A0A077Z9A1_TRITR Loading...

CBM 14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9A1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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
1L33Very low33.5Very low234 Ų234141.5 Ų141.5100%1.22580%0.798SS**  081.90-92.7151.8000108.7
2C29Very low34Very low136 Ų136139 Ų13992%0.91981%0.808SS**  trans-158.2130.9148.1-111.30000106.1
3R28.8Very low34.4Very low239 Ų239133.2 Ų133.290%0.90280%0.796SS**  trans-83.4146.1-166.5-82175.6168.2-177.6-4.6111.2
4I29.8Very low34.8Very low134 Ų134132.6 Ų132.669%0.68780%0.798SS**  trans-54.3130.8158.2-61.4161.1000109.2L6I4-L6 HydrophobicContact CG2-CD1 4.33Å
5C37.9Very low35.3Very low120 Ų120137.5 Ų137.581%0.81180%0.804SS**  trans-140.9123.3156-84.40000108.6
6L34.6Very low35.4Very low78 Ų78136.7 Ų136.741%0.40881%0.806SS.*  trans-107.9154.8176.2-81154.4000111.2I4 L105I4-L6 HydrophobicContact CG2-CD1 4.33Å; L6-L105 HydrophobicContact CB-CD2 3.2Å; L6-L105 HydrophobicContact CD1-CB 3.84Å; L6-L105 HydrophobicContact CD1-CD2 3.36Å; L6-L105 HydrophobicContact CD1-CG 4.07Å; L6-L105 HydrophobicContact CD2-CD2 4Å; L6-L105 HydrophobicContact CG-CD2 3.65Å
7N35.9Very low35.8Very low93 Ų93136.9 Ų136.950%0.49780%0.798SS.*  trans95.2121.7161.4-81.4-13.4000120.8
8S37.8Very low36.6Very low120 Ų120135.4 Ų135.484%0.83980%0.796SS**  trans73.4112.6147.653.20000119.7
9G35.7Very low37Very low75 Ų75138.7 Ų138.777%0.77379%0.793SS**  trans112.4108.4151.200000115.4
10C28.9Very low37.3Very low118 Ų118134.6 Ų134.680%0.79778%0.782SS**  trans3.3136.2162-56.50000119.6
11F37.2Very low37.8Very low209 Ų209136.9 Ų136.992%0.91778%0.783SS**  -178.1136.3119.4-101.5-76.2000110.2G13F11-G13 PolarHBondContact O-N 3.08Å
12A40Very low38.4Very low112 Ų112127.8 Ų127.893%0.92674%0.739SS**  trans-61.9116.6171.600000109.9
13G39.1Very low39.8Very low63 Ų63127 Ų12765%0.64972%0.718SS**  trans-134.3157.2179.800000111.6F11F11-G13 PolarHBondContact O-N 3.08Å
14P40.3Very low41.5Very low126 Ų126119.8 Ų119.882%0.81870%0.696SS**  trans-77.9151.4-139.831.2-35.5000114.6C16P14-C16 PolarHBondContact O-N 3.2Å; P14-C16 VanDerWaalsContact O-N 3.16Å
15K41.9Very low43.7Very low206 Ų206117.2 Ų117.290%0.89668%0.681SS**  trans-42.9116172.5-75.2176.7175.6175.20111.5E17K15-E17 VanDerWaalsContact C-N 3.31Å; K15-E17 PolarHBondContact O-N 3.47Å
16C36.5Very low45.9Very low124 Ų124119.4 Ų119.484%0.83868%0.68SS**  trans-68.390.7160.1-76.70000109P14 S18P14-C16 PolarHBondContact O-N 3.2Å; P14-C16 VanDerWaalsContact O-N 3.16Å; C16-S18 PolarHBondContact O-N 3.3Å
17E42.7Very low48.5Very low141 Ų141117.2 Ų117.266%0.65967%0.673SS**  trans-76.974.5166.5-163.6-176.9149.800108.6K15 R19K15-E17 VanDerWaalsContact C-N 3.31Å; K15-E17 PolarHBondContact O-N 3.47Å; E17-R19 HydrophobicContact CG-CG 4.47Å; E17-R19 PolarHBondContact O-N 2.83Å; E17-R19 IonicContact OE1-CZ 2.71Å; E17-R19 IonicContact OE1-NE 2.95Å; E17-R19 PolarHBondContact OE1-NE 2.73Å; E17-R19 IonicContact OE1-NH2 3.49Å; E17-R19 PolarHBondContact OE1-NH2 2.94Å
18S50.2Low51.2Low109 Ų109116.9 Ų116.976%0.76267%0.674SS**  trans-7799.9167.853.70000108.4C16 G20C16-S18 PolarHBondContact O-N 3.3Å; S18-G20 PolarHBondContact O-N 2.75Å
19R44.1Very low53.9Low199 Ų199114.7 Ų114.775%0.75166%0.656SS**  trans-69.275.8168.4-66.8-175.5-176.6-177.21.3109.6E17 F21E17-R19 HydrophobicContact CG-CG 4.47Å; E17-R19 PolarHBondContact O-N 2.83Å; E17-R19 IonicContact OE1-CZ 2.71Å; E17-R19 IonicContact OE1-NE 2.95Å; E17-R19 PolarHBondContact OE1-NE 2.73Å; E17-R19 IonicContact OE1-NH2 3.49Å; E17-R19 PolarHBondContact OE1-NH2 2.94Å; R19-F21 PolarHBondContact O-N 2.8Å
20G43.5Very low56.8Low55 Ų55113.2 Ų113.257%0.56764%0.641SS**  trans-78.8104.217100000109.6S18 S22S18-G20 PolarHBondContact O-N 2.75Å; G20-S22 PolarHBondContact O-N 3.28Å
21F47.8Very low59.9Low183 Ų183111.5 Ų111.580%0.80362%0.623SS**  trans-66.199.4164.3-76.9-87.4000108.3R19 Y23R19-F21 PolarHBondContact O-N 2.8Å; F21-Y23 PolarHBondContact O-N 2.78Å
