A0A3B3UCZ2_9TELE Loading...

Integral membrane protein 2

AlphaFold DB , UniProt , Accession A0A3B3UCZ2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 245 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
1M42.5Very low38Very low244 Ų244153.3 Ų153.3100%1.20288%0.877SS**  096.60-151.1178.6-160.800106.8
2V37.7Very low37.6Very low153 Ų153156.3 Ų156.393%0.92788%0.878SS**  trans-132.3128.9176.3-1780000106.7
3K39.9Very low37.2Very low184 Ų184160.4 Ų160.480%0.888%0.88SS**  trans-119.4161.7-167.3-147.8179.7-168.8-177.90106.3
4I38.3Very low36.8Very low163 Ų163155.3 Ų155.384%0.83687%0.87SS**  trans90.4134.1160.7-50.4149.1000113
5A35.5Very low36.2Very low89 Ų89156.7 Ų156.774%0.73687%0.874SS**  cis-162.2161.6-4.400000110
6F45Very low35.6Very low194 Ų194151.1 Ų151.185%0.85186%0.862SS**  trans-64.7149.9160.8-89.1-102.2000111.8
7N36.3Very low35.2Very low169 Ų169153.2 Ų153.290%0.90486%0.859SS**  trans-153.7121144.4-97.4-22.9000111.4
8S37.4Very low34.7Very low117 Ų117153.4 Ų153.482%0.81885%0.852SS**  trans-66.9141164.9-63.40000110.7
9A37.7Very low34.6Very low107 Ų107152.7 Ų152.788%0.88485%0.852SS**  trans-128.8100.5163.200000109.1
10L34.5Very low35Very low168 Ų168150.9 Ų150.988%0.8885%0.847SS**  trans-104114.5163.2-134.2173.3000105
11A33.5Very low34.7Very low98 Ų98148 Ų14881%0.8184%0.842SS**  trans-143.3126.6168.700000109.2
12Q33.1Very low34.1Very low189 Ų189140.8 Ų140.888%0.88382%0.821SS**  trans-74.5154.2-161.7-62.1161.8-73.900113.6
13K31.7Very low33.9Very low210 Ų210139.7 Ų139.791%0.91382%0.815SS**  trans-137.3117.1143.1-152.1172.4-177.4-179.70110
14A31.8Very low33.8Very low89 Ų89140.3 Ų140.374%0.73682%0.818SS**  trans-58.6136.4176.800000111.6
15L27.7Very low33.6Very low177 Ų177139.7 Ų139.793%0.92782%0.816SS**  101.412382.7-174.279.9000112.4
16G27.3Very low34.1Very low67 Ų67140.9 Ų140.969%0.69182%0.816SS**  trans158.686.5165.400000110
17K27.9Very low33.6Very low186 Ų186140.4 Ų140.481%0.80982%0.817SS**  52.2123.8100.1-110.7-159.5170.9-149.40112.1
18E26.8Very low33.8Very low157 Ų157140.3 Ų140.373%0.73482%0.815SS**  cis-157.7164.123.6-74.3-178.8162.800109.9
19V33.2Very low33.7Very low140 Ų140139.1 Ų139.185%0.84881%0.813SS**  trans-112144166.1176.40000104.4
20P42.6Very low34.2Very low117 Ų117139 Ų13976%0.7681%0.805SS**  -153.5175.555.637.7-14.3000118.8
21A28.6Very low34.4Very low90 Ų90137.8 Ų137.874%0.74480%0.799SS**  trans119.2119.4135.800000117.8
22A29.8Very low34.9Very low92 Ų92138 Ų13876%0.7680%0.795SS**  trans58118137.400000119.3
23V32.7Very low35.8Very low130 Ų130132.4 Ų132.479%0.78878%0.781SS**  179.5126.995.1158.90000107.5
24K38.1Very low36.7Very low198 Ų198128 Ų12886%0.86177%0.774SS**  trans-67136.8164.9-96.4173.8167.61760108
25D34.3Very low37.9Very low149 Ų149128.9 Ų128.980%0.79777%0.77SS**  trans-160.2152.9139.4-90.2-29.7000111.1
26P45.4Very low39.5Very low115 Ų115125.4 Ų125.475%0.74775%0.753SS**  trans-124.377.2-139.937-18.7000111.5
27E36.3Very low41.3Very low183 Ų183124.7 Ų124.786%0.85575%0.745SS**  trans-150.886.8174.1-80.9-159.6122.800110.1
28L40.1Very low43.4Very low168 Ų168123.1 Ų123.188%0.8874%0.739SS**  trans-178.851.6156-99.5144.1000109.4S30L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 2.72Å
29A35.4Very low45.8Very low92 Ų92117.2 Ų117.276%0.7672%0.72SS**  trans-88.678.7157.600000107.5D31A29-D31 PolarHBondContact O-N 2.92Å; A29-D31 VanDerWaalsContact O-N 3.1Å
30S48.5Very low48.1Very low104 Ų104117.5 Ų117.573%0.72771%0.706SS**  trans-70.586.8152.366.30000107.1L28L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 2.72Å
31D37.2Very low50.1Low142 Ų142116.4 Ų116.476%0.75969%0.693SS**  trans-11399.7170.3-99.8-19.5000109.9A29A29-D31 PolarHBondContact O-N 2.92Å; A29-D31 VanDerWaalsContact O-N 3.1Å
32S44.8Very low52.8Low104 Ų104116.4 Ų116.473%0.72768%0.68SS**  trans38.8114145.562.50000119.3
33A52.2Low55.5Low71 Ų71118 Ų11859%0.58768%0.675SS**  trans-47.1144.3160.400000114.4T35A33-T35 VanDerWaalsContact C-N 3.29Å; A33-T35 HydrophobicContact CB-CG2 4Å; A33-T35 VanDerWaalsContact CB-OG1 3.31Å; A33-T35 WeakPolarHBondContact CB-OG1 3.24Å; A33-T35 PolarHBondContact O-N 3.15Å
34P49.9Very low58.3Low117 Ų117119.8 Ų119.876%0.7667%0.668SS**  trans-95.249.7159.438.3-29.8000109.8D36P34-D36 VanDerWaalsContact C-N 3.33Å
35T57.3Low60.8Low107 Ų107115.3 Ų115.366%0.65665%0.653SS**Hα-helixtrans-86.8-0.3-179.542.90000113.8A33A33-T35 VanDerWaalsContact C-N 3.29Å; A33-T35 HydrophobicContact CB-CG2 4Å; A33-T35 VanDerWaalsContact CB-OG1 3.31Å; A33-T35 WeakPolarHBondContact CB-OG1 3.24Å; A33-T35 PolarHBondContact O-N 3.15Å
36D60.7Low63.6Low104 Ų104113.3 Ų113.356%0.55664%0.642SS**Hα-helixtrans-89.8-26-173.2-130.134.7000113.3P34 R40P34-D36 VanDerWaalsContact C-N 3.33Å; D36-R40 VanDerWaalsContact O-CD 3.22Å; D36-R40 WeakPolarHBondContact O-CD 3.49Å; D36-R40 WeakPolarHBondContact O-CG 3.31Å; D36-R40 PolarHBondContact O-NE 3.05Å; D36-R40 IonicContact OD2-CZ 3.86Å; D36-R40 IonicContact OD2-NE 3.77Å; D36-R40 IonicContact OD2-NH2 2.93Å; D36-R40 PolarHBondContact OD2-NH2 2.85Å
37G64.8Low65.9Low52 Ų52109.5 Ų109.554%0.53662%0.623SS.*Hα-helixtrans-82.5-41.317900000113.8L41G37-L41 WeakPolarHBondContact O-CB 3.3Å; G37-L41 PolarHBondContact O-N 3.35Å
38F71.9Confident68.7Low154 Ų154105.3 Ų105.368%0.67561%0.606SS**Hα-helixtrans-68.8-41.8-179.1-91.4-87.9000112.5R40 L41 I42F38-R40 PolarHBondContact O-N 2.72Å; F38-L41 PolarHBondContact O-N 2.83Å; F38-I42 WeakPolarHBondContact O-CD1 3.41Å; F38-I42 WeakPolarHBondContact O-CG1 3.39Å; F38-I42 PolarHBondContact O-N 2.76Å
39G78Confident71.2Confident33 Ų33100.3 Ų100.334%0.3459%0.585SS.*Hα-helixtrans-63.2-41.5176.400000112.5I42 L43G39-I42 PolarHBondContact O-N 3.47Å; G39-L43 VanDerWaalsContact O-CG 3.31Å; G39-L43 WeakPolarHBondContact O-CG 2.94Å; G39-L43 PolarHBondContact O-N 2.86Å
40R81.6Confident74.1Confident146 Ų146103.8 Ų103.855%0.55158%0.584SS**Hα-helixtrans-64.6-44175.3-68.9175.8-165.3-157.97.1111.6D36 F38 I42 L43 Y44D36-R40 VanDerWaalsContact O-CD 3.22Å; D36-R40 WeakPolarHBondContact O-CD 3.49Å; D36-R40 WeakPolarHBondContact O-CG 3.31Å; D36-R40 PolarHBondContact O-NE 3.05Å; D36-R40 IonicContact OD2-CZ 3.86Å; D36-R40 IonicContact OD2-NE 3.77Å; D36-R40 IonicContact OD2-NH2 2.93Å; D36-R40 PolarHBondContact OD2-NH2 2.85Å; F38-R40 PolarHBondContact O-N 2.72Å; R40-I42 PolarHBondContact O-N 3Å; R40-L43 PolarHBondContact O-N 3.26Å; R40-Y44 HydrophobicContact CB-CE2 4.28Å; R40-Y44 WeakPolarHBondContact O-CD2 3.33Å; R40-Y44 PolarHBondContact O-N 3.13Å
41L84.4Confident76.3Confident94 Ų94104 Ų10449%0.49258%0.576SS.*Hα-helixtrans-60.4-43.7175.9-177.264000111.9G37 F38 Y44 L45G37-L41 WeakPolarHBondContact O-CB 3.3Å; G37-L41 PolarHBondContact O-N 3.35Å; F38-L41 PolarHBondContact O-N 2.83Å; L41-Y44 PolarHBondContact O-N 2.84Å; L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 2.95Å
42I86Confident79.1Confident90 Ų90101.8 Ų101.846%0.46256%0.563SS.*Hα-helixtrans-63-43177.2-68.5164.3000110.9F38 G39 R40 Y44 L45 L46F38-I42 WeakPolarHBondContact O-CD1 3.41Å; F38-I42 WeakPolarHBondContact O-CG1 3.39Å; F38-I42 PolarHBondContact O-N 2.76Å; G39-I42 PolarHBondContact O-N 3.47Å; R40-I42 PolarHBondContact O-N 3Å; I42-Y44 VanDerWaalsContact C-N 3.35Å; I42-Y44 PolarHBondContact O-N 3.13Å; I42-L45 PolarHBondContact O-N 3.21Å; I42-L46 HydrophobicContact CG2-CD1 3.91Å; I42-L46 HydrophobicContact CG2-CG 4.32Å; I42-L46 WeakPolarHBondContact O-CB 3.43Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 3.16Å
43L86.6Confident81.6Confident124 Ų124100.4 Ų100.465%0.64955%0.55SS**Hα-helixtrans-62.4-40.6176.4-73.3166.6000112.2G39 R40 L46 G47G39-L43 VanDerWaalsContact O-CG 3.31Å; G39-L43 WeakPolarHBondContact O-CG 2.94Å; G39-L43 PolarHBondContact O-N 2.86Å; R40-L43 PolarHBondContact O-N 3.26Å; L43-L46 PolarHBondContact O-N 2.84Å; L43-G47 PolarHBondContact O-N 2.94Å
44Y91.6Very high83.6Confident168 Ų16899.1 Ų99.166%0.65954%0.544SS*.Hα-helixtrans-64.7-42.8174.2-72.1-59.4000112.2R40 L41 I42 G47 I48R40-Y44 HydrophobicContact CB-CE2 4.28Å; R40-Y44 WeakPolarHBondContact O-CD2 3.33Å; R40-Y44 PolarHBondContact O-N 3.13Å; L41-Y44 PolarHBondContact O-N 2.84Å; I42-Y44 VanDerWaalsContact C-N 3.35Å; I42-Y44 PolarHBondContact O-N 3.13Å; Y44-G47 PolarHBondContact O-N 3.19Å; Y44-I48 WeakPolarHBondContact O-CB 3.25Å; Y44-I48 VanDerWaalsContact O-CG1 3.24Å; Y44-I48 WeakPolarHBondContact O-CG1 3.44Å; Y44-I48 PolarHBondContact O-N 3.44Å
45L90.4Very high85.9Confident104 Ų10499.1 Ų99.155%0.54554%0.537SS..Hα-helixtrans-64.3-41177.7-70.7171.9000112.1L41 I42 S49L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 2.95Å; I42-L45 PolarHBondContact O-N 3.21Å; L45-S49 VanDerWaalsContact O-CB 3.31Å; L45-S49 WeakPolarHBondContact O-CB 3.43Å; L45-S49 PolarHBondContact O-N 3.35Å
46L92.6Very high87.7Confident108 Ų10899.9 Ų99.957%0.56554%0.535SS*.Hα-helixtrans-66.7-41.6175.6-70.7173.7000111.9I42 L43 S49 F50I42-L46 HydrophobicContact CG2-CD1 3.91Å; I42-L46 HydrophobicContact CG2-CG 4.32Å; I42-L46 WeakPolarHBondContact O-CB 3.43Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 3.16Å; L43-L46 PolarHBondContact O-N 2.84Å; L46-S49 PolarHBondContact O-N 3.21Å; L46-F50 PolarHBondContact O-N 2.97Å
47G93.1Very high89.4Confident34 Ų3498.9 Ų98.935%0.35153%0.533SS..Hα-helixtrans-62.1-46.2175.400000112.3L43 Y44 F50 I51L43-G47 PolarHBondContact O-N 2.94Å; Y44-G47 PolarHBondContact O-N 3.19Å; G47-F50 PolarHBondContact O-N 3.38Å; G47-I51 VanDerWaalsContact O-CG1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.49Å; G47-I51 PolarHBondContact O-N 2.79Å
48I94.9Very high90.8Very high96 Ų9697.9 Ų97.949%0.49252%0.522SS..Hα-helixtrans-63.1-42.8176.2-68.8166.1000110.7Y44 F50 I51 L52Y44-I48 WeakPolarHBondContact O-CB 3.25Å; Y44-I48 VanDerWaalsContact O-CG1 3.24Å; Y44-I48 WeakPolarHBondContact O-CG1 3.44Å; Y44-I48 PolarHBondContact O-N 3.44Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F50 PolarHBondContact O-N 3.3Å; I48-I51 PolarHBondContact O-N 3.2Å; I48-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 HydrophobicContact CG2-CG 4.23Å; I48-L52 WeakPolarHBondContact O-CB 3.39Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 2.88Å
49S94.3Very high91.8Very high63 Ų6392.2 Ų92.244%0.44151%0.507SS..Hα-helixtrans-57-47.3175.3167.20000111.6L45 L46 I51 L52 T53L45-S49 VanDerWaalsContact O-CB 3.31Å; L45-S49 WeakPolarHBondContact O-CB 3.43Å; L45-S49 PolarHBondContact O-N 3.35Å; L46-S49 PolarHBondContact O-N 3.21Å; S49-I51 PolarHBondContact O-N 3.13Å; S49-L52 PolarHBondContact O-N 3Å; S49-T53 PolarHBondContact O-N 2.87Å; S49-T53 PolarHBondContact O-OG1 3.39Å
50F95.8Very high92.5Very high165 Ų16593.3 Ų93.372%0.72451%0.513SS*.Hα-helixtrans-64.9-40.5-179.2-167-99.1000112.2L46 G47 I48 T53 G54L46-F50 PolarHBondContact O-N 2.97Å; G47-F50 PolarHBondContact O-N 3.38Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F50 PolarHBondContact O-N 3.3Å; F50-T53 PolarHBondContact O-N 2.72Å; F50-G54 PolarHBondContact O-N 3.35Å
51I95.4Very high92.9Very high109 Ų10990.2 Ų90.256%0.55951%0.513SS*.Hα-helixtrans-63.9-44.8175.5-65.8165.6000110.7G47 I48 S49 G54 L55G47-I51 VanDerWaalsContact O-CG1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.49Å; G47-I51 PolarHBondContact O-N 2.79Å; I48-I51 PolarHBondContact O-N 3.2Å; S49-I51 PolarHBondContact O-N 3.13Å; I51-G54 PolarHBondContact O-N 2.81Å; I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CB 3.37Å; I51-L55 WeakPolarHBondContact O-CG 3.48Å; I51-L55 PolarHBondContact O-N 2.92Å
52L95.4Very high93.2Very high94 Ų9490.5 Ų90.549%0.49252%0.515SS..Hα-helixtrans-62.4-44.3177.7-75.1169.1000111.5I48 S49 G54 L55 I56I48-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 HydrophobicContact CG2-CG 4.23Å; I48-L52 WeakPolarHBondContact O-CB 3.39Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 2.88Å; S49-L52 PolarHBondContact O-N 3Å; L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 2.86Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 3.24Å
53T96.1Very high93.2Very high76 Ų7694.3 Ų94.347%0.46652%0.524SS..Hα-helixtrans-62.8-43.2175.5-51.60000111.1S49 F50 L55 I56 V57S49-T53 PolarHBondContact O-N 2.87Å; S49-T53 PolarHBondContact O-OG1 3.39Å; F50-T53 PolarHBondContact O-N 2.72Å; T53-L55 VanDerWaalsContact C-N 3.34Å; T53-L55 PolarHBondContact O-N 3.5Å; T53-I56 PolarHBondContact O-N 2.94Å; T53-V57 HydrophobicContact CG2-CG2 4.29Å; T53-V57 WeakPolarHBondContact O-CB 3.3Å; T53-V57 WeakPolarHBondContact O-CG2 3.41Å; T53-V57 PolarHBondContact O-N 3.26Å
54G95.8Very high93.1Very high43 Ų4398.3 Ų98.344%0.44353%0.531SS..Hα-helixtrans-60.1-41.317500000112.9F50 I51 L52 G58F50-G54 PolarHBondContact O-N 3.35Å; I51-G54 PolarHBondContact O-N 2.81Å; L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 2.86Å; G54-G58 WeakPolarHBondContact O-CA 3.28Å; G54-G58 PolarHBondContact O-N 2.04Å
55L96.5Very high92.6Very high117 Ų11799.1 Ų99.161%0.61353%0.534SS*.Hα-helixtrans-66.6-41.5175.9-76.8170.9000112.4I51 L52 T53 G59I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CB 3.37Å; I51-L55 WeakPolarHBondContact O-CG 3.48Å; I51-L55 PolarHBondContact O-N 2.92Å; L52-L55 PolarHBondContact O-N 2.99Å; T53-L55 VanDerWaalsContact C-N 3.34Å; T53-L55 PolarHBondContact O-N 3.5Å; L55-G59 WeakPolarHBondContact O-CA 3.4Å; L55-G59 PolarHBondContact O-N 3.38Å
56I95.8Very high92Very high123 Ų123100.9 Ų100.963%0.63154%0.538SS*.Hα-helixtrans-67.5-48.6178.8-66.6164.5000110.4L52 T53 G59 A60L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 3.24Å; T53-I56 PolarHBondContact O-N 2.94Å; I56-G59 PolarHBondContact O-N 2.84Å; I56-A60 VanDerWaalsContact O-CB 3.31Å; I56-A60 WeakPolarHBondContact O-CB 3.11Å; I56-A60 PolarHBondContact O-N 3.24Å
57V95.7Very high90.9Very high84 Ų8498.5 Ų98.551%0.50953%0.527SS..Hα-helixtrans-68.4-46.2-179.5176.20000110.8T53 G59 A60 C61T53-V57 HydrophobicContact CG2-CG2 4.29Å; T53-V57 WeakPolarHBondContact O-CB 3.3Å; T53-V57 WeakPolarHBondContact O-CG2 3.41Å; T53-V57 PolarHBondContact O-N 3.26Å; V57-G59 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 2.87Å; V57-A60 PolarHBondContact O-N 3.49Å; V57-C61 WeakPolarHBondContact O-CB 3.04Å; V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.74Å; V57-C61 VanDerWaalsContact O-SG 3.41Å
58G95Very high89.5Confident30 Ų30102.1 Ų102.131%0.30955%0.545SS..Hα-helixtrans-60.3-44175.400000111.6G54 C61 L62G54-G58 WeakPolarHBondContact O-CA 3.28Å; G54-G58 PolarHBondContact O-N 2.04Å; G58-C61 PolarHBondContact O-N 3.45Å; G58-L62 WeakPolarHBondContact O-CB 3.41Å; G58-L62 VanDerWaalsContact O-CG 3.24Å; G58-L62 WeakPolarHBondContact O-CG 3.13Å; G58-L62 PolarHBondContact O-N 2.91Å
59G94Very high88.4Confident35 Ų35104.3 Ų104.336%0.36155%0.551SS.*Hα-helixtrans-60.4-44.2173.900000112.6L55 I56 V57 L62 Y63L55-G59 WeakPolarHBondContact O-CA 3.4Å; L55-G59 PolarHBondContact O-N 3.38Å; I56-G59 PolarHBondContact O-N 2.84Å; V57-G59 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 2.87Å; G59-L62 PolarHBondContact O-N 2.98Å; G59-Y63 WeakPolarHBondContact O-CB 3.49Å; G59-Y63 PolarHBondContact O-N 3.35Å
