A0A087X7X7_POEFO Loading...

Outer dense fiber of sperm tails 3-like 2a

AlphaFold DB , UniProt , Accession A0A087X7X7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 256 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
1M47.5Very low61.8Low247 Ų247170.5 Ų170.5100%1.21783%0.825SS**  099.30-73.3179.2-171.400106.5E3M1-E3 PolarHBondContact O-N 3.3Å
2E47.4Very low61.8Low192 Ų192163.8 Ų163.890%0.89781%0.808SS**  trans-73.1121.9177.7-81.3178.7141.500109.6V4E2-V4 PolarHBondContact O-N 3.4Å
3E53.7Low61.6Low185 Ų185155.7 Ų155.786%0.86478%0.783SS**  trans-71.4110.7172.3-122.3-173.6169.800108.7M1 V5M1-E3 PolarHBondContact O-N 3.3Å; E3-V5 PolarHBondContact O-N 2.98Å
4V60.2Low61.4Low127 Ų127160.1 Ų160.177%0.7779%0.786SS**  trans-65.699.1176.4176.80000108.9E2 R6E2-V4 PolarHBondContact O-N 3.4Å; V4-R6 HydrophobicContact CG1-CG 4.5Å; V4-R6 PolarHBondContact O-N 3.19Å
5V66.4Low61.3Low130 Ų130159.4 Ų159.479%0.78878%0.78SS**  trans-68.496.7174.3-178.40000108.8E3 K7E3-V5 PolarHBondContact O-N 2.98Å; V5-K7 PolarHBondContact O-N 3.37Å
6R66.9Low61.2Low212 Ų212162.3 Ų162.380%0.878%0.78SS**  trans-68.5104.2173-67.9-174.2179.4-1720.6109.4V4 R8V4-R6 HydrophobicContact CG1-CG 4.5Å; V4-R6 PolarHBondContact O-N 3.19Å; R6-R8 PolarHBondContact O-N 3.13Å; R6-R8 VanDerWaalsContact O-N 3.08Å
7K67.4Low61.4Low208 Ų208155.8 Ų155.890%0.90477%0.765SS**  trans-62108170-89.6-177.9175.2176.60109.4V5V5-K7 PolarHBondContact O-N 3.37Å
8R69.9Low61.8Low201 Ų201150.1 Ų150.176%0.75874%0.742SS**  trans-89.3147.1169.9-60.1-178.5-174.4-173.91.3108.8R6R6-R8 PolarHBondContact O-N 3.13Å; R6-R8 VanDerWaalsContact O-N 3.08Å
9P67.8Low61.8Low112 Ų112144.4 Ų144.473%0.72773%0.725SS**  trans-58.8142.617724.4-33.1000110.6I11P9-I11 PolarHBondContact O-N 3.31Å; P9-I11 VanDerWaalsContact O-N 3.17Å
10I68.6Low61.8Low150 Ų150143.6 Ų143.677%0.76973%0.731SS**  trans-70.8111.1177.2-66.6163.2000107.4
11I64.1Low61.7Low112 Ų112141.6 Ų141.657%0.57474%0.736SS**  trans-92.4122.8177.2-49.6171.2000107P9 A13 R14P9-I11 PolarHBondContact O-N 3.31Å; P9-I11 VanDerWaalsContact O-N 3.17Å; I11-A13 HydrophobicContact CG2-CB 4.21Å; I11-A13 PolarHBondContact O-N 3.09Å; I11-R14 WeakPolarHBondContact O-CB 3.45Å; I11-R14 PolarHBondContact O-N 3.14Å
12S61.8Low62.6Low89 Ų89139.5 Ų139.562%0.62272%0.715SS**G310 helixtrans-49.5-26.3-178.9166.90000114.1R14 E15S12-R14 PolarHBondContact O-N 3.09Å; S12-R14 VanDerWaalsContact O-N 3.16Å; S12-E15 PolarHBondContact O-N 3.29Å
13A58.4Low63.5Low59 Ų59137.7 Ų137.749%0.48870%0.701SS.*G310 helixtrans-59.6-23.5174.600000114.4I11 E15I11-A13 HydrophobicContact CG2-CB 4.21Å; I11-A13 PolarHBondContact O-N 3.09Å; A13-E15 VanDerWaalsContact C-N 3.34Å
14R59.8Low64.2Low218 Ų218133.6 Ų133.682%0.82370%0.699SS**G310 helixtrans-77.5-17.4174.8-81.9-178.7152.6-165.5-8.4113.8I11 S12 R16I11-R14 WeakPolarHBondContact O-CB 3.45Å; I11-R14 PolarHBondContact O-N 3.14Å; S12-R14 PolarHBondContact O-N 3.09Å; S12-R14 VanDerWaalsContact O-N 3.16Å; R14-R16 VanDerWaalsContact C-N 3.34Å
15E59.9Low64.8Low149 Ų149134.6 Ų134.670%0.69670%0.699SS**G310 helixtrans-93.14.2174.5-62.7-172.9163.800112.5S12 A13 G17S12-E15 PolarHBondContact O-N 3.29Å; A13-E15 VanDerWaalsContact C-N 3.34Å; E15-G17 PolarHBondContact O-N 3.06Å
16R59Low65.3Low206 Ų206131.4 Ų131.478%0.77768%0.681SS**  trans-64.5107.1171.6-73.7-176.4178.7-179.4-0.1107.5R14R14-R16 VanDerWaalsContact C-N 3.34Å
17G65.1Low65.8Low52 Ų52124.5 Ų124.554%0.53666%0.663SS.*  trans-45.5158.116800000110.5E15 G19E15-G17 PolarHBondContact O-N 3.06Å; G17-G19 PolarHBondContact O-N 3.08Å
18P68.6Low66.1Low53 Ų53117.7 Ų117.734%0.34464%0.64SS.*SBendtrans-42.1120.9-172.119.9-34.8000111.2R22 Y23P18-R22 HydrophobicContact CB-CB 3.53Å; P18-R22 VanDerWaalsContact CB-CD 3.49Å; P18-R22 HydrophobicContact CB-CG 4.08Å; P18-Y23 HydrophobicContact CB-CE2 4.35Å; P18-Y23 HydrophobicContact CG-CE1 4.41Å; P18-Y23 HydrophobicContact CG-CE2 3.8Å; P18-Y23 VanDerWaalsContact CG-OH 3.29Å; P18-Y23 WeakPolarHBondContact CG-OH 3.39Å; P18-Y23 WeakPolarHBondContact O-CE2 3.49Å
19G62.4Low66.3Low41 Ų41112.7 Ų112.742%0.42363%0.631SS.*  trans-54.1161.1-176.900000111.4G17 A21 R22G17-G19 PolarHBondContact O-N 3.08Å; G19-A21 PolarHBondContact O-N 3.17Å; G19-R22 PolarHBondContact O-N 3.24Å
20P61.4Low66.6Low129 Ų129107.9 Ų107.984%0.83860%0.602SS**G310 helixtrans-54.4-22.3-171.119.6-32.2000114.5
21A59.7Low66.8Low102 Ų102110 Ų11084%0.84360%0.602SS**G310 helixtrans-77.5-9.5174.500000115.4G19G19-A21 PolarHBondContact O-N 3.17Å
22R65.3Low67.5Low203 Ų203109.7 Ų109.777%0.76660%0.6SS**G310 helixtrans-86.4-16.5178.1-130.3-165.1-86.8-145.6-9113.3P18 G19 A24P18-R22 HydrophobicContact CB-CB 3.53Å; P18-R22 VanDerWaalsContact CB-CD 3.49Å; P18-R22 HydrophobicContact CB-CG 4.08Å; G19-R22 PolarHBondContact O-N 3.24Å; R22-A24 PolarHBondContact O-N 2.92Å
23Y67Low68.3Low153 Ų153111.7 Ų111.760%0.660%0.604SS**SBendtrans-93.394.5171.5-60.9-76.4000108.1P18 L25P18-Y23 HydrophobicContact CB-CE2 4.35Å; P18-Y23 HydrophobicContact CG-CE1 4.41Å; P18-Y23 HydrophobicContact CG-CE2 3.8Å; P18-Y23 VanDerWaalsContact CG-OH 3.29Å; P18-Y23 WeakPolarHBondContact CG-OH 3.39Å; P18-Y23 WeakPolarHBondContact O-CE2 3.49Å; Y23-L25 PolarHBondContact O-N 2.94Å
24A68.8Low69.4Low100 Ų100109.8 Ų109.883%0.82658%0.584SS**  trans-70.294.5172.700000108.7R22R22-A24 PolarHBondContact O-N 2.92Å
25L73.1Confident70.5Confident147 Ų147101.1 Ų101.177%0.7755%0.554SS**PPolyproline II helixtrans-68142.5171.3-67.8174.6000109.4Y23Y23-L25 PolarHBondContact O-N 2.94Å
26P76.4Confident71.4Confident63 Ų63103.6 Ų103.641%0.40956%0.563SS.*PPolyproline II helixtrans-61.7142176.3-11.423.1000110.6N33 D35P26-N33 WeakPolarHBondContact CB-O 3.24Å; P26-D35 HydrophobicContact CB-CB 4.02Å; P26-D35 HydrophobicContact CG-CB 4.26Å
27P76.4Confident72.5Confident67 Ų6799.5 Ų99.544%0.43556%0.561SS.*PPolyproline II helixtrans-61.7146.2177.825.8-36.5000112N33 H34 D35P27-N33 VanDerWaalsContact CD-O 3.24Å; P27-N33 WeakPolarHBondContact CD-O 3.19Å; P27-H34 WeakPolarHBondContact O-CA 3.46Å; P27-H34 PolarHBondContact O-CD2 2.92Å; P27-D35 PolarHBondContact O-N 3.01Å
28T74.8Confident73.2Confident66 Ų66102.3 Ų102.341%0.40556%0.559SS.*SBendtrans-96.47.7174.1580000113H34 K38T28-H34 VanDerWaalsContact C-CD2 3.42Å; T28-H34 PolarHBondContact O-NE2 3.47Å; T28-K38 HydrophobicContact CG2-CD 3.87Å
29V74.4Confident73.7Confident95 Ų95105.8 Ų105.858%0.57658%0.581SS**BIsolated β-bridgetrans-122.3126.6-174.7-176.80000109.4
30G73.1Confident74.3Confident11 Ų11106.8 Ų106.811%0.11358%0.582CS.*SBendtrans85-174-178.500000113.6H34 S40G30-H34 WeakPolarHBondContact O-CB 3.37Å; G30-H34 PolarHBondContact O-CD2 3.16Å; G30-S40 PolarHBondContact O-OG 2.89Å
31Y73.9Confident74.8Confident196 Ų196103.3 Ų103.377%0.76956%0.561SS**SBendtrans-106.3-20.8-171.665.1-89.4000113.8
32I78.5Confident75.1Confident104 Ų104103.1 Ų103.153%0.53355%0.551SS.*THydrogen-bonded Turntrans-85.7122-179.1-55.1178.4000108.5H34I32-H34 VanDerWaalsContact C-N 3.26Å; I32-H34 PolarHBondContact O-N 2.89Å
33N77.3Confident75.3Confident132 Ų13296.5 Ų96.571%0.70654%0.539SS*.THydrogen-bonded Turntrans59.728.8179.9-56.9-29.2000114.7P26 P27P26-N33 WeakPolarHBondContact CB-O 3.24Å; P27-N33 VanDerWaalsContact CD-O 3.24Å; P27-N33 WeakPolarHBondContact CD-O 3.19Å
34H83.3Confident75.2Confident18 Ų1898.2 Ų98.28%0.08355%0.546CS..  trans-72.9141.7178.8-179.1-83.8000112.5P27 T28 G30 I32 F36 K38 S40P27-H34 WeakPolarHBondContact O-CA 3.46Å; P27-H34 PolarHBondContact O-CD2 2.92Å; T28-H34 VanDerWaalsContact C-CD2 3.42Å; T28-H34 PolarHBondContact O-NE2 3.47Å; G30-H34 WeakPolarHBondContact O-CB 3.37Å; G30-H34 PolarHBondContact O-CD2 3.16Å; I32-H34 VanDerWaalsContact C-N 3.26Å; I32-H34 PolarHBondContact O-N 2.89Å; H34-F36 PolarHBondContact O-N 3.23Å; H34-F36 VanDerWaalsContact O-N 3.16Å; H34-K38 PolarHBondContact CE1-O 3.12Å; H34-S40 VanDerWaalsContact NE2-CA 3.34Å; H34-S40 WeakPolarHBondContact NE2-CA 3.49Å; H34-S40 WeakPolarHBondContact NE2-CB 3.02Å