22S45Very low62.6Low44 Ų44107.8 Ų107.831%0.30861%0.612SS.*  trans-75.4109.7169.5-173.60000108.1G20 I24 C137G20-S22 PolarHBondContact O-N 3.28Å; S22-I24 PolarHBondContact O-N 2.87Å; S22-C137 PolarHBondContact OG-SG 2.95Å; S22-C137 VanDerWaalsContact OG-SG 3.4Å
23Y58Low65.2Low119 Ų119102.8 Ų102.847%0.46757%0.57SS.*  trans-80.7100.4172-162.9-88.7000107.6F21 Q25 M196F21-Y23 PolarHBondContact O-N 2.78Å; Y23-Q25 HydrophobicContact CD1-CG 3.66Å; Y23-Q25 HydrophobicContact CE1-CG 4.05Å; Y23-Q25 PolarHBondContact O-N 3.09Å; Y23-Q25 VanDerWaalsContact O-N 3.07Å; Y23-M196 HydrophobicContact CE2-SD 4.24Å
24I64.9Low67.9Low87 Ų87104.4 Ų104.445%0.44656%0.56SS.*  trans-68.7105.9171.6-57.1177.1000106.4S22 Q26 V135S22-I24 PolarHBondContact O-N 2.87Å; I24-Q26 HydrophobicContact CG2-CG 4.08Å; I24-Q26 PolarHBondContact O-N 2.71Å; I24-V135 HydrophobicContact CD1-CG2 4.47Å
25Q75.5Confident70.4Confident80 Ų80101.3 Ų101.337%0.37454%0.536SS..  trans-78.1109.8171.5-68.4-171.4-1200108Y23 I40Y23-Q25 HydrophobicContact CD1-CG 3.66Å; Y23-Q25 HydrophobicContact CE1-CG 4.05Å; Y23-Q25 PolarHBondContact O-N 3.09Å; Y23-Q25 VanDerWaalsContact O-N 3.07Å; Q25-I40 HydrophobicContact CB-CD1 3.9Å; Q25-I40 HydrophobicContact CB-CG1 4.48Å
26Q84.9Confident72.8Confident167 Ų16797.1 Ų97.178%0.7852%0.524SS*.  trans-97139.4167.6-67.7-178.2-20.300108.8I24I24-Q26 HydrophobicContact CG2-CG 4.08Å; I24-Q26 PolarHBondContact O-N 2.71Å
27A88.9Confident75.5Confident32 Ų3296 Ų9626%0.26450%0.502SS..  trans-140.5128173.800000108.7I40 V49 W64A27-I40 HydrophobicContact CB-CD1 3.68Å; A27-V49 HydrophobicContact CB-CG2 4.02Å; A27-W64 HydrophobicContact CB-CD2 3.79Å; A27-W64 HydrophobicContact CB-CE3 4.33Å; A27-W64 HydrophobicContact CB-CG 4.04Å; A27-W64 HydrophobicContact CB-CZ2 4.07Å
28T93.5Very high78Confident86 Ų8693.9 Ų93.953%0.52849%0.491SS..  trans-93.9131.7172-32.70000108.5G30 D31 W64T28-G30 PolarHBondContact O-N 2.69Å; T28-D31 WeakPolarHBondContact CB-OD2 3.36Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 2.85Å; T28-D31 VanDerWaalsContact O-N 3.12Å; T28-D31 PolarHBondContact OG1-OD2 3.22Å; T28-W64 VanDerWaalsContact O-CB 3.29Å; T28-W64 WeakPolarHBondContact O-CB 3.46Å
29V94.3Very high80.2Confident74 Ų7489.4 Ų89.445%0.44846%0.461SS..THydrogen-bonded Turntrans-60.2130172.8179.90000108.9V49 L66V29-V49 HydrophobicContact CG2-CG1 3.62Å; V29-L66 HydrophobicContact CG1-CB 4.28Å; V29-L66 HydrophobicContact CG2-CB 4.11Å
30G94.8Very high82.6Confident44 Ų4481.1 Ų81.145%0.45443%0.431SS..THydrogen-bonded Turntrans96.1-14.8-175.900000115T28 I63 W64T28-G30 PolarHBondContact O-N 2.69Å; G30-I63 WeakPolarHBondContact O-CG2 3.46Å; G30-W64 PolarHBondContact N-O 3.29Å
31D95.3Very high85.1Confident82 Ų8280.7 Ų80.744%0.43942%0.418SS..  trans-73.6154.1177.4-80.2-12.8000112.4T28 I63 W64T28-D31 WeakPolarHBondContact CB-OD2 3.36Å; T28-D31 WeakPolarHBondContact O-CB 3.46Å; T28-D31 PolarHBondContact O-N 2.85Å; T28-D31 VanDerWaalsContact O-N 3.12Å; T28-D31 PolarHBondContact OG1-OD2 3.22Å; D31-I63 WeakPolarHBondContact O-CA 3.38Å; D31-W64 PolarHBondContact O-N 3Å
32I93.5Very high87.3Confident130 Ų13075.8 Ų75.867%0.66740%0.398SS*.EExtended strand (participates in β ladder)trans-70.7135.2174.8-59.7172.9000109.4L61 G62I32-L61 HydrophobicContact CG2-CB 4.42Å; I32-L61 HydrophobicContact CG2-CD1 4.49Å; I32-L61 HydrophobicContact CG2-CD2 4.14Å; I32-G62 WeakPolarHBondContact CA-O 3.3Å
33C95.2Very high89.4Confident8 Ų877 Ų775%0.05442%0.417CS..EExtended strand (participates in β ladder)trans-132.9162.7179.454.30000111.3C51 L61 G62 I63 W64C33-C51 HydrophobicContact CB-CB 3.78Å; C33-C51 WeakPolarHBondContact CB-SG 3.04Å; C33-C51 WeakPolarHBondContact SG-CA 3.06Å; C33-C51 WeakPolarHBondContact SG-CB 3.33Å; C33-C51 CovalentContact SG-SG 2.01Å; C33-C51 PolarHBondContact SG-SG 3.21Å; C33-L61 CarbonylContact O-C 3.55Å; C33-L61 WeakPolarHBondContact O-CA 2.94Å; C33-G62 PolarHBondContact N-O 2.81Å; C33-G62 PolarHBondContact O-N 3.38Å; C33-G62 PolarHBondContact SG-O 2.83Å; C33-I63 PolarHBondContact SG-N 3.45Å; C33-I63 VanDerWaalsContact SG-N 3.4Å; C33-W64 HydrophobicContact CB-CD2 3.81Å; C33-W64 VanDerWaalsContact CB-CE2 3.43Å; C33-W64 HydrophobicContact CB-CG 3.97Å; C33-W64 HydrophobicContact CB-CZ2 3.93Å; C33-W64 PolarHBondContact SG-N 3.26Å; C33-W64 VanDerWaalsContact SG-N 3.37Å