60A91.8Very high87.8Confident56 Ų56109.1 Ų109.146%0.46356%0.559SS.*Hα-helixtrans-66.7-40.1176.900000112.6I56 V57 Y63 R64I56-A60 VanDerWaalsContact O-CB 3.31Å; I56-A60 WeakPolarHBondContact O-CB 3.11Å; I56-A60 PolarHBondContact O-N 3.24Å; V57-A60 PolarHBondContact O-N 3.49Å; A60-Y63 PolarHBondContact O-N 3.29Å; A60-R64 WeakPolarHBondContact O-CB 3.38Å; A60-R64 PolarHBondContact O-N 3.38Å
61C90.4Very high87.4Confident81 Ų81105.3 Ų105.355%0.54755%0.546SS..Hα-helixtrans-64.3-46.6175.2-76.30000111.5V57 G58 R64 Y65V57-C61 WeakPolarHBondContact O-CB 3.04Å; V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.74Å; V57-C61 VanDerWaalsContact O-SG 3.41Å; G58-C61 PolarHBondContact O-N 3.45Å; C61-R64 PolarHBondContact O-N 2.94Å; C61-Y65 VanDerWaalsContact O-CB 3.31Å; C61-Y65 WeakPolarHBondContact O-CB 3.45Å; C61-Y65 PolarHBondContact O-N 2.86Å
62L90.8Very high87.2Confident101 Ų101101.3 Ų101.353%0.52952%0.524SS..Hα-helixtrans-64.5-43.5176-70.6171.1000111G58 G59 R64 Y65 F66G58-L62 WeakPolarHBondContact O-CB 3.41Å; G58-L62 VanDerWaalsContact O-CG 3.24Å; G58-L62 WeakPolarHBondContact O-CG 3.13Å; G58-L62 PolarHBondContact O-N 2.91Å; G59-L62 PolarHBondContact O-N 2.98Å; L62-R64 PolarHBondContact O-N 3.39Å; L62-Y65 PolarHBondContact O-N 3.46Å; L62-F66 HydrophobicContact CB-CD2 4.41Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 4.02Å; L62-F66 WeakPolarHBondContact O-CB 3.08Å; L62-F66 VanDerWaalsContact O-CD2 3.28Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 2.91Å
63Y86.1Confident87Confident170 Ų170101.3 Ų101.367%0.66752%0.521SS*.Hα-helixtrans-56.8-50.1175.8-179.5-101000110.5G59 A60 Y65 F66 T67G59-Y63 WeakPolarHBondContact O-CB 3.49Å; G59-Y63 PolarHBondContact O-N 3.35Å; A60-Y63 PolarHBondContact O-N 3.29Å; Y63-Y65 VanDerWaalsContact C-N 3.31Å; Y63-Y65 PolarHBondContact O-N 3.47Å; Y63-F66 PolarHBondContact O-N 2.92Å; Y63-T67 HydrophobicContact CD1-CG2 3.86Å; Y63-T67 HydrophobicContact CD2-CG2 4.13Å; Y63-T67 HydrophobicContact CE1-CG2 3.5Å; Y63-T67 VanDerWaalsContact CE1-CG2 3.5Å; Y63-T67 HydrophobicContact CE2-CG2 3.79Å; Y63-T67 HydrophobicContact CG-CG2 4.16Å; Y63-T67 VanDerWaalsContact CZ-CG2 3.45Å; Y63-T67 WeakPolarHBondContact O-CB 3.4Å; Y63-T67 VanDerWaalsContact O-CG2 3.23Å; Y63-T67 WeakPolarHBondContact O-CG2 3.18Å; Y63-T67 PolarHBondContact O-N 3.14Å; Y63-T67 PolarHBondContact O-OG1 2.04Å; Y63-T67 VanDerWaalsContact O-OG1 3.05Å
64R82.9Confident86.6Confident207 Ų20798 Ų9878%0.78150%0.502SS*.Hα-helixtrans-64.5-34.4178.2-169.3-176.8176942.1113.1A60 C61 L62 T67A60-R64 WeakPolarHBondContact O-CB 3.38Å; A60-R64 PolarHBondContact O-N 3.38Å; C61-R64 PolarHBondContact O-N 2.94Å; L62-R64 PolarHBondContact O-N 3.39Å; R64-T67 WeakPolarHBondContact CA-OG1 3.19Å; R64-T67 PolarHBondContact O-OG1 2.77Å
65Y81.3Confident86.3Confident185 Ų18596.8 Ų96.873%0.72549%0.488SS*.Hα-helixtrans-70.9-39.2178-176.4-97.3000111.9C61 L62 Y63C61-Y65 VanDerWaalsContact O-CB 3.31Å; C61-Y65 WeakPolarHBondContact O-CB 3.45Å; C61-Y65 PolarHBondContact O-N 2.86Å; L62-Y65 PolarHBondContact O-N 3.46Å; Y63-Y65 VanDerWaalsContact C-N 3.31Å; Y63-Y65 PolarHBondContact O-N 3.47Å
66F78.6Confident85.9Confident142 Ų14291.2 Ų91.262%0.62346%0.459SS*.Hα-helixtrans-93.7-13.5-177.5-75.4-67.3000114.6L62 Y63 P68L62-F66 HydrophobicContact CB-CD2 4.41Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 4.02Å; L62-F66 WeakPolarHBondContact O-CB 3.08Å; L62-F66 VanDerWaalsContact O-CD2 3.28Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 2.91Å; Y63-F66 PolarHBondContact O-N 2.92Å; F66-P68 WeakPolarHBondContact O-CD 3.28Å
67T69.4Low85.5Confident57 Ų5788.1 Ų88.135%0.3544%0.442SS..SBendtrans-61.4108.4173.138.20000108.4Y63 R64 K69Y63-T67 HydrophobicContact CD1-CG2 3.86Å; Y63-T67 HydrophobicContact CD2-CG2 4.13Å; Y63-T67 HydrophobicContact CE1-CG2 3.5Å; Y63-T67 VanDerWaalsContact CE1-CG2 3.5Å; Y63-T67 HydrophobicContact CE2-CG2 3.79Å; Y63-T67 HydrophobicContact CG-CG2 4.16Å; Y63-T67 VanDerWaalsContact CZ-CG2 3.45Å; Y63-T67 WeakPolarHBondContact O-CB 3.4Å; Y63-T67 VanDerWaalsContact O-CG2 3.23Å; Y63-T67 WeakPolarHBondContact O-CG2 3.18Å; Y63-T67 PolarHBondContact O-N 3.14Å; Y63-T67 PolarHBondContact O-OG1 2.04Å; Y63-T67 VanDerWaalsContact O-OG1 3.05Å; R64-T67 WeakPolarHBondContact CA-OG1 3.19Å; R64-T67 PolarHBondContact O-OG1 2.77Å; T67-K69 PolarHBondContact O-N 2.82Å
68P64.7Low85.1Confident111 Ų11184.4 Ų84.472%0.72142%0.419SS*.  trans-64.1141.3-179.827.7-32.4000108.3F66 R70F66-P68 WeakPolarHBondContact O-CD 3.28Å; P68-R70 PolarHBondContact O-N 3.01Å
69K71.5Confident84.7Confident141 Ų14185.7 Ų85.761%0.61342%0.421SS*.  trans-52.6130.4163.7-72.8160.4160-104.10107.3T67 L71 E100T67-K69 PolarHBondContact O-N 2.82Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 2.92Å; K69-E100 HydrophobicContact CB-CG 4.18Å; K69-E100 WeakPolarHBondContact CE-OE1 3.26Å; K69-E100 WeakPolarHBondContact CG-OE1 3.32Å; K69-E100 IonicContact NZ-OE1 2.89Å; K69-E100 PolarHBondContact NZ-OE1 2.85Å; K69-E100 IonicContact NZ-OE2 3.04Å; K69-E100 PolarHBondContact NZ-OE2 2.9Å
70R80.2Confident84Confident165 Ų16585.4 Ų85.462%0.62341%0.411SS*.  trans-71.892.5178.8-63.9-173.1-179.6-1761108P68 Y72 I101P68-R70 PolarHBondContact O-N 3.01Å; R70-Y72 HydrophobicContact CB-CD2 4.38Å; R70-Y72 HydrophobicContact CB-CE2 3.55Å; R70-Y72 WeakPolarHBondContact O-CD2 3.42Å; R70-I101 PolarHBondContact O-N 3.06Å
71L88.7Confident83Confident84 Ų8488.6 Ų88.644%0.4443%0.425SS..EExtended strand (participates in β ladder)trans-90.5122.9174.4-17068.8000108.2K69 H73 E98K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 2.92Å; L71-H73 WeakPolarHBondContact CD2-NE2 2.96Å; L71-E98 HydrophobicContact CD1-CB 4.1Å
72Y90.4Very high81.6Confident26 Ų2688.8 Ų88.810%0.10243%0.427CS..EExtended strand (participates in β ladder)trans-109.6135.9178.1-64.9-89.7000109R70 E98 V99 I101 I159 F162R70-Y72 HydrophobicContact CB-CD2 4.38Å; R70-Y72 HydrophobicContact CB-CE2 3.55Å; R70-Y72 WeakPolarHBondContact O-CD2 3.42Å; Y72-E98 CarbonylContact O-C 3.6Å; Y72-E98 WeakPolarHBondContact O-CA 3.4Å; Y72-V99 PolarHBondContact N-O 2.84Å; Y72-V99 PolarHBondContact O-N 3.49Å; Y72-I101 HydrophobicContact CD2-CB 4.21Å; Y72-I101 HydrophobicContact CD2-CD1 3.71Å; Y72-I101 HydrophobicContact CD2-CG1 3.93Å; Y72-I101 HydrophobicContact CE2-CB 4.05Å; Y72-I101 HydrophobicContact CE2-CD1 4.05Å; Y72-I101 HydrophobicContact CE2-CG1 4.25Å; Y72-I101 HydrophobicContact CG-CD1 4.28Å; Y72-I159 HydrophobicContact CE1-CG2 4.16Å; Y72-I159 HydrophobicContact CE2-CG1 4.18Å; Y72-F162 HydrophobicContact CD1-CB 4.02Å; Y72-F162 HydrophobicContact CG-CB 4.1Å
73H90.5Very high80.1Confident93 Ų9387.5 Ų87.543%0.43142%0.423SS..EExtended strand (participates in β ladder)trans-111.3127.7174.3-59-89.8000108.3L71 E97 E98L71-H73 WeakPolarHBondContact CD2-NE2 2.96Å; H73-E97 WeakPolarHBondContact CA-O 3.45Å; H73-E98 IonicContact CE1-OE1 3.05Å; H73-E98 PolarHBondContact CE1-OE1 2.79Å; H73-E98 IonicContact CE1-OE2 3.14Å; H73-E98 VanDerWaalsContact ND1-CG 3.33Å; H73-E98 WeakPolarHBondContact ND1-CG 3.42Å; H73-E98 IonicContact ND1-OE1 3.38Å; H73-E98 PolarHBondContact ND1-OE1 2.86Å; H73-E98 VanDerWaalsContact ND1-OE1 3.14Å
74G88.8Confident78.4Confident7 Ų783 Ų837%0.07243%0.429CS..EExtended strand (participates in β ladder)trans-131.5152.3-179.500000111E96 E97G74-E96 WeakPolarHBondContact O-CA 3.1Å; G74-E97 PolarHBondContact N-O 3.34Å; G74-E97 PolarHBondContact O-N 2.78Å
75A89.3Confident76.8Confident18 Ų1876.6 Ų76.615%0.14942%0.415CS..EExtended strand (participates in β ladder)trans-140132.3170.100000111.7R94 V95 E96A75-R94 HydrophobicContact CB-CG 4.46Å; A75-R94 VanDerWaalsContact CB-NH2 3.3Å; A75-V95 CarbonylContact C-O 3.56Å; A75-V95 VanDerWaalsContact CA-O 3.23Å; A75-V95 WeakPolarHBondContact CA-O 3.37Å; A75-E96 HydrophobicContact CB-CG 3.89Å
76M88.1Confident75.2Confident0 Ų077 Ų770%042%0.424CS..EExtended strand (participates in β ladder)trans-121.3140.3177.3-73.7-163.7174.200111.2R94 V95 L161 L165 Y170 F232 N234 V237M76-R94 CarbonylContact O-C 3.55Å; M76-R94 VanDerWaalsContact O-CA 3.29Å; M76-R94 WeakPolarHBondContact O-CA 3.41Å; M76-V95 PolarHBondContact N-O 3.49Å; M76-V95 PolarHBondContact O-N 3.04Å; M76-L161 HydrophobicContact CE-CD1 3.78Å; M76-L161 HydrophobicContact CE-CD2 4.05Å; M76-L161 HydrophobicContact CE-CG 4.25Å; M76-L165 HydrophobicContact CE-CD1 3.9Å; M76-L165 HydrophobicContact CE-CD2 3.77Å; M76-L165 HydrophobicContact CE-CG 4.3Å; M76-L165 HydrophobicContact CG-CD1 4.28Å; M76-L165 HydrophobicContact CG-CD2 3.75Å; M76-Y170 HydrophobicContact CE-CD1 3.9Å; M76-Y170 HydrophobicContact CE-CE1 4.41Å; M76-Y170 HydrophobicContact CE-CG 4.33Å; M76-Y170 HydrophobicContact SD-CD1 4.14Å; M76-F232 HydrophobicContact CB-CD1 4.21Å; M76-F232 HydrophobicContact CB-CE1 4.38Å; M76-F232 HydrophobicContact CE-CD2 4.05Å; M76-F232 HydrophobicContact CE-CG 4.5Å; M76-F232 HydrophobicContact CG-CD1 4.21Å; M76-F232 HydrophobicContact CG-CD2 4.2Å; M76-F232 HydrophobicContact CG-CE1 4.35Å; M76-F232 HydrophobicContact CG-CE2 4.36Å; M76-F232 HydrophobicContact CG-CG 4.15Å; M76-F232 HydrophobicContact CG-CZ 4.45Å; M76-F232 HydrophobicContact SD-CB 3.91Å; M76-F232 HydrophobicContact SD-CD1 4.4Å; M76-F232 HydrophobicContact SD-CD2 3.98Å; M76-F232 HydrophobicContact SD-CG 3.85Å; M76-N234 WeakPolarHBondContact CE-O 3.42Å; M76-V237 HydrophobicContact CB-CG2 4.08Å
77Q88.3Confident73.9Confident58 Ų5873.4 Ų73.427%0.27142%0.416SS..EExtended strand (participates in β ladder)trans-97.6145.3165.7-65.4176.617.900109.3L92 P93 R94 Y170 R171 S172Q77-L92 HydrophobicContact CB-CB 4.14Å; Q77-L92 HydrophobicContact CB-CD1 4.28Å; Q77-P93 CarbonylContact C-O 3.53Å; Q77-P93 VanDerWaalsContact CA-O 3.24Å; Q77-P93 WeakPolarHBondContact CA-O 3.39Å; Q77-R94 HydrophobicContact CG-CB 4.4Å; Q77-R94 HydrophobicContact CG-CG 4.43Å; Q77-Y170 PolarHBondContact N-O 3.37Å; Q77-R171 HydrophobicContact CB-CG 4.42Å; Q77-R171 CarbonylContact O-C 3.6Å; Q77-R171 WeakPolarHBondContact O-CA 3.01Å; Q77-S172 PolarHBondContact O-N 2.87Å; Q77-S172 PolarHBondContact O-OG 3.44Å
78F87Confident72.7Confident5 Ų577.8 Ų77.82%0.02243%0.433CS..EExtended strand (participates in β ladder)trans-141.5154.5-178.969.9-86.1000113.8P93 V95 S172 L174 V237F78-P93 HydrophobicContact CD1-CB 3.99Å; F78-P93 HydrophobicContact CE1-CB 3.45Å; F78-P93 VanDerWaalsContact CE1-CB 3.45Å; F78-P93 HydrophobicContact CE2-CB 4.03Å; F78-P93 HydrophobicContact CE2-CG 4.42Å; F78-P93 HydrophobicContact CZ-CB 3.49Å; F78-P93 VanDerWaalsContact CZ-CB 3.49Å; F78-P93 HydrophobicContact CZ-CG 4.29Å; F78-P93 PolarHBondContact N-O 2.72Å; F78-P93 WeakPolarHBondContact O-CD 3.35Å; F78-V95 HydrophobicContact CD1-CG2 3.96Å; F78-V95 HydrophobicContact CE1-CG2 3.54Å; F78-S172 CarbonylContact C-O 3.56Å; F78-S172 WeakPolarHBondContact CA-O 3.41Å; F78-L174 HydrophobicContact CD2-CB 3.86Å; F78-L174 HydrophobicContact CD2-CD1 4.13Å; F78-L174 HydrophobicContact CD2-CG 4.46Å; F78-L174 HydrophobicContact CE2-CB 4.16Å; F78-L174 HydrophobicContact CE2-CD1 3.89Å; F78-L174 HydrophobicContact CE2-CD2 4.2Å; F78-L174 HydrophobicContact CE2-CG 4.31Å; F78-L174 HydrophobicContact CZ-CD1 4.47Å; F78-V237 HydrophobicContact CB-CB 4.13Å; F78-V237 HydrophobicContact CB-CG2 3.85Å; F78-V237 HydrophobicContact CD1-CB 4.05Å; F78-V237 HydrophobicContact CD1-CG1 4.06Å; F78-V237 HydrophobicContact CD1-CG2 3.7Å; F78-V237 HydrophobicContact CE1-CG1 4.17Å; F78-V237 HydrophobicContact CG-CB 4.03Å; F78-V237 HydrophobicContact CG-CG1 4.36Å; F78-V237 HydrophobicContact CG-CG2 3.96Å
79T85.1Confident72.2Confident58 Ų5877.9 Ų77.936%0.35643%0.433SS..EExtended strand (participates in β ladder)trans-102.7132.6170.552.60000110.8L92 S172 L174T79-L92 HydrophobicContact CG2-CD2 3.67Å; T79-S172 PolarHBondContact N-O 2.85Å; T79-S172 PolarHBondContact OG1-O 3.19Å; T79-L174 PolarHBondContact O-N 3.48Å; T79-L174 VanDerWaalsContact O-N 3.12Å
80D80.8Confident71.4Confident28 Ų2880.3 Ų80.315%0.1544%0.44CS..  trans-98.697.9170.9-173.8-10000109.1S82 T83 L174 R176D80-S82 PolarHBondContact O-N 2.86Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.12Å; D80-T83 WeakPolarHBondContact CB-OG1 3.45Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 PolarHBondContact O-OG1 3.05Å; D80-T83 VanDerWaalsContact O-OG1 3.06Å; D80-L174 HydrophobicContact CB-CD2 4.15Å; D80-R176 IonicContact OD1-CZ 3.76Å; D80-R176 IonicContact OD1-NH2 3.36Å; D80-R176 PolarHBondContact OD1-NH2 3.28Å; D80-R176 IonicContact OD2-NH2 2.99Å; D80-R176 PolarHBondContact OD2-NH2 2.87Å
81V70Confident70.7Confident124 Ų12482 Ų8275%0.75245%0.448SS*.G310 helixtrans-67.9-20.5-178.9-174.40000111.5
82S61.5Low70Confident84 Ų8479.7 Ų79.759%0.58744%0.436SS*.G310 helixtrans-82-24.9-173.8-49.20000113.4D80 G84 R176D80-S82 PolarHBondContact O-N 2.86Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.12Å; S82-G84 VanDerWaalsContact C-N 3.25Å; S82-G84 PolarHBondContact O-N 2.84Å; S82-R176 PolarHBondContact OG-NH1 3.14Å
83T58.9Low69.6Low75 Ų7580 Ų8046%0.4644%0.441SS..G310 helixtrans-74.7-9.1-173.226.40000114.5D80 S85D80-T83 WeakPolarHBondContact CB-OG1 3.45Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 PolarHBondContact O-OG1 3.05Å; D80-T83 VanDerWaalsContact O-OG1 3.06Å; T83-S85 PolarHBondContact O-N 3.37Å
84G50.1Low69.3Low75 Ų7582.7 Ų82.777%0.77345%0.448SS*.  trans57.9-4.8178.400000115.3S82 E86S82-G84 VanDerWaalsContact C-N 3.25Å; S82-G84 PolarHBondContact O-N 2.84Å; G84-E86 PolarHBondContact O-N 2.85Å
85S48.8Very low69.3Low72 Ų7283.1 Ų83.150%0.50345%0.449SS..  trans-72.8124.5177.573.20000107.1T83 S87T83-S85 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact O-N 2.83Å
86E48.4Very low69.2Low193 Ų19386.4 Ų86.490%0.90246%0.461SS*.  trans-52.883.9154.7-64.7-178.9156.700107.7G84 Q88G84-E86 PolarHBondContact O-N 2.85Å; E86-Q88 PolarHBondContact O-N 3.42Å
87S50.5Low69.3Low67 Ų6786.7 Ų86.747%0.46946%0.462SS..  trans-61.3112174.751.10000105.2S85 P89S85-S87 PolarHBondContact O-N 2.83Å; S87-P89 VanDerWaalsContact O-N 3.12Å
88Q46Very low69.5Low150 Ų15088.1 Ų88.170%0.70147%0.469SS*.  trans-45.1125.7176.3-71.3-179.3-13.200107.9E86 Y90 Y91E86-Q88 PolarHBondContact O-N 3.42Å; Q88-Y90 PolarHBondContact O-N 3.49Å; Q88-Y91 PolarHBondContact O-N 2.91Å
89P53.5Low69.8Low112 Ų11288 Ų8873%0.72747%0.468SS*.THydrogen-bonded Turntrans-62.5-2.2-165.919.8-30.8000114.5S87S87-P89 VanDerWaalsContact O-N 3.12Å
90Y54.8Low70.2Confident193 Ų19387.3 Ų87.376%0.75746%0.461SS*.THydrogen-bonded Turntrans-95.3-14.2-172.7-61.9-75.7000114.8Q88Q88-Y90 PolarHBondContact O-N 3.49Å
91Y65.3Low70.8Confident200 Ų20086.3 Ų86.378%0.78446%0.456SS*.  trans-141.996.4178-67.7-79.5000112.8Q88Q88-Y91 PolarHBondContact O-N 2.91Å
92L74.1Confident71.8Confident35 Ų3582.6 Ų82.618%0.18344%0.435CS..  trans-76.7137.9166.8-74.6178.6000110.7Q77 T79 R94 R171Q77-L92 HydrophobicContact CB-CB 4.14Å; Q77-L92 HydrophobicContact CB-CD1 4.28Å; T79-L92 HydrophobicContact CG2-CD2 3.67Å; L92-R94 PolarHBondContact O-N 3.17Å; L92-R171 HydrophobicContact CD1-CG 4.34Å; L92-R171 VanDerWaalsContact CD1-NE 3.26Å