35D82.8Confident74.9Confident36 Ų3698.5 Ų98.519%0.19354%0.542CS..  trans-67.8105172.7-177.2-5000111.6P26 P27 T37 K38P26-D35 HydrophobicContact CB-CB 4.02Å; P26-D35 HydrophobicContact CG-CB 4.26Å; P27-D35 PolarHBondContact O-N 3.01Å; D35-T37 VanDerWaalsContact CG-OG1 3.24Å; D35-T37 PolarHBondContact O-N 3.22Å; D35-T37 WeakPolarHBondContact OD1-CB 3.43Å; D35-T37 PolarHBondContact OD1-N 3.43Å; D35-T37 PolarHBondContact OD1-OG1 3.25Å; D35-T37 PolarHBondContact OD2-OG1 3.37Å; D35-K38 PolarHBondContact O-N 3.12Å; D35-K38 WeakPolarHBondContact OD2-CE 3.29Å
36F77.4Confident74.2Confident202 Ų202100.2 Ų100.289%0.88654%0.544SS*.THydrogen-bonded Turntrans-59.7-16.5-178-60.4-77.1000114.9H34 K38H34-F36 PolarHBondContact O-N 3.23Å; H34-F36 VanDerWaalsContact O-N 3.16Å; F36-K38 VanDerWaalsContact C-N 3.28Å
37T82.8Confident73.2Confident119 Ų119105.2 Ų105.273%0.7356%0.561SS**THydrogen-bonded Turntrans-79.9-10178.4680000113.3D35D35-T37 VanDerWaalsContact CG-OG1 3.24Å; D35-T37 PolarHBondContact O-N 3.22Å; D35-T37 WeakPolarHBondContact OD1-CB 3.43Å; D35-T37 PolarHBondContact OD1-N 3.43Å; D35-T37 PolarHBondContact OD1-OG1 3.25Å; D35-T37 PolarHBondContact OD2-OG1 3.37Å
38K80.7Confident72.4Confident112 Ų112105.1 Ų105.149%0.48757%0.573SS.*SBendtrans-116.7155.4-176.5-61.9-171.8-174.6-166.70111.6T28 H34 D35 F36 S40T28-K38 HydrophobicContact CG2-CD 3.87Å; H34-K38 PolarHBondContact CE1-O 3.12Å; D35-K38 PolarHBondContact O-N 3.12Å; D35-K38 WeakPolarHBondContact OD2-CE 3.29Å; F36-K38 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 3.35Å
39P78.4Confident71.4Confident125 Ų125113.8 Ų113.881%0.81260%0.598SS**PPolyproline II helixtrans-71.3126.2173.627.7-32.7000110.7
40S75.5Confident70.3Confident63 Ų63118 Ų11844%0.44161%0.613SS.*PPolyproline II helixtrans-82.8129.5175.7-1780000111G30 H34 K38G30-S40 PolarHBondContact O-OG 2.89Å; H34-S40 VanDerWaalsContact NE2-CA 3.34Å; H34-S40 WeakPolarHBondContact NE2-CA 3.49Å; H34-S40 WeakPolarHBondContact NE2-CB 3.02Å; K38-S40 PolarHBondContact O-N 3.35Å
41S71.4Confident69.4Low56 Ų56122.1 Ų122.139%0.39264%0.641SS.*BIsolated β-bridgetrans-81.5139.9169.559.90000110.9A43S41-A43 PolarHBondContact O-N 3.36Å
42P66.7Low68.5Low97 Ų97119.8 Ų119.863%0.6365%0.647SS**PPolyproline II helixtrans-61.1130-179.323.2-32000111.8Y44P42-Y44 HydrophobicContact CB-CD2 4.47Å; P42-Y44 HydrophobicContact CB-CE2 3.78Å; P42-Y44 HydrophobicContact CG-CE2 3.97Å
43A68.5Low67.3Low64 Ų64117.9 Ų117.953%0.52965%0.647SS.*  trans-97.1112.917500000110.1S41S41-A43 PolarHBondContact O-N 3.36Å
44Y64.8Low66Low189 Ų189120.9 Ų120.974%0.74166%0.659SS**  trans-97.4120.5173.7-65.4-80.8000109.2P42P42-Y44 HydrophobicContact CB-CD2 4.47Å; P42-Y44 HydrophobicContact CB-CE2 3.78Å; P42-Y44 HydrophobicContact CG-CE2 3.97Å
45S63.7Low64.4Low107 Ų107126.1 Ų126.175%0.74869%0.686SS**  trans-87.1119.5169.153.70000108.9H47S45-H47 PolarHBondContact O-N 2.97Å
46F56.8Low63.1Low182 Ų182129.9 Ų129.980%0.79872%0.715SS**SBendtrans-80.2101.8162.4-64.2-79000106
47H55.7Low61.8Low168 Ų168126.1 Ų126.178%0.77870%0.703SS**SBendtrans88.1124.7173.6-45.784.1000115.9S45S45-H47 PolarHBondContact O-N 2.97Å
48G59.5Low60.4Low66 Ų66127.9 Ų127.968%0.6871%0.708SS**PPolyproline II helixtrans-71.6139.516600000109.9M50G48-M50 PolarHBondContact O-N 3.47Å
49R53.3Low58.9Low248 Ų248127.9 Ų127.994%0.93672%0.722SS**PPolyproline II helixtrans-62.2119.5176.4-51.3-173.5-144-88.41.6108.3S51R49-S51 PolarHBondContact O-N 2.87Å
50M51.3Low57.6Low182 Ų182126.2 Ų126.290%0.89771%0.713SS**PPolyproline II helixtrans-63125.3172-66.917968.700108.1G48G48-M50 PolarHBondContact O-N 3.47Å
51S56Low56.4Low98 Ų98130.1 Ų130.169%0.68574%0.737SS**PPolyproline II helixtrans-67.6143.8173.564.20000109.5R49 A53R49-S51 PolarHBondContact O-N 2.87Å; S51-A53 PolarHBondContact O-N 2.92Å
52T55.2Low55.7Low148 Ų148129.3 Ų129.391%0.90874%0.738SS**SBendtrans-66.215.6178.2-52.40000113.6M54T52-M54 VanDerWaalsContact C-N 3.34Å; T52-M54 PolarHBondContact O-N 3.39Å
53A52.4Low55Low64 Ų64128.7 Ų128.753%0.52973%0.734SS.*  trans-8088.9172.200000108.6S51 I55S51-A53 PolarHBondContact O-N 2.92Å; A53-I55 PolarHBondContact O-N 3.12Å
54M49.8Very low54.5Low194 Ų194136.6 Ų136.696%0.95675%0.75SS**  trans-6569.4169.9-168.6-171.5-74.600109.8T52T52-M54 VanDerWaalsContact C-N 3.34Å; T52-M54 PolarHBondContact O-N 3.39Å
55I49.9Very low54.1Low129 Ų129136.4 Ų136.466%0.66275%0.749SS**  trans-114.2117.2168.8-58.6172.7000105.6A53 I57A53-I55 PolarHBondContact O-N 3.12Å; I55-I57 PolarHBondContact O-N 3.44Å
56S54.7Low54.2Low114 Ų114141.4 Ų141.480%0.79775%0.753SS**  trans-46.395.9175.351.60000111.2
57I51.5Low54.6Low124 Ų124137.2 Ų137.264%0.63674%0.743SS**  trans-93.1111.7162.5-63.1168.3000104.3I55 S59I55-I57 PolarHBondContact O-N 3.44Å; I57-S59 VanDerWaalsContact C-N 3.3Å; I57-S59 PolarHBondContact O-N 3.49Å; I57-S59 PolarHBondContact O-OG 2.9Å
58D52.9Low55.1Low155 Ų155130.8 Ų130.883%0.82972%0.721SS**  trans-40.395.6170.7-74.5-42.4000110.3S60D58-S60 PolarHBondContact O-N 2.99Å
59S49.4Very low55.9Low112 Ų112131.5 Ų131.578%0.78373%0.729SS**  trans-88.670-178.2-66.60000107.3I57I57-S59 VanDerWaalsContact C-N 3.3Å; I57-S59 PolarHBondContact O-N 3.49Å; I57-S59 PolarHBondContact O-OG 2.9Å
60S51.2Low56.9Low90 Ų90125.6 Ų125.663%0.62971%0.71SS**  trans-75.6134.2157.660.40000107.4D58 G62D58-S60 PolarHBondContact O-N 2.99Å; S60-G62 PolarHBondContact O-N 3.28Å
61P50.2Low58.2Low145 Ų145121.4 Ų121.494%0.94269%0.691SS**SBendtrans-74.540.3177.932.8-35.4000111.1
62G55.8Low59.3Low39 Ų39119.8 Ų119.840%0.40268%0.677SS.*SBendtrans-111137.217900000109.8S60 R64S60-G62 PolarHBondContact O-N 3.28Å; G62-R64 PolarHBondContact O-N 2.78Å
63P53.1Low60.4Low84 Ų84123.5 Ų123.555%0.54567%0.674SS.*  trans-52.6118.5170.219.5-30.6000109.9Y65P63-Y65 HydrophobicContact CB-CD2 4.36Å; P63-Y65 HydrophobicContact CB-CE1 4.01Å; P63-Y65 HydrophobicContact CB-CE2 3.87Å; P63-Y65 HydrophobicContact CG-CD2 4.2Å; P63-Y65 HydrophobicContact CG-CE1 4.22Å; P63-Y65 HydrophobicContact CG-CE2 3.37Å; P63-Y65 VanDerWaalsContact CG-OH 3.24Å; P63-Y65 WeakPolarHBondContact CG-OH 3.49Å; P63-Y65 VanDerWaalsContact O-CD2 3.3Å; P63-Y65 WeakPolarHBondContact O-CD2 3.35Å; P63-Y65 PolarHBondContact O-N 3.05Å
64R56.4Low61.7Low231 Ų231128.9 Ų128.987%0.87269%0.686SS**  trans-67.582.9173.4-175.9178.4174.2156.4-0.8108.5G62 Y66G62-R64 PolarHBondContact O-N 2.78Å; R64-Y66 PolarHBondContact O-N 2.86Å
65Y57.9Low63Low185 Ų185121.2 Ų121.273%0.72566%0.656SS**  trans-70.7117.4172.5-61.6-67.1000108.6P63 V67P63-Y65 HydrophobicContact CB-CD2 4.36Å; P63-Y65 HydrophobicContact CB-CE1 4.01Å; P63-Y65 HydrophobicContact CB-CE2 3.87Å; P63-Y65 HydrophobicContact CG-CD2 4.2Å; P63-Y65 HydrophobicContact CG-CE1 4.22Å; P63-Y65 HydrophobicContact CG-CE2 3.37Å; P63-Y65 VanDerWaalsContact CG-OH 3.24Å; P63-Y65 WeakPolarHBondContact CG-OH 3.49Å; P63-Y65 VanDerWaalsContact O-CD2 3.3Å; P63-Y65 WeakPolarHBondContact O-CD2 3.35Å; P63-Y65 PolarHBondContact O-N 3.05Å; Y65-V67 PolarHBondContact O-N 3.26Å
66Y65.1Low64.5Low211 Ų211123.1 Ų123.183%0.82766%0.655SS**  trans-67.6100.4164.2-179.7-98.1000107.9R64 G68R64-Y66 PolarHBondContact O-N 2.86Å; Y66-G68 PolarHBondContact O-N 2.67Å; Y66-G68 VanDerWaalsContact O-N 3.16Å
67V64.3Low65.6Low95 Ų95121.9 Ų121.958%0.57664%0.643SS**  trans-75.6102.6171.7-175.20000106.8Y65 G69 L71Y65-V67 PolarHBondContact O-N 3.26Å; V67-G69 PolarHBondContact O-N 3.09Å; V67-L71 HydrophobicContact CG1-CB 3.94Å; V67-L71 HydrophobicContact CG1-CD2 3.76Å; V67-L71 HydrophobicContact CG1-CG 4.42Å
68G67.5Low66.7Low32 Ų32119.9 Ų119.933%0.3363%0.631SS.*  trans-57.2137.3177.400000110.6Y66 K70 L71Y66-G68 PolarHBondContact O-N 2.67Å; Y66-G68 VanDerWaalsContact O-N 3.16Å; G68-K70 PolarHBondContact O-N 3.14Å; G68-L71 PolarHBondContact O-N 3.24Å
69G75.1Confident67.8Low82 Ų82118.5 Ų118.585%0.84563%0.628SS**THydrogen-bonded Turntrans-61.12.7-173.100000116.4V67V67-G69 PolarHBondContact O-N 3.09Å
