A0A087WTR9_HUMAN Loading...

MDM4 regulator of p53

AlphaFold DB , UniProt , Accession A0A087WTR9, Species HUMAN (Homo sapiens, Human), Gene MDM4, Length 267 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
1M42Very low36.7Very low228 Ų228139.5 Ų139.5100%1.12384%0.837SS**  0890-62.9-179138.900106.4
2T36Very low36.8Very low126 Ų126138.8 Ų138.877%0.77383%0.834SS**  cis54.9133.126.458.90000112.5
3S36.9Very low37.2Very low101 Ų101136.8 Ų136.871%0.70683%0.83SS**  cis-149.5143.825.647.70000115.9
4F32.6Very low37.4Very low192 Ų192137.1 Ų137.184%0.84283%0.825SS**  trans31.7138.3142.4-60.7-74000123.7
5S39.2Very low37.5Very low122 Ų122135.5 Ų135.585%0.85382%0.822SS**  trans-82.5147.1160.9-39.30000112.2
6T36.4Very low37.4Very low140 Ų140131.5 Ų131.586%0.85981%0.808SS**  trans-143138.1162.3-44.80000110.4
7S39.6Very low37.4Very low115 Ų115130.4 Ų130.480%0.80481%0.805SS**  trans-89.1143.317254.20000111.9
8A38.2Very low37.7Very low101 Ų101136.9 Ų136.984%0.83581%0.812SS**  trans-133.3143.1162.700000110
9Q40.5Very low37.9Very low186 Ų186137.8 Ų137.887%0.86981%0.811SS**  trans-100.1-159.1175.4-63179.4-14.100109.7
10C27.3Very low38.3Very low120 Ų120136 Ų13681%0.81181%0.806SS**  trans78.8132174.6-54.60000115.1
11S34.4Very low38.6Very low104 Ų104135.3 Ų135.373%0.72781%0.805SS**  cis-152.3153.2-10.1-86.70000110.9S13S11-S13 PolarHBondContact O-N 3.21Å
12T38.6Very low38.8Very low131 Ų131127 Ų12780%0.80478%0.778SS**  trans-65.9114.9165.745.80000110.5
13S42Very low39.6Very low112 Ų112129.6 Ų129.678%0.78378%0.781SS**  trans-102.279.8163.850.40000109.8S11 S15S11-S13 PolarHBondContact O-N 3.21Å; S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.42Å
14D39.2Very low40.7Very low142 Ų142130.3 Ų130.376%0.75978%0.776SS**  trans-58.399.1163.5-86.9-60.6000109A16D14-A16 HydrophobicContact CB-CB 4.46Å; D14-A16 PolarHBondContact O-N 3.38Å
15S40.2Very low42.6Very low112 Ų112126.3 Ų126.378%0.78376%0.763SS**  trans-75.150.9164.352.50000109.8S13 C17S13-S15 VanDerWaalsContact C-N 3.33Å; S13-S15 PolarHBondContact O-N 3.42Å; S15-C17 VanDerWaalsContact C-N 3.31Å; S15-C17 PolarHBondContact O-N 2.95Å
16A35.1Very low44.6Very low72 Ų72125.6 Ų125.660%0.59575%0.747SS**  trans-6394.517000000108D14 R18D14-A16 HydrophobicContact CB-CB 4.46Å; D14-A16 PolarHBondContact O-N 3.38Å; A16-R18 PolarHBondContact O-N 3.28Å
17C37.5Very low46.9Very low112 Ų112122.2 Ų122.276%0.75773%0.725SS**  trans-55105.2171.1-65.30000107.8S15 I19S15-C17 VanDerWaalsContact C-N 3.31Å; S15-C17 PolarHBondContact O-N 2.95Å; C17-I19 PolarHBondContact O-N 3.23Å
18R43.7Very low49.4Very low248 Ų248125 Ų12594%0.93672%0.718SS**  trans-71.276.5177.3-69.7-170.4180-141.52.3109.4A16 S20A16-R18 PolarHBondContact O-N 3.28Å; R18-S20 PolarHBondContact O-N 3.19Å
19I41Very low51.7Low155 Ų155121.1 Ų121.180%0.79568%0.684SS**  trans-59.8117.9163.6-60174.7000105.8C17C17-I19 PolarHBondContact O-N 3.23Å
20S44.9Very low54.2Low100 Ų100120.8 Ų120.870%0.69968%0.68SS**  trans-56.2143.8175.2-170.50000109.6R18 G22R18-S20 PolarHBondContact O-N 3.19Å; S20-G22 PolarHBondContact O-N 3.31Å
21P45.2Very low57.2Low122 Ų122120.3 Ų120.379%0.79267%0.669SS**  trans-74.263.7-178.432.8-37.5000112
22G46Very low60.1Low53 Ų53120 Ų12055%0.54666%0.664SS.*  trans-58.1138.9156.400000108.5S20 I24S20-G22 PolarHBondContact O-N 3.31Å; G22-I24 WeakPolarHBondContact O-CG1 3.38Å; G22-I24 PolarHBondContact O-N 2.98Å
23Q53Low62.5Low181 Ų181118 Ų11885%0.84665%0.649SS**  trans-61.4103.5-173.5-71.2172.1-84.600110.2N25Q23-N25 PolarHBondContact O-N 3.2Å
24I59.5Low65Low117 Ų117113.4 Ų113.460%0.662%0.615SS**  trans-74.897.2179.4-38176.2000106.9G22 Q26 T48G22-I24 WeakPolarHBondContact O-CG1 3.38Å; G22-I24 PolarHBondContact O-N 2.98Å; I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 3.12Å; I24-T48 HydrophobicContact CG2-CG2 3.42Å; I24-T48 VanDerWaalsContact CG2-CG2 3.42Å
25N72.4Confident67.5Low108 Ų108113.1 Ų113.158%0.57861%0.607SS**  trans-66.187179.5-73.7-27.5000109.9Q23 V49Q23-N25 PolarHBondContact O-N 3.2Å; N25-V49 PolarHBondContact O-N 3.11Å
26Q81.4Confident70.1Confident107 Ų107113.1 Ų113.150%0.560%0.597SS.*EExtended strand (participates in β ladder)trans-79.8119.4172.4-69.6-173.636.400109I24 F47 T48I24-Q26 VanDerWaalsContact C-N 3.26Å; I24-Q26 PolarHBondContact O-N 3.12Å; Q26-F47 WeakPolarHBondContact CA-O 3.37Å; Q26-T48 HydrophobicContact CG-CG2 4.03Å
27V85.4Confident72.9Confident68 Ų68112 Ų11241%0.41258%0.58SS.*EExtended strand (participates in β ladder)trans-111.4147.8177.3-640000110P29 M46 F47 V49V27-P29 WeakPolarHBondContact O-CD 3.18Å; V27-M46 WeakPolarHBondContact O-CA 3.39Å; V27-F47 PolarHBondContact N-O 2.77Å; V27-F47 PolarHBondContact O-N 2.85Å; V27-V49 HydrophobicContact CB-CG2 4.45Å; V27-V49 HydrophobicContact CG1-CG2 3.82Å; V27-V49 HydrophobicContact CG2-CG2 3.73Å
28R91.2Very high75.7Confident174 Ų174110.5 Ų110.566%0.65756%0.562SS**  trans-99.9104.8169-170.3175.8-175.5-137.42.3108.3E45R28-E45 HydrophobicContact CG-CB 4.4Å; R28-E45 IonicContact CZ-OE2 2.66Å; R28-E45 IonicContact NE-OE2 3.56Å; R28-E45 PolarHBondContact NE-OE2 3.15Å; R28-E45 IonicContact NH2-OE1 2.77Å; R28-E45 IonicContact NH2-OE2 3.11Å; R28-E45 PolarHBondContact NH2-OE2 3.14Å
29P87.6Confident78.1Confident19 Ų19103.1 Ų103.112%0.12355%0.554CS.*  trans-61148.8-175.2-26.336.5000112.8V27 L33 L34 L37 E45 F47V27-P29 WeakPolarHBondContact O-CD 3.18Å; P29-L33 HydrophobicContact CB-CB 4.09Å; P29-L33 HydrophobicContact CB-CD2 4.08Å; P29-L33 HydrophobicContact CB-CG 3.99Å; P29-L34 HydrophobicContact CB-CB 4.45Å; P29-L37 HydrophobicContact CB-CD1 4.4Å; P29-L37 HydrophobicContact CG-CD1 3.87Å; P29-E45 VanDerWaalsContact CD-O 3.25Å; P29-E45 WeakPolarHBondContact CD-O 3.39Å; P29-F47 HydrophobicContact CG-CD2 3.56Å; P29-F47 HydrophobicContact CG-CE2 4.11Å; P29-F47 HydrophobicContact CG-CG 4.28Å
30K91.9Very high80.6Confident180 Ų18099.8 Ų99.878%0.78355%0.55SS*.  trans-59.3145.5169.3-66.5-179.6-178.7174.90109.6P32 L33 L34K30-P32 VanDerWaalsContact C-N 3.31Å; K30-P32 WeakPolarHBondContact O-CD 3.25Å; K30-L33 PolarHBondContact O-N 3.49Å; K30-L34 PolarHBondContact O-N 2.89Å; K30-L34 VanDerWaalsContact O-N 3.13Å
31L91.9Very high82.9Confident110 Ų11097.6 Ų97.658%0.57654%0.543SS*.Hα-helixtrans-46.8-37.2-171-175.862.4000116.2L34 K35L31-L34 HydrophobicContact CD1-CD2 4.5Å; L31-K35 HydrophobicContact CD1-CG 4.41Å; L31-K35 WeakPolarHBondContact O-CG 3.45Å; L31-K35 PolarHBondContact O-N 3.36Å; L31-K35 VanDerWaalsContact O-N 3.12Å
32P93.6Very high85.1Confident96 Ų9693.6 Ų93.662%0.62352%0.521SS*.Hα-helixtrans-61.8-44.2175-23.935.5000113.4K30 I36K30-P32 VanDerWaalsContact C-N 3.31Å; K30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-I36 WeakPolarHBondContact O-CG1 3.44Å; P32-I36 PolarHBondContact O-N 3.47Å
33L90.5Very high87.1Confident91 Ų9199.6 Ų99.648%0.47653%0.534SS..Hα-helixtrans-72-38.5179.2179.754.9000111.3P29 K30 K35 I36 L37P29-L33 HydrophobicContact CB-CB 4.09Å; P29-L33 HydrophobicContact CB-CD2 4.08Å; P29-L33 HydrophobicContact CB-CG 3.99Å; K30-L33 PolarHBondContact O-N 3.49Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.81Å; L33-I36 PolarHBondContact O-N 2.98Å; L33-I36 VanDerWaalsContact O-N 3.12Å; L33-L37 HydrophobicContact CD1-CD1 4.4Å; L33-L37 HydrophobicContact CD1-CG 4.35Å; L33-L37 HydrophobicContact CG-CD1 4.12Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.28Å
34L92.9Very high88.8Confident14 Ų1493.2 Ų93.27%0.07352%0.517CS..Hα-helixtrans-56.7-43.9174.6-17662.5000111.9P29 K30 L31 I36 L37 H38 E45 F47P29-L34 HydrophobicContact CB-CB 4.45Å; K30-L34 PolarHBondContact O-N 2.89Å; K30-L34 VanDerWaalsContact O-N 3.13Å; L31-L34 HydrophobicContact CD1-CD2 4.5Å; L34-I36 VanDerWaalsContact C-N 3.34Å; L34-I36 PolarHBondContact O-N 3.1Å; L34-L37 PolarHBondContact O-N 3.39Å; L34-H38 WeakPolarHBondContact CD1-NE2 3.49Å; L34-H38 PolarHBondContact O-N 2.94Å; L34-E45 HydrophobicContact CD1-CB 4.47Å; L34-E45 HydrophobicContact CD2-CG 4.35Å; L34-F47 HydrophobicContact CD1-CE2 3.71Å; L34-F47 HydrophobicContact CD1-CZ 4.27Å
35K93.2Very high90.2Very high136 Ų13691.9 Ų91.959%0.59151%0.508SS*.Hα-helixtrans-62.2-37.5175.8-74.6178.5177.7-174.70113.2L31 L33 A39L31-K35 HydrophobicContact CD1-CG 4.41Å; L31-K35 WeakPolarHBondContact O-CG 3.45Å; L31-K35 PolarHBondContact O-N 3.36Å; L31-K35 VanDerWaalsContact O-N 3.12Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.81Å; K35-A39 WeakPolarHBondContact O-CB 3.41Å; K35-A39 PolarHBondContact O-N 3.03Å
36I94.9Very high91Very high113 Ų11392.7 Ų92.758%0.57951%0.51SS*.Hα-helixtrans-67.6-43.4177.3-65.4166.2000110.3P32 L33 L34 A39 A40P32-I36 WeakPolarHBondContact O-CG1 3.44Å; P32-I36 PolarHBondContact O-N 3.47Å; L33-I36 PolarHBondContact O-N 2.98Å; L33-I36 VanDerWaalsContact O-N 3.12Å; L34-I36 VanDerWaalsContact C-N 3.34Å; L34-I36 PolarHBondContact O-N 3.1Å; I36-A39 PolarHBondContact O-N 3.32Å; I36-A40 PolarHBondContact O-N 2.69Å
37L93.9Very high91.3Very high47 Ų4789.5 Ų89.525%0.24650%0.495CS..Hα-helixtrans-62.6-42.8177-67.5166000111.7P29 L33 L34 A40 G41 A42 F47P29-L37 HydrophobicContact CB-CD1 4.4Å; P29-L37 HydrophobicContact CG-CD1 3.87Å; L33-L37 HydrophobicContact CD1-CD1 4.4Å; L33-L37 HydrophobicContact CD1-CG 4.35Å; L33-L37 HydrophobicContact CG-CD1 4.12Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.28Å; L34-L37 PolarHBondContact O-N 3.39Å; L37-A40 CarbonylContact O-C 3.59Å; L37-A40 PolarHBondContact O-N 2.81Å; L37-G41 PolarHBondContact O-N 3.34Å; L37-A42 HydrophobicContact CB-CB 4.37Å; L37-A42 VanDerWaalsContact O-CB 3.29Å; L37-A42 WeakPolarHBondContact O-CB 3.14Å; L37-A42 PolarHBondContact O-N 3.1Å; L37-F47 HydrophobicContact CB-CE1 4.08Å; L37-F47 HydrophobicContact CB-CZ 3.95Å; L37-F47 HydrophobicContact CD1-CD1 4.04Å; L37-F47 HydrophobicContact CD1-CD2 4.08Å; L37-F47 HydrophobicContact CD1-CE1 3.9Å; L37-F47 HydrophobicContact CD1-CE2 3.94Å; L37-F47 HydrophobicContact CD1-CG 4.12Å; L37-F47 HydrophobicContact CD1-CZ 3.86Å; L37-F47 HydrophobicContact CD2-CE1 4.46Å; L37-F47 HydrophobicContact CG-CE1 4.37Å; L37-F47 HydrophobicContact CG-CZ 4.47Å