93P81.8Confident73.1Confident33 Ų3384.8 Ų84.821%0.21444%0.441CS..  trans-51.4136167.9-2734.8000111.7Q77 F78Q77-P93 CarbonylContact C-O 3.53Å; Q77-P93 VanDerWaalsContact CA-O 3.24Å; Q77-P93 WeakPolarHBondContact CA-O 3.39Å; F78-P93 HydrophobicContact CD1-CB 3.99Å; F78-P93 HydrophobicContact CE1-CB 3.45Å; F78-P93 VanDerWaalsContact CE1-CB 3.45Å; F78-P93 HydrophobicContact CE2-CB 4.03Å; F78-P93 HydrophobicContact CE2-CG 4.42Å; F78-P93 HydrophobicContact CZ-CB 3.49Å; F78-P93 VanDerWaalsContact CZ-CB 3.49Å; F78-P93 HydrophobicContact CZ-CG 4.29Å; F78-P93 PolarHBondContact N-O 2.72Å; F78-P93 WeakPolarHBondContact O-CD 3.35Å
94R84.4Confident74.7Confident150 Ų15082.2 Ų82.257%0.56643%0.425SS*.EExtended strand (participates in β ladder)trans-121.7133.9179.8-174.1-179.5178.3175.7-1.1110A75 M76 Q77 L92 E96A75-R94 HydrophobicContact CB-CG 4.46Å; A75-R94 VanDerWaalsContact CB-NH2 3.3Å; M76-R94 CarbonylContact O-C 3.55Å; M76-R94 VanDerWaalsContact O-CA 3.29Å; M76-R94 WeakPolarHBondContact O-CA 3.41Å; Q77-R94 HydrophobicContact CG-CB 4.4Å; Q77-R94 HydrophobicContact CG-CG 4.43Å; L92-R94 PolarHBondContact O-N 3.17Å; R94-E96 HydrophobicContact CG-CG 4.27Å; R94-E96 IonicContact CZ-OE1 3.54Å; R94-E96 IonicContact NE-OE1 2.77Å; R94-E96 PolarHBondContact NE-OE1 3.09Å; R94-E96 IonicContact NH1-OE1 3.58Å; R94-E96 IonicContact NH2-OE1 3.04Å; R94-E96 PolarHBondContact NH2-OE1 2.95Å
95V87.5Confident76.8Confident16 Ų1679.3 Ų79.310%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-111.3133.9170.3-173.50000107.8A75 M76 F78 E97 F232 V237A75-V95 CarbonylContact C-O 3.56Å; A75-V95 VanDerWaalsContact CA-O 3.23Å; A75-V95 WeakPolarHBondContact CA-O 3.37Å; M76-V95 PolarHBondContact N-O 3.49Å; M76-V95 PolarHBondContact O-N 3.04Å; F78-V95 HydrophobicContact CD1-CG2 3.96Å; F78-V95 HydrophobicContact CE1-CG2 3.54Å; V95-E97 HydrophobicContact CG1-CG 4.02Å; V95-F232 HydrophobicContact CB-CD1 4.14Å; V95-F232 HydrophobicContact CB-CE1 4.22Å; V95-F232 HydrophobicContact CG1-CD1 3.96Å; V95-F232 HydrophobicContact CG1-CE1 4.04Å; V95-V237 HydrophobicContact CG2-CG1 3.83Å; V95-V237 HydrophobicContact CG2-CG2 4.16Å
96E88.9Confident79Confident87 Ų8775.9 Ų75.941%0.40737%0.368SS..EExtended strand (participates in β ladder)trans-122.2131.7178-62.5-179.1168.800108.1G74 A75 R94G74-E96 WeakPolarHBondContact O-CA 3.1Å; A75-E96 HydrophobicContact CB-CG 3.89Å; R94-E96 HydrophobicContact CG-CG 4.27Å; R94-E96 IonicContact CZ-OE1 3.54Å; R94-E96 IonicContact NE-OE1 2.77Å; R94-E96 PolarHBondContact NE-OE1 3.09Å; R94-E96 IonicContact NH1-OE1 3.58Å; R94-E96 IonicContact NH2-OE1 3.04Å; R94-E96 PolarHBondContact NH2-OE1 2.95Å
97E90.3Very high81.3Confident5 Ų568.2 Ų68.22%0.02333%0.334CS..EExtended strand (participates in β ladder)trans-139149-175.6-62.3-167.3127.200111.8H73 G74 V95 V99 V108 H231 F232H73-E97 WeakPolarHBondContact CA-O 3.45Å; G74-E97 PolarHBondContact N-O 3.34Å; G74-E97 PolarHBondContact O-N 2.78Å; V95-E97 HydrophobicContact CG1-CG 4.02Å; E97-V99 HydrophobicContact CB-CG2 4.48Å; E97-V108 HydrophobicContact CB-CG1 4.29Å; E97-V108 HydrophobicContact CG-CG1 4.36Å; E97-V108 WeakPolarHBondContact OE1-CG1 3.12Å; E97-H231 WeakPolarHBondContact OE1-CA 3.38Å; E97-H231 WeakPolarHBondContact OE1-CB 3.44Å; E97-F232 HydrophobicContact CB-CE1 3.89Å; E97-F232 HydrophobicContact CB-CZ 3.77Å; E97-F232 HydrophobicContact CG-CD1 4.02Å; E97-F232 HydrophobicContact CG-CE1 3.5Å; E97-F232 VanDerWaalsContact CG-CE1 3.5Å; E97-F232 HydrophobicContact CG-CZ 3.92Å; E97-F232 WeakPolarHBondContact OE2-CD1 3.25Å; E97-F232 WeakPolarHBondContact OE2-CE1 3.36Å; E97-F232 VanDerWaalsContact OE2-CG 3.3Å; E97-F232 WeakPolarHBondContact OE2-CG 3.31Å; E97-F232 PolarHBondContact OE2-N 2.93Å
98E91.9Very high83.4Confident89 Ų8965.3 Ų65.342%0.41631%0.313SS..EExtended strand (participates in β ladder)trans-113.2126.1170.2-44-167.5153.900108.7L71 Y72 H73 S109L71-E98 HydrophobicContact CD1-CB 4.1Å; Y72-E98 CarbonylContact O-C 3.6Å; Y72-E98 WeakPolarHBondContact O-CA 3.4Å; H73-E98 IonicContact CE1-OE1 3.05Å; H73-E98 PolarHBondContact CE1-OE1 2.79Å; H73-E98 IonicContact CE1-OE2 3.14Å; H73-E98 VanDerWaalsContact ND1-CG 3.33Å; H73-E98 WeakPolarHBondContact ND1-CG 3.42Å; H73-E98 IonicContact ND1-OE1 3.38Å; H73-E98 PolarHBondContact ND1-OE1 2.86Å; H73-E98 VanDerWaalsContact ND1-OE1 3.14Å; E98-S109 WeakPolarHBondContact O-CB 3.05Å; E98-S109 PolarHBondContact O-N 2.89Å
99V93.4Very high85.7Confident1 Ų159.6 Ų59.61%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-125.4123.9-175.9-170.20000110.5Y72 E97 I101 A106 V107 V108 F162Y72-V99 PolarHBondContact N-O 2.84Å; Y72-V99 PolarHBondContact O-N 3.49Å; E97-V99 HydrophobicContact CB-CG2 4.48Å; V99-I101 HydrophobicContact CB-CG1 4.27Å; V99-I101 HydrophobicContact CG1-CD1 4.14Å; V99-I101 HydrophobicContact CG1-CG1 3.53Å; V99-A106 HydrophobicContact CG1-CB 4.41Å; V99-V107 CarbonylContact C-O 3.58Å; V99-V107 VanDerWaalsContact CA-O 3.3Å; V99-V107 WeakPolarHBondContact CA-O 3.45Å; V99-V108 HydrophobicContact CG1-CG2 4.06Å; V99-V108 HydrophobicContact CG2-CB 4.23Å; V99-V108 HydrophobicContact CG2-CG1 4.04Å; V99-V108 HydrophobicContact CG2-CG2 3.92Å; V99-F162 HydrophobicContact CB-CE1 4.23Å; V99-F162 HydrophobicContact CB-CE2 4.19Å; V99-F162 HydrophobicContact CB-CZ 3.93Å; V99-F162 HydrophobicContact CG2-CE1 3.65Å; V99-F162 HydrophobicContact CG2-CE2 3.76Å; V99-F162 HydrophobicContact CG2-CZ 3.15Å
100E93.8Very high87.6Confident44 Ų4455 Ų5521%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-89.1113167.5-174.1-176.6155.400108.3K69 M105 A106 V107K69-E100 HydrophobicContact CB-CG 4.18Å; K69-E100 WeakPolarHBondContact CE-OE1 3.26Å; K69-E100 WeakPolarHBondContact CG-OE1 3.32Å; K69-E100 IonicContact NZ-OE1 2.89Å; K69-E100 PolarHBondContact NZ-OE1 2.85Å; K69-E100 IonicContact NZ-OE2 3.04Å; K69-E100 PolarHBondContact NZ-OE2 2.9Å; E100-M105 HydrophobicContact CG-CE 4.13Å; E100-M105 WeakPolarHBondContact OE1-CE 3.38Å; E100-A106 CarbonylContact O-C 3.55Å; E100-A106 WeakPolarHBondContact O-CA 3.36Å; E100-V107 HydrophobicContact CB-CB 4.37Å; E100-V107 PolarHBondContact N-O 3.36Å; E100-V107 PolarHBondContact O-N 2.99Å
101I92.9Very high89.2Confident8 Ų849 Ų494%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-112.2134.7-178-50.4169.8000110.3R70 Y72 V99 P155 L158 I159 F162R70-I101 PolarHBondContact O-N 3.06Å; Y72-I101 HydrophobicContact CD2-CB 4.21Å; Y72-I101 HydrophobicContact CD2-CD1 3.71Å; Y72-I101 HydrophobicContact CD2-CG1 3.93Å; Y72-I101 HydrophobicContact CE2-CB 4.05Å; Y72-I101 HydrophobicContact CE2-CD1 4.05Å; Y72-I101 HydrophobicContact CE2-CG1 4.25Å; Y72-I101 HydrophobicContact CG-CD1 4.28Å; V99-I101 HydrophobicContact CB-CG1 4.27Å; V99-I101 HydrophobicContact CG1-CD1 4.14Å; V99-I101 HydrophobicContact CG1-CG1 3.53Å; I101-P155 HydrophobicContact CG2-CB 4.19Å; I101-L158 HydrophobicContact CD1-CB 3.83Å; I101-I159 HydrophobicContact CB-CG1 4.21Å; I101-I159 HydrophobicContact CD1-CG1 4Å; I101-I159 HydrophobicContact CG2-CD1 4.12Å; I101-I159 HydrophobicContact CG2-CG1 3.87Å; I101-F162 HydrophobicContact CD1-CD2 4.19Å
102S91.2Very high90.1Very high45 Ų4544 Ų4432%0.31524%0.237SC..  trans-133.9170.7172.8-175.60000110S104 M105S102-S104 PolarHBondContact O-N 3.08Å; S102-M105 CarbonylContact C-O 3.55Å; S102-M105 PolarHBondContact N-O 3.45Å
103D89.3Confident90.3Very high131 Ų13145.2 Ų45.270%0.70125%0.247SC*.SBendtrans-58.1-24.3-177.5-56.5-32.3000115.5
104S91.6Very high89.8Confident20 Ų2053.6 Ų53.614%0.1427%0.274CS..SBendtrans-127.5-3.8-175.554.80000114.7S102 F127 N128S102-S104 PolarHBondContact O-N 3.08Å; S104-F127 PolarHBondContact O-N 2.84Å; S104-F127 VanDerWaalsContact O-N 3.08Å; S104-N128 VanDerWaalsContact CB-ND2 3.3Å; S104-N128 WeakPolarHBondContact CB-ND2 3.33Å
105M94.1Very high88.7Confident15 Ų1556 Ų567%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-146.6155179.670.674.2-179.600111.4E100 S102 V107 L124 H125 Y194E100-M105 HydrophobicContact CG-CE 4.13Å; E100-M105 WeakPolarHBondContact OE1-CE 3.38Å; S102-M105 CarbonylContact C-O 3.55Å; S102-M105 PolarHBondContact N-O 3.45Å; M105-V107 HydrophobicContact SD-CG2 3.98Å; M105-L124 HydrophobicContact CB-CD1 4.24Å; M105-H125 WeakPolarHBondContact CA-O 3.46Å; M105-H125 WeakPolarHBondContact CB-O 3.16Å; M105-Y194 HydrophobicContact CB-CD2 4.34Å; M105-Y194 HydrophobicContact CB-CE2 4.35Å; M105-Y194 HydrophobicContact CG-CE1 4.34Å; M105-Y194 HydrophobicContact CG-CE2 4.42Å
106A95.4Very high87.7Confident0 Ų061 Ų610%031%0.306CS..EExtended strand (participates in β ladder)trans-135.8137.5165.400000109.1V99 E100 L124 H125 F127 L158V99-A106 HydrophobicContact CG1-CB 4.41Å; E100-A106 CarbonylContact O-C 3.55Å; E100-A106 WeakPolarHBondContact O-CA 3.36Å; A106-L124 WeakPolarHBondContact O-CA 3.46Å; A106-H125 HydrophobicContact CB-CB 4.43Å; A106-H125 PolarHBondContact N-O 2.9Å; A106-H125 PolarHBondContact O-N 3.06Å; A106-F127 HydrophobicContact CB-CE2 3.8Å; A106-F127 HydrophobicContact CB-CZ 4.26Å; A106-L158 HydrophobicContact CB-CD1 4.12Å
107V96Very high86.8Confident32 Ų3261.4 Ų61.419%0.19432%0.316CS..EExtended strand (participates in β ladder)trans-119.8114175.6-178.20000109V99 E100 M105 Y122 I123 L124V99-V107 CarbonylContact C-O 3.58Å; V99-V107 VanDerWaalsContact CA-O 3.3Å; V99-V107 WeakPolarHBondContact CA-O 3.45Å; E100-V107 HydrophobicContact CB-CB 4.37Å; E100-V107 PolarHBondContact N-O 3.36Å; E100-V107 PolarHBondContact O-N 2.99Å; M105-V107 HydrophobicContact SD-CG2 3.98Å; V107-Y122 HydrophobicContact CG1-CD1 4.48Å; V107-I123 CarbonylContact C-O 3.56Å; V107-I123 VanDerWaalsContact CA-O 3.3Å; V107-I123 WeakPolarHBondContact CA-O 3.17Å; V107-L124 HydrophobicContact CG2-CB 4.48Å; V107-L124 HydrophobicContact CG2-CD1 3.56Å
108V95.4Very high86.4Confident5 Ų562 Ų623%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-93130.5174.6-174.60000109.1E97 V99 V110 Y122 I123E97-V108 HydrophobicContact CB-CG1 4.29Å; E97-V108 HydrophobicContact CG-CG1 4.36Å; E97-V108 WeakPolarHBondContact OE1-CG1 3.12Å; V99-V108 HydrophobicContact CG1-CG2 4.06Å; V99-V108 HydrophobicContact CG2-CB 4.23Å; V99-V108 HydrophobicContact CG2-CG1 4.04Å; V99-V108 HydrophobicContact CG2-CG2 3.92Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å; V108-Y122 WeakPolarHBondContact O-CA 3.44Å; V108-I123 HydrophobicContact CB-CB 4.15Å; V108-I123 PolarHBondContact N-O 2.81Å; V108-I123 PolarHBondContact O-N 3Å
109S94.3Very high86.3Confident31 Ų3159.8 Ų59.822%0.21732%0.315CS..EExtended strand (participates in β ladder)trans-103.3108.6174.9-54.20000109.2E98 P111 Y122E98-S109 WeakPolarHBondContact O-CB 3.05Å; E98-S109 PolarHBondContact O-N 2.89Å; S109-P111 WeakPolarHBondContact O-CD 3.3Å; S109-Y122 WeakPolarHBondContact OG-CE1 3.28Å
110V92.7Very high86.3Confident14 Ų1460.7 Ų60.79%0.08532%0.321CS..EExtended strand (participates in β ladder)trans-92.1110.6177.8-176.20000108.6V108 A121 I123 I229 H231V108-V110 HydrophobicContact CG1-CG2 4.28Å; V110-A121 WeakPolarHBondContact CB-O 3.3Å; V110-A121 PolarHBondContact N-O 2.9Å; V110-A121 PolarHBondContact O-N 3.11Å; V110-I123 HydrophobicContact CG2-CD1 3.74Å; V110-I123 HydrophobicContact CG2-CG1 4.28Å; V110-I229 HydrophobicContact CG1-CG2 4.3Å; V110-I229 HydrophobicContact CG2-CG2 4.04Å; V110-H231 HydrophobicContact CG2-CB 4.2Å
111P89.1Confident86.3Confident69 Ų6958.6 Ų58.645%0.44831%0.311SS..PPolyproline II helixtrans-71157.9-178.930.2-35000111.3S109S109-P111 WeakPolarHBondContact O-CD 3.3Å
112P85.1Confident86.5Confident94 Ų9462.8 Ų62.861%0.6133%0.327SS*.PPolyproline II helixtrans-55132.7170.1-22.332.4000110.5P120P112-P120 HydrophobicContact CB-CB 4.37Å; P112-P120 HydrophobicContact CG-CB 4.02Å; P112-P120 HydrophobicContact CG-CG 4.5Å
113P77.4Confident86.7Confident61 Ų6160.6 Ų60.640%0.39631%0.312SS..PPolyproline II helixtrans-71.8143-174.234-40.6000111R116 G118P113-R116 WeakPolarHBondContact CB-O 3.34Å; P113-R116 VanDerWaalsContact CG-O 3.24Å; P113-R116 WeakPolarHBondContact CG-O 3.32Å; P113-G118 WeakPolarHBondContact CD-O 3.48Å; P113-G118 WeakPolarHBondContact CG-O 3.1Å
114R70.1Confident87.1Confident208 Ų20854.6 Ų54.679%0.78528%0.28SS*.SBendtrans-86.9-33.6-179.5-63.7-176.5-176.3176.34.5113.7
115F61.8Low87.4Confident200 Ų20053.7 Ų53.788%0.87727%0.274SS*.SBendtrans-133-19.1-166.3-60.5-71000115.3
116R66.9Low87.5Confident121 Ų12153.2 Ų53.246%0.45727%0.271SS..SBendtrans-126.7156.1-176.3-71.7-111-176.5157.7-1.8109.6P113 G118P113-R116 WeakPolarHBondContact CB-O 3.34Å; P113-R116 VanDerWaalsContact CG-O 3.24Å; P113-R116 WeakPolarHBondContact CG-O 3.32Å; R116-G118 PolarHBondContact O-N 2.93Å
117P71.1Confident87.5Confident96 Ų9654.8 Ų54.862%0.62328%0.278SS*.  trans-60.1139.3170.125.5-33.1000110.1
118G81.4Confident87.5Confident18 Ų1859.1 Ų59.119%0.18630%0.3CS..  trans174.1142.2-178.100000110P113 R116 T228P113-G118 WeakPolarHBondContact CD-O 3.48Å; P113-G118 WeakPolarHBondContact CG-O 3.1Å; R116-G118 PolarHBondContact O-N 2.93Å; G118-T228 CarbonylContact C-O 3.59Å; G118-T228 VanDerWaalsContact CA-O 3.3Å; G118-T228 WeakPolarHBondContact CA-O 3.46Å
119D89.1Confident87.5Confident42 Ų4266.2 Ų66.223%0.22533%0.327CS..  trans-101130.4-177.2-63-72.9000109.6F227 T228 I229D119-F227 HydrophobicContact CB-CB 4.39Å; D119-F227 WeakPolarHBondContact OD2-CA 3.28Å; D119-F227 WeakPolarHBondContact OD2-CB 3.3Å; D119-T228 PolarHBondContact N-O 2.9Å; D119-T228 PolarHBondContact OD2-N 3.42Å; D119-I229 HydrophobicContact CB-CG1 4.48Å
120P92.9Very high87.6Confident20 Ų2071.2 Ų71.213%0.1334%0.344CS..  trans-67.8135.4178.228.7-33.7000109.9P112 L137P112-P120 HydrophobicContact CB-CB 4.37Å; P112-P120 HydrophobicContact CG-CB 4.02Å; P112-P120 HydrophobicContact CG-CG 4.5Å; P120-L137 HydrophobicContact CB-CB 4.37Å; P120-L137 HydrophobicContact CB-CD1 4.18Å; P120-L137 HydrophobicContact CG-CB 4.24Å; P120-L137 WeakPolarHBondContact O-CB 2.91Å; P120-L137 PolarHBondContact O-N 2.88Å
121A95.1Very high87.8Confident1 Ų171.7 Ų71.71%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-151.2156.7-173.900000112.9V110 L135 I229V110-A121 WeakPolarHBondContact CB-O 3.3Å; V110-A121 PolarHBondContact N-O 2.9Å; V110-A121 PolarHBondContact O-N 3.11Å; A121-L135 CarbonylContact C-O 3.55Å; A121-L135 WeakPolarHBondContact CA-O 3.45Å; A121-L135 WeakPolarHBondContact CB-O 3.3Å; A121-I229 HydrophobicContact CB-CD1 3.66Å; A121-I229 HydrophobicContact CB-CG1 4.17Å; A121-I229 HydrophobicContact CB-CG2 4.16Å
122Y96.1Very high88.2Confident95 Ų9568.6 Ų68.637%0.37333%0.326SS..EExtended strand (participates in β ladder)trans-104.2135.3159.3-70.9-64.7000109.5V107 V108 S109 L135 L137V107-Y122 HydrophobicContact CG1-CD1 4.48Å; V108-Y122 WeakPolarHBondContact O-CA 3.44Å; S109-Y122 WeakPolarHBondContact OG-CE1 3.28Å; Y122-L135 HydrophobicContact CD2-CD2 4.16Å; Y122-L135 PolarHBondContact N-O 2.88Å; Y122-L135 PolarHBondContact O-N 2.78Å; Y122-L137 HydrophobicContact CD2-CD1 4.29Å; Y122-L137 HydrophobicContact CD2-CD2 3.68Å; Y122-L137 HydrophobicContact CD2-CG 4.34Å; Y122-L137 HydrophobicContact CE2-CD1 4.08Å; Y122-L137 HydrophobicContact CE2-CD2 3.76Å; Y122-L137 HydrophobicContact CE2-CG 4.48Å
