.31Å; E276-M278 PolarHBondContact O-N 3.49Å
277A43.9Very low38.6Very low69 Ų69146.3 Ų146.357%0.5775%0.748SS**Hα-helixtrans-71.6-22.8176.900000113.6
278M41.4Very low38.4Very low158 Ų158142.5 Ų142.578%0.77874%0.743SS**Hα-helixtrans-90.4-15.6-176.3-70.3-90.3-86.500113.3C275 E276C275-M278 PolarHBondContact O-N 3.43Å; E276-M278 VanDerWaalsContact C-N 3.31Å; E276-M278 PolarHBondContact O-N 3.49Å
279L42.9Very low37.8Very low149 Ų149141.1 Ų141.178%0.7875%0.747SS**Hα-helixtrans-93.8-10.8-176.3-71172.1000114.5
280S39.3Very low37.2Very low104 Ų104138.3 Ų138.373%0.72775%0.748SS**SBendtrans-91.8-12.7179.459.60000114.8
281S40.8Very low36.9Very low110 Ų110139.6 Ų139.677%0.76975%0.754SS**SBendtrans-91.2-8.4-178.3-160.80000114R283S281-R283 PolarHBondContact O-N 3.38Å
282G40.3Very low36.4Very low71 Ų71139.3 Ų139.373%0.73276%0.758SS**  trans-95.843.4-172.400000116
283R39.9Very low36.1Very low230 Ų230140 Ų14087%0.86877%0.766SS**  trans-155.377.9168.5-148.1177.9-162.8-178.64.7113.6S281S281-R283 PolarHBondContact O-N 3.38Å
284Q31.7Very low35.5Very low194 Ų194138.9 Ų138.991%0.90777%0.767SS**  trans-149.1118.1146.6-151.680.813.200109.2
285R34.2Very low35.2Very low226 Ų226138.3 Ų138.385%0.85377%0.773SS**  trans-95.4162.3172.9-157-175.5-151.1145.34108.3
286N30.9Very low34.7Very low121 Ų121138.7 Ų138.765%0.64778%0.776SS**  trans91.4136.7171.7-71.735.1000114.7
287D27.6Very low34.1Very low145 Ų145139.3 Ų139.378%0.77578%0.784SS**  cis-161.9154.34.4-97.9-33.2000108
288G28.9Very low33.4Very low63 Ų63144.7 Ų144.765%0.64980%0.796SS**  trans108.8109.3148.800000119.1
289T29.3Very low32.9Very low151 Ų151146.7 Ų146.793%0.92680%0.801SS**  trans54.1117.5131.7-28.50000117.5
290G29.1Very low32.3Very low64 Ų64145.8 Ų145.866%0.6680%0.801SS**  cis126.8118.231.400000106.6
291E33.8Very low31.8Very low203 Ų203149.1 Ų149.195%0.94980%0.802SS**  trans-179.5118.8149.9-101.4175.3176.300110.4
292D32.3Very low31.5Very low154 Ų154149.6 Ų149.682%0.82480%0.8SS**  trans-72.7156.6175.4-68.5-52.5000112
293L31.7Very low31.1Very low170 Ų170152.6 Ų152.689%0.8980%0.8SS**  trans-168.690.7136.6-100.6146.2000113.2
294N26.9Very low30.9Very low140 Ų140148.9 Ų148.975%0.74980%0.796SS**  trans21.4123.6130.7-159.913.4000120.1
295V30.1Very low31Very low143 Ų143148.5 Ų148.587%0.86779%0.791SS**  trans-104.7113.9163.6177.50000109
296S31.6Very low31.1Very low95 Ų95144.8 Ų144.866%0.66479%0.788SS**PPolyproline II helixtrans-90.5138.8-179.2-174.10000112.6
297L30.2Very low31.4Very low166 Ų166146.7 Ų146.787%0.86980%0.798SS**PPolyproline II helixtrans-79.9126.6178.5-158.284.4000110.1
298H29.1Very low31.8Very low181 Ų181148.5 Ų148.584%0.83880%0.802SS**PPolyproline II helixtrans-102.4119.1172.4-11240.7000112.2
299K29.9Very low32.3Very low200 Ų200151.2 Ų151.287%0.8781%0.811SS**  trans-94.4113.9172.8-167.5177.1-173.3176.30107.2
300V30.9Very low32.8Very low131 Ų131149.1 Ų149.179%0.79480%0.802SS**PPolyproline II helixtrans-78.2123.2176.1174.50000109
301K28.8Very low33.3Very low173 Ų173154.4 Ų154.475%0.75284%0.84SS**PPolyproline II helixtrans-100.3129.9169-173.4-177178.3-163.70107.5
302V33.7Very low33.3Very low120 Ų120152 Ų15273%0.72784%0.835SS**PPolyproline II helixtrans-90.5122.4173.9174.90000107.8
303D32.7Very low33.4Very low135 Ų135151.9 Ų151.972%0.72284%0.835SS**PPolyproline II helixtrans-92.1128.7168.6-75.6-36.6000109.2
304I35.4Very low33.5Very low151 Ų151150.9 Ų150.977%0.77483%0.832SS**PPolyproline II helixtrans-96.9128.4167.2-63.7178.5000106.5
305K34Very low33.8Very low187 Ų187151.5 Ų151.581%0.81384%0.837SS**PPolyproline II helixtrans-102120.6179.4-149178-174.7-176.80107.8
306D36.1Very low34.1Very low148 Ų148152.1 Ų152.179%0.79184%0.835SS**PPolyproline II helixtrans-75.5123.8173.2-59.8-50.8000109.3
307D36.7Very low34.2Very low160 Ų160155.9 Ų155.986%0.85685%0.847SS**  trans-108.1110.1165.7-86.6-31.3000108.6
308E37.7Very low34.5Very low184 Ų184155.1 Ų155.186%0.8685%0.845SS**  trans-98.4123164.8-171.4175.1132.800108
309S38.3Very low34.9Very low120 Ų120153.2 Ų153.284%0.83985%0.846SS**  trans-143.5112.7162.8-172.60000109.7
310S39.8Very low35.4Very low106 Ų106149.3 Ų149.374%0.74184%0.844SS**  trans-76.4130.2166.4-66.10000110.4
311A40.3Very low35.8Very low176 Ų176150.9 Ų150.9100%1.45585%0.848SS**  trans-168.30141.500000109.4

Retrieved 311 of 311 residues in 132.8 ms (Link to these results)