34Q94.4Very high91.2Very high96 Ų9677.5 Ų77.545%0.44942%0.424SS..EExtended strand (participates in β ladder)trans-87.1134.9168.2-65175.1-42.900108.7D36 R37 C51 N60 L61Q34-D36 WeakPolarHBondContact CB-OD1 3.27Å; Q34-D36 PolarHBondContact O-N 3.31Å; Q34-D36 VanDerWaalsContact O-N 3.11Å; Q34-R37 HydrophobicContact CB-CG 4.15Å; Q34-R37 VanDerWaalsContact O-CB 3.24Å; Q34-R37 WeakPolarHBondContact O-CB 3.49Å; Q34-R37 VanDerWaalsContact O-CG 3.25Å; Q34-R37 WeakPolarHBondContact O-CG 3.22Å; Q34-R37 PolarHBondContact O-N 3.13Å; Q34-C51 PolarHBondContact O-SG 2.85Å; Q34-N60 WeakPolarHBondContact CA-O 3.35Å; Q34-L61 HydrophobicContact CG-CD2 4.3Å
35I92.8Very high92.6Very high61 Ų6176.8 Ų76.831%0.31343%0.43SS..THydrogen-bonded Turntrans-59.9-25.9-172.6-68.9168.1000112.5R37 Q53 N60I35-R37 PolarHBondContact O-N 2.97Å; I35-Q53 HydrophobicContact CD1-CB 3.7Å; I35-Q53 HydrophobicContact CD1-CG 3.67Å; I35-Q53 HydrophobicContact CG1-CB 4.3Å; I35-N60 PolarHBondContact N-O 2.67Å
36D93Very high93.7Very high118 Ų11875.7 Ų75.763%0.63143%0.429SS*.THydrogen-bonded Turntrans-76.6-2.717867-19.6000114Q34Q34-D36 WeakPolarHBondContact CB-OD1 3.27Å; Q34-D36 PolarHBondContact O-N 3.31Å; Q34-D36 VanDerWaalsContact O-N 3.11Å
37R93.7Very high94.3Very high100 Ų10068.2 Ų68.238%0.37740%0.395SS..PPolyproline II helixtrans-72.8140178.2-68.2-71.3-174.8150.24111.6Q34 I35 W64Q34-R37 HydrophobicContact CB-CG 4.15Å; Q34-R37 VanDerWaalsContact O-CB 3.24Å; Q34-R37 WeakPolarHBondContact O-CB 3.49Å; Q34-R37 VanDerWaalsContact O-CG 3.25Å; Q34-R37 WeakPolarHBondContact O-CG 3.22Å; Q34-R37 PolarHBondContact O-N 3.13Å; I35-R37 PolarHBondContact O-N 2.97Å; R37-W64 HydrophobicContact CB-CH2 3.65Å; R37-W64 HydrophobicContact CB-CZ2 3.93Å; R37-W64 HydrophobicContact CG-CZ2 4.36Å
38F94.5Very high94.7Very high97 Ų9768.2 Ų68.243%0.42539%0.389SS..PPolyproline II helixtrans-74.1147.6179.6-56.4-56.6000111.6W64 R80F38-W64 WeakPolarHBondContact O-CH2 3.38Å; F38-R80 VanDerWaalsContact CD2-NH1 3.27Å
39A96.3Very high94.9Very high16 Ų1664.3 Ų64.313%0.13237%0.365CS..PPolyproline II helixtrans-62.4141.1172.100000111Y48 V49 Q50 F75A39-Y48 HydrophobicContact CB-CD2 3.81Å; A39-Y48 HydrophobicContact CB-CE2 4.29Å; A39-V49 CarbonylContact C-O 3.55Å; A39-V49 WeakPolarHBondContact CA-O 3.43Å; A39-Q50 HydrophobicContact CB-CB 4.39Å; A39-F75 HydrophobicContact CB-CE2 3.98Å; A39-F75 HydrophobicContact CB-CZ 3.59Å
40I95.5Very high95Very high24 Ų2464.6 Ų64.612%0.12336%0.361CS..EExtended strand (participates in β ladder)trans-117.5135.1-175.6-57.4164.3000107.9Q25 A27 Y48 V49 W64Q25-I40 HydrophobicContact CB-CD1 3.9Å; Q25-I40 HydrophobicContact CB-CG1 4.48Å; A27-I40 HydrophobicContact CB-CD1 3.68Å; I40-Y48 CarbonylContact O-C 3.41Å; I40-Y48 WeakPolarHBondContact O-CA 3.38Å; I40-Y48 WeakPolarHBondContact O-CB 3.48Å; I40-V49 HydrophobicContact CB-CG2 3.72Å; I40-V49 HydrophobicContact CG2-CG2 4.49Å; I40-V49 PolarHBondContact N-O 3.1Å; I40-V49 PolarHBondContact O-N 3.01Å; I40-W64 HydrophobicContact CD1-CH2 3.9Å; I40-W64 HydrophobicContact CD1-CZ2 4.21Å; I40-W64 HydrophobicContact CD1-CZ3 4.41Å; I40-W64 HydrophobicContact CG1-CH2 4.46Å
41P95.4Very high95.1Very high46 Ų4662.9 Ų62.930%0.29934%0.342SS..EExtended strand (participates in β ladder)trans-62.1141.6175.426.7-34.1000110.8F75 A77 L136P41-F75 HydrophobicContact CB-CD1 4.06Å; P41-F75 HydrophobicContact CB-CE1 4.33Å; P41-A77 HydrophobicContact CG-CB 4.23Å; P41-L136 HydrophobicContact CG-CD1 3.69Å
42H94.2Very high95.1Very high81 Ų8161.4 Ų61.438%0.37534%0.336SS..  trans-119.4135.8177.9176.8-89.7000108.3E44 T47 V49 L66H42-E44 CarbonylContact O-C 3.57Å; H42-E44 PolarHBondContact O-N 2.85Å; H42-T47 PolarHBondContact N-O 2.63Å; H42-T47 VanDerWaalsContact N-O 3.13Å; H42-T47 PolarHBondContact ND1-OG1 3.37Å; H42-T47 PolarHBondContact O-OG1 3.33Å; H42-V49 HydrophobicContact CB-CG1 4.27Å; H42-L66 HydrophobicContact CB-CD1 3.9Å
43G89.7Confident95.2Very high69 Ų6959 Ų5971%0.71132%0.322SS*.SBendtrans19.2-58174.200000120.7