123I96.9Very high88.8Confident0 Ų064.1 Ų64.10%030%0.297CS..EExtended strand (participates in β ladder)trans-121113.9-179.2-47172.3000107.8V107 V108 V110 T132 V133 Y134 I229 H231 E233V107-I123 CarbonylContact C-O 3.56Å; V107-I123 VanDerWaalsContact CA-O 3.3Å; V107-I123 WeakPolarHBondContact CA-O 3.17Å; V108-I123 HydrophobicContact CB-CB 4.15Å; V108-I123 PolarHBondContact N-O 2.81Å; V108-I123 PolarHBondContact O-N 3Å; V110-I123 HydrophobicContact CG2-CD1 3.74Å; V110-I123 HydrophobicContact CG2-CG1 4.28Å; I123-T132 HydrophobicContact CG2-CG2 3.71Å; I123-V133 CarbonylContact C-O 3.53Å; I123-V133 WeakPolarHBondContact CA-O 3.44Å; I123-Y134 HydrophobicContact CB-CD1 4.43Å; I123-Y134 HydrophobicContact CB-CE1 4.49Å; I123-Y134 HydrophobicContact CD1-CD1 3.92Å; I123-Y134 HydrophobicContact CD1-CE1 3.73Å; I123-Y134 HydrophobicContact CG1-CD1 3.76Å; I123-Y134 HydrophobicContact CG1-CE1 3.99Å; I123-Y134 HydrophobicContact CG2-CD1 3.96Å; I123-Y134 HydrophobicContact CG2-CE1 3.74Å; I123-Y134 HydrophobicContact CG2-CG 4.46Å; I123-I229 HydrophobicContact CD1-CG2 3.95Å; I123-H231 HydrophobicContact CD1-CB 3.95Å; I123-H231 WeakPolarHBondContact CD1-CD2 3.15Å; I123-E233 WeakPolarHBondContact CG2-OE1 3.46Å
124L97.3Very high89.7Confident5 Ų561.4 Ų61.43%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-105.5120.2180167.468.9000109.3M105 A106 V107 T132 V133 I195 L198M105-L124 HydrophobicContact CB-CD1 4.24Å; A106-L124 WeakPolarHBondContact O-CA 3.46Å; V107-L124 HydrophobicContact CG2-CB 4.48Å; V107-L124 HydrophobicContact CG2-CD1 3.56Å; L124-T132 CarbonylContact O-C 3.52Å; L124-T132 WeakPolarHBondContact O-CA 3.37Å; L124-V133 HydrophobicContact CB-CB 4.39Å; L124-V133 PolarHBondContact N-O 3.13Å; L124-V133 PolarHBondContact O-N 2.69Å; L124-I195 HydrophobicContact CD2-CG1 3.94Å; L124-L198 HydrophobicContact CB-CD2 3.72Å; L124-L198 HydrophobicContact CD2-CB 4.4Å; L124-L198 HydrophobicContact CD2-CD2 3.99Å
125H97.1Very high91Very high1 Ų151.9 Ų51.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-95.5120.8165.7-57.3-61.5000109.7M105 A106 F127 T132 L147 E233M105-H125 WeakPolarHBondContact CA-O 3.46Å; M105-H125 WeakPolarHBondContact CB-O 3.16Å; A106-H125 HydrophobicContact CB-CB 4.43Å; A106-H125 PolarHBondContact N-O 2.9Å; A106-H125 PolarHBondContact O-N 3.06Å; H125-F127 HydrophobicContact CB-CD2 4.41Å; H125-F127 HydrophobicContact CB-CE1 4.44Å; H125-F127 HydrophobicContact CB-CE2 3.86Å; H125-F127 HydrophobicContact CB-CZ 3.89Å; H125-T132 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T132 PolarHBondContact ND1-OG1 3.29Å; H125-L147 HydrophobicContact CB-CD1 4.45Å; H125-E233 IonicContact CE1-OE1 2.72Å; H125-E233 PolarHBondContact CE1-OE1 2.81Å; H125-E233 IonicContact CE1-OE2 2.91Å; H125-E233 PolarHBondContact CE1-OE2 2.93Å; H125-E233 IonicContact NE2-OE1 3.25Å; H125-E233 PolarHBondContact NE2-OE1 2.69Å; H125-E233 IonicContact NE2-OE2 2.72Å
126D96.8Very high92.5Very high5 Ų542.4 Ų42.43%0.02720%0.202CC..EExtended strand (participates in β ladder)trans-102.4101.4165.5-171.9-34.6000108.2N128 R129 K130 L131 I195D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 2.75Å; D126-N128 WeakPolarHBondContact OD1-CB 3.3Å; D126-N128 PolarHBondContact OD1-N 2.83Å; D126-R129 HydrophobicContact CB-CB 4.19Å; D126-R129 PolarHBondContact OD1-N 2.85Å; D126-R129 WeakPolarHBondContact OD2-CG 3.41Å; D126-K130 VanDerWaalsContact O-CA 3.28Å; D126-K130 WeakPolarHBondContact O-CA 3.29Å; D126-K130 PolarHBondContact O-N 2.91Å; D126-L131 PolarHBondContact N-O 2.97Å; D126-L131 PolarHBondContact O-N 2.82Å; D126-L131 VanDerWaalsContact O-N 3.12Å; D126-I195 HydrophobicContact CB-CD1 4.46Å
127F95.7Very high93.7Very high33 Ų3340.4 Ų40.415%0.14520%0.2CC..THydrogen-bonded Turntrans-71.5-25.8-177.1-64.6-81.9000112.2S104 A106 H125 L147 V152 L153 P155 L158S104-F127 PolarHBondContact O-N 2.84Å; S104-F127 VanDerWaalsContact O-N 3.08Å; A106-F127 HydrophobicContact CB-CE2 3.8Å; A106-F127 HydrophobicContact CB-CZ 4.26Å; H125-F127 HydrophobicContact CB-CD2 4.41Å; H125-F127 HydrophobicContact CB-CE1 4.44Å; H125-F127 HydrophobicContact CB-CE2 3.86Å; H125-F127 HydrophobicContact CB-CZ 3.89Å; F127-L147 HydrophobicContact CD1-CD2 3.75Å; F127-L147 HydrophobicContact CE1-CD2 4.2Å; F127-L147 HydrophobicContact CG-CD2 4.48Å; F127-V152 HydrophobicContact CE1-CG1 4.1Å; F127-V152 HydrophobicContact CZ-CG1 4.32Å; F127-L153 WeakPolarHBondContact CE1-O 3.4Å; F127-P155 HydrophobicContact CD1-CG 4.39Å; F127-P155 HydrophobicContact CD2-CG 3.57Å; F127-P155 HydrophobicContact CE1-CG 4.44Å; F127-P155 HydrophobicContact CE2-CG 3.63Å; F127-P155 HydrophobicContact CG-CG 3.97Å; F127-P155 HydrophobicContact CZ-CG 4.08Å; F127-L158 HydrophobicContact CZ-CD1 3.94Å
128N94.6Very high94.7Very high122 Ų12240.4 Ų40.465%0.65220%0.198SC*.THydrogen-bonded Turntrans-74.3-46.2177.9-73.7-12.5000111.2S104 D126 K130S104-N128 VanDerWaalsContact CB-ND2 3.3Å; S104-N128 WeakPolarHBondContact CB-ND2 3.33Å; D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 2.75Å; D126-N128 WeakPolarHBondContact OD1-CB 3.3Å; D126-N128 PolarHBondContact OD1-N 2.83Å; N128-K130 VanDerWaalsContact C-N 3.31Å
129R95.5Very high95.1Very high155 Ų15543.3 Ų43.359%0.58521%0.209SC*.THydrogen-bonded Turntrans-81.1-13.8177.5-63.5-69.6-175.3-174.61.6112.8D126 L131D126-R129 HydrophobicContact CB-CB 4.19Å; D126-R129 PolarHBondContact OD1-N 2.85Å; D126-R129 WeakPolarHBondContact OD2-CG 3.41Å; R129-L131 VanDerWaalsContact C-N 3.33Å; R129-L131 HydrophobicContact CB-CD1 4.14Å; R129-L131 HydrophobicContact CB-CG 4.22Å
130K96.5Very high95.4Very high136 Ų13649.9 Ų49.959%0.59123%0.231SC*.THydrogen-bonded Turntrans55.847.9-174-55.4178.8-178.6-179.10111.3D126 N128 L147D126-K130 VanDerWaalsContact O-CA 3.28Å; D126-K130 WeakPolarHBondContact O-CA 3.29Å; D126-K130 PolarHBondContact O-N 2.91Å; N128-K130 VanDerWaalsContact C-N 3.31Å; K130-L147 HydrophobicContact CB-CB 4.31Å; K130-L147 WeakPolarHBondContact O-CB 3.38Å; K130-L147 PolarHBondContact O-N 2.9Å
131L97.2Very high95.4Very high23 Ų2349.5 Ų49.512%0.1223%0.228CC..EExtended strand (participates in β ladder)trans-124.7142.2177.5-67.2174.5000109.7D126 R129 V144 L191 I195D126-L131 PolarHBondContact N-O 2.97Å; D126-L131 PolarHBondContact O-N 2.82Å; D126-L131 VanDerWaalsContact O-N 3.12Å; R129-L131 VanDerWaalsContact C-N 3.33Å; R129-L131 HydrophobicContact CB-CD1 4.14Å; R129-L131 HydrophobicContact CB-CG 4.22Å; L131-V144 HydrophobicContact CD2-CG1 4.24Å; L131-L191 HydrophobicContact CD1-CB 4.44Å; L131-L191 HydrophobicContact CD1-CD2 4.31Å; L131-I195 HydrophobicContact CB-CD1 3.75Å; L131-I195 HydrophobicContact CD1-CD1 3.68Å; L131-I195 HydrophobicContact CG-CD1 4.37Å
132T97.3Very high95.5Very high4 Ų449.5 Ų49.53%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-111.2138.8165.7-58.50000108.5I123 L124 H125 Y134 I145 L147I123-T132 HydrophobicContact CG2-CG2 3.71Å; L124-T132 CarbonylContact O-C 3.52Å; L124-T132 WeakPolarHBondContact O-CA 3.37Å; H125-T132 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T132 PolarHBondContact ND1-OG1 3.29Å; T132-Y134 HydrophobicContact CG2-CD2 4.04Å; T132-Y134 HydrophobicContact CG2-CE2 3.47Å; T132-Y134 VanDerWaalsContact CG2-CE2 3.47Å; T132-I145 PolarHBondContact N-O 3.21Å; T132-I145 PolarHBondContact O-N 3.1Å; T132-L147 WeakPolarHBondContact OG1-CD1 3.24Å
133V97.5Very high95.6Very high0 Ų045.2 Ų45.20%021%0.211CC..EExtended strand (participates in β ladder)trans-124.9122.6177.2-177.40000109.5I123 L124 C142 F143 V144 I195 L198 C199I123-V133 CarbonylContact C-O 3.53Å; I123-V133 WeakPolarHBondContact CA-O 3.44Å; L124-V133 HydrophobicContact CB-CB 4.39Å; L124-V133 PolarHBondContact N-O 3.13Å; L124-V133 PolarHBondContact O-N 2.69Å; V133-C142 HydrophobicContact CG1-CB 4.21Å; V133-F143 CarbonylContact C-O 3.58Å; V133-F143 WeakPolarHBondContact CA-O 3.09Å; V133-V144 HydrophobicContact CG1-CG2 4.4Å; V133-V144 HydrophobicContact CG2-CG1 4.33Å; V133-V144 HydrophobicContact CG2-CG2 4.1Å; V133-I195 HydrophobicContact CG2-CB 4.29Å; V133-I195 HydrophobicContact CG2-CD1 3.63Å; V133-I195 HydrophobicContact CG2-CG1 3.64Å; V133-I195 HydrophobicContact CG2-CG2 3.82Å; V133-L198 HydrophobicContact CG1-CD2 4.34Å; V133-C199 VanDerWaalsContact CG1-SG 3.55Å
134Y96.9Very high95.6Very high4 Ų445.3 Ų45.32%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-98.5116171.6-63.4-97.5000108.1I123 T132 C142 F143 I145 M207 I229 H231 T240 I242I123-Y134 HydrophobicContact CB-CD1 4.43Å; I123-Y134 HydrophobicContact CB-CE1 4.49Å; I123-Y134 HydrophobicContact CD1-CD1 3.92Å; I123-Y134 HydrophobicContact CD1-CE1 3.73Å; I123-Y134 HydrophobicContact CG1-CD1 3.76Å; I123-Y134 HydrophobicContact CG1-CE1 3.99Å; I123-Y134 HydrophobicContact CG2-CD1 3.96Å; I123-Y134 HydrophobicContact CG2-CE1 3.74Å; I123-Y134 HydrophobicContact CG2-CG 4.46Å; T132-Y134 HydrophobicContact CG2-CD2 4.04Å; T132-Y134 HydrophobicContact CG2-CE2 3.47Å; T132-Y134 VanDerWaalsContact CG2-CE2 3.47Å; Y134-C142 CarbonylContact O-C 3.58Å; Y134-C142 WeakPolarHBondContact O-CA 3.44Å; Y134-F143 PolarHBondContact N-O 3.13Å; Y134-F143 PolarHBondContact O-N 3.18Å; Y134-I145 HydrophobicContact CD2-CG2 4.44Å; Y134-I145 HydrophobicContact CE2-CG2 3.95Å; Y134-M207 HydrophobicContact CD2-CE 3.66Å; Y134-M207 HydrophobicContact CE2-CE 4.29Å; Y134-M207 HydrophobicContact CG-CE 4.41Å; Y134-I229 HydrophobicContact CD1-CD1 3.87Å; Y134-H231 AromaticContact CE1-NE2 3.76Å; Y134-H231 PolarHBondContact OH-NE2 3Å; Y134-T240 HydrophobicContact CE1-CG2 4.37Å; Y134-I242 HydrophobicContact CG-CD1 4.28Å
135L96.4Very high95.6Very high8 Ų845.3 Ų45.34%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-99.2107.1169.6168.758.5000108.4A121 Y122 L137 L198 K202A121-L135 CarbonylContact C-O 3.55Å; A121-L135 WeakPolarHBondContact CA-O 3.45Å; A121-L135 WeakPolarHBondContact CB-O 3.3Å; Y122-L135 HydrophobicContact CD2-CD2 4.16Å; Y122-L135 PolarHBondContact N-O 2.88Å; Y122-L135 PolarHBondContact O-N 2.78Å; L135-L137 HydrophobicContact CD2-CD2 4.44Å; L135-L137 HydrophobicContact CG-CD2 4.37Å; L135-L137 PolarHBondContact O-N 2.84Å; L135-L198 HydrophobicContact CB-CD2 4.34Å; L135-L198 HydrophobicContact CB-CG 4.44Å; L135-L198 HydrophobicContact CD2-CD1 3.65Å; L135-L198 HydrophobicContact CD2-CG 4.03Å; L135-K202 HydrophobicContact CD1-CD 3.45Å; L135-K202 VanDerWaalsContact CD1-CD 3.45Å; L135-K202 HydrophobicContact CD2-CD 4.32Å
136D94.3Very high95.6Very high2 Ų248.1 Ų48.11%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-72.9123.7171.4-175.8-42.3000109.2T138 L139 R140 T141 F143 F227D136-T138 WeakPolarHBondContact OD1-CA 3.3Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.34Å; D136-T138 PolarHBondContact OD1-N 2.8Å; D136-L139 HydrophobicContact CB-CB 4.23Å; D136-L139 PolarHBondContact OD1-N 2.81Å; D136-R140 WeakPolarHBondContact O-CA 2.94Å; D136-R140 PolarHBondContact O-N 2.83Å; D136-T141 PolarHBondContact N-O 2.85Å; D136-T141 PolarHBondContact O-N 3.05Å; D136-F143 HydrophobicContact CB-CE2 4.05Å; D136-F227 HydrophobicContact CB-CE2 4.46Å
137L93Very high95.5Very high78 Ų7848.6 Ų48.641%0.40823%0.233SC..THydrogen-bonded Turntrans-79.4-23.1-177.9-66.7179.3000113.4P120 Y122 L135P120-L137 HydrophobicContact CB-CB 4.37Å; P120-L137 HydrophobicContact CB-CD1 4.18Å; P120-L137 HydrophobicContact CG-CB 4.24Å; P120-L137 WeakPolarHBondContact O-CB 2.91Å; P120-L137 PolarHBondContact O-N 2.88Å; Y122-L137 HydrophobicContact CD2-CD1 4.29Å; Y122-L137 HydrophobicContact CD2-CD2 3.68Å; Y122-L137 HydrophobicContact CD2-CG 4.34Å; Y122-L137 HydrophobicContact CE2-CD1 4.08Å; Y122-L137 HydrophobicContact CE2-CD2 3.76Å; Y122-L137 HydrophobicContact CE2-CG 4.48Å; L135-L137 HydrophobicContact CD2-CD2 4.44Å; L135-L137 HydrophobicContact CG-CD2 4.37Å; L135-L137 PolarHBondContact O-N 2.84Å
138T90.8Very high95.3Very high97 Ų9749.2 Ų49.260%0.59524%0.238SC*.THydrogen-bonded Turntrans-78.8-50.4177.7-53.30000110.6D136D136-T138 WeakPolarHBondContact OD1-CA 3.3Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.34Å; D136-T138 PolarHBondContact OD1-N 2.8Å
139L90.8Very high95.1Very high78 Ų7848 Ų4841%0.40823%0.234SC..THydrogen-bonded Turntrans-81.5-19.2-179.8-61.7179.4000112.7D136 T141 F227D136-L139 HydrophobicContact CB-CB 4.23Å; D136-L139 PolarHBondContact OD1-N 2.81Å; L139-T141 PolarHBondContact O-N 2.87Å; L139-T141 PolarHBondContact O-OG1 2.75Å; L139-F227 HydrophobicContact CD1-CD1 4.3Å; L139-F227 HydrophobicContact CD1-CE1 4.36Å
140R93.8Very high94.8Very high180 Ų18045.5 Ų45.568%0.67924%0.241SC*.THydrogen-bonded Turntrans58.835.6-174.8-146.3178.9-166.7178.3-0.1112.3D136 K202D136-R140 WeakPolarHBondContact O-CA 2.94Å; D136-R140 PolarHBondContact O-N 2.83Å; R140-K202 WeakPolarHBondContact O-CB 3.47Å
141T94.9Very high94.4Very high13 Ų1341 Ų418%0.0823%0.225CC..EExtended strand (participates in β ladder)trans-118.9137.4-174-62.30000110D136 L139 F143 E203 Y205D136-T141 PolarHBondContact N-O 2.85Å; D136-T141 PolarHBondContact O-N 3.05Å; L139-T141 PolarHBondContact O-N 2.87Å; L139-T141 PolarHBondContact O-OG1 2.75Å; T141-F143 HydrophobicContact CG2-CD1 4.41Å; T141-F143 HydrophobicContact CG2-CD2 4.35Å; T141-F143 HydrophobicContact CG2-CE1 3.82Å; T141-F143 HydrophobicContact CG2-CE2 3.73Å; T141-F143 HydrophobicContact CG2-CZ 3.45Å; T141-F143 VanDerWaalsContact CG2-CZ 3.45Å; T141-E203 CarbonylContact C-O 3.53Å; T141-E203 WeakPolarHBondContact CA-O 3.37Å; T141-E203 HydrophobicContact CG2-CB 4.16Å; T141-E203 WeakPolarHBondContact CG2-O 3.43Å; T141-Y205 HydrophobicContact CG2-CD2 3.45Å; T141-Y205 VanDerWaalsContact CG2-CD2 3.45Å; T141-Y205 HydrophobicContact CG2-CE2 3.62Å
142C97.1Very high94.2Very high0 Ų040.3 Ų40.30%022%0.221CC..EExtended strand (participates in β ladder)trans-93.6138.6173.2-80.90000111.3V133 Y134 C199 E203 T204 Y205V133-C142 HydrophobicContact CG1-CB 4.21Å; Y134-C142 CarbonylContact O-C 3.58Å; Y134-C142 WeakPolarHBondContact O-CA 3.44Å; C142-C199 HydrophobicContact CB-CB 3.76Å; C142-C199 WeakPolarHBondContact CB-SG 3.31Å; C142-C199 WeakPolarHBondContact SG-CA 3.28Å; C142-C199 WeakPolarHBondContact SG-CB 3.29Å; C142-C199 CovalentContact SG-SG 2.04Å; C142-C199 PolarHBondContact SG-SG 3.34Å; C142-E203 PolarHBondContact N-O 3.36Å; C142-T204 HydrophobicContact CB-CG2 3.97Å; C142-T204 CarbonylContact O-C 3.52Å; C142-T204 VanDerWaalsContact O-CA 3.28Å; C142-T204 WeakPolarHBondContact O-CA 3.5Å; C142-Y205 PolarHBondContact O-N 2.91Å