38H95.2Very high91.5Very high82 Ų8290.5 Ų90.538%0.3850%0.501SS..Hα-helixtrans-65.1-39.9173.9-67.7174.1000112.6L34 A40 G41 A42 G44L34-H38 WeakPolarHBondContact CD1-NE2 3.49Å; L34-H38 PolarHBondContact O-N 2.94Å; H38-A40 PolarHBondContact O-N 2.93Å; H38-G41 PolarHBondContact O-N 3.17Å; H38-A42 PolarHBondContact CD2-O 3.27Å; H38-A42 VanDerWaalsContact CD2-O 3.32Å; H38-G44 PolarHBondContact NE2-O 3.07Å
39A94.6Very high90.9Very high92 Ų9286.5 Ų86.576%0.7650%0.496SS*.Hα-helixtrans-66.1-26.9174.800000113K35 I36 G41K35-A39 WeakPolarHBondContact O-CB 3.41Å; K35-A39 PolarHBondContact O-N 3.03Å; I36-A39 PolarHBondContact O-N 3.32Å; A39-G41 PolarHBondContact O-N 3.29Å
40A93.6Very high90.5Very high85 Ų8594.1 Ų94.170%0.70253%0.527SS*.THydrogen-bonded Turntrans-80.33.717000000113.8I36 L37 H38I36-A40 PolarHBondContact O-N 2.69Å; L37-A40 CarbonylContact O-C 3.59Å; L37-A40 PolarHBondContact O-N 2.81Å; H38-A40 PolarHBondContact O-N 2.93Å
41G92.4Very high89.4Confident55 Ų5593.1 Ų93.157%0.56753%0.525SS*.THydrogen-bonded Turntrans86.95177.200000115.4L37 H38 A39L37-G41 PolarHBondContact O-N 3.34Å; H38-G41 PolarHBondContact O-N 3.17Å; A39-G41 PolarHBondContact O-N 3.29Å
42A92.6Very high87.6Confident38 Ų3893.4 Ų93.431%0.31453%0.531SS..  trans-74148.117600000111.5L37 H38 F47L37-A42 HydrophobicContact CB-CB 4.37Å; L37-A42 VanDerWaalsContact O-CB 3.29Å; L37-A42 WeakPolarHBondContact O-CB 3.14Å; L37-A42 PolarHBondContact O-N 3.1Å; H38-A42 PolarHBondContact CD2-O 3.27Å; H38-A42 VanDerWaalsContact CD2-O 3.32Å; A42-F47 HydrophobicContact CB-CE1 3.87Å; A42-F47 HydrophobicContact CB-CZ 4.44Å
43Q87.5Confident85.8Confident179 Ų17995.3 Ų95.384%0.83654%0.535SS*.  trans-117.3148.1-171.8-60179.98.100111.3
44G89Confident83.6Confident47 Ų4799.7 Ų99.749%0.48555%0.553SS.*SBendtrans85-177-177.500000114H38H38-G44 PolarHBondContact NE2-O 3.07Å
45E89Confident81.3Confident88 Ų88104.8 Ų104.841%0.41158%0.584SS.*SBendtrans-117.3-12.3-176.9-60.7-168157.800114.5R28 P29 L34R28-E45 HydrophobicContact CG-CB 4.4Å; R28-E45 IonicContact CZ-OE2 2.66Å; R28-E45 IonicContact NE-OE2 3.56Å; R28-E45 PolarHBondContact NE-OE2 3.15Å; R28-E45 IonicContact NH2-OE1 2.77Å; R28-E45 IonicContact NH2-OE2 3.11Å; R28-E45 PolarHBondContact NH2-OE2 3.14Å; P29-E45 VanDerWaalsContact CD-O 3.25Å; P29-E45 WeakPolarHBondContact CD-O 3.39Å; L34-E45 HydrophobicContact CD1-CB 4.47Å; L34-E45 HydrophobicContact CD2-CG 4.35Å
46M89Confident78.9Confident125 Ų125101 Ų10162%0.61658%0.584SS**  trans-107.3132.3179.6-60.5-168.7-56.600109.6V27V27-M46 WeakPolarHBondContact O-CA 3.39Å
47F87.9Confident76.4Confident40 Ų40104.3 Ų104.318%0.17560%0.595CS.*EExtended strand (participates in β ladder)trans-130.6140.4-174.7-63.8-96.4000109.3Q26 V27 P29 L34 L37 A42Q26-F47 WeakPolarHBondContact CA-O 3.37Å; V27-F47 PolarHBondContact N-O 2.77Å; V27-F47 PolarHBondContact O-N 2.85Å; P29-F47 HydrophobicContact CG-CD2 3.56Å; P29-F47 HydrophobicContact CG-CE2 4.11Å; P29-F47 HydrophobicContact CG-CG 4.28Å; L34-F47 HydrophobicContact CD1-CE2 3.71Å; L34-F47 HydrophobicContact CD1-CZ 4.27Å; L37-F47 HydrophobicContact CB-CE1 4.08Å; L37-F47 HydrophobicContact CB-CZ 3.95Å; L37-F47 HydrophobicContact CD1-CD1 4.04Å; L37-F47 HydrophobicContact CD1-CD2 4.08Å; L37-F47 HydrophobicContact CD1-CE1 3.9Å; L37-F47 HydrophobicContact CD1-CE2 3.94Å; L37-F47 HydrophobicContact CD1-CG 4.12Å; L37-F47 HydrophobicContact CD1-CZ 3.86Å; L37-F47 HydrophobicContact CD2-CE1 4.46Å; L37-F47 HydrophobicContact CG-CE1 4.37Å; L37-F47 HydrophobicContact CG-CZ 4.47Å; A42-F47 HydrophobicContact CB-CE1 3.87Å; A42-F47 HydrophobicContact CB-CZ 4.44Å
48T88.2Confident73.7Confident89 Ų89109.2 Ų109.255%0.54662%0.621SS.*EExtended strand (participates in β ladder)trans-82.3126.217850.20000109.9I24 Q26 K50I24-T48 HydrophobicContact CG2-CG2 3.42Å; I24-T48 VanDerWaalsContact CG2-CG2 3.42Å; Q26-T48 HydrophobicContact CG-CG2 4.03Å; T48-K50 PolarHBondContact O-N 3.01Å
49V79.3Confident71.4Confident90 Ų90112.7 Ų112.755%0.54564%0.642SS.*  trans-72.2114168.8-176.90000107.8N25 V27N25-V49 PolarHBondContact O-N 3.11Å; V27-V49 HydrophobicContact CB-CG2 4.45Å; V27-V49 HydrophobicContact CG1-CG2 3.82Å; V27-V49 HydrophobicContact CG2-CG2 3.73Å
50K79.5Confident69.1Low179 Ų179115.9 Ų115.978%0.77865%0.647SS**  trans-104.899.3168.4-173.7-179.3178.4-175.80109T48T48-K50 PolarHBondContact O-N 3.01Å
51E68.2Low67.3Low159 Ų159120.2 Ų120.274%0.74366%0.657SS**  trans-67136.6170.1-162.3159.7-135.800109.8I53E51-I53 HydrophobicContact CG-CG1 4.33Å
52V54.5Low65.6Low117 Ų117125.8 Ų125.871%0.70967%0.668SS**  trans-115.787.9-178.5-178.50000107.9E54V52-E54 PolarHBondContact O-N 2.92Å
53I55.7Low63.5Low135 Ų135130 Ų13069%0.69269%0.686SS**  trans-76.9100.9175.3-55.7175.1000107.7E51 V55E51-I53 HydrophobicContact CG-CG1 4.33Å; I53-V55 HydrophobicContact CG2-CG2 4.33Å; I53-V55 PolarHBondContact O-N 3.48Å
54E43.5Very low62Low183 Ų183126.7 Ų126.786%0.85568%0.682SS**  trans-81.6102.8177.2-170.1155.6-126.400109.8V52 G56V52-E54 PolarHBondContact O-N 2.92Å; E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 3.32Å
55V45Very low60.4Low121 Ų121133.1 Ų133.173%0.73370%0.697SS**  trans-77.479.8-175.4-175.20000110.4I53 K57I53-V55 HydrophobicContact CG2-CG2 4.33Å; I53-V55 PolarHBondContact O-N 3.48Å; V55-K57 PolarHBondContact O-N 2.95Å; V55-K57 VanDerWaalsContact O-N 3.14Å
56G44.2Very low58.6Low58 Ų58134 Ų13460%0.59871%0.713SS**  trans-67102170.600000111.3E54 N58E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 3.32Å; G56-N58 PolarHBondContact O-N 3.44Å
57K42.6Very low56.9Low182 Ų182135.5 Ų135.579%0.79172%0.722SS**  trans-70.3120.2166.9-68-174176.3-170.20109.5V55V55-K57 PolarHBondContact O-N 2.95Å; V55-K57 VanDerWaalsContact O-N 3.14Å
58N37Very low55Low149 Ų149139.3 Ų139.380%0.79775%0.754SS**  trans-125.6117.9162.8-62-81.9000105.9G56G56-N58 PolarHBondContact O-N 3.44Å
59D45.3Very low53.4Low155 Ų155142.9 Ų142.983%0.82977%0.77SS**  trans-85.2146.7174.8-60.2-58000109.2
60D47.8Very low52.6Low160 Ų160145 Ų14586%0.85678%0.778SS**  trans-64.7142.1-168-58.6-73.2000114.9
61L54.8Low51.6Low175 Ų175142.8 Ų142.892%0.91678%0.78SS**  trans-152115.6145.3-136.3149.1000111.4
62E56.2Low51.1Low172 Ų172141.8 Ų141.880%0.80478%0.779SS**  trans-79.9173.6-179-98.4-73.8173.400113.7
63D48.7Very low51.5Low128 Ų128141.8 Ų141.868%0.68478%0.78SS**  trans68.1106.6176.9-166.119.5000118.4K65D63-K65 PolarHBondContact OD1-N 3.15Å
64S56Low51.5Low109 Ų109142.8 Ų142.876%0.76278%0.781SS**  trans-155.171.2145.1-81.10000110S66S64-S66 PolarHBondContact O-N 2.78Å; S64-S66 PolarHBondContact O-OG 3.04Å
65K55.8Low51.7Low182 Ų182140.5 Ų140.579%0.79178%0.779SS**  trans-53.796.4179.2-176.5-179.6-179.81760112.6D63D63-K65 PolarHBondContact OD1-N 3.15Å
66S52.4Low52Low107 Ų107138.8 Ų138.875%0.74877%0.769SS**  trans-102.4110.2-177.1-60.60000110.6S64 S68S64-S66 PolarHBondContact O-N 2.78Å; S64-S66 PolarHBondContact O-OG 3.04Å; S66-S68 PolarHBondContact O-N 2.87Å
67L52.8Low52.7Low155 Ų155141.1 Ų141.181%0.81278%0.776SS**  trans-77.4109.5173.8-67.7166.9000109.4D69L67-D69 PolarHBondContact O-N 3.26Å
68S47Very low53.4Low121 Ų121140 Ų14085%0.84677%0.774SS**  trans-85.694164.656.70000109S66S66-S68 PolarHBondContact O-N 2.87Å
69D56.1Low54.9Low163 Ų163137.9 Ų137.987%0.87276%0.763SS**  trans-70.1150172-120.1-24.8000111L67L67-D69 PolarHBondContact O-N 3.26Å
70D60.8Low56.8Low136 Ų136134.6 Ų134.673%0.72774%0.742SS**  trans-80.5124.1-174.4172.722.6000112.5D72D70-D72 PolarHBondContact OD1-N 2.96Å
71T59.1Low58.8Low132 Ų132127.8 Ų127.881%0.8171%0.705SS**  trans-143.691.4143.254.20000109.4V73T71-V73 PolarHBondContact O-N 2.96Å; T71-V73 VanDerWaalsContact O-N 3.07Å
72D58.9Low60.6Low137 Ų137123.7 Ų123.773%0.73368%0.681SS**  trans-62.6106.6165.1-159.5-7000109.7D70 E74D70-D72 PolarHBondContact OD1-N 2.96Å; D72-E74 PolarHBondContact O-N 3.17Å; D72-E74 VanDerWaalsContact O-N 3.15Å
73V62.2Low62.3Low118 Ų118115.5 Ų115.572%0.71564%0.643SS**  trans-86.886.7-179.966.70000109.1T71 V75T71-V73 PolarHBondContact O-N 2.96Å; T71-V73 VanDerWaalsContact O-N 3.07Å; V73-V75 PolarHBondContact O-N 2.93Å
74E55.2Low64.4Low155 Ų155111.8 Ų111.872%0.72463%0.625SS**  trans-37.9106.5167.6-80.7-73.1176.100110.3D72 T76D72-E74 PolarHBondContact O-N 3.17Å; D72-E74 VanDerWaalsContact O-N 3.15Å; E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 2.98Å
75V48.8Very low66.1Low135 Ų135112 Ų11282%0.81861%0.614SS**  trans-72.792.1177.6175.10000106.7V73 S77V73-V75 PolarHBondContact O-N 2.93Å; V75-S77 PolarHBondContact O-N 3.42Å
76T50.5Low67.9Low85 Ų85105.7 Ų105.752%0.52159%0.592SS.*  trans-54.9132.5-179.266.90000109.5E74 E78E74-T76 VanDerWaalsContact C-N 3.29Å; E74-T76 PolarHBondContact O-N 2.98Å; T76-E78 WeakPolarHBondContact CB-OE2 3.43Å; T76-E78 PolarHBondContact O-N 3.36Å; T76-E78 PolarHBondContact OG1-OE2 3.16Å
77S58.4Low69.8Low107 Ų107106.4 Ų106.475%0.74858%0.581SS**G310 helixtrans-75.124.1-173.848.10000113.4V75V75-S77 PolarHBondContact O-N 3.42Å
78E58.5Low71.7Confident158 Ų158103 Ų10374%0.73856%0.56SS**G310 helixtrans-88.6-18.2-160.9-65.4173.6143.900114.1T76T76-E78 WeakPolarHBondContact CB-OE2 3.43Å; T76-E78 PolarHBondContact O-N 3.36Å; T76-E78 PolarHBondContact OG1-OE2 3.16Å
79D67.5Low73.9Confident105 Ų105101.8 Ų101.856%0.56154%0.54SS*.G310 helixtrans-96.38.7-179.9-160.515.8000113W81 P92D79-W81 PolarHBondContact O-N 3.21Å; D79-P92 HydrophobicContact CB-CB 4.25Å; D79-P92 HydrophobicContact CB-CG 3.89Å; D79-P92 VanDerWaalsContact CG-CG 3.48Å; D79-P92 VanDerWaalsContact O-CB 3.3Å; D79-P92 WeakPolarHBondContact O-CB 3.23Å; D79-P92 VanDerWaalsContact O-CD 3.26Å; D79-P92 WeakPolarHBondContact O-CD 3.36Å; D79-P92 WeakPolarHBondContact O-CG 3.37Å; D79-P92 WeakPolarHBondContact OD2-CB 3.44Å; D79-P92 WeakPolarHBondContact OD2-CG 3.36Å