44E94.9Very high94.7Very high130 Ų13062.4 Ų62.461%0.60734%0.343SS*.SBendtrans-97.3143.2179.9-58.2174.4-174.600112.6H42 T46 T47H42-E44 CarbonylContact O-C 3.57Å; H42-E44 PolarHBondContact O-N 2.85Å; E44-T46 PolarHBondContact O-N 2.9Å; E44-T47 HydrophobicContact CB-CG2 4.08Å; E44-T47 PolarHBondContact O-N 2.98Å; E44-T47 PolarHBondContact O-OG1 3.32Å
45A95Very high94.2Very high71 Ų7161.9 Ų61.959%0.58735%0.347SS*.THydrogen-bonded Turntrans-60.7-18.8-177.400000114.9I74 F75A45-I74 HydrophobicContact CB-CG2 4.26Å; A45-I74 WeakPolarHBondContact O-CA 3.49Å; A45-F75 PolarHBondContact O-N 3.2Å
46T97.2Very high93.6Very high58 Ų5865.3 Ų65.336%0.35637%0.37SS..THydrogen-bonded Turntrans-96.9-3.7178.354.30000112.7E44 S68 C69E44-T46 PolarHBondContact O-N 2.9Å; T46-S68 CarbonylContact O-C 3.55Å; T46-S68 WeakPolarHBondContact O-CA 3.34Å; T46-C69 WeakPolarHBondContact O-CB 3.45Å; T46-C69 PolarHBondContact O-N 2.97Å
47T97.6Very high92.8Very high9 Ų966.3 Ų66.36%0.05538%0.376CS..EExtended strand (participates in β ladder)trans-116.6145.4-176.570.20000112.1H42 E44 K67H42-T47 PolarHBondContact N-O 2.63Å; H42-T47 VanDerWaalsContact N-O 3.13Å; H42-T47 PolarHBondContact ND1-OG1 3.37Å; H42-T47 PolarHBondContact O-OG1 3.33Å; E44-T47 HydrophobicContact CB-CG2 4.08Å; E44-T47 PolarHBondContact O-N 2.98Å; E44-T47 PolarHBondContact O-OG1 3.32Å; T47-K67 WeakPolarHBondContact CA-O 3.2Å
48Y97.7Very high91.7Very high33 Ų3370 Ų7013%0.12939%0.39CS..EExtended strand (participates in β ladder)trans-149.5157.4177.765.5-83000110.2A39 I40 Q50 K67 F75 C82A39-Y48 HydrophobicContact CB-CD2 3.81Å; A39-Y48 HydrophobicContact CB-CE2 4.29Å; I40-Y48 CarbonylContact O-C 3.41Å; I40-Y48 WeakPolarHBondContact O-CA 3.38Å; I40-Y48 WeakPolarHBondContact O-CB 3.48Å; Y48-Q50 HydrophobicContact CD2-CB 4.21Å; Y48-Q50 HydrophobicContact CE2-CB 3.96Å; Y48-K67 HydrophobicContact CD1-CB 4.11Å; Y48-K67 HydrophobicContact CD2-CB 4.06Å; Y48-K67 HydrophobicContact CE1-CB 3.62Å; Y48-K67 HydrophobicContact CE2-CB 3.6Å; Y48-K67 HydrophobicContact CE2-CG 4.02Å; Y48-K67 HydrophobicContact CG-CB 4.31Å; Y48-K67 PolarHBondContact N-O 2.78Å; Y48-K67 PolarHBondContact O-N 2.91Å; Y48-K67 VanDerWaalsContact O-O 3.1Å; Y48-F75 HydrophobicContact CD1-CB 4.33Å; Y48-F75 AromaticContact CD1-CD2 3.43Å; Y48-F75 HydrophobicContact CD1-CD2 3.43Å; Y48-F75 VanDerWaalsContact CD1-CD2 3.43Å; Y48-F75 AromaticContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CG 4.03Å; Y48-F75 HydrophobicContact CD2-CD2 4.04Å; Y48-F75 AromaticContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CZ 4.25Å; Y48-F75 HydrophobicContact CE1-CD2 4.08Å; Y48-F75 HydrophobicContact CE1-CE2 4.5Å; Y48-F75 HydrophobicContact CE2-CE2 4.21Å; Y48-F75 AromaticContact CG-CD2 3.41Å; Y48-F75 HydrophobicContact CG-CD2 3.41Å; Y48-F75 VanDerWaalsContact CG-CD2 3.41Å; Y48-F75 AromaticContact CG-CE2 3.5Å; Y48-F75 HydrophobicContact CG-CE2 3.5Å; Y48-F75 AromaticContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CZ 4.14Å; Y48-C82 WeakPolarHBondContact CE1-SG 3.33Å
49V97.3Very high91Very high4 Ų471.2 Ų71.22%0.02441%0.405CS..EExtended strand (participates in β ladder)trans-103.8134.5172.9-64.70000110A27 V29 A39 I40 H42 W64 T65 L66A27-V49 HydrophobicContact CB-CG2 4.02Å; V29-V49 HydrophobicContact CG2-CG1 3.62Å; A39-V49 CarbonylContact C-O 3.55Å; A39-V49 WeakPolarHBondContact CA-O 3.43Å; I40-V49 HydrophobicContact CB-CG2 3.72Å; I40-V49 HydrophobicContact CG2-CG2 4.49Å; I40-V49 PolarHBondContact N-O 3.1Å; I40-V49 PolarHBondContact O-N 3.01Å; H42-V49 HydrophobicContact CB-CG1 4.27Å; V49-W64 HydrophobicContact CB-CE3 4.29Å; V49-W64 HydrophobicContact CG2-CE3 4.24Å; V49-T65 WeakPolarHBondContact CA-O 3.26Å; V49-L66 HydrophobicContact CG1-CD1 3.93Å
50Q96.9Very high90.7Very high79 Ų7976.2 Ų76.237%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-131.2141.7-179.9-176.5177.717.200110.3A39 Y48 V52 W64 T65 K67A39-Q50 HydrophobicContact CB-CB 4.39Å; Y48-Q50 HydrophobicContact CD2-CB 4.21Å; Y48-Q50 HydrophobicContact CE2-CB 3.96Å; Q50-V52 PolarHBondContact O-N 3Å; Q50-W64 VanDerWaalsContact C-CE3 3.48Å; Q50-T65 PolarHBondContact N-O 3.21Å; Q50-T65 PolarHBondContact O-N 2.81Å; Q50-K67 HydrophobicContact CB-CG 4.34Å