143F97.1Very high94.1Very high6 Ų641.3 Ų41.33%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-126.5124.1175.8-55.4-87.3000110.5V133 Y134 D136 T141 V181 Y205 M207 F227V133-F143 CarbonylContact C-O 3.58Å; V133-F143 WeakPolarHBondContact CA-O 3.09Å; Y134-F143 PolarHBondContact N-O 3.13Å; Y134-F143 PolarHBondContact O-N 3.18Å; D136-F143 HydrophobicContact CB-CE2 4.05Å; T141-F143 HydrophobicContact CG2-CD1 4.41Å; T141-F143 HydrophobicContact CG2-CD2 4.35Å; T141-F143 HydrophobicContact CG2-CE1 3.82Å; T141-F143 HydrophobicContact CG2-CE2 3.73Å; T141-F143 HydrophobicContact CG2-CZ 3.45Å; T141-F143 VanDerWaalsContact CG2-CZ 3.45Å; F143-V181 HydrophobicContact CD1-CG2 3.89Å; F143-V181 HydrophobicContact CE1-CG2 3.75Å; F143-Y205 CarbonylContact C-O 3.58Å; F143-Y205 VanDerWaalsContact CA-O 3.3Å; F143-Y205 WeakPolarHBondContact CA-O 3.41Å; F143-Y205 HydrophobicContact CE1-CD2 4.2Å; F143-M207 HydrophobicContact CB-CE 3.27Å; F143-M207 HydrophobicContact CB-CG 3.87Å; F143-M207 HydrophobicContact CB-SD 3.41Å; F143-M207 WeakPolarHBondContact CB-SD 3.43Å; F143-M207 HydrophobicContact CD1-CG 4.24Å; F143-M207 HydrophobicContact CD1-SD 4.12Å; F143-M207 HydrophobicContact CG-CE 4.38Å; F143-M207 HydrophobicContact CG-CG 4.49Å; F143-M207 HydrophobicContact CG-SD 3.98Å; F143-F227 HydrophobicContact CD2-CE2 4.29Å; F143-F227 AromaticContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CE1-CE1 4.28Å; F143-F227 HydrophobicContact CE1-CZ 4.15Å; F143-F227 AromaticContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE2 4.01Å; F143-F227 AromaticContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CG-CZ 4.27Å; F143-F227 AromaticContact CZ-CE1 3.65Å; F143-F227 HydrophobicContact CZ-CE1 3.65Å; F143-F227 AromaticContact CZ-CZ 3.49Å; F143-F227 HydrophobicContact CZ-CZ 3.49Å; F143-F227 VanDerWaalsContact CZ-CZ 3.49Å
144V97.4Very high94Very high2 Ų244.1 Ų44.11%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-112.4130.2-169.6-174.90000110.4L131 V133 I185 L191 T204 Y205 R206 M207L131-V144 HydrophobicContact CD2-CG1 4.24Å; V133-V144 HydrophobicContact CG1-CG2 4.4Å; V133-V144 HydrophobicContact CG2-CG1 4.33Å; V133-V144 HydrophobicContact CG2-CG2 4.1Å; V144-I185 HydrophobicContact CB-CD1 4.17Å; V144-I185 HydrophobicContact CG2-CD1 4.19Å; V144-L191 HydrophobicContact CG1-CD1 4.49Å; V144-L191 HydrophobicContact CG2-CD1 4.07Å; V144-T204 HydrophobicContact CG2-CG2 3.62Å; V144-Y205 PolarHBondContact N-O 3.44Å; V144-R206 CarbonylContact O-C 3.53Å; V144-R206 WeakPolarHBondContact O-CA 3.49Å; V144-M207 PolarHBondContact O-N 2.91Å
145I96.6Very high93.8Very high4 Ų444.6 Ų44.62%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-137.9148.9178-169.2169.6000110.9T132 Y134 L147 L179 M207 R209T132-I145 PolarHBondContact N-O 3.21Å; T132-I145 PolarHBondContact O-N 3.1Å; Y134-I145 HydrophobicContact CD2-CG2 4.44Å; Y134-I145 HydrophobicContact CE2-CG2 3.95Å; I145-L147 PolarHBondContact O-N 3.12Å; I145-L179 HydrophobicContact CD1-CD1 3.89Å; I145-L179 HydrophobicContact CD1-CD2 3.41Å; I145-L179 VanDerWaalsContact CD1-CD2 3.41Å; I145-L179 HydrophobicContact CD1-CG 4.28Å; I145-M207 HydrophobicContact CB-CB 4.42Å; I145-M207 HydrophobicContact CB-CE 4.33Å; I145-M207 HydrophobicContact CG2-CE 4.39Å; I145-R209 HydrophobicContact CD1-CG 4.31Å
146P96.5Very high93.7Very high60 Ų6049.5 Ų49.539%0.3927%0.271SS..EExtended strand (participates in β ladder)trans-58.2130167.8-25.135.9000112.1N148P146-N148 PolarHBondContact O-N 3.3Å
147L95Very high93.7Very high16 Ų1653 Ų538%0.08429%0.29CS..  trans-61.8129.5177.7-179.969000109.9H125 F127 K130 T132 I145 T149 V152H125-L147 HydrophobicContact CB-CD1 4.45Å; F127-L147 HydrophobicContact CD1-CD2 3.75Å; F127-L147 HydrophobicContact CE1-CD2 4.2Å; F127-L147 HydrophobicContact CG-CD2 4.48Å; K130-L147 HydrophobicContact CB-CB 4.31Å; K130-L147 WeakPolarHBondContact O-CB 3.38Å; K130-L147 PolarHBondContact O-N 2.9Å; T132-L147 WeakPolarHBondContact OG1-CD1 3.24Å; I145-L147 PolarHBondContact O-N 3.12Å; L147-T149 HydrophobicContact CD2-CG2 4.09Å; L147-T149 HydrophobicContact CG-CG2 4.29Å; L147-T149 PolarHBondContact O-N 3.06Å; L147-V152 HydrophobicContact CD1-CB 3.82Å; L147-V152 HydrophobicContact CD1-CG1 4Å; L147-V152 HydrophobicContact CD1-CG2 3.62Å
148N92.6Very high93.7Very high46 Ų4649.6 Ų49.625%0.24627%0.272CS..  trans-94.795.3172.3-172.9-9000109.8P146 S150 V151 V152P146-N148 PolarHBondContact O-N 3.3Å; N148-S150 PolarHBondContact O-N 2.77Å; N148-S150 VanDerWaalsContact O-N 3.13Å; N148-S150 WeakPolarHBondContact OD1-CB 3.47Å; N148-S150 PolarHBondContact OD1-N 2.69Å; N148-V151 HydrophobicContact CB-CB 4.33Å; N148-V151 HydrophobicContact CB-CG2 4.47Å; N148-V151 WeakPolarHBondContact ND2-CG2 3.42Å; N148-V151 PolarHBondContact O-N 3.37Å; N148-V152 PolarHBondContact O-N 3.32Å
149T90.3Very high93.8Very high95 Ų9545.9 Ų45.958%0.58325%0.248SC*.THydrogen-bonded Turntrans-67.6-9.7-178.157.50000114L147L147-T149 HydrophobicContact CD2-CG2 4.09Å; L147-T149 HydrophobicContact CG-CG2 4.29Å; L147-T149 PolarHBondContact O-N 3.06Å
150S88.2Confident93.8Very high104 Ų10446.6 Ų46.673%0.72725%0.252SS*.THydrogen-bonded Turntrans-83.8-20.5172.3-57.90000112.4N148N148-S150 PolarHBondContact O-N 2.77Å; N148-S150 VanDerWaalsContact O-N 3.13Å; N148-S150 WeakPolarHBondContact OD1-CB 3.47Å; N148-S150 PolarHBondContact OD1-N 2.69Å
151V88.6Confident93.7Very high41 Ų4138.2 Ų38.225%0.24822%0.221CC..THydrogen-bonded Turntrans-103.6-44.8-179.2174.30000110.4N148 N234 F236N148-V151 HydrophobicContact CB-CB 4.33Å; N148-V151 HydrophobicContact CB-CG2 4.47Å; N148-V151 WeakPolarHBondContact ND2-CG2 3.42Å; N148-V151 PolarHBondContact O-N 3.37Å; V151-N234 WeakPolarHBondContact O-CB 3.44Å; V151-N234 PolarHBondContact O-ND2 2.71Å; V151-F236 HydrophobicContact CG1-CE2 4.3Å; V151-F236 HydrophobicContact CG1-CZ 4.12Å
152V93.1Very high93.6Very high8 Ų837.6 Ų37.65%0.04822%0.217CC..SBendtrans-85122.4179.7-173.60000109.6F127 L147 N148 E233F127-V152 HydrophobicContact CE1-CG1 4.1Å; F127-V152 HydrophobicContact CZ-CG1 4.32Å; L147-V152 HydrophobicContact CD1-CB 3.82Å; L147-V152 HydrophobicContact CD1-CG1 4Å; L147-V152 HydrophobicContact CD1-CG2 3.62Å; N148-V152 PolarHBondContact O-N 3.32Å; V152-E233 HydrophobicContact CG1-CB 4.28Å; V152-E233 HydrophobicContact CG2-CB 4.31Å; V152-E233 WeakPolarHBondContact CG2-OE2 3.14Å
153L94.9Very high93.2Very high25 Ų2540.1 Ų40.113%0.13124%0.235CC..PPolyproline II helixtrans-63.8145.4176-70.7176.5000111.2F127 D157 L158 L161 E233 N234F127-L153 WeakPolarHBondContact CE1-O 3.4Å; L153-D157 HydrophobicContact CB-CB 4.09Å; L153-D157 HydrophobicContact CD1-CB 4.47Å; L153-D157 HydrophobicContact CD2-CB 4.25Å; L153-L158 HydrophobicContact CB-CD2 3.83Å; L153-L158 HydrophobicContact CB-CG 3.81Å; L153-L158 HydrophobicContact CD1-CD2 4.44Å; L153-L158 WeakPolarHBondContact O-CD1 3.45Å; L153-L161 HydrophobicContact CD1-CB 4.35Å; L153-L161 HydrophobicContact CD1-CD2 3.79Å; L153-E233 PolarHBondContact N-O 2.84Å; L153-E233 VanDerWaalsContact N-O 3.1Å; L153-N234 HydrophobicContact CG-CB 4.29Å
154P94.8Very high92.8Very high59 Ų5944.7 Ų44.738%0.38326%0.256SS..PPolyproline II helixtrans-66.2162.6173.129.5-35.3000111.4Q156 D157 L158P154-Q156 VanDerWaalsContact C-N 3.33Å; P154-Q156 PolarHBondContact O-N 2.82Å; P154-D157 WeakPolarHBondContact CD-OD2 3.31Å; P154-D157 HydrophobicContact CG-CB 3.84Å; P154-D157 VanDerWaalsContact CG-CG 3.46Å; P154-D157 VanDerWaalsContact CG-OD2 3.31Å; P154-D157 WeakPolarHBondContact CG-OD2 3.42Å; P154-D157 PolarHBondContact O-N 2.98Å; P154-D157 VanDerWaalsContact O-N 3.13Å; P154-L158 PolarHBondContact O-N 2.92Å
155P94Very high92.5Very high14 Ų1445.1 Ų45.19%0.09126%0.259CS..Hα-helixtrans-53-41.4-173.9-3034.8000115.6I101 F127 L158 I159I101-P155 HydrophobicContact CG2-CB 4.19Å; F127-P155 HydrophobicContact CD1-CG 4.39Å; F127-P155 HydrophobicContact CD2-CG 3.57Å; F127-P155 HydrophobicContact CE1-CG 4.44Å; F127-P155 HydrophobicContact CE2-CG 3.63Å; F127-P155 HydrophobicContact CG-CG 3.97Å; F127-P155 HydrophobicContact CZ-CG 4.08Å; P155-L158 PolarHBondContact O-N 2.86Å; P155-I159 VanDerWaalsContact O-CG1 3.29Å; P155-I159 WeakPolarHBondContact O-CG1 3.45Å; P155-I159 PolarHBondContact O-N 3.45Å
156Q93.4Very high91.8Very high111 Ų11150.8 Ų50.852%0.51929%0.286SS..Hα-helixtrans-67.3-46179.8-61.4-59.8-33.300111.2P154 L158 I159 D160P154-Q156 VanDerWaalsContact C-N 3.33Å; P154-Q156 PolarHBondContact O-N 2.82Å; Q156-L158 VanDerWaalsContact C-N 3.29Å; Q156-L158 PolarHBondContact O-N 3.02Å; Q156-I159 WeakPolarHBondContact O-CB 3.48Å; Q156-I159 PolarHBondContact O-N 3.27Å; Q156-I159 VanDerWaalsContact O-N 3.1Å; Q156-D160 PolarHBondContact O-N 3.38Å
157D94.2Very high90.8Very high77 Ų7752.8 Ų52.841%0.41230%0.302SS..Hα-helixtrans-65.6-32.6177.4-62.29.6000112.1L153 P154 D160 L161L153-D157 HydrophobicContact CB-CB 4.09Å; L153-D157 HydrophobicContact CD1-CB 4.47Å; L153-D157 HydrophobicContact CD2-CB 4.25Å; P154-D157 WeakPolarHBondContact CD-OD2 3.31Å; P154-D157 HydrophobicContact CG-CB 3.84Å; P154-D157 VanDerWaalsContact CG-CG 3.46Å; P154-D157 VanDerWaalsContact CG-OD2 3.31Å; P154-D157 WeakPolarHBondContact CG-OD2 3.42Å; P154-D157 PolarHBondContact O-N 2.98Å; P154-D157 VanDerWaalsContact O-N 3.13Å; D157-D160 PolarHBondContact O-N 2.93Å; D157-L161 VanDerWaalsContact O-CB 3.31Å; D157-L161 WeakPolarHBondContact O-CB 3.37Å; D157-L161 PolarHBondContact O-N 2.81Å
158L93.1Very high89.9Confident5 Ų557.5 Ų57.53%0.02633%0.327CS..Hα-helixtrans-64.2-45.1170.8-76.1173.1000111I101 A106 F127 L153 P154 P155 Q156 D160 L161 F162I101-L158 HydrophobicContact CD1-CB 3.83Å; A106-L158 HydrophobicContact CB-CD1 4.12Å; F127-L158 HydrophobicContact CZ-CD1 3.94Å; L153-L158 HydrophobicContact CB-CD2 3.83Å; L153-L158 HydrophobicContact CB-CG 3.81Å; L153-L158 HydrophobicContact CD1-CD2 4.44Å; L153-L158 WeakPolarHBondContact O-CD1 3.45Å; P154-L158 PolarHBondContact O-N 2.92Å; P155-L158 PolarHBondContact O-N 2.86Å; Q156-L158 VanDerWaalsContact C-N 3.29Å; Q156-L158 PolarHBondContact O-N 3.02Å; L158-D160 VanDerWaalsContact C-N 3.3Å; L158-D160 PolarHBondContact O-N 3.03Å; L158-L161 PolarHBondContact O-N 3.44Å; L158-F162 HydrophobicContact CD2-CE2 4.47Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 3.32Å; L158-F162 PolarHBondContact O-N 3.1Å
159I92.4Very high88.7Confident20 Ų2058.7 Ų58.710%0.10334%0.339CS..Hα-helixtrans-58.9-44.5176.4-69.2163.4000110.5Y72 I101 P155 Q156 F162 S163Y72-I159 HydrophobicContact CE1-CG2 4.16Å; Y72-I159 HydrophobicContact CE2-CG1 4.18Å; I101-I159 HydrophobicContact CB-CG1 4.21Å; I101-I159 HydrophobicContact CD1-CG1 4Å; I101-I159 HydrophobicContact CG2-CD1 4.12Å; I101-I159 HydrophobicContact CG2-CG1 3.87Å; P155-I159 VanDerWaalsContact O-CG1 3.29Å; P155-I159 WeakPolarHBondContact O-CG1 3.45Å; P155-I159 PolarHBondContact O-N 3.45Å; Q156-I159 WeakPolarHBondContact O-CB 3.48Å; Q156-I159 PolarHBondContact O-N 3.27Å; Q156-I159 VanDerWaalsContact O-N 3.1Å; I159-F162 PolarHBondContact O-N 3.41Å; I159-S163 VanDerWaalsContact O-CB 3.3Å; I159-S163 WeakPolarHBondContact O-CB 3.45Å; I159-S163 PolarHBondContact O-N 3.41Å; I159-S163 PolarHBondContact O-OG 2.9Å
160D92.4Very high88.1Confident92 Ų9257.9 Ų57.949%0.49233%0.326SS..Hα-helixtrans-63.9-44.2178.1-73.4-14.4000111.7Q156 D157 L158 S163 Q164Q156-D160 PolarHBondContact O-N 3.38Å; D157-D160 PolarHBondContact O-N 2.93Å; L158-D160 VanDerWaalsContact C-N 3.3Å; L158-D160 PolarHBondContact O-N 3.03Å; D160-S163 PolarHBondContact O-N 3.24Å; D160-Q164 WeakPolarHBondContact O-CG 3.48Å; D160-Q164 PolarHBondContact O-N 3.29Å
161L92.1Very high87.9Confident4 Ų461.2 Ų61.22%0.02132%0.323CS..Hα-helixtrans-58.3-53.2176.1176.162.8000111M76 L153 D157 L158 S163 Q164 L165 K235M76-L161 HydrophobicContact CE-CD1 3.78Å; M76-L161 HydrophobicContact CE-CD2 4.05Å; M76-L161 HydrophobicContact CE-CG 4.25Å; L153-L161 HydrophobicContact CD1-CB 4.35Å; L153-L161 HydrophobicContact CD1-CD2 3.79Å; D157-L161 VanDerWaalsContact O-CB 3.31Å; D157-L161 WeakPolarHBondContact O-CB 3.37Å; D157-L161 PolarHBondContact O-N 2.81Å; L158-L161 PolarHBondContact O-N 3.44Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 3.46Å; L161-Q164 WeakPolarHBondContact O-CB 3.32Å; L161-Q164 PolarHBondContact O-N 2.98Å; L161-L165 HydrophobicContact CD1-CG 4.41Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.92Å; L161-K235 HydrophobicContact CD1-CG 4.02Å
162F91Very high87.9Confident1 Ų159.8 Ų59.80%0.00432%0.315CS..Hα-helixtrans-64.9-33-179.3-86.8-88.6000112.3Y72 V99 I101 L158 I159 Q164 L165 M166 F232Y72-F162 HydrophobicContact CD1-CB 4.02Å; Y72-F162 HydrophobicContact CG-CB 4.1Å; V99-F162 HydrophobicContact CB-CE1 4.23Å; V99-F162 HydrophobicContact CB-CE2 4.19Å; V99-F162 HydrophobicContact CB-CZ 3.93Å; V99-F162 HydrophobicContact CG2-CE1 3.65Å; V99-F162 HydrophobicContact CG2-CE2 3.76Å; V99-F162 HydrophobicContact CG2-CZ 3.15Å; I101-F162 HydrophobicContact CD1-CD2 4.19Å; L158-F162 HydrophobicContact CD2-CE2 4.47Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 3.32Å; L158-F162 PolarHBondContact O-N 3.1Å; I159-F162 PolarHBondContact O-N 3.41Å; F162-Q164 VanDerWaalsContact C-N 3.3Å; F162-Q164 PolarHBondContact O-N 2.97Å; F162-L165 HydrophobicContact CD1-CD1 4.31Å; F162-L165 HydrophobicContact CE1-CD1 4.44Å; F162-L165 PolarHBondContact O-N 3.41Å; F162-M166 WeakPolarHBondContact O-CG 3.32Å; F162-M166 PolarHBondContact O-N 3.42Å; F162-M166 VanDerWaalsContact O-N 3.13Å; F162-F232 AromaticContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CZ 4.09Å; F162-F232 HydrophobicContact CE2-CE2 4.16Å; F162-F232 HydrophobicContact CZ-CD2 4.07Å; F162-F232 AromaticContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CZ 4.11Å
163S89.6Confident87.7Confident52 Ų5265.4 Ų65.436%0.36434%0.336SS..Hα-helixtrans-62.9-37.7172.6-59.70000112.1I159 D160 L161I159-S163 VanDerWaalsContact O-CB 3.3Å; I159-S163 WeakPolarHBondContact O-CB 3.45Å; I159-S163 PolarHBondContact O-N 3.41Å; I159-S163 PolarHBondContact O-OG 2.9Å; D160-S163 PolarHBondContact O-N 3.24Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 3.46Å
164Q89.5Confident87.4Confident102 Ų10265.3 Ų65.348%0.47734%0.335SS..Hα-helixtrans-68.7-43.2174-69168.51500111.7D160 L161 F162 M166 S167 D168D160-Q164 WeakPolarHBondContact O-CG 3.48Å; D160-Q164 PolarHBondContact O-N 3.29Å; L161-Q164 WeakPolarHBondContact O-CB 3.32Å; L161-Q164 PolarHBondContact O-N 2.98Å; F162-Q164 VanDerWaalsContact C-N 3.3Å; F162-Q164 PolarHBondContact O-N 2.97Å; Q164-M166 PolarHBondContact O-N 3.37Å; Q164-S167 PolarHBondContact O-N 3.48Å; Q164-S167 PolarHBondContact O-OG 3.03Å; Q164-D168 PolarHBondContact O-N 2.86Å
165L89.6Confident87.2Confident12 Ų1264.8 Ų64.86%0.06333%0.331CS..Hα-helixtrans-62.7-26.1179.4-66.2174.7000113.8M76 L161 F162 S167 Y170 F232M76-L165 HydrophobicContact CE-CD1 3.9Å; M76-L165 HydrophobicContact CE-CD2 3.77Å; M76-L165 HydrophobicContact CE-CG 4.3Å; M76-L165 HydrophobicContact CG-CD1 4.28Å; M76-L165 HydrophobicContact CG-CD2 3.75Å; L161-L165 HydrophobicContact CD1-CG 4.41Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.92Å; F162-L165 HydrophobicContact CD1-CD1 4.31Å; F162-L165 HydrophobicContact CE1-CD1 4.44Å; F162-L165 PolarHBondContact O-N 3.41Å; L165-S167 PolarHBondContact O-N 2.91Å; L165-Y170 HydrophobicContact CD2-CG 4.11Å; L165-F232 HydrophobicContact CD1-CD2 4.22Å; L165-F232 HydrophobicContact CD1-CE2 3.5Å; L165-F232 HydrophobicContact CD1-CZ 4.17Å
166M81.6Confident87Confident122 Ų12269.3 Ų69.360%0.60135%0.346SS*.THydrogen-bonded Turntrans-68-24174.2-74.4-167.3-71.200112.9F162 Q164F162-M166 WeakPolarHBondContact O-CG 3.32Å; F162-M166 PolarHBondContact O-N 3.42Å; F162-M166 VanDerWaalsContact O-N 3.13Å; Q164-M166 PolarHBondContact O-N 3.37Å
167S77.5Confident86.8Confident102 Ų10265.5 Ų65.571%0.71333%0.328SS*.THydrogen-bonded Turntrans-101.3-28.5-174.466.40000114.1Q164 L165Q164-S167 PolarHBondContact O-N 3.48Å; Q164-S167 PolarHBondContact O-OG 3.03Å; L165-S167 PolarHBondContact O-N 2.91Å