70K75.7Confident69Low123 Ų123117.5 Ų117.554%0.53562%0.619SS.*THydrogen-bonded Turntrans-99.87.8175-53-176.2-174.9177.70112.6G68 R76 T77 E78G68-K70 PolarHBondContact O-N 3.14Å; K70-R76 CarbonylContact O-C 3.43Å; K70-R76 WeakPolarHBondContact O-CA 3.17Å; K70-T77 PolarHBondContact O-N 3.02Å; K70-T77 PolarHBondContact O-OG1 3.15Å; K70-T77 VanDerWaalsContact O-OG1 3.12Å; K70-E78 HydrophobicContact CB-CG 4.03Å; K70-E78 HydrophobicContact CD-CG 3.54Å; K70-E78 HydrophobicContact CG-CG 4.41Å
71L77.9Confident69.8Low95 Ų95118.7 Ų118.750%0.49763%0.627SS.*EExtended strand (participates in β ladder)trans-102114.7178.6-163.774000110.1V67 G68 R76V67-L71 HydrophobicContact CG1-CB 3.94Å; V67-L71 HydrophobicContact CG1-CD2 3.76Å; V67-L71 HydrophobicContact CG1-CG 4.42Å; G68-L71 PolarHBondContact O-N 3.24Å; L71-R76 HydrophobicContact CD1-CB 4.41Å; L71-R76 HydrophobicContact CD1-CG 3.29Å
72T79.6Confident70.7Confident64 Ų64121.2 Ų121.239%0.39362%0.619SS.*EExtended strand (participates in β ladder)trans-108.3169.7175.970.20000111F74 G75 T77T72-F74 PolarHBondContact O-N 3.18Å; T72-F74 PolarHBondContact OG1-N 3.17Å; T72-G75 PolarHBondContact N-O 3.42Å; T72-G75 PolarHBondContact O-N 3.26Å; T72-G75 PolarHBondContact OG1-O 3.04Å; T72-T77 HydrophobicContact CG2-CG2 3.5Å; T72-T77 VanDerWaalsContact CG2-CG2 3.5Å
73R77.1Confident71.2Confident226 Ų226123.2 Ų123.285%0.85363%0.627SS**THydrogen-bonded Turntrans-54.7-25.2175.4-177.5171.161.1-173.9-3.1113.6
74F79.8Confident71.7Confident177 Ų177128.6 Ų128.678%0.77665%0.648SS**THydrogen-bonded Turntrans-97.51.8179.7-57.4-71.4000113.5T72T72-F74 PolarHBondContact O-N 3.18Å; T72-F74 PolarHBondContact OG1-N 3.17Å
75G78.8Confident72.1Confident32 Ų32121.8 Ų121.833%0.3364%0.635SS.*EExtended strand (participates in β ladder)trans121.3-169.2-179.100000113.5T72 T77T72-G75 PolarHBondContact N-O 3.42Å; T72-G75 PolarHBondContact O-N 3.26Å; T72-G75 PolarHBondContact OG1-O 3.04Å; G75-T77 PolarHBondContact O-N 3.14Å
76R79.9Confident72Confident170 Ų170116.4 Ų116.464%0.64264%0.636SS**EExtended strand (participates in β ladder)trans-76123.3-179.8-68.5176.479.4168.6-0.6110.6K70 L71 E78K70-R76 CarbonylContact O-C 3.43Å; K70-R76 WeakPolarHBondContact O-CA 3.17Å; L71-R76 HydrophobicContact CD1-CB 4.41Å; L71-R76 HydrophobicContact CD1-CG 3.29Å; R76-E78 IonicContact CZ-OE1 3.83Å; R76-E78 IonicContact CZ-OE2 2.79Å; R76-E78 IonicContact NE-OE1 3.92Å; R76-E78 PolarHBondContact NE-OE1 2.87Å; R76-E78 IonicContact NE-OE2 2.78Å; R76-E78 IonicContact NH2-OE1 3.33Å; R76-E78 PolarHBondContact NH2-OE1 3.33Å; R76-E78 IonicContact NH2-OE2 3.43Å; R76-E78 PolarHBondContact NH2-OE2 2.63Å; R76-E78 PolarHBondContact O-N 3.3Å; R76-E78 VanDerWaalsContact O-N 3.11Å
77T78.4Confident71.8Confident87 Ų87117.5 Ų117.553%0.53464%0.639SS.*  trans-83.669169.4530000109.2K70 T72 G75K70-T77 PolarHBondContact O-N 3.02Å; K70-T77 PolarHBondContact O-OG1 3.15Å; K70-T77 VanDerWaalsContact O-OG1 3.12Å; T72-T77 HydrophobicContact CG2-CG2 3.5Å; T72-T77 VanDerWaalsContact CG2-CG2 3.5Å; G75-T77 PolarHBondContact O-N 3.14Å
78E73.8Confident71.1Confident83 Ų83116.4 Ų116.439%0.38865%0.647SS.*  trans-122.3146.1171.9-75.7173.8-151.900108.7K70 R76K70-E78 HydrophobicContact CB-CG 4.03Å; K70-E78 HydrophobicContact CD-CG 3.54Å; K70-E78 HydrophobicContact CG-CG 4.41Å; R76-E78 IonicContact CZ-OE1 3.83Å; R76-E78 IonicContact CZ-OE2 2.79Å; R76-E78 IonicContact NE-OE1 3.92Å; R76-E78 PolarHBondContact NE-OE1 2.87Å; R76-E78 IonicContact NE-OE2 2.78Å; R76-E78 IonicContact NH2-OE1 3.33Å; R76-E78 PolarHBondContact NH2-OE1 3.33Å; R76-E78 IonicContact NH2-OE2 3.43Å; R76-E78 PolarHBondContact NH2-OE2 2.63Å; R76-E78 PolarHBondContact O-N 3.3Å; R76-E78 VanDerWaalsContact O-N 3.11Å
79T77.3Confident70.2Confident125 Ų125126 Ų12677%0.76767%0.673SS**  trans-62.9149.316748.70000109.1S81T79-S81 PolarHBondContact O-N 3.5Å
80P74.6Confident69.1Low91 Ų91133.7 Ų133.759%0.59168%0.677SS**  trans-54.8118.218019.2-30.3000110.4Y82P80-Y82 HydrophobicContact CB-CE2 3.96Å; P80-Y82 HydrophobicContact CG-CE2 3.94Å; P80-Y82 VanDerWaalsContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CE2 3.16Å; P80-Y82 PolarHBondContact O-N 2.58Å
81S67.3Low67.8Low115 Ų115135.3 Ų135.380%0.80469%0.689SS**  trans-84.1113.1177-176.90000109.1T79T79-S81 PolarHBondContact O-N 3.5Å
82Y69.5Low66.6Low198 Ų198133.4 Ų133.478%0.77669%0.692SS**  trans-93.7120.2175.4-59.5-80.8000109.1P80P80-Y82 HydrophobicContact CB-CE2 3.96Å; P80-Y82 HydrophobicContact CG-CE2 3.94Å; P80-Y82 VanDerWaalsContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CE2 3.16Å; P80-Y82 PolarHBondContact O-N 2.58Å
83S67Low65.2Low81 Ų81138.8 Ų138.857%0.56671%0.71SS**  trans-89.4125.1170.471.40000109.8S85S83-S85 PolarHBondContact O-N 3.16Å; S83-S85 PolarHBondContact OG-O 3.34Å
84M62.4Low63.8Low198 Ų198139.2 Ų139.298%0.97571%0.712SS**SBendtrans-73-13.7171.9-64.4-145.9-61.100112.8
85S64.3Low62.5Low87 Ų87137.6 Ų137.661%0.60871%0.711SS**SBendtrans-82.6120.8168.250.60000109.4S83 R87S83-S85 PolarHBondContact O-N 3.16Å; S83-S85 PolarHBondContact OG-O 3.34Å; S85-R87 PolarHBondContact O-N 3.4Å
86G56.1Low61.3Low72 Ų72142.6 Ų142.674%0.74273%0.726SS**PPolyproline II helixtrans-57.9128.216900000109.1G88G86-G88 PolarHBondContact O-N 2.86Å
87R60.8Low60.1Low235 Ų235138.9 Ų138.989%0.88772%0.724SS**PPolyproline II helixtrans-50121.1167.7-77.4-161.4-95-120.11.1107.2S85 R89S85-R87 PolarHBondContact O-N 3.4Å; R87-R89 PolarHBondContact O-N 2.92Å
88G50.6Low59Low72 Ų72144 Ų14474%0.74274%0.739SS**PPolyproline II helixtrans-46.7116.4-178.700000108.8G86 R90G86-G88 PolarHBondContact O-N 2.86Å; G88-R90 PolarHBondContact O-N 2.74Å
89R49Very low58.4Low234 Ų234146.1 Ų146.188%0.88375%0.749SS**PPolyproline II helixtrans-48.7132.3171.1-73.7-173-177-154.41.3106.1R87 I91R87-R89 PolarHBondContact O-N 2.92Å; R89-I91 PolarHBondContact O-N 2.96Å; R89-I91 VanDerWaalsContact O-N 3.08Å
90R50.5Low57.7Low243 Ų243144.9 Ų144.992%0.91774%0.742SS**  trans-43125.7173.1-68.8-156.8-178.7-150.43.3107.1G88 G92G88-R90 PolarHBondContact O-N 2.74Å; R90-G92 PolarHBondContact O-N 3.23Å
91I48.8Very low57.8Low156 Ų156143.4 Ų143.480%0.873%0.732SS**  trans-68.970.9178.3-60.9159.8000107.1R89R89-I91 PolarHBondContact O-N 2.96Å; R89-I91 VanDerWaalsContact O-N 3.08Å
92G52.2Low58.1Low55 Ų55139.8 Ų139.857%0.56771%0.713SS**SBendtrans-69.7139.8136.700000105.9R90 R94R90-G92 PolarHBondContact O-N 3.23Å; G92-R94 PolarHBondContact O-N 2.67Å
93K50.7Low58.1Low177 Ų177137.2 Ų137.277%0.7772%0.721SS**  trans-39.2130.2-177.5-64.3-178.1176.9-176.10110.5D95 E96K93-D95 PolarHBondContact O-N 3.09Å; K93-E96 PolarHBondContact O-N 2.73Å
94R48.6Very low58.2Low236 Ų236137 Ų13789%0.89173%0.731SS**THydrogen-bonded Turntrans-62.30.5-171.9-77.7-163177.2-103.75.7115.3G92G92-R94 PolarHBondContact O-N 2.67Å
95D52.7Low58.9Low142 Ų142130.5 Ų130.576%0.75971%0.709SS**THydrogen-bonded Turntrans-112.2-1.9-173-54.1-41.5000114.5K93K93-D95 PolarHBondContact O-N 3.09Å
96E53.4Low59.2Low137 Ų137133.2 Ų133.264%0.6471%0.707SS**  trans-104.9113.1175.7-78.6-68.7147.500110.2K93K93-E96 PolarHBondContact O-N 2.73Å
97P54.7Low60.1Low93 Ų93132.7 Ų132.760%0.60469%0.692SS**  trans-57.4158.5163.424.4-26.5000108.7Q99P97-Q99 PolarHBondContact O-N 3.17Å; P97-Q99 PolarHBondContact O-OE1 3.27Å
98F55.3Low60.4Low193 Ų193126.4 Ų126.485%0.84668%0.682SS**  trans-60.888.8177.5-179-98.3000109.5T100F98-T100 HydrophobicContact CE1-CG2 4.17Å; F98-T100 PolarHBondContact O-N 2.9Å
99Q60.3Low61.5Low128 Ų128132.1 Ų132.160%0.59869%0.689SS**  trans-72.8109.7176.4-129.585.6-15.800106.4P97P97-Q99 PolarHBondContact O-N 3.17Å; P97-Q99 PolarHBondContact O-OE1 3.27Å
100T63.3Low62.4Low100 Ų100131.2 Ų131.261%0.61369%0.686SS**PPolyproline II helixtrans-56.6126.6163.931.10000107.5F98 G102F98-T100 HydrophobicContact CE1-CG2 4.17Å; F98-T100 PolarHBondContact O-N 2.9Å; T100-G102 PolarHBondContact O-N 3.16Å