51C96.9Very high90.6Very high9 Ų978.7 Ų78.76%0.06144%0.442CS..EExtended strand (participates in β ladder)trans-74.9116172.5-1680000110.3C33 Q34 W64C33-C51 HydrophobicContact CB-CB 3.78Å; C33-C51 WeakPolarHBondContact CB-SG 3.04Å; C33-C51 WeakPolarHBondContact SG-CA 3.06Å; C33-C51 WeakPolarHBondContact SG-CB 3.33Å; C33-C51 CovalentContact SG-SG 2.01Å; C33-C51 PolarHBondContact SG-SG 3.21Å; Q34-C51 PolarHBondContact O-SG 2.85Å; C51-W64 HydrophobicContact CB-CE3 4.22Å; C51-W64 HydrophobicContact CB-CH2 4.48Å; C51-W64 HydrophobicContact CB-CZ3 4.14Å
52V95.7Very high90.6Very high50 Ų5076.6 Ų76.630%0.30343%0.429SS..EExtended strand (participates in β ladder)trans-115.7132.7-178.8-175.70000109.5Q50 P54 G62 I63Q50-V52 PolarHBondContact O-N 3Å; V52-P54 WeakPolarHBondContact O-CD 3.43Å; V52-G62 CarbonylContact O-C 3.59Å; V52-G62 WeakPolarHBondContact O-CA 3.35Å; V52-I63 PolarHBondContact N-O 3.22Å; V52-I63 PolarHBondContact O-N 2.04Å
53Q94.4Very high90.6Very high81 Ų8175.8 Ų75.838%0.37943%0.427SS..  trans-72.8118.1176.3-169.5173.825.500109.9I35 T55 R58I35-Q53 HydrophobicContact CD1-CB 3.7Å; I35-Q53 HydrophobicContact CD1-CG 3.67Å; I35-Q53 HydrophobicContact CG1-CB 4.3Å; Q53-T55 WeakPolarHBondContact CG-O 3.46Å; Q53-R58 PolarHBondContact NE2-O 2.74Å
54P85.4Confident91Very high78 Ų7873.5 Ų73.551%0.50640%0.397SS..  trans-73.9-29-173.326.9-34.2000113.5V52 I63V52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-I63 HydrophobicContact CB-CD1 4.02Å; P54-I63 HydrophobicContact CG-CD1 4.02Å; P54-I63 HydrophobicContact CG-CG1 4.2Å
55T84.7Confident91.1Very high86 Ų8669.6 Ų69.653%0.52838%0.382SS..SBendtrans-155.6154.9-176.451.80000110.5Q53 D57Q53-T55 WeakPolarHBondContact CG-O 3.46Å; T55-D57 PolarHBondContact O-N 2.85Å
56V79.3Confident91.2Very high132 Ų13269.7 Ų69.780%0.837%0.372SS*.THydrogen-bonded Turntrans-63.6-14.9-168.7-151.20000114.3
57D76.3Confident91.2Very high140 Ų14070.7 Ų70.775%0.74937%0.372SS*.THydrogen-bonded Turntrans-990.7-160.2-54.8-39.7000116.4T55T55-D57 PolarHBondContact O-N 2.85Å
58R71.5Confident91.2Very high178 Ų17874.4 Ų74.467%0.67240%0.398SS*.  trans-123.9108.2177.3-66.8-170.2-178.9-1681.7111.2Q53 N60Q53-R58 PolarHBondContact NE2-O 2.74Å; R58-N60 VanDerWaalsContact C-N 3.27Å; R58-N60 PolarHBondContact O-N 3.31Å
59V78.5Confident91.3Very high122 Ų12273.5 Ų73.574%0.73940%0.396SS*.THydrogen-bonded Turntrans-67.6-15-158.6-159.60000115
60N90.4Very high91.3Very high121 Ų12180.9 Ų80.965%0.64743%0.43SS*.THydrogen-bonded Turntrans-141.87.3-173.7-67.8-51.6000115.8Q34 I35 R58Q34-N60 WeakPolarHBondContact CA-O 3.35Å; I35-N60 PolarHBondContact N-O 2.67Å; R58-N60 VanDerWaalsContact C-N 3.27Å; R58-N60 PolarHBondContact O-N 3.31Å
61L93Very high91.3Very high75 Ų7586.3 Ų86.339%0.39346%0.456SS..EExtended strand (participates in β ladder)trans-119.1138.8-177.3-63.6176.7000111.2I32 C33 Q34I32-L61 HydrophobicContact CG2-CB 4.42Å; I32-L61 HydrophobicContact CG2-CD1 4.49Å; I32-L61 HydrophobicContact CG2-CD2 4.14Å; C33-L61 CarbonylContact O-C 3.55Å; C33-L61 WeakPolarHBondContact O-CA 2.94Å; Q34-L61 HydrophobicContact CG-CD2 4.3Å
62G95.3Very high91.2Very high2 Ų288.8 Ų88.82%0.02148%0.483CS..EExtended strand (participates in β ladder)trans-131.7-171.117400000111.7I32 C33 V52I32-G62 WeakPolarHBondContact CA-O 3.3Å; C33-G62 PolarHBondContact N-O 2.81Å; C33-G62 PolarHBondContact O-N 3.38Å; C33-G62 PolarHBondContact SG-O 2.83Å; V52-G62 CarbonylContact O-C 3.59Å; V52-G62 WeakPolarHBondContact O-CA 3.35Å
63I95.2Very high91.3Very high64 Ų6486.9 Ų86.933%0.32847%0.471SS..EExtended strand (participates in β ladder)trans-123.8132.9175.4-59.7175.4000108.3G30 D31 C33 V52 P54 T65G30-I63 WeakPolarHBondContact O-CG2 3.46Å; D31-I63 WeakPolarHBondContact O-CA 3.38Å; C33-I63 PolarHBondContact SG-N 3.45Å; C33-I63 VanDerWaalsContact SG-N 3.4Å; V52-I63 PolarHBondContact N-O 3.22Å; V52-I63 PolarHBondContact O-N 2.04Å; P54-I63 HydrophobicContact CB-CD1 4.02Å; P54-I63 HydrophobicContact CG-CD1 4.02Å; P54-I63 HydrophobicContact CG-CG1 4.2Å; I63-T65 PolarHBondContact O-N 2.93Å; I63-T65 VanDerWaalsContact O-N 3.1Å; I63-T65 PolarHBondContact O-OG1 3.09Å; I63-T65 VanDerWaalsContact O-OG1 3.12Å