168D74.1Confident86.7Confident115 Ų11564.6 Ų64.662%0.61532%0.324SS*.SBendtrans-141.9152.4-171.1-1616.7000112.5Q164 Y170Q164-D168 PolarHBondContact O-N 2.86Å; D168-Y170 PolarHBondContact O-N 3.05Å
169S68.9Low86.6Confident72 Ų7264.4 Ų64.450%0.50332%0.322SS..  trans-80.7107.5173.962.80000110.2
170Y78.1Confident86.6Confident78 Ų7864 Ų6431%0.30632%0.321SS..EExtended strand (participates in β ladder)trans-83.4125.7179.9-159.3-91000111.3M76 Q77 L165 D168 K235M76-Y170 HydrophobicContact CE-CD1 3.9Å; M76-Y170 HydrophobicContact CE-CE1 4.41Å; M76-Y170 HydrophobicContact CE-CG 4.33Å; M76-Y170 HydrophobicContact SD-CD1 4.14Å; Q77-Y170 PolarHBondContact N-O 3.37Å; L165-Y170 HydrophobicContact CD2-CG 4.11Å; D168-Y170 PolarHBondContact O-N 3.05Å; Y170-K235 HydrophobicContact CE1-CB 4.09Å; Y170-K235 VanDerWaalsContact CE1-O 3.28Å; Y170-K235 WeakPolarHBondContact CE1-O 3.4Å
171R83.6Confident86.7Confident174 Ų17460.3 Ų60.366%0.65730%0.302SS*.EExtended strand (participates in β ladder)trans-101.6123174.5-65.617680.8167.74.7109.5Q77 L92Q77-R171 HydrophobicContact CB-CG 4.42Å; Q77-R171 CarbonylContact O-C 3.6Å; Q77-R171 WeakPolarHBondContact O-CA 3.01Å; L92-R171 HydrophobicContact CD1-CG 4.34Å; L92-R171 VanDerWaalsContact CD1-NE 3.26Å
172S88.4Confident86.7Confident11 Ų1162.9 Ų62.98%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-132.8-169.9-176.969.70000112Q77 F78 T79 K235Q77-S172 PolarHBondContact O-N 2.87Å; Q77-S172 PolarHBondContact O-OG 3.44Å; F78-S172 CarbonylContact C-O 3.56Å; F78-S172 WeakPolarHBondContact CA-O 3.41Å; T79-S172 PolarHBondContact N-O 2.85Å; T79-S172 PolarHBondContact OG1-O 3.19Å; S172-K235 VanDerWaalsContact CB-O 3.29Å; S172-K235 WeakPolarHBondContact CB-O 3.06Å
173Y88.8Confident86.8Confident125 Ų12567.8 Ų67.849%0.4934%0.34SS..EExtended strand (participates in β ladder)trans-118.6162.2176.657.4-85.6000110.3V175 F236 V237Y173-V175 HydrophobicContact CD2-CG2 3.75Å; Y173-V175 HydrophobicContact CE2-CG2 3.36Å; Y173-F236 HydrophobicContact CD1-CB 4.42Å; Y173-F236 HydrophobicContact CD2-CB 4.35Å; Y173-F236 HydrophobicContact CE1-CB 4.13Å; Y173-F236 HydrophobicContact CE2-CB 4.08Å; Y173-F236 HydrophobicContact CE2-CD1 4.5Å; Y173-F236 HydrophobicContact CE2-CG 4.25Å; Y173-V237 PolarHBondContact O-N 3.36Å
174L88.9Confident87.1Confident24 Ų2472 Ų7213%0.12635%0.348CS..EExtended strand (participates in β ladder)trans-87.7127.7175.2-172.166.1000111.5F78 T79 D80 V237 E239F78-L174 HydrophobicContact CD2-CB 3.86Å; F78-L174 HydrophobicContact CD2-CD1 4.13Å; F78-L174 HydrophobicContact CD2-CG 4.46Å; F78-L174 HydrophobicContact CE2-CB 4.16Å; F78-L174 HydrophobicContact CE2-CD1 3.89Å; F78-L174 HydrophobicContact CE2-CD2 4.2Å; F78-L174 HydrophobicContact CE2-CG 4.31Å; F78-L174 HydrophobicContact CZ-CD1 4.47Å; T79-L174 PolarHBondContact O-N 3.48Å; T79-L174 VanDerWaalsContact O-N 3.12Å; D80-L174 HydrophobicContact CB-CD2 4.15Å; L174-V237 CarbonylContact C-O 3.49Å; L174-V237 WeakPolarHBondContact CA-O 3.31Å; L174-V237 HydrophobicContact CD1-CB 4.3Å; L174-V237 HydrophobicContact CD1-CG1 3.86Å; L174-E239 HydrophobicContact CD1-CB 3.9Å; L174-E239 HydrophobicContact CG-CB 4.49Å
175V90Very high87.4Confident48 Ų4868.3 Ų68.329%0.29133%0.332SS..EExtended strand (participates in β ladder)trans-107.9137.3167.5178.60000108.7Y173 F236 V237 T238 E239Y173-V175 HydrophobicContact CD2-CG2 3.75Å; Y173-V175 HydrophobicContact CE2-CG2 3.36Å; V175-F236 HydrophobicContact CB-CD2 3.88Å; V175-F236 HydrophobicContact CB-CE2 4.03Å; V175-F236 HydrophobicContact CG1-CE2 4.41Å; V175-F236 HydrophobicContact CG2-CB 4.45Å; V175-F236 HydrophobicContact CG2-CD2 3.44Å; V175-F236 VanDerWaalsContact CG2-CD2 3.44Å; V175-F236 HydrophobicContact CG2-CE2 3.78Å; V175-F236 HydrophobicContact CG2-CG 3.97Å; V175-V237 PolarHBondContact N-O 3.04Å; V175-T238 CarbonylContact O-C 3.55Å; V175-T238 VanDerWaalsContact O-CA 3.3Å; V175-T238 WeakPolarHBondContact O-CA 3.31Å; V175-E239 PolarHBondContact O-N 2.94Å
176R89.8Confident87.7Confident109 Ų10976.7 Ų76.741%0.41137%0.37SS..EExtended strand (participates in β ladder)trans-108.5135.5175.9-63-167-175.49710.5110.9D80 S82 E239D80-R176 IonicContact OD1-CZ 3.76Å; D80-R176 IonicContact OD1-NH2 3.36Å; D80-R176 PolarHBondContact OD1-NH2 3.28Å; D80-R176 IonicContact OD2-NH2 2.99Å; D80-R176 PolarHBondContact OD2-NH2 2.87Å; S82-R176 PolarHBondContact OG-NH1 3.14Å; R176-E239 WeakPolarHBondContact CA-O 3.29Å; R176-E239 VanDerWaalsContact CD-OE2 3.29Å; R176-E239 WeakPolarHBondContact CD-OE2 3.44Å; R176-E239 HydrophobicContact CG-CB 4.34Å; R176-E239 IonicContact NE-OE2 2.9Å; R176-E239 PolarHBondContact NE-OE2 2.93Å
177E90Very high88.3Confident30 Ų3074.9 Ų74.914%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-121.9121.7173.2-172.3175.9-148.400109.8L179 R209 T238 E239 T240 R241E177-L179 HydrophobicContact CG-CD2 3.84Å; E177-L179 HydrophobicContact CG-CG 4.21Å; E177-R209 IonicContact OE1-CZ 3.84Å; E177-R209 VanDerWaalsContact OE1-CZ 3.25Å; E177-R209 IonicContact OE1-NE 3.13Å; E177-R209 PolarHBondContact OE1-NE 3.28Å; E177-R209 IonicContact OE1-NH2 3.58Å; E177-R209 PolarHBondContact OE1-NH2 2.91Å; E177-T238 HydrophobicContact CB-CG2 4.42Å; E177-E239 PolarHBondContact N-O 3.35Å; E177-T240 WeakPolarHBondContact O-CA 3.24Å; E177-R241 PolarHBondContact O-N 2.77Å
178D91.1Very high89.2Confident59 Ų5970.7 Ų70.732%0.31633%0.334SS..EExtended strand (participates in β ladder)trans-98116.6176.3-71.5-38.6000110.5R210D178-R210 HydrophobicContact CB-CB 4Å; D178-R210 PolarHBondContact O-N 2.84Å
179L91.8Very high90.2Very high0 Ų072 Ų720%033%0.334CS..EExtended strand (participates in β ladder)trans-113.1145.3178.4-58.4-173.9000110.8I145 E177 M207 Q208 R209 T240 R241 I242 C243I145-L179 HydrophobicContact CD1-CD1 3.89Å; I145-L179 HydrophobicContact CD1-CD2 3.41Å; I145-L179 VanDerWaalsContact CD1-CD2 3.41Å; I145-L179 HydrophobicContact CD1-CG 4.28Å; E177-L179 HydrophobicContact CG-CD2 3.84Å; E177-L179 HydrophobicContact CG-CG 4.21Å; L179-M207 HydrophobicContact CB-SD 4.22Å; L179-M207 HydrophobicContact CD1-CE 3.87Å; L179-M207 HydrophobicContact CD1-SD 4.16Å; L179-Q208 WeakPolarHBondContact CA-O 3.3Å; L179-R209 HydrophobicContact CD2-CB 4.38Å; L179-R209 HydrophobicContact CD2-CG 3.74Å; L179-T240 HydrophobicContact CD1-CG2 3.48Å; L179-T240 VanDerWaalsContact CD1-CG2 3.48Å; L179-T240 HydrophobicContact CG-CG2 3.94Å; L179-R241 PolarHBondContact N-O 2.98Å; L179-I242 HydrophobicContact CB-CG1 4.01Å; L179-I242 HydrophobicContact CD1-CG1 4.12Å; L179-C243 PolarHBondContact O-N 3.46Å
180V92.4Very high91.5Very high13 Ų1372.8 Ų72.88%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-124.6130.3178.7-178.50000108.8M207 Q208 R210 L213 C243 A245V180-M207 VanDerWaalsContact O-CA 3.3Å; V180-M207 WeakPolarHBondContact O-CA 3.33Å; V180-Q208 PolarHBondContact N-O 2.85Å; V180-Q208 PolarHBondContact O-N 3.3Å; V180-R210 HydrophobicContact CG2-CB 4.01Å; V180-R210 HydrophobicContact CG2-CG 4.2Å; V180-L213 HydrophobicContact CB-CD1 3.8Å; V180-L213 HydrophobicContact CG1-CD1 4.05Å; V180-L213 HydrophobicContact CG2-CD1 4.04Å; V180-C243 WeakPolarHBondContact CA-O 3.22Å; V180-A245 HydrophobicContact CG1-CB 3.9Å
181V93.8Very high92.3Very high14 Ų1470.3 Ų70.39%0.08533%0.329CS..EExtended strand (participates in β ladder)trans-70.1134175.7-178.10000109.4F143 Y205 M207 I242 C243 A245F143-V181 HydrophobicContact CD1-CG2 3.89Å; F143-V181 HydrophobicContact CE1-CG2 3.75Å; V181-Y205 HydrophobicContact CG1-CD1 4.21Å; V181-Y205 HydrophobicContact CG1-CG 4.04Å; V181-M207 HydrophobicContact CG2-CG 4.32Å; V181-I242 HydrophobicContact CG2-CG2 3.77Å; V181-C243 PolarHBondContact N-O 3.4Å; V181-A245 VanDerWaalsContact O-CB 3.24Å; V181-A245 WeakPolarHBondContact O-CB 3.42Å
182T91.8Very high92.8Very high57 Ų5762.3 Ų62.335%0.3530%0.301SS..EExtended strand (participates in β ladder)trans-116.7-89.9-17658.60000112.5R206 Q208T182-R206 PolarHBondContact N-O 2.93Å; T182-R206 PolarHBondContact OG1-O 3.45Å; T182-Q208 HydrophobicContact CG2-CB 4.17Å; T182-Q208 HydrophobicContact CG2-CG 3.91Å
183E93.4Very high93.1Very high104 Ų10468.5 Ų68.549%0.48633%0.326SS..EExtended strand (participates in β ladder)trans-102.7149.9-173.357.7-178.6-174.400111.5Y205 R206E183-Y205 CarbonylContact O-C 3.58Å; E183-Y205 WeakPolarHBondContact O-CA 3.33Å; E183-R206 HydrophobicContact CG-CB 3.53Å; E183-R206 HydrophobicContact CG-CG 4.37Å; E183-R206 PolarHBondContact O-N 3.31Å; E183-R206 WeakPolarHBondContact OE1-CD 3.16Å; E183-R206 IonicContact OE1-NE 2.93Å; E183-R206 IonicContact OE1-NH1 2.69Å
184R95.6Very high93.4Very high141 Ų14166.5 Ų66.553%0.53232%0.318SS..EExtended strand (participates in β ladder)trans-80139.1169.3-170.7179.5-174.3156.313.8109.5E203 Y205R184-E203 IonicContact CZ-OE1 3.65Å; R184-E203 IonicContact NH1-OE1 2.9Å; R184-E203 IonicContact NH2-OE1 2.86Å; R184-E203 PolarHBondContact NH2-OE1 3.38Å; R184-Y205 HydrophobicContact CB-CD1 3.86Å; R184-Y205 HydrophobicContact CB-CE1 3.81Å; R184-Y205 HydrophobicContact CG-CD1 4.08Å; R184-Y205 HydrophobicContact CG-CE1 3.79Å
185I96.6Very high93.8Very high24 Ų2465.3 Ų65.312%0.12331%0.312CS..PPolyproline II helixtrans-102.9116.5174-58.1176.6000107.9V144 D187 V188 L191 T204 R206V144-I185 HydrophobicContact CB-CD1 4.17Å; V144-I185 HydrophobicContact CG2-CD1 4.19Å; I185-D187 WeakPolarHBondContact CG2-O 3.3Å; I185-V188 HydrophobicContact CG2-CG1 4.4Å; I185-L191 HydrophobicContact CD1-CD1 4.22Å; I185-L191 HydrophobicContact CG2-CD1 4.35Å; I185-T204 HydrophobicContact CB-CG2 4.14Å; I185-T204 HydrophobicContact CD1-CG2 4.23Å; I185-T204 PolarHBondContact N-O 2.94Å; I185-R206 HydrophobicContact CD1-CB 4.2Å; I185-R206 HydrophobicContact CG1-CB 4.43Å
186E94.6Very high94.1Very high188 Ų18865.4 Ų65.488%0.87931%0.31SS*.SBendtrans-81.9-45.8179.1-63.1-175.1176.100112.2
187D95.2Very high94.4Very high85 Ų8569.3 Ų69.346%0.45532%0.324SS..  trans-106112.3177.9-171.811.1000111.2I185 K189 P190I185-D187 WeakPolarHBondContact CG2-O 3.3Å; D187-K189 VanDerWaalsContact OD1-CB 3.3Å; D187-K189 WeakPolarHBondContact OD1-CB 3.29Å; D187-K189 WeakPolarHBondContact OD1-CG 3.45Å; D187-K189 PolarHBondContact OD1-N 3.04Å; D187-P190 WeakPolarHBondContact O-CD 3.23Å
188V96.1Very high94.7Very high14 Ų1469.8 Ų69.89%0.08533%0.328CS..  trans-87.6-13.1178.4-66.20000113.2I185 P190 L191 T204I185-V188 HydrophobicContact CG2-CG1 4.4Å; V188-P190 VanDerWaalsContact C-CD 3.45Å; V188-L191 HydrophobicContact CB-CD1 4.32Å; V188-L191 HydrophobicContact CG1-CD1 4.32Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-N 3.13Å; V188-T204 HydrophobicContact CG1-CG2 3.95Å; V188-T204 WeakPolarHBondContact CG1-OG1 3.29Å
189K95.1Very high95Very high142 Ų14267 Ų6762%0.61731%0.313SS*.G310 helixtrans-57.5-41.7-178.8-65168.7-176172.70113.5D187 L191 G192 H196D187-K189 VanDerWaalsContact OD1-CB 3.3Å; D187-K189 WeakPolarHBondContact OD1-CB 3.29Å; D187-K189 WeakPolarHBondContact OD1-CG 3.45Å; D187-K189 PolarHBondContact OD1-N 3.04Å; K189-L191 PolarHBondContact O-N 3.33Å; K189-G192 PolarHBondContact O-N 2.9Å; K189-H196 WeakPolarHBondContact CG-CD2 3.39Å
190P95.6Very high95.2Very high89 Ų8972 Ų7258%0.57834%0.339SS*.G310 helixtrans-66.5-18.5-179.4-20.934.5000113.6D187 V188 G192D187-P190 WeakPolarHBondContact O-CD 3.23Å; V188-P190 VanDerWaalsContact C-CD 3.45Å; P190-G192 VanDerWaalsContact C-N 3.25Å; P190-G192 PolarHBondContact O-N 3.36Å
191L95.1Very high95.3Very high25 Ų2575.2 Ų75.213%0.13138%0.375CS..G310 helixtrans-70.6-23.8-178.2-56.8-179.2000112.4L131 V144 I185 V188 K189 I195L131-L191 HydrophobicContact CD1-CB 4.44Å; L131-L191 HydrophobicContact CD1-CD2 4.31Å; V144-L191 HydrophobicContact CG1-CD1 4.49Å; V144-L191 HydrophobicContact CG2-CD1 4.07Å; I185-L191 HydrophobicContact CD1-CD1 4.22Å; I185-L191 HydrophobicContact CG2-CD1 4.35Å; V188-L191 HydrophobicContact CB-CD1 4.32Å; V188-L191 HydrophobicContact CG1-CD1 4.32Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-N 3.13Å; K189-L191 PolarHBondContact O-N 3.33Å; L191-I195 HydrophobicContact CB-CB 4.04Å; L191-I195 HydrophobicContact CB-CD1 4.1Å; L191-I195 HydrophobicContact CB-CG2 3.7Å; L191-I195 HydrophobicContact CD1-CG2 3.8Å; L191-I195 HydrophobicContact CG-CG2 4.43Å
192G95.2Very high95.4Very high6 Ų677.3 Ų77.36%0.06238%0.383CS..  trans127.1164.5177.100000112.9K189 P190 Y194 I195 H196K189-G192 PolarHBondContact O-N 2.9Å; P190-G192 VanDerWaalsContact C-N 3.25Å; P190-G192 PolarHBondContact O-N 3.36Å; G192-Y194 PolarHBondContact O-N 2.9Å; G192-I195 PolarHBondContact O-N 3.01Å; G192-H196 VanDerWaalsContact O-CB 3.26Å; G192-H196 WeakPolarHBondContact O-CB 3.45Å; G192-H196 PolarHBondContact O-N 3.48Å
193F95Very high95.6Very high141 Ų14178.6 Ų78.662%0.61839%0.385SS*.Hα-helixtrans-60.9-46.1-174.6175.1-99.2000112.9R197F193-R197 WeakPolarHBondContact O-CB 3.22Å; F193-R197 PolarHBondContact O-N 3.31Å
194Y95.3Very high95.8Very high83 Ų8373.7 Ų73.733%0.32536%0.362SS..Hα-helixtrans-66.2-44.4-178.2-59.2-62.5000111.7M105 G192 R197 L198M105-Y194 HydrophobicContact CB-CD2 4.34Å; M105-Y194 HydrophobicContact CB-CE2 4.35Å; M105-Y194 HydrophobicContact CG-CE1 4.34Å; M105-Y194 HydrophobicContact CG-CE2 4.42Å; G192-Y194 PolarHBondContact O-N 2.9Å; Y194-R197 PolarHBondContact O-N 2.96Å; Y194-L198 PolarHBondContact O-N 3.46Å; Y194-L198 VanDerWaalsContact O-N 3.09Å
195I96.7Very high95.8Very high0 Ų069.5 Ų69.50%035%0.347CS..Hα-helixtrans-65.4-47.7179.1-62.2179000110.7L124 D126 L131 V133 L191 G192 R197 L198 C199L124-I195 HydrophobicContact CD2-CG1 3.94Å; D126-I195 HydrophobicContact CB-CD1 4.46Å; L131-I195 HydrophobicContact CB-CD1 3.75Å; L131-I195 HydrophobicContact CD1-CD1 3.68Å; L131-I195 HydrophobicContact CG-CD1 4.37Å; V133-I195 HydrophobicContact CG2-CB 4.29Å; V133-I195 HydrophobicContact CG2-CD1 3.63Å; V133-I195 HydrophobicContact CG2-CG1 3.64Å; V133-I195 HydrophobicContact CG2-CG2 3.82Å; L191-I195 HydrophobicContact CB-CB 4.04Å; L191-I195 HydrophobicContact CB-CD1 4.1Å; L191-I195 HydrophobicContact CB-CG2 3.7Å; L191-I195 HydrophobicContact CD1-CG2 3.8Å; L191-I195 HydrophobicContact CG-CG2 4.43Å; G192-I195 PolarHBondContact O-N 3.01Å; I195-R197 VanDerWaalsContact C-N 3.31Å; I195-R197 PolarHBondContact O-N 3.13Å; I195-L198 PolarHBondContact O-N 2.97Å; I195-L198 VanDerWaalsContact O-N 3.14Å; I195-C199 WeakPolarHBondContact O-CB 3.31Å; I195-C199 PolarHBondContact O-N 3.07Å
196H96.8Very high95.8Very high50 Ų5072.3 Ų72.323%0.23136%0.356CS..Hα-helixtrans-55-49174.7176.2-83.3000110.7K189 G192 L198 C199 D200K189-H196 WeakPolarHBondContact CG-CD2 3.39Å; G192-H196 VanDerWaalsContact O-CB 3.26Å; G192-H196 WeakPolarHBondContact O-CB 3.45Å; G192-H196 PolarHBondContact O-N 3.48Å; H196-L198 VanDerWaalsContact C-N 3.25Å; H196-L198 PolarHBondContact O-N 2.71Å; H196-C199 PolarHBondContact O-N 3.48Å; H196-D200 WeakPolarHBondContact O-CB 3.35Å; H196-D200 PolarHBondContact O-N 2.88Å
197R95.7Very high95.8Very high191 Ų19163.3 Ų63.372%0.72131%0.314SS*.Hα-helixtrans-59.3-34.5179.6-175.8176.6179.3172.21.4113.3F193 Y194 I195F193-R197 WeakPolarHBondContact O-CB 3.22Å; F193-R197 PolarHBondContact O-N 3.31Å; Y194-R197 PolarHBondContact O-N 2.96Å; I195-R197 VanDerWaalsContact C-N 3.31Å; I195-R197 PolarHBondContact O-N 3.13Å