80E86.4Confident75.4Confident86 Ų8694.1 Ų94.140%0.40250%0.499SS..PPolyproline II helixtrans-70.5126.8172.9-71-139.6117.600112.4F89 N90E80-F89 HydrophobicContact CB-CB 4.14Å; E80-F89 HydrophobicContact CB-CD1 4.26Å; E80-F89 WeakPolarHBondContact OE2-CB 3.25Å; E80-N90 CarbonylContact C-O 3.57Å; E80-N90 WeakPolarHBondContact CA-O 3.41Å
81W89Confident76.8Confident17 Ų1790.1 Ų90.16%0.06448%0.482CS..EExtended strand (participates in β ladder)trans-97.613017770.2-84.1000112.6D79 C83 F89 N90 S91 K94 C97 R104D79-W81 PolarHBondContact O-N 3.21Å; W81-C83 HydrophobicContact CZ3-CB 4.26Å; W81-F89 CarbonylContact O-C 3.59Å; W81-F89 WeakPolarHBondContact O-CA 3.05Å; W81-N90 HydrophobicContact CD2-CB 4.3Å; W81-N90 HydrophobicContact CZ2-CB 4.01Å; W81-N90 PolarHBondContact N-O 3.47Å; W81-N90 PolarHBondContact O-N 3.35Å; W81-N90 PolarHBondContact O-ND2 3.23Å; W81-S91 PolarHBondContact NE1-O 3.36Å; W81-S91 VanDerWaalsContact NE1-O 3.12Å; W81-K94 WeakPolarHBondContact CZ2-O 3.47Å; W81-K94 PolarHBondContact NE1-O 3.1Å; W81-C97 HydrophobicContact CH2-CB 4.11Å; W81-R104 HydrophobicContact CD2-CB 4.02Å; W81-R104 HydrophobicContact CD2-CG 3.77Å; W81-R104 HydrophobicContact CE3-CB 3.83Å; W81-R104 HydrophobicContact CE3-CG 3.67Å; W81-R104 HydrophobicContact CG-CG 4.27Å; W81-R104 HydrophobicContact CH2-CB 3.66Å; W81-R104 HydrophobicContact CH2-CG 4.43Å; W81-R104 HydrophobicContact CZ2-CB 3.84Å; W81-R104 HydrophobicContact CZ3-CB 3.64Å; W81-R104 HydrophobicContact CZ3-CG 4.01Å
82Q92.8Very high78Confident90 Ų9085.7 Ų85.742%0.42146%0.455SS..EExtended strand (participates in β ladder)trans-76.8127.6177.7-155.1-173.355.600111.6T84 K87 F89Q82-T84 PolarHBondContact O-N 3.42Å; Q82-K87 WeakPolarHBondContact CG-O 3.32Å; Q82-K87 PolarHBondContact NE2-O 3.44Å; Q82-F89 HydrophobicContact CB-CD1 3.98Å; Q82-F89 HydrophobicContact CB-CE1 3.87Å; Q82-F89 HydrophobicContact CB-CZ 4.38Å; Q82-F89 HydrophobicContact CG-CD1 4.2Å; Q82-F89 HydrophobicContact CG-CD2 4.44Å; Q82-F89 HydrophobicContact CG-CE1 4.05Å; Q82-F89 HydrophobicContact CG-CE2 4.29Å; Q82-F89 HydrophobicContact CG-CG 4.4Å; Q82-F89 HydrophobicContact CG-CZ 4.09Å
83C92.5Very high79.2Confident0 Ų083.5 Ų83.50%045%0.45CS..PPolyproline II helixtrans-65.7127.6172.8178.50000110.6W81 E85 K87 K88 C97W81-C83 HydrophobicContact CZ3-CB 4.26Å; C83-E85 VanDerWaalsContact C-N 3.26Å; C83-E85 PolarHBondContact O-N 2.73Å; C83-E85 PolarHBondContact SG-N 2.93Å; C83-K87 WeakPolarHBondContact O-CA 3.29Å; C83-K87 PolarHBondContact O-N 3.19Å; C83-K88 WeakPolarHBondContact CB-O 3.39Å; C83-K88 PolarHBondContact N-O 3.06Å; C83-C97 HydrophobicContact CB-CB 3.71Å; C83-C97 VanDerWaalsContact CB-SG 3.58Å; C83-C97 VanDerWaalsContact SG-CB 3.54Å
84T91.4Very high80.3Confident49 Ų4982.8 Ų82.830%0.30144%0.438SS..THydrogen-bonded Turntrans-66-30.1-178.852.40000113.4Q82 K87 K105Q82-T84 PolarHBondContact O-N 3.42Å; T84-K87 PolarHBondContact O-NZ 2.86Å; T84-K105 HydrophobicContact CG2-CD 3.97Å; T84-K105 HydrophobicContact CG2-CG 4.35Å; T84-K105 WeakPolarHBondContact OG1-CE 3.49Å; T84-K105 PolarHBondContact OG1-NZ 3.07Å; T84-K105 VanDerWaalsContact OG1-NZ 3.1Å
85E92.8Very high81.9Confident115 Ų11582.7 Ų82.754%0.53743%0.431SS..THydrogen-bonded Turntrans-85.7-47.5-174.2-46.8-49116.300112.5C83 A102 K105C83-E85 VanDerWaalsContact C-N 3.26Å; C83-E85 PolarHBondContact O-N 2.73Å; C83-E85 PolarHBondContact SG-N 2.93Å; E85-A102 HydrophobicContact CB-CB 4.2Å; E85-A102 HydrophobicContact CG-CB 3.6Å; E85-K105 WeakPolarHBondContact OE1-CE 3.31Å; E85-K105 IonicContact OE1-NZ 2.81Å; E85-K105 PolarHBondContact OE1-NZ 3.31Å
86C93Very high84Confident49 Ų4980.5 Ų80.533%0.33141%0.408SS..THydrogen-bonded Turntrans-114.57.4-176780000115.1K88 C97 C100C86-K88 PolarHBondContact O-N 2.94Å; C86-C97 PolarHBondContact SG-SG 2.85Å; C86-C100 HydrophobicContact CB-CB 4.19Å; C86-C100 PolarHBondContact SG-SG 2.66Å
87K92.1Very high86Confident121 Ų12176.5 Ų76.553%0.52638%0.384SS..  trans56.33.2178.1-50.9-50.6-173.8-1640117.1Q82 C83 T84 F89Q82-K87 WeakPolarHBondContact CG-O 3.32Å; Q82-K87 PolarHBondContact NE2-O 3.44Å; C83-K87 WeakPolarHBondContact O-CA 3.29Å; C83-K87 PolarHBondContact O-N 3.19Å; T84-K87 PolarHBondContact O-NZ 2.86Å; K87-F89 PolarHBondContact O-N 3.13Å
88K92.4Very high87.6Confident85 Ų8576.5 Ų76.537%0.3737%0.37SS..  trans-68.5129.5172-179.261.7-131.7-173.40109.9C83 C86 N90 F98 R99C83-K88 WeakPolarHBondContact CB-O 3.39Å; C83-K88 PolarHBondContact N-O 3.06Å; C86-K88 PolarHBondContact O-N 2.94Å; K88-N90 PolarHBondContact O-ND2 3.05Å; K88-F98 HydrophobicContact CD-CE1 4.13Å; K88-F98 HydrophobicContact CD-CZ 3.83Å; K88-F98 HydrophobicContact CG-CE1 3.77Å; K88-F98 HydrophobicContact CG-CZ 3.78Å; K88-R99 HydrophobicContact CB-CB 4.25Å; K88-R99 HydrophobicContact CG-CB 4.2Å
89F92.6Very high89.2Confident95 Ų9577.3 Ų77.342%0.41737%0.367SS..EExtended strand (participates in β ladder)trans-68.2144.4167.8-66.5-88.5000111.6E80 W81 Q82 K87 F98E80-F89 HydrophobicContact CB-CB 4.14Å; E80-F89 HydrophobicContact CB-CD1 4.26Å; E80-F89 WeakPolarHBondContact OE2-CB 3.25Å; W81-F89 CarbonylContact O-C 3.59Å; W81-F89 WeakPolarHBondContact O-CA 3.05Å; Q82-F89 HydrophobicContact CB-CD1 3.98Å; Q82-F89 HydrophobicContact CB-CE1 3.87Å; Q82-F89 HydrophobicContact CB-CZ 4.38Å; Q82-F89 HydrophobicContact CG-CD1 4.2Å; Q82-F89 HydrophobicContact CG-CD2 4.44Å; Q82-F89 HydrophobicContact CG-CE1 4.05Å; Q82-F89 HydrophobicContact CG-CE2 4.29Å; Q82-F89 HydrophobicContact CG-CG 4.4Å; Q82-F89 HydrophobicContact CG-CZ 4.09Å; K87-F89 PolarHBondContact O-N 3.13Å; F89-F98 WeakPolarHBondContact O-CE1 3.46Å
90N89.4Confident90.5Very high1 Ų174.8 Ų74.81%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-141.9150.7-174.7-42.1-96.2000109.7E80 W81 K88 C97 F98E80-N90 CarbonylContact C-O 3.57Å; E80-N90 WeakPolarHBondContact CA-O 3.41Å; W81-N90 HydrophobicContact CD2-CB 4.3Å; W81-N90 HydrophobicContact CZ2-CB 4.01Å; W81-N90 PolarHBondContact N-O 3.47Å; W81-N90 PolarHBondContact O-N 3.35Å; W81-N90 PolarHBondContact O-ND2 3.23Å; K88-N90 PolarHBondContact O-ND2 3.05Å; N90-C97 VanDerWaalsContact OD1-CA 3.26Å; N90-C97 WeakPolarHBondContact OD1-CA 3.2Å; N90-C97 PolarHBondContact OD1-SG 3.15Å; N90-F98 HydrophobicContact CB-CD1 4.34Å; N90-F98 VanDerWaalsContact OD1-CD1 3.29Å; N90-F98 WeakPolarHBondContact OD1-CD1 3.48Å; N90-F98 PolarHBondContact OD1-N 3.5Å; N90-F98 VanDerWaalsContact OD1-N 3.1Å
91S88.7Confident90.8Very high53 Ų5379.2 Ų79.237%0.37137%0.37SS..  trans-60.2141.7178.9-36.40000112.3W81 S93 K94W81-S91 PolarHBondContact NE1-O 3.36Å; W81-S91 VanDerWaalsContact NE1-O 3.12Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-K94 PolarHBondContact O-N 3.17Å
92P85.6Confident91Very high38 Ų3879.6 Ų79.625%0.24738%0.377CS..THydrogen-bonded Turntrans-59.4-31.9-177.623.9-34.7000113.1D79 K94D79-P92 HydrophobicContact CB-CB 4.25Å; D79-P92 HydrophobicContact CB-CG 3.89Å; D79-P92 VanDerWaalsContact CG-CG 3.48Å; D79-P92 VanDerWaalsContact O-CB 3.3Å; D79-P92 WeakPolarHBondContact O-CB 3.23Å; D79-P92 VanDerWaalsContact O-CD 3.26Å; D79-P92 WeakPolarHBondContact O-CD 3.36Å; D79-P92 WeakPolarHBondContact O-CG 3.37Å; D79-P92 WeakPolarHBondContact OD2-CB 3.44Å; D79-P92 WeakPolarHBondContact OD2-CG 3.36Å; P92-K94 PolarHBondContact O-N 3.24Å
93S83.8Confident90.9Very high91 Ų9181.4 Ų81.464%0.63639%0.388SS*.THydrogen-bonded Turntrans-66.6-8.9177.361.60000114.6S91S91-S93 PolarHBondContact O-N 3.48Å
94K84.9Confident90.8Very high104 Ų10485 Ų8545%0.45240%0.402SS..  trans-110.4129.8-178.5-51.6-60.2179.6177.10110.8W81 S91 P92W81-K94 WeakPolarHBondContact CZ2-O 3.47Å; W81-K94 PolarHBondContact NE1-O 3.1Å; S91-K94 PolarHBondContact O-N 3.17Å; P92-K94 PolarHBondContact O-N 3.24Å
95R88.8Confident90.2Very high152 Ų15288.4 Ų88.457%0.57441%0.413SS*.SBendtrans-86-13.2-177-59.2-179.1-178.5140.43.4114.4L103 R104 W107R95-L103 WeakPolarHBondContact O-CA 3.12Å; R95-R104 PolarHBondContact O-N 2.86Å; R95-W107 VanDerWaalsContact CD-NE1 3.3Å; R95-W107 HydrophobicContact CG-CD2 4.15Å; R95-W107 HydrophobicContact CG-CG 4.42Å; R95-W107 HydrophobicContact CG-CZ2 4.02Å
96Y92.4Very high89.1Confident90 Ų9089.1 Ų89.135%0.35342%0.42SS..BIsolated β-bridgetrans-126.9148.7-178.758.1-89.9000109F98 W101 A102Y96-F98 PolarHBondContact O-N 3.45Å; Y96-W101 HydrophobicContact CD2-CD2 4.09Å; Y96-W101 AromaticContact CD2-CE3 3.47Å; Y96-W101 HydrophobicContact CD2-CE3 3.47Å; Y96-W101 VanDerWaalsContact CD2-CE3 3.47Å; Y96-W101 AromaticContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CE2-CD2 4.26Å; Y96-W101 AromaticContact CE2-CE3 3.53Å; Y96-W101 HydrophobicContact CE2-CE3 3.53Å; Y96-W101 AromaticContact CE2-CH2 3.91Å; Y96-W101 HydrophobicContact CE2-CH2 3.91Å; Y96-W101 AromaticContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CG-CE3 4.16Å; Y96-W101 AromaticContact CZ-CZ3 3.74Å; Y96-A102 CarbonylContact C-O 3.55Å; Y96-A102 WeakPolarHBondContact CA-O 3.15Å
97C93.3Very high87.8Confident0 Ų092.3 Ų92.30%043%0.425CS..  trans-68.6130.4176.4174.40000110.1W81 C83 C86 N90 R99 W101 A102W81-C97 HydrophobicContact CH2-CB 4.11Å; C83-C97 HydrophobicContact CB-CB 3.71Å; C83-C97 VanDerWaalsContact CB-SG 3.58Å; C83-C97 VanDerWaalsContact SG-CB 3.54Å; C86-C97 PolarHBondContact SG-SG 2.85Å; N90-C97 VanDerWaalsContact OD1-CA 3.26Å; N90-C97 WeakPolarHBondContact OD1-CA 3.2Å; N90-C97 PolarHBondContact OD1-SG 3.15Å; C97-R99 PolarHBondContact O-N 2.75Å; C97-R99 PolarHBondContact SG-N 2.86Å; C97-R99 VanDerWaalsContact SG-N 3.39Å; C97-W101 WeakPolarHBondContact O-CA 3.3Å; C97-W101 PolarHBondContact O-N 2.96Å; C97-A102 PolarHBondContact N-O 3.47Å