64W97.3Very high91.4Very high21 Ų2186 Ų868%0.0847%0.469CS..EExtended strand (participates in β ladder)trans-61.9113173.3-76.6122.3000109.4A27 T28 G30 D31 C33 R37 F38 I40 V49 Q50 C51A27-W64 HydrophobicContact CB-CD2 3.79Å; A27-W64 HydrophobicContact CB-CE3 4.33Å; A27-W64 HydrophobicContact CB-CG 4.04Å; A27-W64 HydrophobicContact CB-CZ2 4.07Å; T28-W64 VanDerWaalsContact O-CB 3.29Å; T28-W64 WeakPolarHBondContact O-CB 3.46Å; G30-W64 PolarHBondContact N-O 3.29Å; D31-W64 PolarHBondContact O-N 3Å; C33-W64 HydrophobicContact CB-CD2 3.81Å; C33-W64 VanDerWaalsContact CB-CE2 3.43Å; C33-W64 HydrophobicContact CB-CG 3.97Å; C33-W64 HydrophobicContact CB-CZ2 3.93Å; C33-W64 PolarHBondContact SG-N 3.26Å; C33-W64 VanDerWaalsContact SG-N 3.37Å; R37-W64 HydrophobicContact CB-CH2 3.65Å; R37-W64 HydrophobicContact CB-CZ2 3.93Å; R37-W64 HydrophobicContact CG-CZ2 4.36Å; F38-W64 WeakPolarHBondContact O-CH2 3.38Å; I40-W64 HydrophobicContact CD1-CH2 3.9Å; I40-W64 HydrophobicContact CD1-CZ2 4.21Å; I40-W64 HydrophobicContact CD1-CZ3 4.41Å; I40-W64 HydrophobicContact CG1-CH2 4.46Å; V49-W64 HydrophobicContact CB-CE3 4.29Å; V49-W64 HydrophobicContact CG2-CE3 4.24Å; Q50-W64 VanDerWaalsContact C-CE3 3.48Å; C51-W64 HydrophobicContact CB-CE3 4.22Å; C51-W64 HydrophobicContact CB-CH2 4.48Å; C51-W64 HydrophobicContact CB-CZ3 4.14Å
65T97.1Very high92Very high48 Ų4883.2 Ų83.229%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-116.1132.3-177.8-53.10000108.9V49 Q50 I63V49-T65 WeakPolarHBondContact CA-O 3.26Å; Q50-T65 PolarHBondContact N-O 3.21Å; Q50-T65 PolarHBondContact O-N 2.81Å; I63-T65 PolarHBondContact O-N 2.93Å; I63-T65 VanDerWaalsContact O-N 3.1Å; I63-T65 PolarHBondContact O-OG1 3.09Å; I63-T65 VanDerWaalsContact O-OG1 3.12Å
66L97.4Very high92.6Very high73 Ų7380.8 Ų80.838%0.38243%0.433SS..EExtended strand (participates in β ladder)trans-69.1131.1171.6-171.368000109.5V29 H42 V49V29-L66 HydrophobicContact CG1-CB 4.28Å; V29-L66 HydrophobicContact CG2-CB 4.11Å; H42-L66 HydrophobicContact CB-CD1 3.9Å; V49-L66 HydrophobicContact CG1-CD1 3.93Å
67K98Very high93.2Very high80 Ų8076.2 Ų76.235%0.34841%0.409SS..EExtended strand (participates in β ladder)trans-126146.5177.5-66.3-65.3-174.5-179.90108.9T47 Y48 Q50T47-K67 WeakPolarHBondContact CA-O 3.2Å; Y48-K67 HydrophobicContact CD1-CB 4.11Å; Y48-K67 HydrophobicContact CD2-CB 4.06Å; Y48-K67 HydrophobicContact CE1-CB 3.62Å; Y48-K67 HydrophobicContact CE2-CB 3.6Å; Y48-K67 HydrophobicContact CE2-CG 4.02Å; Y48-K67 HydrophobicContact CG-CB 4.31Å; Y48-K67 PolarHBondContact N-O 2.78Å; Y48-K67 PolarHBondContact O-N 2.91Å; Y48-K67 VanDerWaalsContact O-O 3.1Å; Q50-K67 HydrophobicContact CB-CG 4.34Å
68S97.9Very high94Very high86 Ų8674 Ų7460%0.60141%0.41SS*.EExtended strand (participates in β ladder)trans-110.9140.2172.8-55.80000109.3T46T46-S68 CarbonylContact O-C 3.55Å; T46-S68 WeakPolarHBondContact O-CA 3.34Å
69C98.1Very high95.1Very high15 Ų1572.3 Ų72.310%0.10141%0.407CS..PPolyproline II helixtrans-67.2153.3169.8-72.90000110.9T46 T73 C82T46-C69 WeakPolarHBondContact O-CB 3.45Å; T46-C69 PolarHBondContact O-N 2.97Å; C69-T73 WeakPolarHBondContact CB-OG1 3.5Å; C69-C82 WeakPolarHBondContact CA-SG 3.36Å; C69-C82 HydrophobicContact CB-CB 3.72Å; C69-C82 WeakPolarHBondContact CB-SG 3.19Å; C69-C82 WeakPolarHBondContact SG-CB 3.41Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.37Å
70E97.8Very high95.8Very high158 Ų15872.1 Ų72.174%0.73839%0.393SS*.PPolyproline II helixtrans-62.8151.9173.6-170.3179.1-177.600110.3G72 T73E70-G72 PolarHBondContact O-N 3.22Å; E70-T73 PolarHBondContact N-OG1 2.95Å; E70-T73 WeakPolarHBondContact O-CB 3.43Å; E70-T73 PolarHBondContact O-N 2.86Å; E70-T73 PolarHBondContact O-OG1 3.13Å
71E96.5Very high96.1Very high193 Ų19371.1 Ų71.190%0.90239%0.388SS*.THydrogen-bonded Turntrans-52.7130.6-180-63.7-173.7171.700111.8T73E71-T73 VanDerWaalsContact C-N 3.35Å