101P75.6Confident63.1Low59 Ų59122.3 Ų122.338%0.38366%0.664SS.*PPolyproline II helixtrans-56.5134.8-179.114.9-22.6000109.2A105 Y106P101-A105 HydrophobicContact CB-CB 3.68Å; P101-Y106 HydrophobicContact CB-CE2 4.28Å; P101-Y106 HydrophobicContact CG-CD1 4.26Å; P101-Y106 HydrophobicContact CG-CE1 3.74Å; P101-Y106 HydrophobicContact CG-CE2 4.04Å; P101-Y106 WeakPolarHBondContact O-CE2 3.46Å
102G74.9Confident63.8Low39 Ų39119.2 Ų119.240%0.40265%0.654SS.*PPolyproline II helixtrans-62.2167.2178.400000112T100 G104 A105T100-G102 PolarHBondContact O-N 3.16Å; G102-G104 PolarHBondContact O-N 3.13Å; G102-A105 PolarHBondContact O-N 2.76Å
103P69.1Low64.5Low145 Ų145120.9 Ų120.994%0.94266%0.655SS**THydrogen-bonded Turntrans-61.4-1.5-171.321.7-32.4000116.7
104G69.6Low65Low76 Ų76121.1 Ų121.178%0.78466%0.663SS**THydrogen-bonded Turntrans-1211.9170.900000114.8G102G102-G104 PolarHBondContact O-N 3.13Å
105A75.7Confident65.2Low62 Ų62114.2 Ų114.251%0.51264%0.644SS.*THydrogen-bonded Turntrans-92.9-7.1179.500000112.8P101 G102 S107P101-A105 HydrophobicContact CB-CB 3.68Å; G102-A105 PolarHBondContact O-N 2.76Å; A105-S107 PolarHBondContact O-N 3.41Å
106Y72Confident65.5Low144 Ų144112.7 Ų112.757%0.56565%0.651SS**  trans-74.1116.8169-67.9-86.4000109.2P101 P108P101-Y106 HydrophobicContact CB-CE2 4.28Å; P101-Y106 HydrophobicContact CG-CD1 4.26Å; P101-Y106 HydrophobicContact CG-CE1 3.74Å; P101-Y106 HydrophobicContact CG-CE2 4.04Å; P101-Y106 WeakPolarHBondContact O-CE2 3.46Å; Y106-P108 VanDerWaalsContact C-CD 3.45Å; Y106-P108 VanDerWaalsContact O-CD 3.23Å; Y106-P108 WeakPolarHBondContact O-CD 3.14Å
107S74.9Confident65.8Low61 Ų61113.2 Ų113.243%0.42765%0.654SS.*  trans-110.378.9168.8-57.30000108.8A105 E109 R110A105-S107 PolarHBondContact O-N 3.41Å; S107-E109 PolarHBondContact O-N 3.43Å; S107-R110 WeakPolarHBondContact O-CB 3.42Å; S107-R110 PolarHBondContact O-N 3.06Å
108P67.1Low65.9Low103 Ų103120.7 Ų120.767%0.66967%0.67SS**G310 helixtrans-60.8-25.3-17826.3-34.7000112.3Y106 R110 A111Y106-P108 VanDerWaalsContact C-CD 3.45Å; Y106-P108 VanDerWaalsContact O-CD 3.23Å; Y106-P108 WeakPolarHBondContact O-CD 3.14Å; P108-R110 PolarHBondContact O-N 3.04Å; P108-A111 VanDerWaalsContact O-CB 3.24Å; P108-A111 WeakPolarHBondContact O-CB 3.43Å; P108-A111 PolarHBondContact O-N 3.01Å; P108-A111 VanDerWaalsContact O-N 3.11Å
109E73.3Confident66.1Low192 Ų192120.4 Ų120.490%0.89766%0.663SS**G310 helixtrans-66-24.9174.6-57.4-177.5172.300113.6S107S107-E109 PolarHBondContact O-N 3.43Å
110R68Low65.9Low215 Ų215119.7 Ų119.781%0.81167%0.669SS**G310 helixtrans-88.3-11.9175.4-64.5-177.8176.2179.3-1.6112.3S107 P108S107-R110 WeakPolarHBondContact O-CB 3.42Å; S107-R110 PolarHBondContact O-N 3.06Å; P108-R110 PolarHBondContact O-N 3.04Å
111A64.9Low65.8Low56 Ų56119.1 Ų119.146%0.46367%0.667SS.*SBendtrans-64.7130.1170.700000107P108P108-A111 VanDerWaalsContact O-CB 3.24Å; P108-A111 WeakPolarHBondContact O-CB 3.43Å; P108-A111 PolarHBondContact O-N 3.01Å; P108-A111 VanDerWaalsContact O-N 3.11Å
112P64.5Low65.6Low91 Ų91121.9 Ų121.959%0.59169%0.688SS**PPolyproline II helixtrans-53.9134.817319-26.6000107.5L114P112-L114 PolarHBondContact O-N 3.16Å
113P66.8Low65.1Low90 Ų90129.4 Ų129.458%0.58471%0.706SS**PPolyproline II helixtrans-54.4136.9-17925.5-35.1000107.2N115P113-N115 WeakPolarHBondContact CB-OD1 3.47Å; P113-N115 PolarHBondContact O-N 3.2Å
114L60Low65Low181 Ų181127.1 Ų127.195%0.94869%0.689SS**  trans-70.959.7-179.2-146.9122.2000108.2P112 A116P112-L114 PolarHBondContact O-N 3.16Å; L114-A116 PolarHBondContact O-N 2.97Å
115N54Low65.2Low91 Ų91132.2 Ų132.249%0.48770%0.697SS.*  trans-67.2123.4-178.6-69.2-12.3000105.4P113 H117P113-N115 WeakPolarHBondContact CB-OD1 3.47Å; P113-N115 PolarHBondContact O-N 3.2Å; N115-H117 PolarHBondContact O-N 3.18Å
116A57.7Low64.8Low110 Ų110133.7 Ų133.791%0.90970%0.703SS**SBendtrans-57.913.1175.800000114.5L114L114-A116 PolarHBondContact O-N 2.97Å
117H59.8Low64.7Low149 Ų149134.2 Ų134.269%0.6971%0.711SS**  trans-89.2118177.6-63.5-53.5000110.4N115 R119N115-H117 PolarHBondContact O-N 3.18Å; H117-R119 PolarHBondContact O-N 2.77Å
118R57.9Low64.6Low250 Ų250141.4 Ų141.494%0.94373%0.729SS**  trans-55105.2170.6-167.9178.9-173.3-142.83.3109.3
119R59Low64.3Low187 Ų187142.6 Ų142.671%0.70673%0.734SS**PPolyproline II helixtrans-83.9132.7173.6-73.4-176.5161.3-176.9-4.5109.5H117H117-R119 PolarHBondContact O-N 2.77Å
120P56.9Low63.8Low113 Ų113144 Ų14473%0.73473%0.731SS**PPolyproline II helixtrans-62.4145.5171.627.1-33000109.4S122P120-S122 PolarHBondContact O-N 2.98Å
121P60.8Low63.6Low87 Ų87144.2 Ų144.257%0.56573%0.734SS**PPolyproline II helixtrans-62.4122.6178.627-35.1000110.2Y123P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE1 4.3Å; P121-Y123 HydrophobicContact CB-CE2 3.45Å; P121-Y123 VanDerWaalsContact CB-CE2 3.45Å; P121-Y123 WeakPolarHBondContact CB-OH 3.47Å; P121-Y123 HydrophobicContact CG-CD2 4.31Å; P121-Y123 HydrophobicContact CG-CE2 3.42Å; P121-Y123 VanDerWaalsContact CG-CE2 3.42Å; P121-Y123 PolarHBondContact O-N 3.4Å
122S70.8Confident63.5Low118 Ų118152.6 Ų152.683%0.82575%0.753SS**  trans-86.2106.1173.561.40000109.5P120P120-S122 PolarHBondContact O-N 2.98Å
123Y65.3Low63.6Low196 Ų196153.8 Ų153.877%0.76976%0.764SS**  trans-98.7126.6175.5-60.3-74.3000109.9P121P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE1 4.3Å; P121-Y123 HydrophobicContact CB-CE2 3.45Å; P121-Y123 VanDerWaalsContact CB-CE2 3.45Å; P121-Y123 WeakPolarHBondContact CB-OH 3.47Å; P121-Y123 HydrophobicContact CG-CD2 4.31Å; P121-Y123 HydrophobicContact CG-CE2 3.42Å; P121-Y123 VanDerWaalsContact CG-CE2 3.42Å; P121-Y123 PolarHBondContact O-N 3.4Å
124T66.2Low63.5Low97 Ų97157.5 Ų157.560%0.59578%0.775SS**  trans-101.3124.3168.252.60000108.4S126T124-S126 PolarHBondContact O-N 2.78Å
125I74.8Confident63.8Low183 Ų183155.5 Ų155.594%0.93877%0.766SS**SBendtrans-70.7-20.7-178.8-59.5170.2000111.4
126S67.4Low64.7Low94 Ų94156.9 Ų156.966%0.65778%0.78SS**SBendtrans-153.4165.4175.4-168.20000111T124 R128T124-S126 PolarHBondContact O-N 2.78Å; S126-R128 PolarHBondContact O-N 2.98Å
127E69.9Low65.7Low155 Ų155157 Ų15772%0.72477%0.769SS**PPolyproline II helixtrans-59.1129.6170.9-170.5171.7-177.400109T129E127-T129 PolarHBondContact O-N 3.45Å; E127-T129 VanDerWaalsContact O-N 3.14Å
128R71Confident66.7Low211 Ų211152.6 Ų152.680%0.79675%0.754SS**PPolyproline II helixtrans-66.2118173.9-62.8179.3104.7133.91.5106.3S126 R130S126-R128 PolarHBondContact O-N 2.98Å; R128-R130 PolarHBondContact O-N 3.45Å; R128-R130 VanDerWaalsContact O-N 3.1Å
129T61.4Low67.9Low129 Ų129142.8 Ų142.879%0.79173%0.726SS**PPolyproline II helixtrans-52.1123.2174.7440000107.5E127 Y131E127-T129 PolarHBondContact O-N 3.45Å; E127-T129 VanDerWaalsContact O-N 3.14Å; T129-Y131 PolarHBondContact O-N 3.4Å; T129-Y131 VanDerWaalsContact O-N 3.13Å
130R62.9Low68.9Low220 Ų220139.8 Ų139.883%0.8373%0.73SS**PPolyproline II helixtrans-54.6127.4169.5-67.4-174.7-174.5-1751.3105.5R128 R132R128-R130 PolarHBondContact O-N 3.45Å; R128-R130 VanDerWaalsContact O-N 3.1Å; R130-R132 PolarHBondContact O-N 3.33Å
131Y63.2Low70.2Confident221 Ų221140.9 Ų140.987%0.86773%0.73SS**  trans-45.7124.2166.3-66.8-76.8000105.9T129 S133T129-Y131 PolarHBondContact O-N 3.4Å; T129-Y131 VanDerWaalsContact O-N 3.13Å; Y131-S133 PolarHBondContact O-N 2.84Å
132R63.6Low71.3Confident231 Ų231139.9 Ų139.987%0.87273%0.725SS**  trans-45.8133.8171.7-81.9-174.9168.3174-3.7105.8R130 M134R130-R132 PolarHBondContact O-N 3.33Å; R132-M134 VanDerWaalsContact C-N 3.34Å; R132-M134 PolarHBondContact O-N 2.95Å
133S65.8Low71.8Confident116 Ų116142 Ų14281%0.81172%0.716SS**  trans-48112.8166.6-172.90000104.5Y131 D135Y131-S133 PolarHBondContact O-N 2.84Å; S133-D135 PolarHBondContact O-N 3.09Å
134M65.1Low72.5Confident168 Ų168138.8 Ų138.883%0.82872%0.717SS**  trans-54.2132.8174.3-62.2-161.1-152.100104.5R132R132-M134 VanDerWaalsContact C-N 3.34Å; R132-M134 PolarHBondContact O-N 2.95Å