98F91.3Very high86.3Confident107 Ų10795.3 Ų95.347%0.46943%0.434SS..THydrogen-bonded Turntrans-69.9-18-178.376.4-98.9000113.3K88 F89 N90 Y96K88-F98 HydrophobicContact CD-CE1 4.13Å; K88-F98 HydrophobicContact CD-CZ 3.83Å; K88-F98 HydrophobicContact CG-CE1 3.77Å; K88-F98 HydrophobicContact CG-CZ 3.78Å; F89-F98 WeakPolarHBondContact O-CE1 3.46Å; N90-F98 HydrophobicContact CB-CD1 4.34Å; N90-F98 VanDerWaalsContact OD1-CD1 3.29Å; N90-F98 WeakPolarHBondContact OD1-CD1 3.48Å; N90-F98 PolarHBondContact OD1-N 3.5Å; N90-F98 VanDerWaalsContact OD1-N 3.1Å; Y96-F98 PolarHBondContact O-N 3.45Å
99R93.1Very high84.6Confident176 Ų17694.7 Ų94.766%0.66444%0.441SS*.THydrogen-bonded Turntrans-88.2-39.5-179.8-1806578-156.96.3113.4K88 C97K88-R99 HydrophobicContact CB-CB 4.25Å; K88-R99 HydrophobicContact CG-CB 4.2Å; C97-R99 PolarHBondContact O-N 2.75Å; C97-R99 PolarHBondContact SG-N 2.86Å; C97-R99 VanDerWaalsContact SG-N 3.39Å
100C94Very high82.6Confident52 Ų5298 Ų9835%0.35146%0.463SS..THydrogen-bonded Turntrans-129.53.6-173.668.70000114.9C86 A102C86-C100 HydrophobicContact CB-CB 4.19Å; C86-C100 PolarHBondContact SG-SG 2.66Å; C100-A102 PolarHBondContact O-N 3.15Å
101W93.6Very high80.5Confident179 Ų179102 Ų10268%0.67849%0.49SS*.  trans60.61.1179.8-59.781.3000116.5Y96 C97 L103Y96-W101 HydrophobicContact CD2-CD2 4.09Å; Y96-W101 AromaticContact CD2-CE3 3.47Å; Y96-W101 HydrophobicContact CD2-CE3 3.47Å; Y96-W101 VanDerWaalsContact CD2-CE3 3.47Å; Y96-W101 AromaticContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CD2-CZ3 3.8Å; Y96-W101 HydrophobicContact CE2-CD2 4.26Å; Y96-W101 AromaticContact CE2-CE3 3.53Å; Y96-W101 HydrophobicContact CE2-CE3 3.53Å; Y96-W101 AromaticContact CE2-CH2 3.91Å; Y96-W101 HydrophobicContact CE2-CH2 3.91Å; Y96-W101 AromaticContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CE2-CZ3 3.33Å; Y96-W101 HydrophobicContact CG-CE3 4.16Å; Y96-W101 AromaticContact CZ-CZ3 3.74Å; C97-W101 WeakPolarHBondContact O-CA 3.3Å; C97-W101 PolarHBondContact O-N 2.96Å; W101-L103 PolarHBondContact O-N 2.85Å
102A92.8Very high78.8Confident25 Ų25104.3 Ų104.321%0.20751%0.506CS..PPolyproline II helixtrans-59.1136172.400000111.5E85 Y96 C97 C100E85-A102 HydrophobicContact CB-CB 4.2Å; E85-A102 HydrophobicContact CG-CB 3.6Å; Y96-A102 CarbonylContact C-O 3.55Å; Y96-A102 WeakPolarHBondContact CA-O 3.15Å; C97-A102 PolarHBondContact N-O 3.47Å; C100-A102 PolarHBondContact O-N 3.15Å
103L90.5Very high77.1Confident127 Ų127112.1 Ų112.167%0.66554%0.536SS*.BIsolated β-bridgetrans-68.9147.6-179.5-68.9168.7000112.1R95 W101 K105R95-L103 WeakPolarHBondContact O-CA 3.12Å; W101-L103 PolarHBondContact O-N 2.85Å; L103-K105 PolarHBondContact O-N 3.13Å
104R89.5Confident75.1Confident76 Ų76114.4 Ų114.429%0.28754%0.541SS..PPolyproline II helixtrans-62.9119.9168-175.4171.7177.81652.2108.7W81 R95 W107W81-R104 HydrophobicContact CD2-CB 4.02Å; W81-R104 HydrophobicContact CD2-CG 3.77Å; W81-R104 HydrophobicContact CE3-CB 3.83Å; W81-R104 HydrophobicContact CE3-CG 3.67Å; W81-R104 HydrophobicContact CG-CG 4.27Å; W81-R104 HydrophobicContact CH2-CB 3.66Å; W81-R104 HydrophobicContact CH2-CG 4.43Å; W81-R104 HydrophobicContact CZ2-CB 3.84Å; W81-R104 HydrophobicContact CZ3-CB 3.64Å; W81-R104 HydrophobicContact CZ3-CG 4.01Å; R95-R104 PolarHBondContact O-N 2.86Å; R104-W107 HydrophobicContact CB-CB 4.14Å; R104-W107 HydrophobicContact CG-CB 4.36Å; R104-W107 WeakPolarHBondContact O-CB 3.32Å
105K79.7Confident73.4Confident121 Ų121115.8 Ų115.853%0.52656%0.558SS.*THydrogen-bonded Turntrans-60.6147.6174-66.1-173.3-174.7157.60109.6T84 E85 L103 W107T84-K105 HydrophobicContact CG2-CD 3.97Å; T84-K105 HydrophobicContact CG2-CG 4.35Å; T84-K105 WeakPolarHBondContact OG1-CE 3.49Å; T84-K105 PolarHBondContact OG1-NZ 3.07Å; T84-K105 VanDerWaalsContact OG1-NZ 3.1Å; E85-K105 WeakPolarHBondContact OE1-CE 3.31Å; E85-K105 IonicContact OE1-NZ 2.81Å; E85-K105 PolarHBondContact OE1-NZ 3.31Å; L103-K105 PolarHBondContact O-N 3.13Å; K105-W107 PolarHBondContact O-N 3.38Å
106D68.9Low71.4Confident129 Ų129116.3 Ų116.369%0.6957%0.567SS**THydrogen-bonded Turntrans61.31.9-179.9-56.2-73.9000117.3Y108 S109D106-Y108 PolarHBondContact O-N 2.95Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; D106-S109 WeakPolarHBondContact CA-OG 3.35Å; D106-S109 PolarHBondContact O-N 3.26Å; D106-S109 PolarHBondContact OD1-OG 3.46Å
107W67.4Low69.3Low116 Ų116117.5 Ų117.544%0.43959%0.588SS.*THydrogen-bonded Turntrans-60.7-16.7169-176.8-85.1000113.5R95 R104 K105R95-W107 VanDerWaalsContact CD-NE1 3.3Å; R95-W107 HydrophobicContact CG-CD2 4.15Å; R95-W107 HydrophobicContact CG-CG 4.42Å; R95-W107 HydrophobicContact CG-CZ2 4.02Å; R104-W107 HydrophobicContact CB-CB 4.14Å; R104-W107 HydrophobicContact CG-CB 4.36Å; R104-W107 WeakPolarHBondContact O-CB 3.32Å; K105-W107 PolarHBondContact O-N 3.38Å
108Y59.9Low67.2Low184 Ų184124.6 Ų124.672%0.72263%0.625SS**THydrogen-bonded Turntrans-128.122.8-179.4-139.6-92.8000113.3D106 C111D106-Y108 PolarHBondContact O-N 2.95Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; Y108-C111 HydrophobicContact CE1-CB 4.05Å
109S57.4Low65.2Low72 Ų72124.7 Ų124.750%0.50364%0.639SS.*THydrogen-bonded Turntrans-72.4137.1169-64.40000108.9D106D106-S109 WeakPolarHBondContact CA-OG 3.35Å; D106-S109 PolarHBondContact O-N 3.26Å; D106-S109 PolarHBondContact OD1-OG 3.46Å
110D50.2Low63Low164 Ų164121.4 Ų121.488%0.87764%0.639SS**THydrogen-bonded Turntrans65.247-175.7-62.6-20.6000118.6S112D110-S112 PolarHBondContact O-N 3.27Å
111C45.4Very low60.5Low85 Ų85123.3 Ų123.357%0.57465%0.653SS**  -75.899.3127.4-87.10000108.7Y108 K113Y108-C111 HydrophobicContact CE1-CB 4.05Å; C111-K113 PolarHBondContact O-N 2.95Å
112S51.7Low58.4Low103 Ų103122.9 Ų122.972%0.7266%0.664SS**  trans-55.1136.1169.955.50000109.7D110 L114D110-S112 PolarHBondContact O-N 3.27Å; S112-L114 PolarHBondContact O-N 2.97Å
113K51.4Low56.3Low201 Ų201128.6 Ų128.687%0.87469%0.69SS**  trans-62.899.3-168.3-63.5176.9-175.3174.70110.5C111 T115C111-K113 PolarHBondContact O-N 2.95Å; K113-T115 PolarHBondContact O-N 3.32Å; K113-T115 VanDerWaalsContact O-N 3.14Å
114L41.5Very low54.1Low140 Ų140128.6 Ų128.673%0.73370%0.695SS**  trans-55.8119.7175.7-83.3167.3000109.7S112 H116S112-L114 PolarHBondContact O-N 2.97Å; L114-H116 PolarHBondContact O-N 2.98Å
115T48.7Very low51.6Low132 Ų132129.8 Ų129.881%0.8172%0.721SS**THydrogen-bonded Turntrans-75.537.4-169.520.30000114K113K113-T115 PolarHBondContact O-N 3.32Å; K113-T115 VanDerWaalsContact O-N 3.14Å
116H47Very low49.9Very low163 Ų163131.3 Ų131.376%0.75573%0.733SS**THydrogen-bonded Turntrans-126.61-179.4-63.1-54000114L114 L118L114-H116 PolarHBondContact O-N 2.98Å; H116-L118 VanDerWaalsContact C-N 3.29Å; H116-L118 PolarHBondContact O-N 3.38Å
117S48Very low48.8Very low115 Ų115130.9 Ų130.980%0.80474%0.737SS**SBendtrans-82-1.2174.2-570000114.3
118L48.6Very low47.8Very low149 Ų149134.5 Ų134.578%0.7876%0.759SS**  trans-101.573.8171.1-67.1-178.5000110.2H116 T120H116-L118 VanDerWaalsContact C-N 3.29Å; H116-L118 PolarHBondContact O-N 3.38Å; L118-T120 PolarHBondContact O-N 3.31Å; L118-T120 VanDerWaalsContact O-N 3.12Å
119S49.1Very low46.8Very low110 Ų110135 Ų13577%0.76977%0.765SS**  trans-8156.5160.7-178.10000110S121S119-S121 PolarHBondContact O-N 2.89Å
120T46.9Very low46.5Very low106 Ų106140.5 Ų140.565%0.6578%0.783SS**  trans-70112.7163.843.10000107.8L118 D122L118-T120 PolarHBondContact O-N 3.31Å; L118-T120 VanDerWaalsContact O-N 3.12Å; T120-D122 PolarHBondContact O-N 3.29Å
121S42.5Very low46.3Very low92 Ų92140 Ų14064%0.64378%0.78SS**  trans-65115.1-179.7-540000110.9S119 I123S119-S121 PolarHBondContact O-N 2.89Å; S121-I123 PolarHBondContact O-N 3.08Å
122D50.1Low46.6Very low170 Ų170144.3 Ų144.391%0.90979%0.792SS**  trans-6597.3166.7-78.3-46.1000109.3T120T120-D122 PolarHBondContact O-N 3.29Å
123I46.8Very low46.1Very low146 Ų146143.2 Ų143.275%0.74980%0.796SS**  trans-122.3110.3171.3-59.3179.6000107.2S121 A125S121-I123 PolarHBondContact O-N 3.08Å; I123-A125 PolarHBondContact O-N 2.96Å
124T44.9Very low45.7Very low127 Ų127140.8 Ų140.878%0.77979%0.793SS**  trans-58.8128.9176.2-37.40000109.9I126T124-I126 PolarHBondContact O-N 2.87Å
125A38.2Very low46.4Very low100 Ų100141.8 Ų141.883%0.82680%0.799SS**  trans-61.6121.5-178.500000111.5I123I123-A125 PolarHBondContact O-N 2.96Å
126I43.8Very low46.7Very low154 Ų154141.1 Ų141.179%0.7980%0.795SS**  trans-108.4133.3167.1-61.3177000106.7T124T124-I126 PolarHBondContact O-N 2.87Å
127P46.1Very low47.5Very low120 Ų120138.9 Ų138.978%0.77979%0.794SS**  trans-60.3152.9-176.5-25.935.5000114.4
128E46.2Very low47.9Very low191 Ų191139.8 Ų139.889%0.89379%0.79SS**  trans-58.2139.5-173.5-61.2164.5142.900113.1
129K39.1Very low47.9Very low196 Ų196137.9 Ų137.985%0.85279%0.788SS**  trans-137.1113.1153-74.8-161173.7-171.10109.9
130E50.9Low48.1Very low186 Ų186144.4 Ų144.487%0.86980%0.796SS**  trans-55.3135168.7-54.1169.2141.100110
131N45.8Very low48Very low154 Ų154149.1 Ų149.182%0.82480%0.802SS**  trans-159.4159.9159.7-89.2-60000109
132E50.4Low48.2Very low176 Ų176151 Ų15182%0.82281%0.81SS**  trans-54.6137.9-158.6-68160.7109.100116.3N134E132-N134 PolarHBondContact O-N 2.89Å
133G43Very low48.3Very low79 Ų79151.2 Ų151.281%0.81481%0.809SS**  trans-71.9120174.600000111.7D135G133-D135 PolarHBondContact O-N 3.15Å
134N41.3Very low48.2Very low151 Ų151149.5 Ų149.581%0.80781%0.81SS**  trans-78.6106173.7-69.5-91.3000108.8E132 V136E132-N134 PolarHBondContact O-N 2.89Å; N134-V136 PolarHBondContact O-N 2.93Å
135D56.3Low48.1Very low161 Ų161147.5 Ų147.586%0.86181%0.807SS**  trans-69.4113.4-178.6-163.916.8000110.7G133G133-D135 PolarHBondContact O-N 3.15Å
136V56.5Low48.5Very low118 Ų118148.6 Ų148.672%0.71581%0.805SS**  trans-83.8122.6-175.7178.60000108.4N134 D138N134-V136 PolarHBondContact O-N 2.93Å; V136-D138 PolarHBondContact O-N 3.14Å
137P63.4Low48.4Very low115 Ų115146.8 Ų146.875%0.74780%0.801SS**  trans-63.8109.3-17324.8-34.4000111.5C139P137-C139 PolarHBondContact O-N 3.38Å
138D55.7Low48.2Very low134 Ų134147.2 Ų147.272%0.71780%0.801SS**  trans-57.3120.3-172.5-166.621.2000111.2V136 R140V136-D138 PolarHBondContact O-N 3.14Å; D138-R140 PolarHBondContact O-N 2.82Å; D138-R140 VanDerWaalsContact O-N 3.15Å