72G95.9Very high96.3Very high61 Ų6168.9 Ų68.963%0.62938%0.378SS*.THydrogen-bonded Turntrans81.75.7-176.300000115.5E70 L85E70-G72 PolarHBondContact O-N 3.22Å; G72-L85 PolarHBondContact O-N 2.6Å; G72-L85 VanDerWaalsContact O-N 3.13Å
73T97.7Very high96.4Very high10 Ų1070.4 Ų70.46%0.06139%0.387CS..EExtended strand (participates in β ladder)trans-114.5146.3173.267.10000111.9C69 E70 E71 T83 K84C69-T73 WeakPolarHBondContact CB-OG1 3.5Å; E70-T73 PolarHBondContact N-OG1 2.95Å; E70-T73 WeakPolarHBondContact O-CB 3.43Å; E70-T73 PolarHBondContact O-N 2.86Å; E70-T73 PolarHBondContact O-OG1 3.13Å; E71-T73 VanDerWaalsContact C-N 3.35Å; T73-T83 CarbonylContact C-O 3.58Å; T73-T83 WeakPolarHBondContact CA-O 3.1Å; T73-T83 WeakPolarHBondContact CB-O 3.39Å; T73-K84 HydrophobicContact CG2-CB 4.45Å; T73-K84 HydrophobicContact CG2-CG 3.76Å
74I97Very high96.5Very high63 Ų6375.5 Ų75.532%0.32341%0.407SS..EExtended strand (participates in β ladder)trans-116.6148.8173.859.3162.5000109.9A45 D76 C82 T83 L85A45-I74 HydrophobicContact CB-CG2 4.26Å; A45-I74 WeakPolarHBondContact O-CA 3.49Å; I74-D76 PolarHBondContact O-N 3.17Å; I74-C82 CarbonylContact O-C 3.44Å; I74-C82 WeakPolarHBondContact O-CA 3.41Å; I74-T83 PolarHBondContact N-O 3.46Å; I74-T83 PolarHBondContact O-N 2.98Å; I74-T83 PolarHBondContact O-OG1 3.13Å; I74-L85 HydrophobicContact CB-CD1 4.44Å; I74-L85 HydrophobicContact CD1-CD1 3.6Å; I74-L85 HydrophobicContact CG1-CD1 3.87Å; I74-L85 HydrophobicContact CG2-CD1 3.71Å
75F97.6Very high96.1Very high19 Ų1979.4 Ų79.48%0.08343%0.429CS..EExtended strand (participates in β ladder)trans-75.5113.9177.9-173.9-102.2000110.7A39 P41 A45 Y48 A77A39-F75 HydrophobicContact CB-CE2 3.98Å; A39-F75 HydrophobicContact CB-CZ 3.59Å; P41-F75 HydrophobicContact CB-CD1 4.06Å; P41-F75 HydrophobicContact CB-CE1 4.33Å; A45-F75 PolarHBondContact O-N 3.2Å; Y48-F75 HydrophobicContact CD1-CB 4.33Å; Y48-F75 AromaticContact CD1-CD2 3.43Å; Y48-F75 HydrophobicContact CD1-CD2 3.43Å; Y48-F75 VanDerWaalsContact CD1-CD2 3.43Å; Y48-F75 AromaticContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CE2 3.96Å; Y48-F75 HydrophobicContact CD1-CG 4.03Å; Y48-F75 HydrophobicContact CD2-CD2 4.04Å; Y48-F75 AromaticContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CE2 3.67Å; Y48-F75 HydrophobicContact CD2-CZ 4.25Å; Y48-F75 HydrophobicContact CE1-CD2 4.08Å; Y48-F75 HydrophobicContact CE1-CE2 4.5Å; Y48-F75 HydrophobicContact CE2-CE2 4.21Å; Y48-F75 AromaticContact CG-CD2 3.41Å; Y48-F75 HydrophobicContact CG-CD2 3.41Å; Y48-F75 VanDerWaalsContact CG-CD2 3.41Å; Y48-F75 AromaticContact CG-CE2 3.5Å; Y48-F75 HydrophobicContact CG-CE2 3.5Å; Y48-F75 AromaticContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CG 3.97Å; Y48-F75 HydrophobicContact CG-CZ 4.14Å; F75-A77 HydrophobicContact CE1-CB 4.42Å; F75-A77 PolarHBondContact O-N 3.03Å
76D96.3Very high95.5Very high36 Ų3682 Ų8219%0.19345%0.449CS..EExtended strand (participates in β ladder)trans-88.9103.4175.6-179-20.6000108.8I74 A78 K79 R80 N81 T83I74-D76 PolarHBondContact O-N 3.17Å; D76-A78 PolarHBondContact O-N 3.29Å; D76-A78 WeakPolarHBondContact OD1-CB 3.29Å; D76-A78 PolarHBondContact OD1-N 3.37Å; D76-K79 HydrophobicContact CB-CB 4.15Å; D76-K79 CarbonylContact O-C 3.56Å; D76-K79 PolarHBondContact O-N 3.4Å; D76-K79 VanDerWaalsContact O-N 3.13Å; D76-K79 PolarHBondContact OD1-N 2.94Å; D76-K79 WeakPolarHBondContact OD2-CD 3.49Å; D76-K79 VanDerWaalsContact OD2-CE 3.26Å; D76-K79 WeakPolarHBondContact OD2-CE 2.91Å; D76-K79 WeakPolarHBondContact OD2-CG 3.3Å; D76-K79 IonicContact OD2-NZ 3.09Å; D76-K79 PolarHBondContact OD2-NZ 2.98Å; D76-R80 WeakPolarHBondContact O-CA 2.87Å; D76-R80 PolarHBondContact O-N 3.2Å; D76-N81 PolarHBondContact N-O 3.34Å; D76-T83 HydrophobicContact CB-CG2 3.94Å
77A93.1Very high94.2Very high36 Ų3687 Ų8730%0.29847%0.471SS..THydrogen-bonded Turntrans-60.8-26.6-178.200000113.5P41 F75 L136P41-A77 HydrophobicContact CG-CB 4.23Å; F75-A77 HydrophobicContact CE1-CB 4.42Å; F75-A77 PolarHBondContact O-N 3.03Å; A77-L136 HydrophobicContact CB-CD1 4.45Å