198L96Very high95.7Very high40 Ų4063 Ų6321%0.20931%0.31CS..Hα-helixtrans-78.7-38.4179.8-174.563.1000112.6L124 V133 L135 Y194 I195 H196 K202L124-L198 HydrophobicContact CB-CD2 3.72Å; L124-L198 HydrophobicContact CD2-CB 4.4Å; L124-L198 HydrophobicContact CD2-CD2 3.99Å; V133-L198 HydrophobicContact CG1-CD2 4.34Å; L135-L198 HydrophobicContact CB-CD2 4.34Å; L135-L198 HydrophobicContact CB-CG 4.44Å; L135-L198 HydrophobicContact CD2-CD1 3.65Å; L135-L198 HydrophobicContact CD2-CG 4.03Å; Y194-L198 PolarHBondContact O-N 3.46Å; Y194-L198 VanDerWaalsContact O-N 3.09Å; I195-L198 PolarHBondContact O-N 2.97Å; I195-L198 VanDerWaalsContact O-N 3.14Å; H196-L198 VanDerWaalsContact C-N 3.25Å; H196-L198 PolarHBondContact O-N 2.71Å; L198-K202 WeakPolarHBondContact O-CE 3.31Å
199C97.2Very high95.5Very high0 Ų064.6 Ų64.60%031%0.314CS..Hα-helixtrans-106.4-3.7-168.7-62.30000115.1V133 C142 I195 H196 G201 K202V133-C199 VanDerWaalsContact CG1-SG 3.55Å; C142-C199 HydrophobicContact CB-CB 3.76Å; C142-C199 WeakPolarHBondContact CB-SG 3.31Å; C142-C199 WeakPolarHBondContact SG-CA 3.28Å; C142-C199 WeakPolarHBondContact SG-CB 3.29Å; C142-C199 CovalentContact SG-SG 2.04Å; C142-C199 PolarHBondContact SG-SG 3.34Å; I195-C199 WeakPolarHBondContact O-CB 3.31Å; I195-C199 PolarHBondContact O-N 3.07Å; H196-C199 PolarHBondContact O-N 3.48Å; C199-G201 PolarHBondContact O-N 2.75Å; C199-K202 WeakPolarHBondContact O-CB 3.44Å; C199-K202 PolarHBondContact O-N 3.45Å
200D96.1Very high95.1Very high104 Ų10459.8 Ų59.856%0.55629%0.292SS*.THydrogen-bonded Turntrans-56.5133.8176.5-171.633.5000111.1H196 K202H196-D200 WeakPolarHBondContact O-CB 3.35Å; H196-D200 PolarHBondContact O-N 2.88Å; D200-K202 VanDerWaalsContact C-N 3.26Å; D200-K202 PolarHBondContact O-N 2.89Å
201G94.6Very high94.6Very high81 Ų8159.8 Ų59.884%0.83529%0.294SS*.THydrogen-bonded Turntrans68.913-174.500000115.9C199C199-G201 PolarHBondContact O-N 2.75Å
202K95.9Very high94.2Very high58 Ų5863.9 Ų63.925%0.25232%0.316SS..SBendtrans-115.9153.5176.8-55.8-175.6-161.4-59.30111.5L135 R140 L198 C199 D200 T204L135-K202 HydrophobicContact CD1-CD 3.45Å; L135-K202 VanDerWaalsContact CD1-CD 3.45Å; L135-K202 HydrophobicContact CD2-CD 4.32Å; R140-K202 WeakPolarHBondContact O-CB 3.47Å; L198-K202 WeakPolarHBondContact O-CE 3.31Å; C199-K202 WeakPolarHBondContact O-CB 3.44Å; C199-K202 PolarHBondContact O-N 3.45Å; D200-K202 VanDerWaalsContact C-N 3.26Å; D200-K202 PolarHBondContact O-N 2.89Å; K202-T204 PolarHBondContact O-N 2.96Å; K202-T204 PolarHBondContact O-OG1 2.81Å
203E96.2Very high93.6Very high84 Ų8465.8 Ų65.839%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-64132.8168.4-57.9-152.7138.600109.3T141 C142 R184 Y205T141-E203 CarbonylContact C-O 3.53Å; T141-E203 WeakPolarHBondContact CA-O 3.37Å; T141-E203 HydrophobicContact CG2-CB 4.16Å; T141-E203 WeakPolarHBondContact CG2-O 3.43Å; C142-E203 PolarHBondContact N-O 3.36Å; R184-E203 IonicContact CZ-OE1 3.65Å; R184-E203 IonicContact NH1-OE1 2.9Å; R184-E203 IonicContact NH2-OE1 2.86Å; R184-E203 PolarHBondContact NH2-OE1 3.38Å; E203-Y205 HydrophobicContact CB-CD2 4.5Å; E203-Y205 HydrophobicContact CB-CE2 3.68Å; E203-Y205 PolarHBondContact OE2-OH 3.31Å
204T97.1Very high92.8Very high1 Ų165.5 Ų65.51%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-126.4129-178.7-56.40000109.6C142 V144 I185 V188 K202C142-T204 HydrophobicContact CB-CG2 3.97Å; C142-T204 CarbonylContact O-C 3.52Å; C142-T204 VanDerWaalsContact O-CA 3.28Å; C142-T204 WeakPolarHBondContact O-CA 3.5Å; V144-T204 HydrophobicContact CG2-CG2 3.62Å; I185-T204 HydrophobicContact CB-CG2 4.14Å; I185-T204 HydrophobicContact CD1-CG2 4.23Å; I185-T204 PolarHBondContact N-O 2.94Å; V188-T204 HydrophobicContact CG1-CG2 3.95Å; V188-T204 WeakPolarHBondContact CG1-OG1 3.29Å; K202-T204 PolarHBondContact O-N 2.96Å; K202-T204 PolarHBondContact O-OG1 2.81Å
205Y96.8Very high91.6Very high53 Ų5363.7 Ų63.721%0.20834%0.344CS..EExtended strand (participates in β ladder)trans-126.7151.1178.6-59.5-89.9000110.6T141 C142 F143 V144 V181 E183 R184 E203T141-Y205 HydrophobicContact CG2-CD2 3.45Å; T141-Y205 VanDerWaalsContact CG2-CD2 3.45Å; T141-Y205 HydrophobicContact CG2-CE2 3.62Å; C142-Y205 PolarHBondContact O-N 2.91Å; F143-Y205 CarbonylContact C-O 3.58Å; F143-Y205 VanDerWaalsContact CA-O 3.3Å; F143-Y205 WeakPolarHBondContact CA-O 3.41Å; F143-Y205 HydrophobicContact CE1-CD2 4.2Å; V144-Y205 PolarHBondContact N-O 3.44Å; V181-Y205 HydrophobicContact CG1-CD1 4.21Å; V181-Y205 HydrophobicContact CG1-CG 4.04Å; E183-Y205 CarbonylContact O-C 3.58Å; E183-Y205 WeakPolarHBondContact O-CA 3.33Å; R184-Y205 HydrophobicContact CB-CD1 3.86Å; R184-Y205 HydrophobicContact CB-CE1 3.81Å; R184-Y205 HydrophobicContact CG-CD1 4.08Å; R184-Y205 HydrophobicContact CG-CE1 3.79Å; E203-Y205 HydrophobicContact CB-CD2 4.5Å; E203-Y205 HydrophobicContact CB-CE2 3.68Å; E203-Y205 PolarHBondContact OE2-OH 3.31Å
206R96.2Very high90Very high83 Ų8364.5 Ų64.531%0.31335%0.352SS..EExtended strand (participates in β ladder)trans-85.7150.5169.5-160.7171.3-165.2123.26.7109.9V144 T182 E183 I185V144-R206 CarbonylContact O-C 3.53Å; V144-R206 WeakPolarHBondContact O-CA 3.49Å; T182-R206 PolarHBondContact N-O 2.93Å; T182-R206 PolarHBondContact OG1-O 3.45Å; E183-R206 HydrophobicContact CG-CB 3.53Å; E183-R206 HydrophobicContact CG-CG 4.37Å; E183-R206 PolarHBondContact O-N 3.31Å; E183-R206 WeakPolarHBondContact OE1-CD 3.16Å; E183-R206 IonicContact OE1-NE 2.93Å; E183-R206 IonicContact OE1-NH1 2.69Å; I185-R206 HydrophobicContact CD1-CB 4.2Å; I185-R206 HydrophobicContact CG1-CB 4.43Å
207M94.4Very high88.5Confident0 Ų069.8 Ų69.80%038%0.382CS..EExtended strand (participates in β ladder)trans-126156.6172.9-60.9-174.4-67.300111.2Y134 F143 V144 I145 L179 V180 V181 I242Y134-M207 HydrophobicContact CD2-CE 3.66Å; Y134-M207 HydrophobicContact CE2-CE 4.29Å; Y134-M207 HydrophobicContact CG-CE 4.41Å; F143-M207 HydrophobicContact CB-CE 3.27Å; F143-M207 HydrophobicContact CB-CG 3.87Å; F143-M207 HydrophobicContact CB-SD 3.41Å; F143-M207 WeakPolarHBondContact CB-SD 3.43Å; F143-M207 HydrophobicContact CD1-CG 4.24Å; F143-M207 HydrophobicContact CD1-SD 4.12Å; F143-M207 HydrophobicContact CG-CE 4.38Å; F143-M207 HydrophobicContact CG-CG 4.49Å; F143-M207 HydrophobicContact CG-SD 3.98Å; V144-M207 PolarHBondContact O-N 2.91Å; I145-M207 HydrophobicContact CB-CB 4.42Å; I145-M207 HydrophobicContact CB-CE 4.33Å; I145-M207 HydrophobicContact CG2-CE 4.39Å; L179-M207 HydrophobicContact CB-SD 4.22Å; L179-M207 HydrophobicContact CD1-CE 3.87Å; L179-M207 HydrophobicContact CD1-SD 4.16Å; V180-M207 VanDerWaalsContact O-CA 3.3Å; V180-M207 WeakPolarHBondContact O-CA 3.33Å; V181-M207 HydrophobicContact CG2-CG 4.32Å; M207-I242 HydrophobicContact CE-CD1 3.99Å; M207-I242 HydrophobicContact CE-CG1 4.44Å; M207-I242 HydrophobicContact SD-CB 4.2Å; M207-I242 HydrophobicContact SD-CD1 3.72Å; M207-I242 HydrophobicContact SD-CG1 3.71Å; M207-I242 HydrophobicContact SD-CG2 3.4Å; M207-I242 WeakPolarHBondContact SD-CG2 3.34Å
208Q92.9Very high87Confident77 Ų7766.9 Ų66.936%0.3638%0.379SS..EExtended strand (participates in β ladder)trans-133.1153.4169.7-63.4-172.77.300110.3L179 V180 T182 R210 L213L179-Q208 WeakPolarHBondContact CA-O 3.3Å; V180-Q208 PolarHBondContact N-O 2.85Å; V180-Q208 PolarHBondContact O-N 3.3Å; T182-Q208 HydrophobicContact CG2-CB 4.17Å; T182-Q208 HydrophobicContact CG2-CG 3.91Å; Q208-R210 PolarHBondContact O-N 3.5Å; Q208-L213 HydrophobicContact CB-CD2 4.33Å; Q208-L213 VanDerWaalsContact OE1-CD2 3.28Å
209R91.2Very high85.4Confident49 Ų4972.3 Ų72.319%0.18540%0.404CS..EExtended strand (participates in β ladder)trans-65.4134.1171.6-68.2179.2176.78225.3109.3I145 E177 L179 S211 N212I145-R209 HydrophobicContact CD1-CG 4.31Å; E177-R209 IonicContact OE1-CZ 3.84Å; E177-R209 VanDerWaalsContact OE1-CZ 3.25Å; E177-R209 IonicContact OE1-NE 3.13Å; E177-R209 PolarHBondContact OE1-NE 3.28Å; E177-R209 IonicContact OE1-NH2 3.58Å; E177-R209 PolarHBondContact OE1-NH2 2.91Å; L179-R209 HydrophobicContact CD2-CB 4.38Å; L179-R209 HydrophobicContact CD2-CG 3.74Å; R209-S211 PolarHBondContact O-N 3.48Å; R209-N212 WeakPolarHBondContact O-CB 3.4Å; R209-N212 PolarHBondContact O-N 2.79Å
210R88.3Confident83.7Confident40 Ų4079.3 Ų79.315%0.15143%0.434CS..G310 helixtrans-55.7-36.9178.5-172.7175.8-76.8-121.24.6111.8D178 V180 Q208 N212 L213 G216 D224D178-R210 HydrophobicContact CB-CB 4Å; D178-R210 PolarHBondContact O-N 2.84Å; V180-R210 HydrophobicContact CG2-CB 4.01Å; V180-R210 HydrophobicContact CG2-CG 4.2Å; Q208-R210 PolarHBondContact O-N 3.5Å; R210-N212 PolarHBondContact O-N 2.88Å; R210-L213 PolarHBondContact O-N 2.78Å; R210-L213 VanDerWaalsContact O-N 3.16Å; R210-G216 VanDerWaalsContact O-CA 3.25Å; R210-G216 WeakPolarHBondContact O-CA 3.36Å; R210-D224 IonicContact NH2-OD2 3.12Å; R210-D224 PolarHBondContact NH2-OD2 3.4Å; R210-D224 VanDerWaalsContact NH2-OD2 3.13Å
211S84.8Confident81.8Confident89 Ų8986.5 Ų86.562%0.62245%0.454SS*.G310 helixtrans-61.4-23.5177.558.90000114.5R209R209-S211 PolarHBondContact O-N 3.48Å
212N86.3Confident80Confident111 Ų11185.2 Ų85.259%0.59443%0.432SS*.G310 helixtrans-90.2-12.1-179.1-65.8-4.2000112.5R209 R210R209-N212 WeakPolarHBondContact O-CB 3.4Å; R209-N212 PolarHBondContact O-N 2.79Å; R210-N212 PolarHBondContact O-N 2.88Å
213L83.4Confident78Confident47 Ų4787.6 Ų87.625%0.24646%0.462CS..SBendtrans-81.9144.5-178.2-68.3174.2000111.4V180 Q208 R210 G215 G216V180-L213 HydrophobicContact CB-CD1 3.8Å; V180-L213 HydrophobicContact CG1-CD1 4.05Å; V180-L213 HydrophobicContact CG2-CD1 4.04Å; Q208-L213 HydrophobicContact CB-CD2 4.33Å; Q208-L213 VanDerWaalsContact OE1-CD2 3.28Å; R210-L213 PolarHBondContact O-N 2.78Å; R210-L213 VanDerWaalsContact O-N 3.16Å; L213-G215 PolarHBondContact O-N 3.48Å; L213-G215 VanDerWaalsContact O-N 3.15Å; L213-G216 PolarHBondContact O-N 2.76Å
214P76.9Confident76.6Confident134 Ų13485.4 Ų85.487%0.8745%0.453SS*.THydrogen-bonded Turntrans-57.7118.7170.4-2031000110.2
215G70.6Confident75.8Confident45 Ų4590.4 Ų90.446%0.46448%0.48SS..THydrogen-bonded Turntrans84.513.8-174.500000115L213 N217 I218L213-G215 PolarHBondContact O-N 3.48Å; L213-G215 VanDerWaalsContact O-N 3.15Å; G215-N217 PolarHBondContact O-N 3.31Å; G215-I218 WeakPolarHBondContact O-CA 3.4Å; G215-I218 VanDerWaalsContact O-CB 3.31Å; G215-I218 WeakPolarHBondContact O-CB 3.24Å; G215-I218 PolarHBondContact O-N 2.85Å
216G63.6Low75.3Confident17 Ų1789.4 Ų89.418%0.17548%0.48CS..THydrogen-bonded Turntrans-55.8-22.1178.300000115.7R210 L213 I218R210-G216 VanDerWaalsContact O-CA 3.25Å; R210-G216 WeakPolarHBondContact O-CA 3.36Å; L213-G216 PolarHBondContact O-N 2.76Å; G216-I218 VanDerWaalsContact C-N 3.26Å; G216-I218 PolarHBondContact O-N 2.79Å
217N63.5Low75Confident162 Ų16286.1 Ų86.187%0.86647%0.468SS*.THydrogen-bonded Turntrans-78.7-7.4174-64.1-17.4000113.3G215G215-N217 PolarHBondContact O-N 3.31Å
218I64.4Low74.8Confident129 Ų12987.7 Ų87.766%0.66248%0.478SS*.  trans-98.797.1-179.9-53.9174.4000107.6G215 G216 K220G215-I218 WeakPolarHBondContact O-CA 3.4Å; G215-I218 VanDerWaalsContact O-CB 3.31Å; G215-I218 WeakPolarHBondContact O-CB 3.24Å; G215-I218 PolarHBondContact O-N 2.85Å; G216-I218 VanDerWaalsContact C-N 3.26Å; G216-I218 PolarHBondContact O-N 2.79Å; I218-K220 PolarHBondContact O-N 2.99Å
219Q63.3Low74.7Confident154 Ų15484 Ų8472%0.7246%0.461SS*.  trans-71.7110.2168.6-79.1-176.211.600109.4
220K60.4Low74.7Confident148 Ų14883.8 Ų83.864%0.64346%0.46SS*.  trans-65.5132.8170.2-154.8176.9-179.3-174.10108.1I218 S222I218-K220 PolarHBondContact O-N 2.99Å; K220-S222 PolarHBondContact O-N 3.42Å; K220-S222 VanDerWaalsContact O-N 3.13Å
221R57.3Low74.9Confident255 Ų25581.9 Ų81.996%0.96245%0.453SS*.  trans-74.78.8-178.8-62-177.8-178.1-174.50.3113.7
222S56.8Low75.2Confident54 Ų5477.7 Ų77.738%0.37842%0.423SS..SBendtrans-72144.2175.3410000110.1K220 D224K220-S222 PolarHBondContact O-N 3.42Å; K220-S222 VanDerWaalsContact O-N 3.13Å; S222-D224 PolarHBondContact O-N 3.49Å; S222-D224 PolarHBondContact OG-OD1 3.25Å
223A54.2Low75.2Confident108 Ų10872.8 Ų72.889%0.89340%0.397SS*.  trans-6982.2162.500000107.3D225A223-D225 PolarHBondContact O-N 3.19Å
224D65.5Low75.6Confident37 Ų3771.6 Ų71.620%0.19839%0.391CS..  trans-58.2129.1171.7-65.3-10.6000107R210 S222 C226 C243R210-D224 IonicContact NH2-OD2 3.12Å; R210-D224 PolarHBondContact NH2-OD2 3.4Å; R210-D224 VanDerWaalsContact NH2-OD2 3.13Å; S222-D224 PolarHBondContact O-N 3.49Å; S222-D224 PolarHBondContact OG-OD1 3.25Å; D224-C226 VanDerWaalsContact C-N 3.28Å; D224-C226 WeakPolarHBondContact CB-SG 3.37Å; D224-C226 PolarHBondContact O-N 3.46Å; D224-C226 PolarHBondContact O-SG 3.3Å; D224-C243 HydrophobicContact CB-CB 4.18Å
225D80.1Confident76.2Confident106 Ų10670.1 Ų70.157%0.56737%0.37SS*.  trans-66.992.3172.5-176.827.3000107.3A223 K244A223-D225 PolarHBondContact O-N 3.19Å; D225-K244 HydrophobicContact CB-CD 4.34Å; D225-K244 PolarHBondContact O-N 2.99Å; D225-K244 WeakPolarHBondContact OD2-CE 2.94Å; D225-K244 IonicContact OD2-NZ 3.88Å; D225-K244 PolarHBondContact OD2-NZ 2.99Å
226C88.3Confident77.2Confident32 Ų3269.1 Ų69.122%0.21635%0.353CS..EExtended strand (participates in β ladder)trans-117.3142.2-177.1-46.70000110D224 R241 I242 C243D224-C226 VanDerWaalsContact C-N 3.28Å; D224-C226 WeakPolarHBondContact CB-SG 3.37Å; D224-C226 PolarHBondContact O-N 3.46Å; D224-C226 PolarHBondContact O-SG 3.3Å; C226-R241 HydrophobicContact CB-CG 3.98Å; C226-R241 PolarHBondContact SG-NE 2.98Å; C226-I242 CarbonylContact C-O 3.54Å; C226-I242 WeakPolarHBondContact CA-O 3.41Å; C226-I242 WeakPolarHBondContact CB-O 3.37Å; C226-C243 HydrophobicContact CB-CB 4.05Å; C226-C243 WeakPolarHBondContact CB-SG 3.16Å; C226-C243 WeakPolarHBondContact SG-CB 3.47Å; C226-C243 CovalentContact SG-SG 2.04Å; C226-C243 PolarHBondContact SG-SG 3.47Å
227F88.5Confident78.5Confident15 Ų1568.3 Ų68.37%0.06635%0.345CS..EExtended strand (participates in β ladder)trans-112.5156.3170.460.4-85.7000109.1D119 D136 L139 F143 I229 I242D119-F227 HydrophobicContact CB-CB 4.39Å; D119-F227 WeakPolarHBondContact OD2-CA 3.28Å; D119-F227 WeakPolarHBondContact OD2-CB 3.3Å; D136-F227 HydrophobicContact CB-CE2 4.46Å; L139-F227 HydrophobicContact CD1-CD1 4.3Å; L139-F227 HydrophobicContact CD1-CE1 4.36Å; F143-F227 HydrophobicContact CD2-CE2 4.29Å; F143-F227 AromaticContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CE1-CE1 4.28Å; F143-F227 HydrophobicContact CE1-CZ 4.15Å; F143-F227 AromaticContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE2 4.01Å; F143-F227 AromaticContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CG-CZ 4.27Å; F143-F227 AromaticContact CZ-CE1 3.65Å; F143-F227 HydrophobicContact CZ-CE1 3.65Å; F143-F227 AromaticContact CZ-CZ 3.49Å; F143-F227 HydrophobicContact CZ-CZ 3.49Å; F143-F227 VanDerWaalsContact CZ-CZ 3.49Å; F227-I229 HydrophobicContact CD2-CD1 4.24Å; F227-I229 HydrophobicContact CD2-CG1 4.31Å; F227-I229 HydrophobicContact CE2-CD1 4.02Å; F227-I242 HydrophobicContact CD1-CB 4.2Å; F227-I242 HydrophobicContact CD1-CG2 4.38Å; F227-I242 WeakPolarHBondContact CD1-O 3.46Å; F227-I242 HydrophobicContact CD2-CB 4.21Å; F227-I242 HydrophobicContact CD2-CD1 4.33Å; F227-I242 HydrophobicContact CE1-CB 3.64Å; F227-I242 HydrophobicContact CE1-CG2 3.45Å; F227-I242 VanDerWaalsContact CE1-CG2 3.45Å; F227-I242 HydrophobicContact CE2-CB 3.68Å; F227-I242 HydrophobicContact CE2-CD1 3.38Å; F227-I242 HydrophobicContact CE2-CG1 4.04Å; F227-I242 HydrophobicContact CE2-CG2 4.13Å; F227-I242 HydrophobicContact CG-CB 4.45Å; F227-I242 HydrophobicContact CZ-CB 3.35Å; F227-I242 HydrophobicContact CZ-CD1 3.59Å; F227-I242 HydrophobicContact CZ-CG1 4.03Å; F227-I242 HydrophobicContact CZ-CG2 3.29Å; F227-I242 PolarHBondContact N-O 3.1Å; F227-I242 PolarHBondContact O-N 3.34Å