139C48Very low48.1Very low109 Ų109148 Ų14874%0.73680%0.796SS**  trans-65.2118.1-171.7-69.50000110.3P137 R141P137-C139 PolarHBondContact O-N 3.38Å; C139-R141 PolarHBondContact O-N 3.34Å
140R53.8Low48.3Very low247 Ų247144.1 Ų144.193%0.93279%0.791SS**  trans-50.1104.5-175.4-69.8-173.2175.1-147.6-1.6112.2D138 T142D138-R140 PolarHBondContact O-N 2.82Å; D138-R140 VanDerWaalsContact O-N 3.15Å; R140-T142 PolarHBondContact O-N 2.8Å
141R45.9Very low47.9Very low206 Ų206144.9 Ų144.978%0.77779%0.791SS**  trans-54.8135172.8-78.3-177.8167.991.2-5110.7C139C139-R141 PolarHBondContact O-N 3.34Å
142T45.3Very low47.5Very low132 Ų132145 Ų14581%0.8179%0.792SS**  trans-67.1137.9167.237.80000110.4R140 S144R140-T142 PolarHBondContact O-N 2.8Å; T142-S144 PolarHBondContact O-N 3.37Å
143I53Low47.1Very low174 Ų174141.2 Ų141.289%0.89279%0.791SS**SBendtrans-92.395-171.1-56174.5000110
144S45Very low46.6Very low109 Ų109148.3 Ų148.376%0.76280%0.795SS**  trans-156.429.317152.90000114.5T142T142-S144 PolarHBondContact O-N 3.37Å
145A42.2Very low46.4Very low86 Ų86147.6 Ų147.671%0.71179%0.789SS**SBendtrans-116124.6172.900000110.8V147A145-V147 PolarHBondContact O-N 3Å
146P45.8Very low45.5Very low123 Ų123149 Ų14980%0.79979%0.788SS**  trans-65.6129.2178-22.534.1000112.7V148P146-V148 PolarHBondContact O-N 3.31Å; P146-V148 VanDerWaalsContact O-N 3.1Å
147V41.8Very low44.3Very low115 Ų115153.4 Ų153.470%0.69780%0.797SS**  trans-80.792178.2-177.50000110.1A145 R149A145-V147 PolarHBondContact O-N 3Å; V147-R149 HydrophobicContact CG1-CG 4.33Å; V147-R149 PolarHBondContact O-N 3.12Å
148V42.8Very low42.7Very low130 Ų130154.7 Ų154.779%0.78879%0.793SS**  trans-69.8111.1162.6-179.80000107.9P146 P150P146-V148 PolarHBondContact O-N 3.31Å; P146-V148 VanDerWaalsContact O-N 3.1Å; V148-P150 WeakPolarHBondContact O-CD 3.29Å
149R44.6Very low41.4Very low208 Ų208155.1 Ų155.179%0.78580%0.796SS**  trans-79.4121.3172.1-72.8-73.3-176.7160.2-1.5109.4V147V147-R149 HydrophobicContact CG1-CG 4.33Å; V147-R149 PolarHBondContact O-N 3.12Å
150P42.2Very low40.7Very low114 Ų114155.5 Ų155.574%0.7480%0.8SS**  trans-60.2151.2158.3-16.831.6000109.5V148V148-P150 WeakPolarHBondContact O-CD 3.29Å
151K44.1Very low39.9Very low201 Ų201152.6 Ų152.687%0.87479%0.794SS**  trans-140123.7171.5-165.7171.9-175.1178.30108.5
152D36.9Very low39.1Very low156 Ų156150.8 Ų150.883%0.83480%0.799SS**  trans-72.7164.6-164.4-60.1-76.5000114.7
153A40.6Very low38.4Very low98 Ų98153 Ų15381%0.8180%0.797SS**  trans-78.4162.1-163.900000115.2
154Y33.8Very low37.3Very low228 Ų228152 Ų15289%0.89479%0.794SS**  trans-131.3161.3160.6-167.5-99.5000110.4
155I37.8Very low37.5Very low136 Ų136151.8 Ų151.870%0.69779%0.79SS**  trans-113.6143.2-151.5-75.3178000114.7
156K36.1Very low37Very low189 Ų189153.4 Ų153.482%0.82280%0.795SS**  trans54126.6162.6-85.3-173.4171.6-169.40120.1
157K30.8Very low36.3Very low212 Ų212154.8 Ų154.892%0.92280%0.795SS**  -146.8-168.9102.6-147.9163.7177.9177.60110.8
158E31.2Very low36.2Very low141 Ų141154 Ų15466%0.65979%0.794SS**  trans-143.4146-147161.8-174.116900112.2
159N28.7Very low36Very low144 Ų144153.6 Ų153.677%0.7779%0.792SS**  trans63.8159.3173.8-63.6-33.6000115.4
160S33.4Very low35.5Very low117 Ų117151.3 Ų151.382%0.81879%0.79SS**  cis-143.9-167.216.865.20000114
161K36.6Very low34.8Very low186 Ų186154.8 Ų154.881%0.80979%0.794SS**  trans-93.9151.9-173.9-40.4165.3-175.71750112.1
162L29.5Very low34.7Very low168 Ų168151.5 Ų151.588%0.8879%0.786SS**  -166.5-173.8127.9-133.664.8000114
163F29.1Very low34.4Very low178 Ų178151.3 Ų151.378%0.78178%0.784SS**  trans-116.7138.5-162.2-74.2-102.3000113.4
164D29.6Very low34.7Very low153 Ų153152.9 Ų152.982%0.81878%0.779SS**  trans59.2-169.4130.3-12016.8000119.1
165P49.4Very low34.7Very low104 Ų104146.5 Ų146.568%0.67577%0.773SS**  -132.4167-81.235.2-16.3000117.2
166C31.8Very low34.5Very low121 Ų121147.9 Ų147.982%0.81878%0.776SS**  trans-173.5142.7151.4-107.40000109.9
167N31Very low34.5Very low152 Ų152144.2 Ų144.281%0.81377%0.774SS**  cis78.913732.5-154.629.6000112.9
168S41.3Very low35Very low97 Ų97140.1 Ų140.168%0.67877%0.773SS**  cis-141.7-173.62.449.40000108.4
169V36.8Very low35.3Very low122 Ų122142.2 Ų142.274%0.73978%0.783SS**  cis-140.3175.412.6-67.90000108.6
170E35.5Very low35.8Very low160 Ų160140.6 Ų140.675%0.74878%0.782SS**  cis87.294.115-67.4-65.3175.300120.1
171F26.7Very low36.1Very low187 Ų187143.1 Ų143.182%0.8278%0.781SS**  trans-177.9123.2147.9-122.5-103.7000107.4
172L41.2Very low35.9Very low132 Ų132140.4 Ų140.469%0.69177%0.772SS**  65.7137.562-57.6-179.6000113.1
173D32.4Very low36.1Very low152 Ų152137.3 Ų137.381%0.81376%0.76SS**  cis-147.5178.937.9-162.212.7000115.3
174L45.3Very low36.1Very low131 Ų131136.4 Ų136.469%0.68676%0.761SS**  trans-133.6125-171.6169.968.3000113.4
175A34.7Very low36.2Very low94 Ų94134.8 Ų134.878%0.77776%0.762SS**  trans-147.5125.5160.300000109.5
176H32.3Very low35.4Very low165 Ų165135.3 Ų135.376%0.76477%0.768SS**  cis96134.647-85.4-75.3000114
177S37.5Very low35.8Very low112 Ų112138.2 Ų138.278%0.78377%0.772SS**  trans-85.9163.1-164.7-34.90000114.7
178S40.1Very low35.9Very low127 Ų127134.5 Ų134.589%0.88877%0.769SS**  trans-142149.6159-73.40000110.3
179E38.4Very low35.7Very low185 Ų185138.6 Ų138.686%0.86478%0.778SS**  trans-116.9-168.2-174.7-57.3178.4124.200111.7
180S38Very low35.7Very low110 Ų110141.4 Ų141.477%0.76978%0.783SS**  trans78.9146.516980.60000117.9
181Q41.2Very low35.4Very low169 Ų169140.2 Ų140.279%0.7978%0.781SS**  cis-169.1-174.7-32.9-127.3-179.4-59.400110.7
182E32.4Very low35.7Very low130 Ų130137.2 Ų137.261%0.60777%0.773SS**  trans7195.1160.1-57.2-34.985.800124
183T32.4Very low35.3Very low103 Ų103137.5 Ų137.563%0.63278%0.776SS**  62.2122.5119.362.80000125.8
184I30.8Very low35.5Very low158 Ų158137.7 Ų137.781%0.8178%0.776SS**  trans75.8123131.175.6-179.2000125.8
185S30.5Very low35.6Very low120 Ų120136 Ų13684%0.83978%0.775SS**  trans77115.6133.4-158.10000122.9
186S33.1Very low35.9Very low114 Ų114141 Ų14180%0.79778%0.783SS**  -164156.6116.5-172.20000111.2
187M40Very low36.6Very low182 Ų182141.8 Ų141.890%0.89779%0.786SS**  trans-86.6156.6170.3-61.8-109.966.400111.4
188G32.4Very low37.1Very low74 Ų74146.8 Ų146.876%0.76379%0.788SS**  trans-176136.7171.500000110.5
189E37.4Very low37.3Very low184 Ų184147.2 Ų147.286%0.8679%0.785SS**  trans-110.7162.6-169.8-58.6-179.3133.800112.9
190Q36.7Very low37.5Very low181 Ų181144.3 Ų144.385%0.84678%0.776SS**  trans69.6155.2174.5-44.4-174.3-71.700114.2
191L30.3Very low38.1Very low134 Ų134143.6 Ų143.670%0.70277%0.767SS**  cis-149.6149.613.4-170.368.5000111.4
192D32.7Very low38.4Very low124 Ų124144.6 Ų144.666%0.66377%0.772SS**  trans7.5122.2162-45.8-25.8000120.5
193N33Very low39.1Very low139 Ų139144.8 Ų144.874%0.74378%0.777SS**  -177.5151.2100.8-102.2-86.2000114.2
194L37.2Very low40.1Very low155 Ų155144.7 Ų144.781%0.81277%0.771SS**  trans14147146.9-60.5169.1000120.4
195S46.5Very low41.3Very low96 Ų96141.2 Ų141.267%0.67175%0.751SS**  cis16074.7-5.51660000106.4
196E40.2Very low42.7Very low200 Ų200141.3 Ų141.394%0.93574%0.742SS**  trans-128.664.5176.9-71.2-160.8133.500112.8
197Q48.4Very low44Very low180 Ų180139.3 Ų139.384%0.84173%0.727SS**  trans-159.4161.5161.3-123.5-1808.700111.2
198R47.7Very low45.3Very low217 Ų217133.8 Ų133.882%0.81970%0.699SS**  trans82.267.5179.7-48.7176.6-174.6-160.5-0.3115.6
199T43.8Very low47.1Very low136 Ų136133.3 Ų133.383%0.83468%0.679SS**SBendtrans-130.619.2161.749.50000113.5
200D43.3Very low48.8Very low124 Ų124128.7 Ų128.766%0.66366%0.66SS**SBendtrans-120.2-10.8-168.3-57.3-80.6000114.5E202D200-E202 PolarHBondContact O-N 3.37Å
201T49.8Very low50.9Low96 Ų96126.9 Ų126.959%0.58966%0.656SS**THydrogen-bonded Turntrans-81.5-8.6-168.333.10000116.3
202E46.8Very low53.8Low189 Ų189124.7 Ų124.788%0.88364%0.64SS**THydrogen-bonded Turntrans-98.4-14.8179.8-62.9-173.4154.200113.6D200 M204D200-E202 PolarHBondContact O-N 3.37Å; E202-M204 VanDerWaalsContact C-N 3.34Å
203N48.9Very low56.8Low135 Ų135121.9 Ų121.972%0.72263%0.629SS**SBendtrans-90.1-0.8-178.3-155.915.6000112.6
204M53.2Low59.9Low101 Ų101115.2 Ų115.250%0.49859%0.593SS.*SBendtrans-92.4-38.2-169.5-166.4166.755.400112.7E202 D206 C207 Q208E202-M204 VanDerWaalsContact C-N 3.34Å; M204-D206 PolarHBondContact O-N 2.97Å; M204-C207 WeakPolarHBondContact O-CB 3.13Å; M204-C207 PolarHBondContact O-N 3.43Å; M204-Q208 WeakPolarHBondContact O-CG 3.32Å; M204-Q208 PolarHBondContact O-N 2.84Å
205E55.6Low62.7Low85 Ų85110.5 Ų110.540%0.39757%0.573SS.*Hα-helixtrans-61.4-37.6-175.7-86.848.4-128.900113.3Q208 N209E205-Q208 WeakPolarHBondContact O-CB 3.35Å; E205-Q208 PolarHBondContact O-N 2.87Å; E205-Q208 PolarHBondContact OE1-NE2 2.85Å; E205-N209 VanDerWaalsContact O-CG 3.31Å; E205-N209 PolarHBondContact O-N 2.81Å; E205-N209 PolarHBondContact O-ND2 2.81Å
206D59.3Low65.1Low121 Ų121110 Ų11065%0.64756%0.562SS**Hα-helixtrans-74-32.4-179.6-139.426.2000111.4M204 N209 L210M204-D206 PolarHBondContact O-N 2.97Å; D206-N209 PolarHBondContact O-N 3.1Å; D206-L210 PolarHBondContact O-N 2.9Å
207C60.3Low67.8Low73 Ų73101.9 Ų101.949%0.49353%0.528SS..Hα-helixtrans-63.5-44.8167.3-63.70000111.3M204 N209 L210 L211M204-C207 WeakPolarHBondContact O-CB 3.13Å; M204-C207 PolarHBondContact O-N 3.43Å; C207-N209 PolarHBondContact O-N 3.12Å; C207-L210 PolarHBondContact O-N 2.9Å; C207-L210 VanDerWaalsContact O-N 3.14Å; C207-L211 WeakPolarHBondContact O-CG 3.29Å; C207-L211 PolarHBondContact O-N 3.02Å; C207-L211 VanDerWaalsContact O-N 3.13Å
208Q68Low70.1Confident66 Ų66100.4 Ų100.431%0.30852%0.521SS..Hα-helixtrans-58.1-36.3173.6-63.1167.527.400111.9M204 E205 L210 L211 K212M204-Q208 WeakPolarHBondContact O-CG 3.32Å; M204-Q208 PolarHBondContact O-N 2.84Å; E205-Q208 WeakPolarHBondContact O-CB 3.35Å; E205-Q208 PolarHBondContact O-N 2.87Å; E205-Q208 PolarHBondContact OE1-NE2 2.85Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.17Å; Q208-L211 PolarHBondContact O-N 3.49Å; Q208-K212 VanDerWaalsContact O-CG 3.28Å; Q208-K212 WeakPolarHBondContact O-CG 3.27Å; Q208-K212 PolarHBondContact O-N 2.83Å