135D66.9Low73Confident139 Ų139141.8 Ų141.874%0.74373%0.729SS**  trans-48.3133.6166.3-77.5-40.1000106S133 V137S133-D135 PolarHBondContact O-N 3.09Å; D135-V137 PolarHBondContact O-N 2.64Å
136P73.4Confident73Confident120 Ų120136.3 Ų136.378%0.77971%0.705SS**  trans-65.386.5179.827.6-33.5000107.1P138P136-P138 WeakPolarHBondContact O-CD 3.39Å
137V78.1Confident73.3Confident114 Ų114133.6 Ų133.669%0.69169%0.692SS**  trans-71112.2171.2-178.40000103.9D135 A139D135-V137 PolarHBondContact O-N 2.64Å; V137-A139 PolarHBondContact O-N 3.2Å
138P81.6Confident73.3Confident56 Ų56133.7 Ų133.736%0.36470%0.697SS.*  trans-56.2140.3177.423.5-31.7000108.4P136 Y143P136-P138 WeakPolarHBondContact O-CD 3.39Å; P138-Y143 HydrophobicContact CG-CD1 4.38Å; P138-Y143 HydrophobicContact CG-CE1 3.8Å; P138-Y143 HydrophobicContact CG-CE2 4.34Å
139A82.3Confident73.2Confident43 Ų43130.4 Ų130.436%0.35569%0.694SS.*  trans-56.7155.9172.200000109.6V137 N141 S142V137-A139 PolarHBondContact O-N 3.2Å; A139-N141 WeakPolarHBondContact CB-OD1 3.36Å; A139-N141 PolarHBondContact O-N 2.85Å; A139-S142 WeakPolarHBondContact O-CA 3.13Å; A139-S142 WeakPolarHBondContact O-CB 3.32Å; A139-S142 PolarHBondContact O-N 2.96Å
140P79.3Confident73.6Confident124 Ų124124.9 Ų124.981%0.80566%0.663SS**THydrogen-bonded Turntrans-56.6-22.2-17818.6-31000113.9
141N84.2Confident73.7Confident137 Ų137120 Ų12073%0.73366%0.66SS**THydrogen-bonded Turntrans-90.9-2174.163.9-21.5000114.7A139A139-N141 WeakPolarHBondContact CB-OD1 3.36Å; A139-N141 PolarHBondContact O-N 2.85Å
142S84.7Confident73.9Confident65 Ų65115.6 Ų115.646%0.45565%0.647SS.*  trans-94.6-0.9-179.1-70.10000113.8A139 T144A139-S142 WeakPolarHBondContact O-CA 3.13Å; A139-S142 WeakPolarHBondContact O-CB 3.32Å; A139-S142 PolarHBondContact O-N 2.96Å; S142-T144 PolarHBondContact O-N 3.36Å; S142-T144 VanDerWaalsContact O-N 3.16Å
143Y81.4Confident74.5Confident163 Ų163105.6 Ų105.664%0.63961%0.612SS**  trans-75.3102.7171.4-65.7-80.6000109.6P138P138-Y143 HydrophobicContact CG-CD1 4.38Å; P138-Y143 HydrophobicContact CG-CE1 3.8Å; P138-Y143 HydrophobicContact CG-CE2 4.34Å
144T80.2Confident74.8Confident129 Ų129106.2 Ų106.279%0.79161%0.614SS**PPolyproline II helixtrans-93.6132.9168.451.60000109.5S142S142-T144 PolarHBondContact O-N 3.36Å; S142-T144 VanDerWaalsContact O-N 3.16Å
145L76.1Confident75.5Confident159 Ų159105.2 Ų105.283%0.83261%0.606SS**PPolyproline II helixtrans-71139.6169.8-64.6176000108.8
146P74Confident76Confident68 Ų68105 Ų10544%0.44260%0.599SS.*PPolyproline II helixtrans-58.6145.8171.125-32.2000109.7L148P146-L148 PolarHBondContact O-N 3.46Å
147G75.3Confident76Confident38 Ų38105.9 Ų105.939%0.39261%0.605SS.*PPolyproline II helixtrans-55.8130.1-179.200000111L149 Q152G147-L149 PolarHBondContact O-N 3.47Å; G147-Q152 WeakPolarHBondContact O-CB 3.24Å
148L68.9Low75.8Confident157 Ų157103 Ų10382%0.82259%0.593SS**SBendtrans-79-3.6179.3-63.9175.7000113P146 V153P146-L148 PolarHBondContact O-N 3.46Å; L148-V153 HydrophobicContact CD2-CG2 4.41Å
149L69.6Low75.2Confident141 Ų141105.7 Ų105.774%0.73861%0.613SS**SBendtrans-92.6120.8178.2-157.389.8000109.8G147G147-L149 PolarHBondContact O-N 3.47Å
150G68.4Low74.9Confident14 Ų14106.8 Ų106.814%0.14462%0.622CS.*SBendtrans77.7-164.9177.100000114.6Q152 A158G150-Q152 PolarHBondContact O-N 2.82Å; G150-A158 WeakPolarHBondContact O-CB 3.49Å
151P66.8Low74.4Confident118 Ų118103.7 Ų103.777%0.76660%0.603SS**SBendtrans-79.332.2-168.134.1-37.5000114.2V153 A158P151-V153 VanDerWaalsContact C-N 3.32Å; P151-V153 PolarHBondContact O-N 3.19Å; P151-A158 HydrophobicContact CB-CB 4.35Å
152Q67.4Low73.8Confident127 Ų127107 Ų10759%0.59361%0.607SS**  trans-84.9-3-174.4-67.5-131.9-7.700114.1G147 G150 P154G147-Q152 WeakPolarHBondContact O-CB 3.24Å; G150-Q152 PolarHBondContact O-N 2.82Å; Q152-P154 WeakPolarHBondContact O-CD 3.41Å
153V75.8Confident73.1Confident22 Ų22108.9 Ų108.913%0.13362%0.62CS.*  trans-104.6109.5178-177.40000109.7L148 P151 H155 K156L148-V153 HydrophobicContact CD2-CG2 4.41Å; P151-V153 VanDerWaalsContact C-N 3.32Å; P151-V153 PolarHBondContact O-N 3.19Å; V153-H155 WeakPolarHBondContact CG1-CE1 3.34Å; V153-H155 WeakPolarHBondContact CG1-ND1 3.08Å; V153-H155 PolarHBondContact O-N 3.03Å; V153-H155 VanDerWaalsContact O-N 3.12Å; V153-K156 HydrophobicContact CB-CB 4.44Å; V153-K156 HydrophobicContact CG1-CB 4.01Å; V153-K156 HydrophobicContact CG1-CD 4.27Å; V153-K156 HydrophobicContact CG1-CG 4.1Å; V153-K156 PolarHBondContact O-N 2.89Å
154P72.4Confident72.5Confident129 Ų129110.9 Ų110.984%0.83863%0.632SS**THydrogen-bonded Turntrans-63-23.7-173.2-24.133.1000115.1Q152Q152-P154 WeakPolarHBondContact O-CD 3.41Å
155H79.2Confident71.8Confident146 Ų146110.1 Ų110.168%0.67663%0.632SS**THydrogen-bonded Turntrans-106.57.2-171.463.9-86.5000113.7V153V153-H155 WeakPolarHBondContact CG1-CE1 3.34Å; V153-H155 WeakPolarHBondContact CG1-ND1 3.08Å; V153-H155 PolarHBondContact O-N 3.03Å; V153-H155 VanDerWaalsContact O-N 3.12Å
156K75.9Confident71.3Confident136 Ų136105.7 Ų105.759%0.59163%0.625SS**SBendtrans-134.3134.4178.6-67.7-177.2-178.9179.20110.4V153 A158V153-K156 HydrophobicContact CB-CB 4.44Å; V153-K156 HydrophobicContact CG1-CB 4.01Å; V153-K156 HydrophobicContact CG1-CD 4.27Å; V153-K156 HydrophobicContact CG1-CG 4.1Å; V153-K156 PolarHBondContact O-N 2.89Å; K156-A158 PolarHBondContact O-N 3.3Å
157P74.3Confident70.7Confident138 Ų138114 Ų11490%0.89665%0.648SS**PPolyproline II helixtrans-65.4128.5170.228.2-32.6000109.1
158A73.4Confident70Confident53 Ų53123.2 Ų123.244%0.43867%0.671SS.*PPolyproline II helixtrans-103.8141.1174.400000110G150 P151 K156G150-A158 WeakPolarHBondContact O-CB 3.49Å; P151-A158 HydrophobicContact CB-CB 4.35Å; K156-A158 PolarHBondContact O-N 3.3Å
159S70.6Confident69.6Low112 Ų112120 Ų12078%0.78366%0.657SS**PPolyproline II helixtrans-71155.4169.2-62.30000110.2S161S159-S161 PolarHBondContact O-N 3.01Å; S159-S161 VanDerWaalsContact O-N 3.12Å
160A74.7Confident69Low67 Ų67117.3 Ų117.355%0.55466%0.655SS**PPolyproline II helixtrans-58.2118.1178.100000110.7Y162A160-Y162 HydrophobicContact CB-CD2 4.17Å; A160-Y162 HydrophobicContact CB-CE1 4.27Å; A160-Y162 HydrophobicContact CB-CE2 3.45Å; A160-Y162 VanDerWaalsContact CB-CE2 3.45Å; A160-Y162 PolarHBondContact O-N 3.13Å
161S69.1Low68.8Low59 Ų59117.8 Ų117.841%0.41366%0.66SS.*  trans-91.992.5174173.60000108.4S159 S163S159-S161 PolarHBondContact O-N 3.01Å; S159-S161 VanDerWaalsContact O-N 3.12Å; S161-S163 PolarHBondContact O-N 2.99Å
162Y71.1Confident68.6Low206 Ų206114.5 Ų114.581%0.80864%0.643SS**  trans-76.9104.1173.9-58.4-78.3000109.1A160A160-Y162 HydrophobicContact CB-CD2 4.17Å; A160-Y162 HydrophobicContact CB-CE1 4.27Å; A160-Y162 HydrophobicContact CB-CE2 3.45Å; A160-Y162 VanDerWaalsContact CB-CE2 3.45Å; A160-Y162 PolarHBondContact O-N 3.13Å
163S69.9Low68.4Low104 Ų104112.1 Ų112.173%0.72764%0.639SS**PPolyproline II helixtrans-83.9128.5161.744.20000108.1S161 S165S161-S163 PolarHBondContact O-N 2.99Å; S163-S165 PolarHBondContact O-N 3.3Å
164F69.4Low68Low205 Ų205115.9 Ų115.990%0.89967%0.666SS**PPolyproline II helixtrans-60125.7156.9-69-80.5000106.1G166F164-G166 PolarHBondContact O-N 3.15Å
165S65.5Low68.1Low113 Ų113116.4 Ų116.479%0.7966%0.657SS**PPolyproline II helixtrans-50.4118.6167.649.60000106.1S163 R167S163-S165 PolarHBondContact O-N 3.3Å; S165-R167 PolarHBondContact O-N 3.13Å
166G66Low67.8Low66 Ų66111.6 Ų111.668%0.6864%0.637SS**PPolyproline II helixtrans-48.3141178.700000108.3F164 R168F164-G166 PolarHBondContact O-N 3.15Å; G166-R168 PolarHBondContact O-N 2.88Å
167R62.1Low67.4Low243 Ų243111.9 Ų111.992%0.91764%0.644SS**  trans-34.3112.1178.7-94.5-177.5-86.6-98.90.4108.2S165 T169S165-R167 PolarHBondContact O-N 3.13Å; R167-T169 PolarHBondContact O-N 2.79Å
168R59.3Low67.3Low232 Ų232110 Ų11088%0.87563%0.634SS**  trans-46.5124.1167.5179.8-178.4-179.1-171.70.2103.9G166 A170G166-R168 PolarHBondContact O-N 2.88Å; R168-A170 PolarHBondContact O-N 3.1Å