228T90.7Very high79.9Confident32 Ų3260.7 Ų60.720%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-129.6124.4-170.9520000110.5G118 D119 T240 R241G118-T228 CarbonylContact C-O 3.59Å; G118-T228 VanDerWaalsContact CA-O 3.3Å; G118-T228 WeakPolarHBondContact CA-O 3.46Å; D119-T228 PolarHBondContact N-O 2.9Å; D119-T228 PolarHBondContact OD2-N 3.42Å; T228-T240 WeakPolarHBondContact CA-O 3.3Å; T228-R241 HydrophobicContact CG2-CB 4.24Å; T228-R241 HydrophobicContact CG2-CG 4.08Å
229I91.4Very high81.2Confident0 Ų055.6 Ų55.60%028%0.278CS..EExtended strand (participates in β ladder)trans-114.3130.2178.6-57.6169.4000107.6V110 D119 A121 I123 Y134 F227 E239 T240 I242V110-I229 HydrophobicContact CG1-CG2 4.3Å; V110-I229 HydrophobicContact CG2-CG2 4.04Å; D119-I229 HydrophobicContact CB-CG1 4.48Å; A121-I229 HydrophobicContact CB-CD1 3.66Å; A121-I229 HydrophobicContact CB-CG1 4.17Å; A121-I229 HydrophobicContact CB-CG2 4.16Å; I123-I229 HydrophobicContact CD1-CG2 3.95Å; Y134-I229 HydrophobicContact CD1-CD1 3.87Å; F227-I229 HydrophobicContact CD2-CD1 4.24Å; F227-I229 HydrophobicContact CD2-CG1 4.31Å; F227-I229 HydrophobicContact CE2-CD1 4.02Å; I229-E239 CarbonylContact O-C 3.54Å; I229-E239 WeakPolarHBondContact O-CA 3.22Å; I229-T240 PolarHBondContact N-O 2.91Å; I229-T240 PolarHBondContact O-N 2.9Å; I229-I242 HydrophobicContact CD1-CD1 4.22Å
230R90.6Very high82.6Confident44 Ų4448.2 Ų48.217%0.16624%0.244CC..EExtended strand (participates in β ladder)trans-111.6128.2174.7-72.1-172.7-178.5135.96.6109.5T238 E239R230-T238 WeakPolarHBondContact CA-O 3.29Å; R230-E239 HydrophobicContact CG-CB 4.1Å; R230-E239 HydrophobicContact CG-CG 4.2Å; R230-E239 IonicContact CZ-OE1 2.71Å; R230-E239 IonicContact NE-OE1 3.79Å; R230-E239 PolarHBondContact NE-OE1 2.89Å; R230-E239 IonicContact NH2-OE1 2.77Å; R230-E239 PolarHBondContact NH2-OE1 3.26Å
231H91.9Very high84.1Confident0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-156.3169.6-17561.6-19.5000111.5E97 V110 I123 Y134 E233 T238 T240E97-H231 WeakPolarHBondContact OE1-CA 3.38Å; E97-H231 WeakPolarHBondContact OE1-CB 3.44Å; V110-H231 HydrophobicContact CG2-CB 4.2Å; I123-H231 HydrophobicContact CD1-CB 3.95Å; I123-H231 WeakPolarHBondContact CD1-CD2 3.15Å; Y134-H231 AromaticContact CE1-NE2 3.76Å; Y134-H231 PolarHBondContact OH-NE2 3Å; H231-E233 VanDerWaalsContact CD2-CD 3.42Å; H231-E233 IonicContact CD2-OE1 3.93Å; H231-E233 PolarHBondContact CD2-OE1 3.29Å; H231-E233 VanDerWaalsContact NE2-CD 3.28Å; H231-E233 IonicContact NE2-OE1 2.85Å; H231-E233 PolarHBondContact NE2-OE1 3.31Å; H231-E233 IonicContact NE2-OE2 2.75Å; H231-T238 PolarHBondContact N-O 3.33Å; H231-T238 PolarHBondContact ND1-O 3.48Å; H231-T238 PolarHBondContact O-N 3.5Å; H231-T238 VanDerWaalsContact O-O 3.06Å; H231-T240 PolarHBondContact CE1-OG1 2.88Å
232F91.3Very high85.7Confident1 Ų134.2 Ų34.20%0.00419%0.187CC..  trans-129.4109.6170.654-92.3000111.9M76 V95 E97 F162 L165 F236 V237M76-F232 HydrophobicContact CB-CD1 4.21Å; M76-F232 HydrophobicContact CB-CE1 4.38Å; M76-F232 HydrophobicContact CE-CD2 4.05Å; M76-F232 HydrophobicContact CE-CG 4.5Å; M76-F232 HydrophobicContact CG-CD1 4.21Å; M76-F232 HydrophobicContact CG-CD2 4.2Å; M76-F232 HydrophobicContact CG-CE1 4.35Å; M76-F232 HydrophobicContact CG-CE2 4.36Å; M76-F232 HydrophobicContact CG-CG 4.15Å; M76-F232 HydrophobicContact CG-CZ 4.45Å; M76-F232 HydrophobicContact SD-CB 3.91Å; M76-F232 HydrophobicContact SD-CD1 4.4Å; M76-F232 HydrophobicContact SD-CD2 3.98Å; M76-F232 HydrophobicContact SD-CG 3.85Å; V95-F232 HydrophobicContact CB-CD1 4.14Å; V95-F232 HydrophobicContact CB-CE1 4.22Å; V95-F232 HydrophobicContact CG1-CD1 3.96Å; V95-F232 HydrophobicContact CG1-CE1 4.04Å; E97-F232 HydrophobicContact CB-CE1 3.89Å; E97-F232 HydrophobicContact CB-CZ 3.77Å; E97-F232 HydrophobicContact CG-CD1 4.02Å; E97-F232 HydrophobicContact CG-CE1 3.5Å; E97-F232 VanDerWaalsContact CG-CE1 3.5Å; E97-F232 HydrophobicContact CG-CZ 3.92Å; E97-F232 WeakPolarHBondContact OE2-CD1 3.25Å; E97-F232 WeakPolarHBondContact OE2-CE1 3.36Å; E97-F232 VanDerWaalsContact OE2-CG 3.3Å; E97-F232 WeakPolarHBondContact OE2-CG 3.31Å; E97-F232 PolarHBondContact OE2-N 2.93Å; F162-F232 AromaticContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CZ 4.09Å; F162-F232 HydrophobicContact CE2-CE2 4.16Å; F162-F232 HydrophobicContact CZ-CD2 4.07Å; F162-F232 AromaticContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CZ 4.11Å; L165-F232 HydrophobicContact CD1-CD2 4.22Å; L165-F232 HydrophobicContact CD1-CE2 3.5Å; L165-F232 HydrophobicContact CD1-CZ 4.17Å; F232-F236 WeakPolarHBondContact CB-O 3.45Å; F232-V237 HydrophobicContact CB-CG2 4.42Å
233E86.3Confident87.3Confident8 Ų831.8 Ų31.84%0.03717%0.169CC..SBendtrans-100.97.5176.5-59.8177.2171.100111.7I123 H125 V152 L153 H231I123-E233 WeakPolarHBondContact CG2-OE1 3.46Å; H125-E233 IonicContact CE1-OE1 2.72Å; H125-E233 PolarHBondContact CE1-OE1 2.81Å; H125-E233 IonicContact CE1-OE2 2.91Å; H125-E233 PolarHBondContact CE1-OE2 2.93Å; H125-E233 IonicContact NE2-OE1 3.25Å; H125-E233 PolarHBondContact NE2-OE1 2.69Å; H125-E233 IonicContact NE2-OE2 2.72Å; V152-E233 HydrophobicContact CG1-CB 4.28Å; V152-E233 HydrophobicContact CG2-CB 4.31Å; V152-E233 WeakPolarHBondContact CG2-OE2 3.14Å; L153-E233 PolarHBondContact N-O 2.84Å; L153-E233 VanDerWaalsContact N-O 3.1Å; H231-E233 VanDerWaalsContact CD2-CD 3.42Å; H231-E233 IonicContact CD2-OE1 3.93Å; H231-E233 PolarHBondContact CD2-OE1 3.29Å; H231-E233 VanDerWaalsContact NE2-CD 3.28Å; H231-E233 IonicContact NE2-OE1 2.85Å; H231-E233 PolarHBondContact NE2-OE1 3.31Å; H231-E233 IonicContact NE2-OE2 2.75Å
234N91.6Very high88.8Confident23 Ų2331.1 Ų31.112%0.12315%0.146CC..SBendtrans-157.6-171.2-178.1-154.3-34.2000110M76 V151 L153 F236M76-N234 WeakPolarHBondContact CE-O 3.42Å; V151-N234 WeakPolarHBondContact O-CB 3.44Å; V151-N234 PolarHBondContact O-ND2 2.71Å; L153-N234 HydrophobicContact CG-CB 4.29Å; N234-F236 HydrophobicContact CB-CD1 4Å; N234-F236 HydrophobicContact CB-CE1 3.64Å; N234-F236 HydrophobicContact CB-CE2 4.21Å; N234-F236 HydrophobicContact CB-CG 4.44Å; N234-F236 HydrophobicContact CB-CZ 3.76Å; N234-F236 WeakPolarHBondContact ND2-CE1 3.23Å; N234-F236 PolarHBondContact O-N 3.05Å
235K90.8Very high88.8Confident102 Ų10235.3 Ų35.344%0.44319%0.186SC..SBendtrans-67.515.9173.1-62.8-179.1-177.5-1790113.9L161 Y170 S172L161-K235 HydrophobicContact CD1-CG 4.02Å; Y170-K235 HydrophobicContact CE1-CB 4.09Å; Y170-K235 VanDerWaalsContact CE1-O 3.28Å; Y170-K235 WeakPolarHBondContact CE1-O 3.4Å; S172-K235 VanDerWaalsContact CB-O 3.29Å; S172-K235 WeakPolarHBondContact CB-O 3.06Å
236F91.5Very high89.3Confident24 Ų2431.8 Ų31.811%0.10517%0.167CC..SBendtrans-146.4153.5178.153.9-99.2000110.3V151 Y173 V175 F232 N234 T238V151-F236 HydrophobicContact CG1-CE2 4.3Å; V151-F236 HydrophobicContact CG1-CZ 4.12Å; Y173-F236 HydrophobicContact CD1-CB 4.42Å; Y173-F236 HydrophobicContact CD2-CB 4.35Å; Y173-F236 HydrophobicContact CE1-CB 4.13Å; Y173-F236 HydrophobicContact CE2-CB 4.08Å; Y173-F236 HydrophobicContact CE2-CD1 4.5Å; Y173-F236 HydrophobicContact CE2-CG 4.25Å; V175-F236 HydrophobicContact CB-CD2 3.88Å; V175-F236 HydrophobicContact CB-CE2 4.03Å; V175-F236 HydrophobicContact CG1-CE2 4.41Å; V175-F236 HydrophobicContact CG2-CB 4.45Å; V175-F236 HydrophobicContact CG2-CD2 3.44Å; V175-F236 VanDerWaalsContact CG2-CD2 3.44Å; V175-F236 HydrophobicContact CG2-CE2 3.78Å; V175-F236 HydrophobicContact CG2-CG 3.97Å; F232-F236 WeakPolarHBondContact CB-O 3.45Å; N234-F236 HydrophobicContact CB-CD1 4Å; N234-F236 HydrophobicContact CB-CE1 3.64Å; N234-F236 HydrophobicContact CB-CE2 4.21Å; N234-F236 HydrophobicContact CB-CG 4.44Å; N234-F236 HydrophobicContact CB-CZ 3.76Å; N234-F236 WeakPolarHBondContact ND2-CE1 3.23Å; N234-F236 PolarHBondContact O-N 3.05Å; F236-T238 WeakPolarHBondContact CE2-OG1 3.45Å
237V91.2Very high89.3Confident0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-81.7130.8176.4176.80000108.7M76 F78 V95 Y173 L174 V175 F232M76-V237 HydrophobicContact CB-CG2 4.08Å; F78-V237 HydrophobicContact CB-CB 4.13Å; F78-V237 HydrophobicContact CB-CG2 3.85Å; F78-V237 HydrophobicContact CD1-CB 4.05Å; F78-V237 HydrophobicContact CD1-CG1 4.06Å; F78-V237 HydrophobicContact CD1-CG2 3.7Å; F78-V237 HydrophobicContact CE1-CG1 4.17Å; F78-V237 HydrophobicContact CG-CB 4.03Å; F78-V237 HydrophobicContact CG-CG1 4.36Å; F78-V237 HydrophobicContact CG-CG2 3.96Å; V95-V237 HydrophobicContact CG2-CG1 3.83Å; V95-V237 HydrophobicContact CG2-CG2 4.16Å; Y173-V237 PolarHBondContact O-N 3.36Å; L174-V237 CarbonylContact C-O 3.49Å; L174-V237 WeakPolarHBondContact CA-O 3.31Å; L174-V237 HydrophobicContact CD1-CB 4.3Å; L174-V237 HydrophobicContact CD1-CG1 3.86Å; V175-V237 PolarHBondContact N-O 3.04Å; F232-V237 HydrophobicContact CB-CG2 4.42Å
238T91.8Very high89.4Confident3 Ų332.7 Ų32.72%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-109127.9176.4-55.30000109.8V175 E177 R230 H231 F236V175-T238 CarbonylContact O-C 3.55Å; V175-T238 VanDerWaalsContact O-CA 3.3Å; V175-T238 WeakPolarHBondContact O-CA 3.31Å; E177-T238 HydrophobicContact CB-CG2 4.42Å; R230-T238 WeakPolarHBondContact CA-O 3.29Å; H231-T238 PolarHBondContact N-O 3.33Å; H231-T238 PolarHBondContact ND1-O 3.48Å; H231-T238 PolarHBondContact O-N 3.5Å; H231-T238 VanDerWaalsContact O-O 3.06Å; F236-T238 WeakPolarHBondContact CE2-OG1 3.45Å
239E91.4Very high89.3Confident21 Ų2132.8 Ų32.810%0.09817%0.169CC..EExtended strand (participates in β ladder)trans-102.1107.6168.6173.7173.8-93.900108.6L174 V175 R176 E177 I229 R230L174-E239 HydrophobicContact CD1-CB 3.9Å; L174-E239 HydrophobicContact CG-CB 4.49Å; V175-E239 PolarHBondContact O-N 2.94Å; R176-E239 WeakPolarHBondContact CA-O 3.29Å; R176-E239 VanDerWaalsContact CD-OE2 3.29Å; R176-E239 WeakPolarHBondContact CD-OE2 3.44Å; R176-E239 HydrophobicContact CG-CB 4.34Å; R176-E239 IonicContact NE-OE2 2.9Å; R176-E239 PolarHBondContact NE-OE2 2.93Å; E177-E239 PolarHBondContact N-O 3.35Å; I229-E239 CarbonylContact O-C 3.54Å; I229-E239 WeakPolarHBondContact O-CA 3.22Å; R230-E239 HydrophobicContact CG-CB 4.1Å; R230-E239 HydrophobicContact CG-CG 4.2Å; R230-E239 IonicContact CZ-OE1 2.71Å; R230-E239 IonicContact NE-OE1 3.79Å; R230-E239 PolarHBondContact NE-OE1 2.89Å; R230-E239 IonicContact NH2-OE1 2.77Å; R230-E239 PolarHBondContact NH2-OE1 3.26Å
240T92.4Very high89.2Confident0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-95.2115.3178.8-57.20000108.7Y134 E177 L179 T228 I229 H231 I242Y134-T240 HydrophobicContact CE1-CG2 4.37Å; E177-T240 WeakPolarHBondContact O-CA 3.24Å; L179-T240 HydrophobicContact CD1-CG2 3.48Å; L179-T240 VanDerWaalsContact CD1-CG2 3.48Å; L179-T240 HydrophobicContact CG-CG2 3.94Å; T228-T240 WeakPolarHBondContact CA-O 3.3Å; I229-T240 PolarHBondContact N-O 2.91Å; I229-T240 PolarHBondContact O-N 2.9Å; H231-T240 PolarHBondContact CE1-OG1 2.88Å; T240-I242 HydrophobicContact CG2-CD1 4.3Å; T240-I242 HydrophobicContact CG2-CG1 4.02Å
241R92.5Very high89.1Confident109 Ų10934.2 Ų34.241%0.41118%0.18SC..EExtended strand (participates in β ladder)trans-101.3114.2176-177179.8177.9-1800.1109E177 L179 C226 T228E177-R241 PolarHBondContact O-N 2.77Å; L179-R241 PolarHBondContact N-O 2.98Å; C226-R241 HydrophobicContact CB-CG 3.98Å; C226-R241 PolarHBondContact SG-NE 2.98Å; T228-R241 HydrophobicContact CG2-CB 4.24Å; T228-R241 HydrophobicContact CG2-CG 4.08Å
242I92.1Very high88.9Confident0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-106.6119.8-180-61.2163.8000108.2Y134 L179 V181 M207 C226 F227 I229 T240Y134-I242 HydrophobicContact CG-CD1 4.28Å; L179-I242 HydrophobicContact CB-CG1 4.01Å; L179-I242 HydrophobicContact CD1-CG1 4.12Å; V181-I242 HydrophobicContact CG2-CG2 3.77Å; M207-I242 HydrophobicContact CE-CD1 3.99Å; M207-I242 HydrophobicContact CE-CG1 4.44Å; M207-I242 HydrophobicContact SD-CB 4.2Å; M207-I242 HydrophobicContact SD-CD1 3.72Å; M207-I242 HydrophobicContact SD-CG1 3.71Å; M207-I242 HydrophobicContact SD-CG2 3.4Å; M207-I242 WeakPolarHBondContact SD-CG2 3.34Å; C226-I242 CarbonylContact C-O 3.54Å; C226-I242 WeakPolarHBondContact CA-O 3.41Å; C226-I242 WeakPolarHBondContact CB-O 3.37Å; F227-I242 HydrophobicContact CD1-CB 4.2Å; F227-I242 HydrophobicContact CD1-CG2 4.38Å; F227-I242 WeakPolarHBondContact CD1-O 3.46Å; F227-I242 HydrophobicContact CD2-CB 4.21Å; F227-I242 HydrophobicContact CD2-CD1 4.33Å; F227-I242 HydrophobicContact CE1-CB 3.64Å; F227-I242 HydrophobicContact CE1-CG2 3.45Å; F227-I242 VanDerWaalsContact CE1-CG2 3.45Å; F227-I242 HydrophobicContact CE2-CB 3.68Å; F227-I242 HydrophobicContact CE2-CD1 3.38Å; F227-I242 HydrophobicContact CE2-CG1 4.04Å; F227-I242 HydrophobicContact CE2-CG2 4.13Å; F227-I242 HydrophobicContact CG-CB 4.45Å; F227-I242 HydrophobicContact CZ-CB 3.35Å; F227-I242 HydrophobicContact CZ-CD1 3.59Å; F227-I242 HydrophobicContact CZ-CG1 4.03Å; F227-I242 HydrophobicContact CZ-CG2 3.29Å; F227-I242 PolarHBondContact N-O 3.1Å; F227-I242 PolarHBondContact O-N 3.34Å; I229-I242 HydrophobicContact CD1-CD1 4.22Å; T240-I242 HydrophobicContact CG2-CD1 4.3Å; T240-I242 HydrophobicContact CG2-CG1 4.02Å
243C90.2Very high88.7Confident2 Ų239.4 Ų39.41%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-113.8140.8-179-61.70000111.1L179 V180 V181 D224 C226L179-C243 PolarHBondContact O-N 3.46Å; V180-C243 WeakPolarHBondContact CA-O 3.22Å; V181-C243 PolarHBondContact N-O 3.4Å; D224-C243 HydrophobicContact CB-CB 4.18Å; C226-C243 HydrophobicContact CB-CB 4.05Å; C226-C243 WeakPolarHBondContact CB-SG 3.16Å; C226-C243 WeakPolarHBondContact SG-CB 3.47Å; C226-C243 CovalentContact SG-SG 2.04Å; C226-C243 PolarHBondContact SG-SG 3.47Å
244K84Confident88.9Confident94 Ų9442 Ų4241%0.40922%0.222SC..  trans-67.5140.2166.2-65.2175.3-175.2162.10109.7D225D225-K244 HydrophobicContact CB-CD 4.34Å; D225-K244 PolarHBondContact O-N 2.99Å; D225-K244 WeakPolarHBondContact OD2-CE 2.94Å; D225-K244 IonicContact OD2-NZ 3.88Å; D225-K244 PolarHBondContact OD2-NZ 2.99Å
245A67.5Low88.7Confident126 Ų12643.7 Ų43.7100%1.04123%0.231SC*.  trans-73.9017600000112.7V180 V181V180-A245 HydrophobicContact CG1-CB 3.9Å; V181-A245 VanDerWaalsContact O-CB 3.24Å; V181-A245 WeakPolarHBondContact O-CB 3.42Å

Retrieved 245 of 245 residues in 122 ms (Link to these results)