209N70.6Confident72.4Confident63 Ų6399 Ų9934%0.33752%0.521SS..Hα-helixtrans-66-25.2179.1-74-35.4000114E205 D206 C207 K212 R222E205-N209 VanDerWaalsContact O-CG 3.31Å; E205-N209 PolarHBondContact O-N 2.81Å; E205-N209 PolarHBondContact O-ND2 2.81Å; D206-N209 PolarHBondContact O-N 3.1Å; C207-N209 PolarHBondContact O-N 3.12Å; N209-K212 PolarHBondContact OD1-NZ 3.3Å; N209-R222 PolarHBondContact O-NH1 2.82Å
210L72.5Confident74.9Confident87 Ų8798.1 Ų98.146%0.45550%0.502SS..Hα-helixtrans-81.7-35.2171-62.1175.4000112.3D206 C207 Q208 L234 I266D206-L210 PolarHBondContact O-N 2.9Å; C207-L210 PolarHBondContact O-N 2.9Å; C207-L210 VanDerWaalsContact O-N 3.14Å; Q208-L210 VanDerWaalsContact C-N 3.26Å; Q208-L210 PolarHBondContact O-N 3.17Å; L210-L234 HydrophobicContact CD2-CD2 4.41Å; L210-I266 HydrophobicContact CB-CD1 4.48Å; L210-I266 HydrophobicContact CD1-CD1 4.35Å
211L80.6Confident77.4Confident144 Ų14496.3 Ų96.375%0.75450%0.497SS*.Hα-helixtrans-71.6-31177.1-65.8172.4000113.2C207 Q208C207-L211 WeakPolarHBondContact O-CG 3.29Å; C207-L211 PolarHBondContact O-N 3.02Å; C207-L211 VanDerWaalsContact O-N 3.13Å; Q208-L211 PolarHBondContact O-N 3.49Å
212K91.4Very high79.6Confident87 Ų8794.1 Ų94.138%0.37848%0.478SS..SBendtrans-53.6133.8177.2-79.6165.6-159.7167.50110.9Q208 N209 R222Q208-K212 VanDerWaalsContact O-CG 3.28Å; Q208-K212 WeakPolarHBondContact O-CG 3.27Å; Q208-K212 PolarHBondContact O-N 2.83Å; N209-K212 PolarHBondContact OD1-NZ 3.3Å; K212-R222 WeakPolarHBondContact O-CD 3.49Å; K212-R222 WeakPolarHBondContact O-CG 3.47Å; K212-R222 PolarHBondContact O-NE 3.49Å
213P95.9Very high82Confident65 Ų6586.4 Ų86.442%0.42244%0.442SS..PPolyproline II helixtrans-58.9166.8178.7-28.836.5000115.7S215 E218 R222P213-S215 PolarHBondContact O-N 3.13Å; P213-E218 VanDerWaalsContact CB-O 3.27Å; P213-E218 WeakPolarHBondContact CB-O 3.15Å; P213-R222 PolarHBondContact O-NE 2.95Å; P213-R222 PolarHBondContact O-NH2 3.23Å; P213-R222 VanDerWaalsContact O-NH2 3.15Å
214C97Very high84.4Confident0 Ų080 Ų800%041%0.408CS..PPolyproline II helixtrans-55.2120172168.50000112.2L216 C217 E218 R220 T236 C237C214-L216 PolarHBondContact O-N 3.18Å; C214-C217 PolarHBondContact O-N 2.96Å; C214-C217 VanDerWaalsContact O-N 3.15Å; C214-C217 VanDerWaalsContact SG-SG 3.67Å; C214-E218 WeakPolarHBondContact O-CA 3.42Å; C214-E218 PolarHBondContact O-N 3.29Å; C214-R220 VanDerWaalsContact CB-O 3.29Å; C214-R220 WeakPolarHBondContact CB-O 3.41Å; C214-R220 PolarHBondContact N-O 2.95Å; C214-T236 VanDerWaalsContact SG-CA 3.58Å; C214-C237 HydrophobicContact CB-CB 3.9Å; C214-C237 VanDerWaalsContact CB-N 3.35Å; C214-C237 PolarHBondContact SG-N 2.87Å; C214-C237 VanDerWaalsContact SG-SG 3.7Å
215S96.1Very high86.5Confident55 Ų5576.9 Ų76.939%0.38539%0.394SS..THydrogen-bonded Turntrans-68.311-175.661.90000116.8P213 V235P213-S215 PolarHBondContact O-N 3.13Å; S215-V235 PolarHBondContact N-O 2.83Å; S215-V235 VanDerWaalsContact N-O 3.07Å; S215-V235 PolarHBondContact OG-O 3.39Å; S215-V235 VanDerWaalsContact OG-O 3.13Å
216L97Very high88.6Confident85 Ų8572.9 Ų72.945%0.44538%0.375SS..THydrogen-bonded Turntrans-127.9-2.4178.9-65.1-178.7000113.4C214 T236 C240 L244C214-L216 PolarHBondContact O-N 3.18Å; L216-T236 HydrophobicContact CB-CG2 4.46Å; L216-T236 HydrophobicContact CD1-CG2 3.6Å; L216-T236 HydrophobicContact CG-CG2 3.89Å; L216-C240 HydrophobicContact CB-CB 4.22Å; L216-C240 HydrophobicContact CD1-CB 4.35Å; L216-L244 HydrophobicContact CD1-CD1 3.81Å; L216-L244 HydrophobicContact CD1-CD2 4.11Å; L216-L244 HydrophobicContact CD1-CG 4.04Å
217C97.5Very high90.4Very high31 Ų3168.6 Ų68.621%0.20935%0.352CS..THydrogen-bonded Turntrans-156.5-8176.270.50000115.3C214 K219 C240C214-C217 PolarHBondContact O-N 2.96Å; C214-C217 VanDerWaalsContact O-N 3.15Å; C214-C217 VanDerWaalsContact SG-SG 3.67Å; C217-K219 WeakPolarHBondContact O-CB 3.46Å; C217-K219 WeakPolarHBondContact O-CD 3.39Å; C217-K219 VanDerWaalsContact O-CG 3.23Å; C217-K219 WeakPolarHBondContact O-CG 3.45Å; C217-K219 PolarHBondContact O-N 3.27Å; C217-C240 VanDerWaalsContact SG-SG 3.6Å
218E96.4Very high92.2Very high149 Ų14965.6 Ų65.670%0.69633%0.331SS*.SBendtrans57.1-0.5172.4-70.5145.3-149.100117.1P213 C214P213-E218 VanDerWaalsContact CB-O 3.27Å; P213-E218 WeakPolarHBondContact CB-O 3.15Å; C214-E218 WeakPolarHBondContact O-CA 3.42Å; C214-E218 PolarHBondContact O-N 3.29Å
219K95.7Very high93.5Very high188 Ų18864.9 Ų64.982%0.81734%0.341SS*.SBendtrans-109.35.5-171.7-69162.2-175.8-179.20114.6C217C217-K219 WeakPolarHBondContact O-CB 3.46Å; C217-K219 WeakPolarHBondContact O-CD 3.39Å; C217-K219 VanDerWaalsContact O-CG 3.23Å; C217-K219 WeakPolarHBondContact O-CG 3.45Å; C217-K219 PolarHBondContact O-N 3.27Å
220R96.8Very high94.8Very high116 Ų11674 Ų7444%0.43837%0.37SS..SBendtrans-147.7149.3-174.6-67-169.8-17286.62.8111.1C214 C237C214-R220 VanDerWaalsContact CB-O 3.29Å; C214-R220 WeakPolarHBondContact CB-O 3.41Å; C214-R220 PolarHBondContact N-O 2.95Å; R220-C237 HydrophobicContact CB-CB 3.56Å
221P96.1Very high96Very high86 Ų8673.8 Ų73.856%0.55837%0.373SS*.  trans-64166.1176.228.9-37.1000112.1D223 C237P221-D223 PolarHBondContact O-N 3.25Å; P221-C237 WeakPolarHBondContact O-CA 3.41Å; P221-C237 WeakPolarHBondContact O-CB 3.42Å
222R96.9Very high96.8Very high51 Ų5168.2 Ų68.219%0.19235%0.35CS..SBendtrans-79.968175.7-66.4172.4178.4-169.9-2.4110.7N209 K212 P213 L234 T236N209-R222 PolarHBondContact O-NH1 2.82Å; K212-R222 WeakPolarHBondContact O-CD 3.49Å; K212-R222 WeakPolarHBondContact O-CG 3.47Å; K212-R222 PolarHBondContact O-NE 3.49Å; P213-R222 PolarHBondContact O-NE 2.95Å; P213-R222 PolarHBondContact O-NH2 3.23Å; P213-R222 VanDerWaalsContact O-NH2 3.15Å; R222-L234 HydrophobicContact CB-CG 4.28Å; R222-L234 WeakPolarHBondContact O-CD1 3.4Å; R222-L234 WeakPolarHBondContact O-CG 3.11Å; R222-T236 CarbonylContact C-O 3.57Å; R222-T236 WeakPolarHBondContact CA-O 3.39Å
223D97.3Very high97.1Very high26 Ų2666.6 Ų66.614%0.13934%0.344CS..  trans-96.95.5179.778-33.6000114.3P221 T236 C237 F238 K263 V264P221-D223 PolarHBondContact O-N 3.25Å; D223-T236 PolarHBondContact N-O 3.12Å; D223-C237 WeakPolarHBondContact OD1-CA 3.44Å; D223-C237 VanDerWaalsContact OD1-CB 3.3Å; D223-C237 WeakPolarHBondContact OD1-CB 3.25Å; D223-F238 PolarHBondContact OD1-N 3.18Å; D223-K263 CarbonylContact O-C 3.6Å; D223-K263 VanDerWaalsContact O-CA 3.29Å; D223-K263 WeakPolarHBondContact O-CA 3.18Å; D223-K263 WeakPolarHBondContact OD2-CE 3.28Å; D223-K263 IonicContact OD2-NZ 2.66Å; D223-K263 PolarHBondContact OD2-NZ 2.94Å; D223-V264 PolarHBondContact O-N 3.37Å
224G97.9Very high97.2Very high0 Ų065.6 Ų65.60%034%0.335CS..EExtended strand (participates in β ladder)trans-119.698-176.400000113.5T236G224-T236 CarbonylContact C-O 3.55Å; G224-T236 VanDerWaalsContact CA-O 3.31Å; G224-T236 WeakPolarHBondContact CA-O 3.18Å; G224-T236 PolarHBondContact N-O 2.99Å; G224-T236 PolarHBondContact O-OG1 2.9Å; G224-T236 VanDerWaalsContact O-OG1 3.13Å
225N98.3Very high97.2Very high37 Ų3766.9 Ų66.920%0.19834%0.342CS..EExtended strand (participates in β ladder)trans-80.4124.7176.7-165-7.7000110.7I227 G232 H233 L234 V261 I262 V264N225-I227 HydrophobicContact CB-CD1 4.2Å; N225-G232 WeakPolarHBondContact OD1-CA 3.43Å; N225-H233 PolarHBondContact OD1-N 3.21Å; N225-H233 PolarHBondContact OD1-O 2.87Å; N225-L234 HydrophobicContact CB-CD1 3.97Å; N225-V261 WeakPolarHBondContact O-CA 3.41Å; N225-I262 PolarHBondContact N-O 3.41Å; N225-I262 PolarHBondContact O-N 3.27Å; N225-V264 HydrophobicContact CB-CG2 3.68Å
226I98.6Very high97.2Very high0 Ų064.2 Ų64.20%032%0.324CS..EExtended strand (participates in β ladder)trans-94.6107.5178.9-65.4174.6000108.6H228 G232 H233 T236 A241 L244 C251 P252 I258I226-H228 PolarHBondContact O-CD2 3.2Å; I226-G232 CarbonylContact O-C 3.49Å; I226-G232 WeakPolarHBondContact O-CA 3.42Å; I226-H233 PolarHBondContact N-O 2.66Å; I226-H233 PolarHBondContact O-N 3.36Å; I226-T236 HydrophobicContact CD1-CG2 4.4Å; I226-T236 WeakPolarHBondContact CD1-OG1 3.37Å; I226-A241 HydrophobicContact CD1-CB 4.28Å; I226-A241 HydrophobicContact CG1-CB 3.82Å; I226-L244 HydrophobicContact CD1-CD1 3.76Å; I226-C251 HydrophobicContact CG2-CB 3.88Å; I226-P252 HydrophobicContact CD1-CG 4.21Å; I226-I258 HydrophobicContact CD1-CD1 4.41Å; I226-I258 HydrophobicContact CG2-CB 4.27Å; I226-I258 HydrophobicContact CG2-CD1 3.72Å; I226-I258 HydrophobicContact CG2-CG1 3.61Å; I226-I258 HydrophobicContact CG2-CG2 3.85Å
227I98.6Very high97.3Very high32 Ų3260.2 Ų60.216%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-95.4135.2-173.8-48.9-59.5000111.7N225 Q259 L260 I262N225-I227 HydrophobicContact CB-CD1 4.2Å; I227-Q259 PolarHBondContact O-N 3.15Å; I227-Q259 VanDerWaalsContact O-N 3.1Å; I227-L260 HydrophobicContact CB-CB 4.08Å; I227-L260 HydrophobicContact CG1-CB 4.37Å; I227-L260 PolarHBondContact N-O 2.86Å; I227-L260 PolarHBondContact O-N 2.98Å; I227-I262 HydrophobicContact CD1-CD1 4.26Å; I227-I262 HydrophobicContact CG1-CD1 3.96Å; I227-I262 HydrophobicContact CG1-CG1 4.06Å
228H97.7Very high97.3Very high10 Ų1061.5 Ų61.55%0.04631%0.305CS..EExtended strand (participates in β ladder)trans-144.1109.2176.548.997.9000109.6I226 R230 T231 H233 C254 K256 E257I226-H228 PolarHBondContact O-CD2 3.2Å; H228-R230 PolarHBondContact O-N 2.89Å; H228-T231 PolarHBondContact CE1-OG1 2.92Å; H228-T231 PolarHBondContact N-O 2.77Å; H228-T231 PolarHBondContact O-N 2.92Å; H228-H233 AromaticContact CE1-CE1 3.59Å; H228-H233 AromaticContact CE1-ND1 3.87Å; H228-H233 AromaticContact NE2-CE1 3.36Å; H228-H233 PolarHBondContact NE2-CE1 3.13Å; H228-H233 AromaticContact NE2-ND1 3.16Å; H228-H233 PolarHBondContact NE2-ND1 3.24Å; H228-H233 VanDerWaalsContact NE2-ND1 3.16Å; H228-C254 VanDerWaalsContact CE1-SG 3.53Å; H228-K256 HydrophobicContact CB-CB 4.08Å; H228-K256 VanDerWaalsContact ND1-CD 3.32Å; H228-K256 WeakPolarHBondContact ND1-CD 3.26Å; H228-E257 WeakPolarHBondContact CB-O 3.42Å