169T60.1Low67.1Low89 Ų89111.6 Ų111.655%0.54663%0.631SS.*  trans-60.889169.954.50000105.2R167 G171 K179R167-T169 PolarHBondContact O-N 2.79Å; T169-G171 PolarHBondContact O-N 3.24Å; T169-G171 VanDerWaalsContact O-N 3.15Å; T169-K179 VanDerWaalsContact CB-NZ 3.34Å; T169-K179 PolarHBondContact OG1-NZ 3.28Å
170A57.4Low67.5Low84 Ų84109.1 Ų109.169%0.69461%0.612SS**  trans-73.6106.1178.100000103.3R168R168-A170 PolarHBondContact O-N 3.1Å
171G64.2Low67.7Low24 Ų24108.2 Ų108.225%0.24760%0.6CS.*  trans158.4134.7171.900000113.6T169 E175T169-G171 PolarHBondContact O-N 3.24Å; T169-G171 VanDerWaalsContact O-N 3.15Å; G171-E175 WeakPolarHBondContact CA-OE2 3.19Å
172A63.7Low68.2Low49 Ų49106.9 Ų106.941%0.40560%0.596SS.*  trans-57.3163160.100000109.6S174 E175 D176A172-S174 WeakPolarHBondContact CB-OG 3.5Å; A172-S174 PolarHBondContact O-N 3.22Å; A172-E175 PolarHBondContact O-N 3.42Å; A172-D176 PolarHBondContact O-N 3.17Å
173P63.4Low68.4Low78 Ų78103.3 Ų103.351%0.50660%0.598SS.*THydrogen-bonded Turntrans-53.8-17.4173.9-24.333.6000114T180P173-T180 WeakPolarHBondContact O-CG2 3.29Å
174S67.1Low68.6Low101 Ų101102.2 Ų102.271%0.70660%0.602SS**THydrogen-bonded Turntrans-72.5-25.3172.654.10000114.6A172A172-S174 WeakPolarHBondContact CB-OG 3.5Å; A172-S174 PolarHBondContact O-N 3.22Å
175E73.8Confident69.1Low139 Ų13999.1 Ų99.165%0.6559%0.591SS**THydrogen-bonded Turntrans-95.1-28.6-178.3-70174-152.800112G171 A172G171-E175 WeakPolarHBondContact CA-OE2 3.19Å; A172-E175 PolarHBondContact O-N 3.42Å
176D73.4Confident69.8Low45 Ų45101.2 Ų101.224%0.24158%0.582CS.*  trans-114.694.3178.1-173.7-2.6000110.3A172 S178 K179A172-D176 PolarHBondContact O-N 3.17Å; D176-S178 VanDerWaalsContact CG-OG 3.24Å; D176-S178 PolarHBondContact O-N 3.32Å; D176-S178 VanDerWaalsContact O-N 3.09Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.33Å; D176-S178 VanDerWaalsContact OD1-N 3.16Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 3.22Å; D176-K179 HydrophobicContact CB-CD 4.04Å; D176-K179 HydrophobicContact CB-CG 4.17Å; D176-K179 WeakPolarHBondContact O-CB 3.39Å; D176-K179 PolarHBondContact O-N 2.87Å; D176-K179 WeakPolarHBondContact OD2-CE 3.39Å; D176-K179 IonicContact OD2-NZ 3.25Å
177L67.4Low70.3Confident142 Ų142109.4 Ų109.474%0.74359%0.593SS**G310 helixtrans-56.5-24179.2-75.6150.7000112.8K179 T180L177-K179 PolarHBondContact O-N 3.14Å; L177-T180 PolarHBondContact O-N 2.94Å; L177-T180 PolarHBondContact O-OG1 2.71Å
178S71.2Confident71.2Confident100 Ų100103.4 Ų103.470%0.69959%0.588SS**G310 helixtrans-67.2-19.5175.2770000113.3D176D176-S178 VanDerWaalsContact CG-OG 3.24Å; D176-S178 PolarHBondContact O-N 3.32Å; D176-S178 VanDerWaalsContact O-N 3.09Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.33Å; D176-S178 VanDerWaalsContact OD1-N 3.16Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 3.22Å
179K70.7Confident72.4Confident86 Ų8697.2 Ų97.237%0.37458%0.576SS.*G310 helixtrans-93.5-10.5176-61-179.8-178166.70113.3T169 D176 L177 P181T169-K179 VanDerWaalsContact CB-NZ 3.34Å; T169-K179 PolarHBondContact OG1-NZ 3.28Å; D176-K179 HydrophobicContact CB-CD 4.04Å; D176-K179 HydrophobicContact CB-CG 4.17Å; D176-K179 WeakPolarHBondContact O-CB 3.39Å; D176-K179 PolarHBondContact O-N 2.87Å; D176-K179 WeakPolarHBondContact OD2-CE 3.39Å; D176-K179 IonicContact OD2-NZ 3.25Å; L177-K179 PolarHBondContact O-N 3.14Å; K179-P181 WeakPolarHBondContact O-CD 3.34Å
180T77.7Confident73.6Confident60 Ų6097.4 Ų97.437%0.36857%0.574SS.*SBendtrans-71.3122.7172.2600000108.8P173 L177 G182P173-T180 WeakPolarHBondContact O-CG2 3.29Å; L177-T180 PolarHBondContact O-N 2.94Å; L177-T180 PolarHBondContact O-OG1 2.71Å; T180-G182 PolarHBondContact O-N 3.38Å
181P79.8Confident75.1Confident48 Ų4896.2 Ų96.231%0.31256%0.559SS.*PPolyproline II helixtrans-61.5125.7177.424.4-31.9000108.8K179 Q185 Y186K179-P181 WeakPolarHBondContact O-CD 3.34Å; P181-Q185 VanDerWaalsContact CA-OE1 3.27Å; P181-Q185 HydrophobicContact CB-CB 3.63Å; P181-Y186 HydrophobicContact CG-CD1 4.47Å; P181-Y186 HydrophobicContact CG-CE1 3.89Å
182G78.4Confident76.1Confident31 Ų3198.2 Ų98.232%0.3256%0.564SS.*PPolyproline II helixtrans-59.9166.4173.900000111.4T180 G184 Q185T180-G182 PolarHBondContact O-N 3.38Å; G182-G184 PolarHBondContact O-N 3.36Å; G182-Q185 PolarHBondContact O-N 3.08Å
183P75.1Confident77.2Confident131 Ų131101.5 Ų101.585%0.85158%0.579SS**THydrogen-bonded Turntrans-55.8-24.6-175.621.1-32.8000114.2
184G75.7Confident78.4Confident80 Ų80104.7 Ų104.783%0.82558%0.582SS**THydrogen-bonded Turntrans-91.6-2.8175.300000116.2G182G182-G184 PolarHBondContact O-N 3.36Å
185Q78.6Confident79.4Confident140 Ų140107.8 Ų107.865%0.65458%0.578SS**THydrogen-bonded Turntrans-93.8-12.3178.7-83.2-171.5-2.400113.7P181 G182 R187P181-Q185 VanDerWaalsContact CA-OE1 3.27Å; P181-Q185 HydrophobicContact CB-CB 3.63Å; G182-Q185 PolarHBondContact O-N 3.08Å; Q185-R187 PolarHBondContact O-N 3.3Å; Q185-R187 VanDerWaalsContact O-N 3.09Å
186Y79.9Confident80.2Confident157 Ų157110.2 Ų110.262%0.61659%0.589SS**SBendtrans-65111.5170.9-63.2-79.8000108.8P181 S188P181-Y186 HydrophobicContact CG-CD1 4.47Å; P181-Y186 HydrophobicContact CG-CE1 3.89Å; Y186-S188 PolarHBondContact O-N 3.37Å
187R78.4Confident80.8Confident239 Ų239115.4 Ų115.490%0.90261%0.605SS**PPolyproline II helixtrans-66.5133.2170-70.1-173.1176.9107.70.5108.2Q185 T189Q185-R187 PolarHBondContact O-N 3.3Å; Q185-R187 VanDerWaalsContact O-N 3.09Å; R187-T189 PolarHBondContact O-N 2.69Å
188S79.8Confident81.7Confident117 Ų117116.5 Ų116.582%0.81861%0.607SS**PPolyproline II helixtrans-56.7139.1168.2-53.20000109.4Y186Y186-S188 PolarHBondContact O-N 3.37Å
189T84.4Confident82.5Confident101 Ų101116.5 Ų116.562%0.6261%0.605SS**PPolyproline II helixtrans-61.2140173.345.30000109.5R187R187-T189 PolarHBondContact O-N 2.69Å
190D86.3Confident83Confident93 Ų93115 Ų11550%0.49761%0.605SS.*PPolyproline II helixtrans-61.4125.9177.8-172-25.3000109.2D192 V193D190-D192 PolarHBondContact O-N 3.02Å; D190-D192 VanDerWaalsContact O-N 3.13Å; D190-D192 WeakPolarHBondContact OD1-CB 3.27Å; D190-D192 PolarHBondContact OD1-N 2.8Å; D190-V193 HydrophobicContact CB-CG2 4.17Å; D190-V193 VanDerWaalsContact O-CB 3.29Å; D190-V193 WeakPolarHBondContact O-CB 3.35Å; D190-V193 WeakPolarHBondContact O-CG2 3.48Å; D190-V193 PolarHBondContact O-N 2.85Å
191P87.7Confident83.3Confident59 Ų59121.1 Ų121.138%0.38363%0.627SS.*G310 helixtrans-57.2-24.8178.623.5-34.9000113.7V193 Y194 R195P191-V193 PolarHBondContact O-N 3.35Å; P191-V193 VanDerWaalsContact O-N 3.15Å; P191-Y194 VanDerWaalsContact CA-CE1 3.47Å; P191-Y194 HydrophobicContact CB-CE1 4.31Å; P191-Y194 PolarHBondContact O-N 2.97Å; P191-R195 VanDerWaalsContact O-CB 3.27Å; P191-R195 WeakPolarHBondContact O-CB 3.39Å; P191-R195 PolarHBondContact O-N 3.36Å
192D86.7Confident83.4Confident67 Ų67122.8 Ų122.836%0.35864%0.636SS.*G310 helixtrans-65-12.9175.6-75.6-8.6000113.1D190 R197D190-D192 PolarHBondContact O-N 3.02Å; D190-D192 VanDerWaalsContact O-N 3.13Å; D190-D192 WeakPolarHBondContact OD1-CB 3.27Å; D190-D192 PolarHBondContact OD1-N 2.8Å; D192-R197 HydrophobicContact CB-CB 4.3Å; D192-R197 HydrophobicContact CB-CG 4.17Å; D192-R197 WeakPolarHBondContact OD2-CD 3.49Å; D192-R197 WeakPolarHBondContact OD2-CG 3.21Å; D192-R197 IonicContact OD2-CZ 3.78Å; D192-R197 IonicContact OD2-NE 3.76Å; D192-R197 PolarHBondContact OD2-NE 3.39Å
193V86.9Confident83.6Confident118 Ų118131.3 Ų131.372%0.71567%0.67SS**G310 helixtrans-77.6-36177.5176.60000112.1D190 P191D190-V193 HydrophobicContact CB-CG2 4.17Å; D190-V193 VanDerWaalsContact O-CB 3.29Å; D190-V193 WeakPolarHBondContact O-CB 3.35Å; D190-V193 WeakPolarHBondContact O-CG2 3.48Å; D190-V193 PolarHBondContact O-N 2.85Å; P191-V193 PolarHBondContact O-N 3.35Å; P191-V193 VanDerWaalsContact O-N 3.15Å