229G95.9Very high97.4Very high50 Ų5059.6 Ų59.652%0.51530%0.296SS..THydrogen-bonded Turntrans66.3-114.1-174.300000112.1
230R96.8Very high97.6Very high256 Ų25651.2 Ų51.297%0.96626%0.261SS*.THydrogen-bonded Turntrans-105.93.3-179.6-63.7-173.1-177.7-174.91.4114.1H228H228-R230 PolarHBondContact O-N 2.89Å
231T97.8Very high97.7Very high82 Ų8245.7 Ų45.750%0.50324%0.24SC..EExtended strand (participates in β ladder)trans-128.9169.4179.262.50000111.4H228H228-T231 PolarHBondContact CE1-OG1 2.92Å; H228-T231 PolarHBondContact N-O 2.77Å; H228-T231 PolarHBondContact O-N 2.92Å
232G97.5Very high97.8Very high27 Ų2749.1 Ų49.128%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-151.5165177.700000112.6N225 I226N225-G232 WeakPolarHBondContact OD1-CA 3.43Å; I226-G232 CarbonylContact O-C 3.49Å; I226-G232 WeakPolarHBondContact O-CA 3.42Å
233H97.8Very high97.9Very high52 Ų5254.4 Ų54.424%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-123.9125177.2-63.9117.7000110.9N225 I226 H228 V235 C251 I253 C254N225-H233 PolarHBondContact OD1-N 3.21Å; N225-H233 PolarHBondContact OD1-O 2.87Å; I226-H233 PolarHBondContact N-O 2.66Å; I226-H233 PolarHBondContact O-N 3.36Å; H228-H233 AromaticContact CE1-CE1 3.59Å; H228-H233 AromaticContact CE1-ND1 3.87Å; H228-H233 AromaticContact NE2-CE1 3.36Å; H228-H233 PolarHBondContact NE2-CE1 3.13Å; H228-H233 AromaticContact NE2-ND1 3.16Å; H228-H233 PolarHBondContact NE2-ND1 3.24Å; H228-H233 VanDerWaalsContact NE2-ND1 3.16Å; H233-V235 PolarHBondContact O-N 3.47Å; H233-C251 PolarHBondContact ND1-SG 2.86Å; H233-I253 HydrophobicContact CB-CG1 4.2Å; H233-C254 PolarHBondContact CE1-SG 3.48Å
234L96.9Very high97.9Very high45 Ų4554.7 Ų54.724%0.23626%0.263CS..EExtended strand (participates in β ladder)trans-102.166.7-179-16960.3000111.2L210 R222 N225 V264L210-L234 HydrophobicContact CD2-CD2 4.41Å; R222-L234 HydrophobicContact CB-CG 4.28Å; R222-L234 WeakPolarHBondContact O-CD1 3.4Å; R222-L234 WeakPolarHBondContact O-CG 3.11Å; N225-L234 HydrophobicContact CB-CD1 3.97Å; L234-V264 HydrophobicContact CD1-CB 4.32Å; L234-V264 HydrophobicContact CD1-CG2 3.97Å; L234-V264 HydrophobicContact CD2-CG1 4.29Å; L234-V264 HydrophobicContact CD2-CG2 4.47Å
235V96.9Very high97.9Very high26 Ų2659.2 Ų59.216%0.15828%0.283CS..EExtended strand (participates in β ladder)trans-112.2-6.5-177.2-65.70000113.4S215 H233 P252 I253S215-V235 PolarHBondContact N-O 2.83Å; S215-V235 VanDerWaalsContact N-O 3.07Å; S215-V235 PolarHBondContact OG-O 3.39Å; S215-V235 VanDerWaalsContact OG-O 3.13Å; H233-V235 PolarHBondContact O-N 3.47Å; V235-P252 HydrophobicContact CG2-CG 4.08Å; V235-I253 HydrophobicContact CB-CD1 4.47Å; V235-I253 HydrophobicContact CG1-CD1 4.05Å; V235-I253 HydrophobicContact CG1-CG1 4.08Å; V235-I253 HydrophobicContact CG2-CD1 4.06Å; V235-I253 HydrophobicContact CG2-CG1 3.87Å
236T97.8Very high98Very high0 Ų066.8 Ų66.80%031%0.314CS..EExtended strand (participates in β ladder)trans-129.1156.8-171.541.40000112.2C214 L216 R222 D223 G224 I226C214-T236 VanDerWaalsContact SG-CA 3.58Å; L216-T236 HydrophobicContact CB-CG2 4.46Å; L216-T236 HydrophobicContact CD1-CG2 3.6Å; L216-T236 HydrophobicContact CG-CG2 3.89Å; R222-T236 CarbonylContact C-O 3.57Å; R222-T236 WeakPolarHBondContact CA-O 3.39Å; D223-T236 PolarHBondContact N-O 3.12Å; G224-T236 CarbonylContact C-O 3.55Å; G224-T236 VanDerWaalsContact CA-O 3.31Å; G224-T236 WeakPolarHBondContact CA-O 3.18Å; G224-T236 PolarHBondContact N-O 2.99Å; G224-T236 PolarHBondContact O-OG1 2.9Å; G224-T236 VanDerWaalsContact O-OG1 3.13Å; I226-T236 HydrophobicContact CD1-CG2 4.4Å; I226-T236 WeakPolarHBondContact CD1-OG1 3.37Å
237C98.2Very high97.9Very high0 Ų070.6 Ų70.60%035%0.346CS..  trans-74.2154.9162.571.90000110.9C214 R220 P221 D223 H239 C240 A241C214-C237 HydrophobicContact CB-CB 3.9Å; C214-C237 VanDerWaalsContact CB-N 3.35Å; C214-C237 PolarHBondContact SG-N 2.87Å; C214-C237 VanDerWaalsContact SG-SG 3.7Å; R220-C237 HydrophobicContact CB-CB 3.56Å; P221-C237 WeakPolarHBondContact O-CA 3.41Å; P221-C237 WeakPolarHBondContact O-CB 3.42Å; D223-C237 WeakPolarHBondContact OD1-CA 3.44Å; D223-C237 VanDerWaalsContact OD1-CB 3.3Å; D223-C237 WeakPolarHBondContact OD1-CB 3.25Å; C237-H239 PolarHBondContact O-N 3.49Å; C237-C240 PolarHBondContact O-N 3.11Å; C237-A241 PolarHBondContact O-N 3.39Å
238F98.5Very high97.9Very high59 Ų5972.4 Ų72.426%0.25937%0.372SS..Hα-helixtrans-56-35.6-177.3-178.2-115.5000112.9D223 R242 V261 K263D223-F238 PolarHBondContact OD1-N 3.18Å; F238-R242 HydrophobicContact CD2-CG 4.45Å; F238-R242 HydrophobicContact CE1-CG 4.43Å; F238-R242 HydrophobicContact CE2-CG 4.16Å; F238-R242 HydrophobicContact CZ-CG 4.17Å; F238-R242 WeakPolarHBondContact O-CB 3.16Å; F238-R242 WeakPolarHBondContact O-CG 3.3Å; F238-R242 PolarHBondContact O-N 3.45Å; F238-V261 HydrophobicContact CD2-CG1 3.77Å; F238-V261 HydrophobicContact CE2-CG1 3.93Å; F238-K263 HydrophobicContact CB-CB 4.4Å; F238-K263 HydrophobicContact CB-CD 4.49Å; F238-K263 HydrophobicContact CB-CG 4.43Å; F238-K263 HydrophobicContact CD1-CB 4.25Å; F238-K263 HydrophobicContact CD1-CD 4.29Å; F238-K263 HydrophobicContact CD2-CB 3.62Å; F238-K263 HydrophobicContact CE1-CB 4.4Å; F238-K263 HydrophobicContact CE2-CB 3.81Å; F238-K263 HydrophobicContact CG-CB 3.85Å; F238-K263 HydrophobicContact CG-CD 4.37Å; F238-K263 HydrophobicContact CG-CG 4.33Å; F238-K263 HydrophobicContact CZ-CB 4.18Å
239H98.6Very high97.9Very high109 Ų10973.7 Ų73.751%0.50539%0.385SS..Hα-helixtrans-65.5-45.3175.9-177.183.6000112.7C237 R243C237-H239 PolarHBondContact O-N 3.49Å; H239-R243 WeakPolarHBondContact NE2-CD 3.4Å; H239-R243 PolarHBondContact NE2-NE 2.93Å; H239-R243 VanDerWaalsContact NE2-NE 3.11Å; H239-R243 PolarHBondContact NE2-NH1 2.88Å; H239-R243 PolarHBondContact O-N 3.31Å
240C98.6Very high98Very high12 Ų1274.1 Ų74.18%0.08138%0.38CS..Hα-helixtrans-70.8-40.5178.2-69.70000111.6L216 C217 C237 R242 R243 L244L216-C240 HydrophobicContact CB-CB 4.22Å; L216-C240 HydrophobicContact CD1-CB 4.35Å; C217-C240 VanDerWaalsContact SG-SG 3.6Å; C237-C240 PolarHBondContact O-N 3.11Å; C240-R242 PolarHBondContact O-N 3.1Å; C240-R243 WeakPolarHBondContact O-CB 3.13Å; C240-R243 PolarHBondContact O-N 2.78Å; C240-R243 VanDerWaalsContact O-N 3.15Å; C240-L244 PolarHBondContact O-N 3.45Å
241A98.6Very high98.1Very high0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-59.9-44.7173.600000112.1I226 C237 R243 L244 K245 V261I226-A241 HydrophobicContact CD1-CB 4.28Å; I226-A241 HydrophobicContact CG1-CB 3.82Å; C237-A241 PolarHBondContact O-N 3.39Å; A241-R243 VanDerWaalsContact C-N 3.33Å; A241-R243 PolarHBondContact O-N 2.71Å; A241-L244 PolarHBondContact O-N 2.88Å; A241-K245 PolarHBondContact O-N 3.19Å; A241-V261 HydrophobicContact CB-CB 4.43Å; A241-V261 HydrophobicContact CB-CG1 3.42Å; A241-V261 VanDerWaalsContact CB-CG1 3.42Å; A241-V261 HydrophobicContact CB-CG2 4.08Å
242R98.6Very high98.1Very high158 Ų15859.7 Ų59.760%0.59632%0.32SS*.Hα-helixtrans-63.3-35.1173.3-78.6-171.770.2-160.84.2113F238 C240 K246 V261F238-R242 HydrophobicContact CD2-CG 4.45Å; F238-R242 HydrophobicContact CE1-CG 4.43Å; F238-R242 HydrophobicContact CE2-CG 4.16Å; F238-R242 HydrophobicContact CZ-CG 4.17Å; F238-R242 WeakPolarHBondContact O-CB 3.16Å; F238-R242 WeakPolarHBondContact O-CG 3.3Å; F238-R242 PolarHBondContact O-N 3.45Å; C240-R242 PolarHBondContact O-N 3.1Å; R242-K246 WeakPolarHBondContact O-CB 3.5Å; R242-K246 PolarHBondContact O-N 2.96Å; R242-V261 HydrophobicContact CG-CG1 4.11Å
243R98.6Very high98.1Very high161 Ų16162.8 Ų62.861%0.60833%0.329SS*.Hα-helixtrans-64-46.2173.6-85.4-179.5143.6173.4-8.1111.8H239 C240 A241 K246 A247H239-R243 WeakPolarHBondContact NE2-CD 3.4Å; H239-R243 PolarHBondContact NE2-NE 2.93Å; H239-R243 VanDerWaalsContact NE2-NE 3.11Å; H239-R243 PolarHBondContact NE2-NH1 2.88Å; H239-R243 PolarHBondContact O-N 3.31Å; C240-R243 WeakPolarHBondContact O-CB 3.13Å; C240-R243 PolarHBondContact O-N 2.78Å; C240-R243 VanDerWaalsContact O-N 3.15Å; A241-R243 VanDerWaalsContact C-N 3.33Å; A241-R243 PolarHBondContact O-N 2.71Å; R243-K246 PolarHBondContact O-N 3.4Å; R243-A247 WeakPolarHBondContact O-CB 3.26Å; R243-A247 PolarHBondContact O-N 2.74Å
244L98.4Very high98.1Very high33 Ų3362.5 Ų62.517%0.17333%0.333CS..Hα-helixtrans-55.8-52.7174.3-69.2176.7000111.2L216 I226 C240 A241 K246 A247 G248 A249 P252 I258L216-L244 HydrophobicContact CD1-CD1 3.81Å; L216-L244 HydrophobicContact CD1-CD2 4.11Å; L216-L244 HydrophobicContact CD1-CG 4.04Å; I226-L244 HydrophobicContact CD1-CD1 3.76Å; C240-L244 PolarHBondContact O-N 3.45Å; A241-L244 PolarHBondContact O-N 2.88Å; L244-K246 PolarHBondContact O-N 2.88Å; L244-A247 PolarHBondContact O-N 3.19Å; L244-A247 VanDerWaalsContact O-N 3.1Å; L244-G248 PolarHBondContact O-N 3.14Å; L244-A249 HydrophobicContact CB-CB 4.34Å; L244-A249 HydrophobicContact CD2-CB 3.97Å; L244-A249 PolarHBondContact O-N 3.32Å; L244-P252 HydrophobicContact CD1-CG 4.25Å; L244-I258 HydrophobicContact CB-CD1 3.66Å; L244-I258 HydrophobicContact CD1-CD1 4.12Å
245K98.4Very high98.1Very high95 Ų9567.2 Ų67.241%0.41335%0.352SS..Hα-helixtrans-60.6-42.2179.5-169.5179.5177.7-174.50112.2A241 A247 G248 I258 Q259 V261A241-K245 PolarHBondContact O-N 3.19Å; K245-A247 VanDerWaalsContact C-N 3.26Å; K245-A247 PolarHBondContact O-N 2.77Å; K245-G248 PolarHBondContact O-N 3.07Å; K245-I258 HydrophobicContact CB-CB 4.34Å; K245-I258 HydrophobicContact CB-CG2 3.9Å; K245-I258 HydrophobicContact CD-CG2 4.19Å; K245-I258 WeakPolarHBondContact CD-O 3.13Å; K245-I258 VanDerWaalsContact CE-O 3.25Å; K245-I258 WeakPolarHBondContact CE-O 3.18Å; K245-I258 HydrophobicContact CG-CB 4.35Å; K245-I258 HydrophobicContact CG-CG2 4.06Å; K245-Q259 WeakPolarHBondContact CE-O 3.49Å; K245-Q259 PolarHBondContact NZ-O 2.77Å; K245-V261 HydrophobicContact CB-CG2 4.05Å; K245-V261 HydrophobicContact CD-CG2 4.45Å