194Y87.7Confident83.9Confident145 Ų145132.8 Ų132.857%0.56967%0.666SS**THydrogen-bonded Turntrans-119.6-7-174.563-90.4000113.7P191P191-Y194 VanDerWaalsContact CA-CE1 3.47Å; P191-Y194 HydrophobicContact CB-CE1 4.31Å; P191-Y194 PolarHBondContact O-N 2.97Å
195R88.9Confident84Confident166 Ų166139.6 Ų139.663%0.62667%0.667SS**SBendtrans-111.5155.6172.4-59-175.1171.7178.6-0.2109.8P191 R197P191-R195 VanDerWaalsContact O-CB 3.27Å; P191-R195 WeakPolarHBondContact O-CB 3.39Å; P191-R195 PolarHBondContact O-N 3.36Å; R195-R197 PolarHBondContact O-N 3.17Å; R195-R197 VanDerWaalsContact O-N 3.09Å
196Q89.5Confident83.7Confident189 Ų189140.1 Ų140.188%0.88366%0.663SS**  trans-62.7114.5170.6-70.1-64.8-1600109.3
197R87.1Confident83.2Confident154 Ų154137.6 Ų137.658%0.58166%0.664SS**PPolyproline II helixtrans-67.8132.4-179.6-176.2170.9-168.7-147.4-3.3110.4D192 R195D192-R197 HydrophobicContact CB-CB 4.3Å; D192-R197 HydrophobicContact CB-CG 4.17Å; D192-R197 WeakPolarHBondContact OD2-CD 3.49Å; D192-R197 WeakPolarHBondContact OD2-CG 3.21Å; D192-R197 IonicContact OD2-CZ 3.78Å; D192-R197 IonicContact OD2-NE 3.76Å; D192-R197 PolarHBondContact OD2-NE 3.39Å; R195-R197 PolarHBondContact O-N 3.17Å; R195-R197 VanDerWaalsContact O-N 3.09Å
198Q86.3Confident82.6Confident165 Ų165135.7 Ų135.777%0.77166%0.662SS**PPolyproline II helixtrans-66.1148176.4-66.4-174.924.400111.1S200Q198-S200 PolarHBondContact O-N 2.88Å
199P86.2Confident81.8Confident101 Ų101141 Ų14166%0.65666%0.664SS**PPolyproline II helixtrans-60.8124.3177.725.1-33.5000110.5F201P199-F201 HydrophobicContact CB-CE2 3.91Å; P199-F201 HydrophobicContact CB-CZ 3.87Å; P199-F201 HydrophobicContact CG-CE2 4.16Å; P199-F201 HydrophobicContact CG-CZ 4.35Å
200S82.4Confident80.6Confident55 Ų55142.6 Ų142.639%0.38567%0.668SS.*PPolyproline II helixtrans-102.4117.217749.90000110.2Q198 R206Q198-S200 PolarHBondContact O-N 2.88Å; S200-R206 PolarHBondContact O-NH2 2.67Å; S200-R206 PolarHBondContact OG-NH2 3.06Å
201F84.2Confident79.2Confident187 Ų187142.5 Ų142.582%0.8267%0.674SS**PPolyproline II helixtrans-98.5137178.1-57.5-78.9000110.3P199P199-F201 HydrophobicContact CB-CE2 3.91Å; P199-F201 HydrophobicContact CB-CZ 3.87Å; P199-F201 HydrophobicContact CG-CE2 4.16Å; P199-F201 HydrophobicContact CG-CZ 4.35Å
202T80.4Confident77.8Confident83 Ų83149.1 Ų149.151%0.50969%0.693SS.*  trans-125.2127.2177.253.30000108.6Q204 R206T202-Q204 PolarHBondContact O-N 2.83Å; T202-Q204 PolarHBondContact OG1-O 3.3Å; T202-R206 WeakPolarHBondContact OG1-CG 3.23Å; T202-R206 PolarHBondContact OG1-NE 3.22Å
203M83.3Confident76.3Confident211 Ų211150.6 Ų150.6100%1.03971%0.708SS**SBendtrans-69.3-18.1177.5-65.4-166.7-65.900113
204Q80.9Confident75Confident162 Ų162149.7 Ų149.776%0.75771%0.707SS**SBendtrans-100.1148.1177.3-165.6171.71.300110.7T202 R206T202-Q204 PolarHBondContact O-N 2.83Å; T202-Q204 PolarHBondContact OG1-O 3.3Å; Q204-R206 PolarHBondContact O-N 2.78Å
205R78.1Confident73.8Confident222 Ų222146.9 Ų146.984%0.83871%0.714SS**  trans-55.3124.3173.2-175178-178.2-173.51.5109.3T207R205-T207 VanDerWaalsContact C-N 3.32Å; R205-T207 PolarHBondContact O-N 2.91Å
206R72.7Confident72.6Confident151 Ų151142.2 Ų142.257%0.5771%0.711SS**  trans-66.893168.9-65.8-176.9178.5-157.7-3.8108.2S200 T202 Q204 K208S200-R206 PolarHBondContact O-NH2 2.67Å; S200-R206 PolarHBondContact OG-NH2 3.06Å; T202-R206 WeakPolarHBondContact OG1-CG 3.23Å; T202-R206 PolarHBondContact OG1-NE 3.22Å; Q204-R206 PolarHBondContact O-N 2.78Å; R206-K208 PolarHBondContact O-N 2.73Å
207T69.3Low71.8Confident105 Ų105135.7 Ų135.764%0.64469%0.685SS**  trans-71.4115.5163.649.20000105.9R205 R209R205-T207 VanDerWaalsContact C-N 3.32Å; R205-T207 PolarHBondContact O-N 2.91Å; T207-R209 VanDerWaalsContact C-N 3.25Å; T207-R209 PolarHBondContact O-N 3.05Å
208K66Low71.3Confident199 Ų199129.8 Ų129.887%0.86567%0.673SS**  trans-57.7104.9158.6-72.3-175.3-179.8-178.70104R206 I210R206-K208 PolarHBondContact O-N 2.73Å; K208-I210 PolarHBondContact O-N 3.22Å
209R62Low70.5Confident228 Ų228128.7 Ų128.786%0.8668%0.68SS**  trans-55116.2162.9-74.7-167.7-178.4-167.71.4103.5T207 S211T207-R209 VanDerWaalsContact C-N 3.25Å; T207-R209 PolarHBondContact O-N 3.05Å; R209-S211 PolarHBondContact O-N 3.29Å
210I59.3Low69.8Low135 Ų135127.5 Ų127.569%0.69269%0.685SS**  trans-57104.5169.6-64.7165.5000103K208 Y212K208-I210 PolarHBondContact O-N 3.22Å; I210-Y212 WeakPolarHBondContact O-CD2 3.08Å; I210-Y212 PolarHBondContact O-N 2.85Å
211S58Low69.6Low91 Ų91129.5 Ų129.564%0.63670%0.696SS**  trans-61.7111.5169.9-177.80000103.4R209 S213R209-S211 PolarHBondContact O-N 3.29Å; S211-S213 PolarHBondContact O-N 2.96Å; S211-S213 WeakPolarHBondContact OG-CB 3.24Å
212Y57Low69.2Low197 Ų197127.7 Ų127.777%0.77368%0.684SS**THydrogen-bonded Turntrans-66.432.9168.2-72.5-88.9000110.9I210I210-Y212 WeakPolarHBondContact O-CD2 3.08Å; I210-Y212 PolarHBondContact O-N 2.85Å
213S55.4Low68.9Low98 Ų98126.6 Ų126.669%0.68568%0.68SS**THydrogen-bonded Turntrans-71.9-16.1167.5173.20000111.6S211 A215S211-S213 PolarHBondContact O-N 2.96Å; S211-S213 WeakPolarHBondContact OG-CB 3.24Å; S213-A215 VanDerWaalsContact C-N 3.35Å; S213-A215 PolarHBondContact O-N 3.04Å; S213-A215 VanDerWaalsContact O-N 3.13Å
214S59.7Low68.2Low99 Ų99120.7 Ų120.769%0.69266%0.658SS**SBendtrans-72.2103.1156.2-173.30000105.7A216S214-A216 PolarHBondContact O-N 3.3Å
215A62.2Low67.6Low86 Ų86121.4 Ų121.471%0.71166%0.661SS**  trans-55.192.3171.200000107.5S213 P217S213-A215 VanDerWaalsContact C-N 3.35Å; S213-A215 PolarHBondContact O-N 3.04Å; S213-A215 VanDerWaalsContact O-N 3.13Å; A215-P217 WeakPolarHBondContact O-CD 3.24Å
216A64.7Low67.1Low69 Ų69119 Ų11957%0.5766%0.657SS**  trans-59.2113.9169.700000105S214 G218S214-A216 PolarHBondContact O-N 3.3Å; A216-G218 PolarHBondContact O-N 3.26Å
217P73.3Confident66.7Low51 Ų51115.2 Ų115.233%0.33165%0.65SS.*  trans-54.3138-178.7-8.512.2000108.6A215 T221 Y222A215-P217 WeakPolarHBondContact O-CD 3.24Å; P217-T221 HydrophobicContact CB-CG2 3.74Å; P217-Y222 HydrophobicContact CB-CD2 4.1Å; P217-Y222 HydrophobicContact CB-CE1 4.33Å; P217-Y222 HydrophobicContact CB-CE2 3.84Å; P217-Y222 HydrophobicContact CB-CG 4.46Å; P217-Y222 WeakPolarHBondContact CD-OH 3.49Å; P217-Y222 HydrophobicContact CG-CD1 4.16Å; P217-Y222 HydrophobicContact CG-CD2 4.46Å; P217-Y222 HydrophobicContact CG-CE1 3.66Å; P217-Y222 HydrophobicContact CG-CE2 3.99Å; P217-Y222 WeakPolarHBondContact O-CE2 3.3Å
218G76.9Confident66.3Low31 Ų31116.7 Ų116.732%0.3265%0.645SS.*  trans-59.6159.117700000110.9A216 G220 T221A216-G218 PolarHBondContact O-N 3.26Å; G218-G220 PolarHBondContact O-N 3.11Å; G218-T221 PolarHBondContact N-OG1 3.47Å; G218-T221 PolarHBondContact O-N 3.21Å; G218-T221 PolarHBondContact O-OG1 2.8Å
219P68.4Low66.3Low142 Ų142111.1 Ų111.192%0.92264%0.644SS**THydrogen-bonded Turntrans-55.9114.2168.824.8-32.2000108.5
220G70.9Confident66.7Low75 Ų75107.8 Ų107.877%0.77364%0.638SS**THydrogen-bonded Turntrans109.3-14.4-173.800000115.8G218G218-G220 PolarHBondContact O-N 3.11Å
221T78.3Confident67.3Low98 Ų98105.9 Ų105.960%0.60163%0.629SS**THydrogen-bonded Turntrans-84.8-16.3173.5-48.90000112.3P217 G218 S223P217-T221 HydrophobicContact CB-CG2 3.74Å; G218-T221 PolarHBondContact N-OG1 3.47Å; G218-T221 PolarHBondContact O-N 3.21Å; G218-T221 PolarHBondContact O-OG1 2.8Å; T221-S223 PolarHBondContact O-N 3.01Å
222Y75.7Confident67.8Low148 Ų148110.9 Ų110.958%0.5864%0.641SS**  trans-71.7113.8172-65.4-87.9000109.9P217 P224P217-Y222 HydrophobicContact CB-CD2 4.1Å; P217-Y222 HydrophobicContact CB-CE1 4.33Å; P217-Y222 HydrophobicContact CB-CE2 3.84Å; P217-Y222 HydrophobicContact CB-CG 4.46Å; P217-Y222 WeakPolarHBondContact CD-OH 3.49Å; P217-Y222 HydrophobicContact CG-CD1 4.16Å; P217-Y222 HydrophobicContact CG-CD2 4.46Å; P217-Y222 HydrophobicContact CG-CE1 3.66Å; P217-Y222 HydrophobicContact CG-CE2 3.99Å; P217-Y222 WeakPolarHBondContact O-CE2 3.3Å; Y222-P224 WeakPolarHBondContact O-CD 3.33Å
223S73.9Confident68.4Low60 Ų60109.3 Ų109.342%0.4264%0.639SS.*  trans-104.884.3170.4-63.60000109.7T221 E225 K226T221-S223 PolarHBondContact O-N 3.01Å; S223-E225 PolarHBondContact O-N 2.95Å; S223-E225 VanDerWaalsContact O-N 3.14Å; S223-K226 PolarHBondContact O-N 3.4Å; S223-K226 VanDerWaalsContact O-N 3.09Å
224P68.9Low69.2Low88 Ų88109.3 Ų109.357%0.57164%0.639SS**G310 helixtrans-59.7-26.4-178.225.4-34.4000112.4Y222 K226 T227Y222-P224 WeakPolarHBondContact O-CD 3.33Å; P224-K226 PolarHBondContact O-N 2.66Å; P224-T227 WeakPolarHBondContact O-CB 3.21Å; P224-T227 WeakPolarHBondContact O-CG2 3.42Å; P224-T227 PolarHBondContact O-N 3.16Å; P224-T227 PolarHBondContact O-OG1 2.77Å
225E69.8Low70Confident177 Ų177109.5 Ų109.583%0.82764%0.638SS**G310 helixtrans-64.4-23.9178.3-60.1179.3179.100113.7S223S223-E225 PolarHBondContact O-N 2.95Å; S223-E225 VanDerWaalsContact O-N 3.14Å
226K66.2Low70.7Confident172 Ų172110.3 Ų110.375%0.74864%0.638SS**G310 helixtrans-92.50.5-179.1-62.7-178.5-178.3176.60113.4S223 P224 Y228S223-K226 PolarHBondContact O-N 3.4Å; S223-K226 VanDerWaalsContact O-N 3.09Å; P224-K226 PolarHBondContact O-N 2.66Å; K226-Y228 VanDerWaalsContact C-N 3.32Å; K226-Y228 PolarHBondContact O-N 2.78Å
227T64.2Low71.3Confident70 Ų70115.6 Ų115.643%0.42965%0.648SS.*G310 helixtrans-74.4-21.5-17358.30000113.6P224 G229 H230P224-T227 WeakPolarHBondContact O-CB 3.21Å; P224-T227 WeakPolarHBondContact O-CG2 3.42Å; P224-T227 PolarHBondContact O-N 3.16Å; P224-T227 PolarHBondContact O-OG1 2.77Å; T227-G229 VanDerWaalsContact C-N 3.31Å; T227-G229 PolarHBondContact O-N 2.97Å; T227-H230 PolarHBondContact O-CE1 3.01Å; T227-H230 PolarHBondContact O-ND1 3.44Å
228Y62.3Low71.4Confident136 Ų136118.6 Ų118.653%0.53367%0.67SS.*G310 helixtrans-8410.7-172.1-58.7-77000115.4K226 H230 L231K226-Y228 VanDerWaalsContact C-N 3.32Å; K226-Y228 PolarHBondContact O-N 2.78Å; Y228-H230 PolarHBondContact O-N 3.33Å; Y228-L231 HydrophobicContact CD1-CB 4.24Å; Y228-L231 HydrophobicContact CD1-CD1 4.28Å; Y228-L231 PolarHBondContact O-N 3.25Å; Y228-L231 VanDerWaalsContact O-N 3.14Å; Y228-L231 VanDerWaalsContact O-O 3.05Å
229G65.1Low71.1Confident82 Ų82126.6 Ų126.685%0.84570%0.702SS**G310 helixtrans-59-20.5-179.200000115T227T227-G229 VanDerWaalsContact C-N 3.31Å; T227-G229 PolarHBondContact O-N 2.97Å
230H69.6Low71.5Confident159 Ų159122.2 Ų122.274%0.73668%0.683SS**G310 helixtrans-115.62-179.465.9-70.9000113.5T227 Y228T227-H230 PolarHBondContact O-CE1 3.01Å; T227-H230 PolarHBondContact O-ND1 3.44Å; Y228-H230 PolarHBondContact O-N 3.33Å
231L72.4Confident71.5Confident95 Ų95125.7 Ų125.750%0.49768%0.682SS.*SBendtrans-118.1151.2-176.2-74.9150000109.8Y228 K233Y228-L231 HydrophobicContact CD1-CB 4.24Å; Y228-L231 HydrophobicContact CD1-CD1 4.28Å; Y228-L231 PolarHBondContact O-N 3.25Å; Y228-L231 VanDerWaalsContact O-N 3.14Å; Y228-L231 VanDerWaalsContact O-O 3.05Å; L231-K233 PolarHBondContact O-N 3.03Å; L231-K233 VanDerWaalsContact O-N 3.12Å
232H69.4Low70.8Confident195 Ų195132.5 Ų132.590%0.90370%0.697SS**PPolyproline II helixtrans-62.5116.4174.9-72-87000110.2
233K68.9Low70.4Confident164 Ų164132.6 Ų132.671%0.71370%0.702SS**PPolyproline II helixtrans-78131.9177.5-170.8176.9177.8179.50109.7L231L231-K233 PolarHBondContact O-N 3.03Å; L231-K233 VanDerWaalsContact O-N 3.12Å
234S73.3Confident70.5Confident98 Ų98133.4 Ų133.469%0.68571%0.708SS**PPolyproline II helixtrans-59.6142.2171.1-38.70000110S236S234-S236 PolarHBondContact O-N 3.49Å
235P76.8Confident70.5Confident104 Ų104138.3 Ų138.368%0.67572%0.723SS**PPolyproline II helixtrans-55.9128178.721.2-30.9000110.2F237P235-F237 HydrophobicContact CB-CE2 4.22Å; P235-F237 HydrophobicContact CB-CZ 4.14Å; P235-F237 HydrophobicContact CG-CE2 4.38Å; P235-F237 HydrophobicContact CG-CZ 4.45Å
236S76.5Confident70.5Confident102 Ų102138.6 Ų138.671%0.71372%0.722SS**PPolyproline II helixtrans-102.9128.1178.71790000108.5S234S234-S236 PolarHBondContact O-N 3.49Å
237F76.7Confident70.5Confident180 Ų180134.6 Ų134.679%0.78971%0.712SS**  trans-107126.9178.8-58.5-81.8000108.8P235P235-F237 HydrophobicContact CB-CE2 4.22Å; P235-F237 HydrophobicContact CB-CZ 4.14Å; P235-F237 HydrophobicContact CG-CE2 4.38Å; P235-F237 HydrophobicContact CG-CZ 4.45Å
238S75.6Confident70.8Confident114 Ų114137.1 Ų137.180%0.79773%0.727SS**  trans-100.8127.7168.560.30000109.3G240S238-G240 VanDerWaalsContact C-N 3.28Å; S238-G240 PolarHBondContact O-N 2.72Å
239M70.4Confident71.2Confident200 Ų200135.9 Ų135.999%0.98574%0.736SS**  trans-9171.7166.8-68.5-172-67.500107.9
240G75.8Confident71.6Confident50 Ų50139.5 Ų139.552%0.51574%0.735SS.*  trans-109.9150.9173.200000110.9S238 R242S238-G240 VanDerWaalsContact C-N 3.28Å; S238-G240 PolarHBondContact O-N 2.72Å; G240-R242 PolarHBondContact O-N 3.23Å; G240-R242 VanDerWaalsContact O-N 3.14Å
241I71.8Confident71.9Confident147 Ų147137.6 Ų137.675%0.75473%0.734SS**  trans-61.1115.8166.8-62.7170.7000106.7H243I241-H243 PolarHBondContact O-N 2.82Å; I241-H243 VanDerWaalsContact O-N 3.13Å
242R63.7Low71.9Confident242 Ų242137.7 Ų137.791%0.91374%0.739SS**  trans-73104.9173.2-64.8-173-129.2-178.93.3107.4G240G240-R242 PolarHBondContact O-N 3.23Å; G240-R242 VanDerWaalsContact O-N 3.14Å
243H67.8Low71.5Confident149 Ų149136.6 Ų136.669%0.6973%0.734SS**  trans-63.5148.1168.4-64.1-69.9000109.3I241 V247I241-H243 PolarHBondContact O-N 2.82Å; I241-H243 VanDerWaalsContact O-N 3.13Å; H243-V247 HydrophobicContact CB-CG2 4.15Å
244S74.7Confident71.3Confident77 Ų77134.5 Ų134.554%0.53873%0.734SS.*  trans-60.6151.9179.9610000111.1F246 V247S244-F246 PolarHBondContact O-N 2.83Å; S244-V247 WeakPolarHBondContact O-CG2 3.32Å; S244-V247 PolarHBondContact O-N 3.5Å
245E69.5Low70.5Confident191 Ų191136.1 Ų136.189%0.89374%0.74SS**THydrogen-bonded Turntrans-61.4-12.6-178.7-48.8-179-163.800113
246F70.1Confident69.5Low184 Ų184141.8 Ų141.881%0.80776%0.764SS**THydrogen-bonded Turntrans-96.610-177.2-57.6-71.7000113.9S244 T248S244-F246 PolarHBondContact O-N 2.83Å; F246-T248 PolarHBondContact O-N 2.93Å
247V65.4Low69.1Low88 Ų88143.8 Ų143.853%0.53377%0.767SS.*  trans-78.5112.4175.91790000109.6H243 S244H243-V247 HydrophobicContact CB-CG2 4.15Å; S244-V247 WeakPolarHBondContact O-CG2 3.32Å; S244-V247 PolarHBondContact O-N 3.5Å
248T70.7Confident68.7Low122 Ų122141.9 Ų141.975%0.74877%0.766SS**  trans-64.5124.5173.651.40000110.1F246 L250F246-T248 PolarHBondContact O-N 2.93Å; T248-L250 PolarHBondContact O-N 3.12Å
249P72.1Confident68.3Low110 Ų110143.4 Ų143.471%0.71476%0.764SS**  trans-66.4131.3176.526.9-32.7000110V251P249-V251 PolarHBondContact O-N 2.76Å; P249-V251 VanDerWaalsContact O-N 3.09Å
250L73.5Confident68.2Low158 Ų158140.1 Ų140.183%0.82775%0.751SS**  trans-72.499.5172.5-172.298.2000108.5T248 V252T248-L250 PolarHBondContact O-N 3.12Å; L250-V252 HydrophobicContact CD2-CG2 3.32Å; L250-V252 HydrophobicContact CG-CG2 3.85Å; L250-V252 PolarHBondContact O-N 3.11Å
251V74.8Confident67.7Low119 Ų119145.8 Ų145.872%0.72177%0.766SS**  trans-80.7104.5173.4-178.20000108.1P249P249-V251 PolarHBondContact O-N 2.76Å; P249-V251 VanDerWaalsContact O-N 3.09Å
252V71.9Confident67.5Low98 Ų98145.7 Ų145.759%0.59477%0.766SS**  trans-101.4118.4171.3-168.90000107.8L250 V254L250-V252 HydrophobicContact CD2-CG2 3.32Å; L250-V252 HydrophobicContact CG-CG2 3.85Å; L250-V252 PolarHBondContact O-N 3.11Å; V252-V254 PolarHBondContact O-N 3.06Å; V252-V254 VanDerWaalsContact O-N 3.09Å
253H62.5Low67.7Low172 Ų172138.8 Ų138.880%0.79676%0.756SS**  trans-68.6103.5166.2-86.1-82.8000108.3V255H253-V255 PolarHBondContact O-N 3.46Å
254V64.7Low67.7Low120 Ų120138 Ų13873%0.72776%0.761SS**  trans-78.2110.4165.7-176.60000106.1V252V252-V254 PolarHBondContact O-N 3.06Å; V252-V254 VanDerWaalsContact O-N 3.09Å
255V56.4Low67.2Low132 Ų132143.1 Ų143.180%0.878%0.78SS**  trans-78.1117.5169-178.40000106H253H253-V255 PolarHBondContact O-N 3.46Å
256D54.3Low66.9Low223 Ų223138.7 Ų138.7100%1.19377%0.769SS**  trans-58.50172.8-72.1-33.1000112.1

Retrieved 256 of 256 residues in 87.3 ms (Link to these results)