246K98.4Very high98.2Very high195 Ų19571.8 Ų71.885%0.84837%0.369SS*.Hα-helixtrans-64.6-29.7177.2-176.6173.1179.1-177.70112.6R242 R243 L244 G248R242-K246 WeakPolarHBondContact O-CB 3.5Å; R242-K246 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 3.4Å; L244-K246 PolarHBondContact O-N 2.88Å; K246-G248 VanDerWaalsContact C-N 3.3Å
247A98.2Very high98.2Very high81 Ų8178.8 Ų78.867%0.66940%0.402SS*.THydrogen-bonded Turntrans-83.4117700000114R243 L244 K245 A249R243-A247 WeakPolarHBondContact O-CB 3.26Å; R243-A247 PolarHBondContact O-N 2.74Å; L244-A247 PolarHBondContact O-N 3.19Å; L244-A247 VanDerWaalsContact O-N 3.1Å; K245-A247 VanDerWaalsContact C-N 3.26Å; K245-A247 PolarHBondContact O-N 2.77Å; A247-A249 PolarHBondContact O-N 2.86Å
248G97.7Very high98.2Very high70 Ų7079.1 Ų79.172%0.72240%0.404SS*.THydrogen-bonded Turntrans67.614.5-173.200000113.9L244 K245 K246L244-G248 PolarHBondContact O-N 3.14Å; K245-G248 PolarHBondContact O-N 3.07Å; K246-G248 VanDerWaalsContact C-N 3.3Å
249A98.3Very high98.2Very high37 Ų3781.3 Ų81.331%0.30642%0.415SS..PPolyproline II helixtrans-79141.6-176.200000111.7L244 A247 I258L244-A249 HydrophobicContact CB-CB 4.34Å; L244-A249 HydrophobicContact CD2-CB 3.97Å; L244-A249 PolarHBondContact O-N 3.32Å; A247-A249 PolarHBondContact O-N 2.86Å; A249-I258 WeakPolarHBondContact O-CD1 3.17Å; A249-I258 WeakPolarHBondContact O-CG1 3.43Å
250S98.4Very high98.2Very high59 Ų5980.4 Ų80.441%0.41341%0.413SS..PPolyproline II helixtrans-65161.6173.7-66.90000113.8K255 K256S250-K255 WeakPolarHBondContact CB-O 3.29Å; S250-K255 PolarHBondContact OG-O 2.63Å; S250-K256 WeakPolarHBondContact CA-O 3.43Å
251C98.1Very high98.2Very high0 Ų080.7 Ų80.70%042%0.415CS..PPolyproline II helixtrans-54128.1169.7-176.80000110.6I226 H233 I253 C254 K255 K256 I258I226-C251 HydrophobicContact CG2-CB 3.88Å; H233-C251 PolarHBondContact ND1-SG 2.86Å; C251-I253 PolarHBondContact O-N 3.26Å; C251-I253 VanDerWaalsContact O-N 3.17Å; C251-C254 VanDerWaalsContact SG-SG 3.68Å; C251-K255 VanDerWaalsContact O-CA 3.25Å; C251-K255 WeakPolarHBondContact O-CA 3.35Å; C251-K255 PolarHBondContact O-N 3.46Å; C251-K256 WeakPolarHBondContact CB-O 3.45Å; C251-K256 PolarHBondContact N-O 2.92Å; C251-I258 HydrophobicContact CB-CG1 4.38Å
252P97.3Very high98.2Very high34 Ų3484.4 Ų84.422%0.22143%0.434CS..THydrogen-bonded Turntrans-64.8-26.6-17224.6-33.9000113I226 V235 L244 K255I226-P252 HydrophobicContact CD1-CG 4.21Å; V235-P252 HydrophobicContact CG2-CG 4.08Å; L244-P252 HydrophobicContact CD1-CG 4.25Å; P252-K255 PolarHBondContact O-NZ 3.32Å
253I97.5Very high98.2Very high92 Ų9281 Ų8147%0.47242%0.423SS..THydrogen-bonded Turntrans-81.6-70.8-179.8-51.6-53.4000110.9H233 V235 C251H233-I253 HydrophobicContact CB-CG1 4.2Å; V235-I253 HydrophobicContact CB-CD1 4.47Å; V235-I253 HydrophobicContact CG1-CD1 4.05Å; V235-I253 HydrophobicContact CG1-CG1 4.08Å; V235-I253 HydrophobicContact CG2-CD1 4.06Å; V235-I253 HydrophobicContact CG2-CG1 3.87Å; C251-I253 PolarHBondContact O-N 3.26Å; C251-I253 VanDerWaalsContact O-N 3.17Å
254C97.7Very high98.1Very high46 Ų4675.2 Ų75.231%0.31141%0.406SS..THydrogen-bonded Turntrans-92.51.8-170.8640000115.7H228 H233 C251 K256H228-C254 VanDerWaalsContact CE1-SG 3.53Å; H233-C254 PolarHBondContact CE1-SG 3.48Å; C251-C254 VanDerWaalsContact SG-SG 3.68Å; C254-K256 PolarHBondContact O-N 2.87Å
255K97.8Very high97.9Very high145 Ų14581.5 Ų81.563%0.6343%0.432SS*.  trans57.48.1-178.4-43.4-53.3-177.2-1700116.7S250 C251 P252S250-K255 WeakPolarHBondContact CB-O 3.29Å; S250-K255 PolarHBondContact OG-O 2.63Å; C251-K255 VanDerWaalsContact O-CA 3.25Å; C251-K255 WeakPolarHBondContact O-CA 3.35Å; C251-K255 PolarHBondContact O-N 3.46Å; P252-K255 PolarHBondContact O-NZ 3.32Å
256K98.4Very high97.5Very high122 Ų12283.2 Ų83.253%0.5344%0.444SS..  trans-70.5155.7171.4-66.5176.1173.9-179.10112.3H228 S250 C251 C254H228-K256 HydrophobicContact CB-CB 4.08Å; H228-K256 VanDerWaalsContact ND1-CD 3.32Å; H228-K256 WeakPolarHBondContact ND1-CD 3.26Å; S250-K256 WeakPolarHBondContact CA-O 3.43Å; C251-K256 WeakPolarHBondContact CB-O 3.45Å; C251-K256 PolarHBondContact N-O 2.92Å; C254-K256 PolarHBondContact O-N 2.87Å
257E98.4Very high96.9Very high146 Ų14681.9 Ų81.968%0.68247%0.469SS*.  trans-60140.5176.1-168-165.7163.600112.4H228 Q259H228-E257 WeakPolarHBondContact CB-O 3.42Å; E257-Q259 PolarHBondContact O-N 3.07Å
258I98.6Very high96.8Very high8 Ų882 Ų824%0.04146%0.459CS..  trans-87.792.3179.6-55.2-178.6000110.7I226 L244 K245 A249 C251 V261I226-I258 HydrophobicContact CD1-CD1 4.41Å; I226-I258 HydrophobicContact CG2-CB 4.27Å; I226-I258 HydrophobicContact CG2-CD1 3.72Å; I226-I258 HydrophobicContact CG2-CG1 3.61Å; I226-I258 HydrophobicContact CG2-CG2 3.85Å; L244-I258 HydrophobicContact CB-CD1 3.66Å; L244-I258 HydrophobicContact CD1-CD1 4.12Å; K245-I258 HydrophobicContact CB-CB 4.34Å; K245-I258 HydrophobicContact CB-CG2 3.9Å; K245-I258 HydrophobicContact CD-CG2 4.19Å; K245-I258 WeakPolarHBondContact CD-O 3.13Å; K245-I258 VanDerWaalsContact CE-O 3.25Å; K245-I258 WeakPolarHBondContact CE-O 3.18Å; K245-I258 HydrophobicContact CG-CB 4.35Å; K245-I258 HydrophobicContact CG-CG2 4.06Å; A249-I258 WeakPolarHBondContact O-CD1 3.17Å; A249-I258 WeakPolarHBondContact O-CG1 3.43Å; C251-I258 HydrophobicContact CB-CG1 4.38Å; I258-V261 HydrophobicContact CG2-CG2 3.67Å
259Q98.3Very high96.8Very high105 Ų10582.6 Ų82.649%0.49145%0.446SS..  trans-69.9-39.8179.6-67.2178.7-14.800112.4I227 K245 E257I227-Q259 PolarHBondContact O-N 3.15Å; I227-Q259 VanDerWaalsContact O-N 3.1Å; K245-Q259 WeakPolarHBondContact CE-O 3.49Å; K245-Q259 PolarHBondContact NZ-O 2.77Å; E257-Q259 PolarHBondContact O-N 3.07Å
260L98.2Very high96.7Very high90 Ų9085.1 Ų85.147%0.47145%0.453SS..EExtended strand (participates in β ladder)trans-148155.6178.6-176.260.7000111.3I227 I262I227-L260 HydrophobicContact CB-CB 4.08Å; I227-L260 HydrophobicContact CG1-CB 4.37Å; I227-L260 PolarHBondContact N-O 2.86Å; I227-L260 PolarHBondContact O-N 2.98Å; L260-I262 HydrophobicContact CD2-CD1 3.97Å; L260-I262 HydrophobicContact CD2-CG1 3.87Å; L260-I262 HydrophobicContact CG-CG1 3.98Å
261V98.6Very high96.6Very high18 Ų1886.6 Ų86.611%0.10946%0.456CS..EExtended strand (participates in β ladder)trans-127.2121171.4173.40000107.7N225 F238 A241 R242 K245 I258N225-V261 WeakPolarHBondContact O-CA 3.41Å; F238-V261 HydrophobicContact CD2-CG1 3.77Å; F238-V261 HydrophobicContact CE2-CG1 3.93Å; A241-V261 HydrophobicContact CB-CB 4.43Å; A241-V261 HydrophobicContact CB-CG1 3.42Å; A241-V261 VanDerWaalsContact CB-CG1 3.42Å; A241-V261 HydrophobicContact CB-CG2 4.08Å; R242-V261 HydrophobicContact CG-CG1 4.11Å; K245-V261 HydrophobicContact CB-CG2 4.05Å; K245-V261 HydrophobicContact CD-CG2 4.45Å; I258-V261 HydrophobicContact CG2-CG2 3.67Å
262I98.3Very high96.5Very high78 Ų7892.1 Ų92.140%0.448%0.484SS..EExtended strand (participates in β ladder)trans-110.6138-178.9-60.1-179.8000108.6N225 I227 L260N225-I262 PolarHBondContact N-O 3.41Å; N225-I262 PolarHBondContact O-N 3.27Å; I227-I262 HydrophobicContact CD1-CD1 4.26Å; I227-I262 HydrophobicContact CG1-CD1 3.96Å; I227-I262 HydrophobicContact CG1-CG1 4.06Å; L260-I262 HydrophobicContact CD2-CD1 3.97Å; L260-I262 HydrophobicContact CD2-CG1 3.87Å; L260-I262 HydrophobicContact CG-CG1 3.98Å
263K98.1Very high96.5Very high87 Ų8795.9 Ų95.938%0.37850%0.502SS..EExtended strand (participates in β ladder)trans-80.2121.6167.2179.8161.8173.2136.30109.2D223 F238 F265D223-K263 CarbonylContact O-C 3.6Å; D223-K263 VanDerWaalsContact O-CA 3.29Å; D223-K263 WeakPolarHBondContact O-CA 3.18Å; D223-K263 WeakPolarHBondContact OD2-CE 3.28Å; D223-K263 IonicContact OD2-NZ 2.66Å; D223-K263 PolarHBondContact OD2-NZ 2.94Å; F238-K263 HydrophobicContact CB-CB 4.4Å; F238-K263 HydrophobicContact CB-CD 4.49Å; F238-K263 HydrophobicContact CB-CG 4.43Å; F238-K263 HydrophobicContact CD1-CB 4.25Å; F238-K263 HydrophobicContact CD1-CD 4.29Å; F238-K263 HydrophobicContact CD2-CB 3.62Å; F238-K263 HydrophobicContact CE1-CB 4.4Å; F238-K263 HydrophobicContact CE2-CB 3.81Å; F238-K263 HydrophobicContact CG-CB 3.85Å; F238-K263 HydrophobicContact CG-CD 4.37Å; F238-K263 HydrophobicContact CG-CG 4.33Å; F238-K263 HydrophobicContact CZ-CB 4.18Å; K263-F265 HydrophobicContact CD-CE1 4.44Å; K263-F265 HydrophobicContact CD-CE2 4.16Å; K263-F265 HydrophobicContact CD-CZ 3.82Å; K263-F265 HydrophobicContact CG-CD2 4.47Å; K263-F265 HydrophobicContact CG-CE2 3.9Å; K263-F265 HydrophobicContact CG-CZ 4.07Å
264V96.8Very high96.4Very high39 Ų3996.2 Ų96.224%0.23650%0.504CS..  trans-92.6142.5177178.20000109.7D223 N225 L234D223-V264 PolarHBondContact O-N 3.37Å; N225-V264 HydrophobicContact CB-CG2 3.68Å; L234-V264 HydrophobicContact CD1-CB 4.32Å; L234-V264 HydrophobicContact CD1-CG2 3.97Å; L234-V264 HydrophobicContact CD2-CG1 4.29Å; L234-V264 HydrophobicContact CD2-CG2 4.47Å
265F94.9Very high96.3Very high164 Ų164100.1 Ų100.172%0.71952%0.519SS*.  trans-123126.1163.9-59.2-93.8000106.3K263K263-F265 HydrophobicContact CD-CE1 4.44Å; K263-F265 HydrophobicContact CD-CE2 4.16Å; K263-F265 HydrophobicContact CD-CZ 3.82Å; K263-F265 HydrophobicContact CG-CD2 4.47Å; K263-F265 HydrophobicContact CG-CE2 3.9Å; K263-F265 HydrophobicContact CG-CZ 4.07Å
266I89.7Confident96.2Very high132 Ų13296.3 Ų96.368%0.67751%0.51SS*.  trans-81.8140.6171.1-56.6173.2000106.7L210L210-I266 HydrophobicContact CB-CD1 4.48Å; L210-I266 HydrophobicContact CD1-CD1 4.35Å
267A86Confident96Very high167 Ų16794 Ų94100%1.3851%0.508SS*.  trans-136.20-173.100000110.3

Retrieved 267 of 267 residues in 65.9 ms (Link to these results)