78A91.9Very high92.2Very high94 Ų9486 Ų8678%0.77748%0.484SS*.THydrogen-bonded Turntrans-74.7-39.3177.200000111.2D76D76-A78 PolarHBondContact O-N 3.29Å; D76-A78 WeakPolarHBondContact OD1-CB 3.29Å; D76-A78 PolarHBondContact OD1-N 3.37Å
79K94.4Very high90Very high142 Ų14289 Ų8962%0.61749%0.488SS*.THydrogen-bonded Turntrans-86.8-15.2177-65.7179.7-166.4133.70114D76 N81 T83D76-K79 HydrophobicContact CB-CB 4.15Å; D76-K79 CarbonylContact O-C 3.56Å; D76-K79 PolarHBondContact O-N 3.4Å; D76-K79 VanDerWaalsContact O-N 3.13Å; D76-K79 PolarHBondContact OD1-N 2.94Å; D76-K79 WeakPolarHBondContact OD2-CD 3.49Å; D76-K79 VanDerWaalsContact OD2-CE 3.26Å; D76-K79 WeakPolarHBondContact OD2-CE 2.91Å; D76-K79 WeakPolarHBondContact OD2-CG 3.3Å; D76-K79 IonicContact OD2-NZ 3.09Å; D76-K79 PolarHBondContact OD2-NZ 2.98Å; K79-N81 PolarHBondContact O-N 2.92Å; K79-T83 HydrophobicContact CD-CG2 3.9Å
80R93.9Very high87.9Confident117 Ų11797.3 Ų97.344%0.44253%0.525SS..THydrogen-bonded Turntrans56.737.6-176.6-58.8168.1173.5165.6-5.7112.6F38 D76F38-R80 VanDerWaalsContact CD2-NH1 3.27Å; D76-R80 WeakPolarHBondContact O-CA 2.87Å; D76-R80 PolarHBondContact O-N 3.2Å
81N96.5Very high85.7Confident100 Ų10096.8 Ų96.854%0.53552%0.521SS..EExtended strand (participates in β ladder)trans-151.2156.9-179.2-164.28.2000110.2D76 K79 T83D76-N81 PolarHBondContact N-O 3.34Å; K79-N81 PolarHBondContact O-N 2.92Å; N81-T83 PolarHBondContact O-N 3.12Å
82C97.8Very high83.4Confident28 Ų2890.7 Ų90.719%0.18951%0.51CS..EExtended strand (participates in β ladder)trans-71.2124.1171-59.50000109.6Y48 C69 I74Y48-C82 WeakPolarHBondContact CE1-SG 3.33Å; C69-C82 WeakPolarHBondContact CA-SG 3.36Å; C69-C82 HydrophobicContact CB-CB 3.72Å; C69-C82 WeakPolarHBondContact CB-SG 3.19Å; C69-C82 WeakPolarHBondContact SG-CB 3.41Å; C69-C82 CovalentContact SG-SG 2.04Å; C69-C82 PolarHBondContact SG-SG 3.37Å; I74-C82 CarbonylContact O-C 3.44Å; I74-C82 WeakPolarHBondContact O-CA 3.41Å
83T97.5Very high81.2Confident35 Ų3597.2 Ų97.222%0.21552%0.521CS..EExtended strand (participates in β ladder)trans-115.1140.6176.853.70000109.9T73 I74 D76 K79 N81 L85T73-T83 CarbonylContact C-O 3.58Å; T73-T83 WeakPolarHBondContact CA-O 3.1Å; T73-T83 WeakPolarHBondContact CB-O 3.39Å; I74-T83 PolarHBondContact N-O 3.46Å; I74-T83 PolarHBondContact O-N 2.98Å; I74-T83 PolarHBondContact O-OG1 3.13Å; D76-T83 HydrophobicContact CB-CG2 3.94Å; K79-T83 HydrophobicContact CD-CG2 3.9Å; N81-T83 PolarHBondContact O-N 3.12Å; T83-L85 PolarHBondContact O-N 3.46Å
84K96.5Very high79.2Confident171 Ų171105.1 Ų105.174%0.74356%0.557SS**EExtended strand (participates in β ladder)trans-55.8133.1171-71.9-173.8177-167.80108.8T73 S86T73-K84 HydrophobicContact CG2-CB 4.45Å; T73-K84 HydrophobicContact CG2-CG 3.76Å; K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.97Å
85L89.9Confident77.2Confident102 Ų102107.1 Ų107.153%0.53457%0.574SS.*  trans-59.7104164.6-151.887.2000104.2G72 I74 T83 Q87G72-L85 PolarHBondContact O-N 2.6Å; G72-L85 VanDerWaalsContact O-N 3.13Å; I74-L85 HydrophobicContact CB-CD1 4.44Å; I74-L85 HydrophobicContact CD1-CD1 3.6Å; I74-L85 HydrophobicContact CG1-CD1 3.87Å; I74-L85 HydrophobicContact CG2-CD1 3.71Å; T83-L85 PolarHBondContact O-N 3.46Å; L85-Q87 PolarHBondContact O-N 2.84Å
86S84.3Confident75.2Confident104 Ų104110.6 Ų110.673%0.72760%0.601SS**  trans-59.5101.5162.5500000103.1K84 G88K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.97Å; S86-G88 VanDerWaalsContact C-N 3.26Å; S86-G88 PolarHBondContact O-N 2.82Å
87Q69.5Low73.5Confident177 Ų177118.3 Ų118.383%0.82763%0.633SS**  trans-45.3112.6156.8-72.1-177.3-20.900102.3L85 E89L85-Q87 PolarHBondContact O-N 2.84Å; Q87-E89 PolarHBondContact O-N 2.95Å
88G57.2Low71.7Confident60 Ų60123.3 Ų123.362%0.61966%0.655SS**  trans-45.3121.3177.600000104.1S86 E90S86-G88 VanDerWaalsContact C-N 3.26Å; S86-G88 PolarHBondContact O-N 2.82Å; G88-E90 PolarHBondContact O-N 3.1Å
89E51.5Low69.5Low147 Ų147122.9 Ų122.969%0.68765%0.651SS**  trans-52.591.5141.2-89.8-174.6108.800102.5Q87 K91Q87-E89 PolarHBondContact O-N 2.95Å; E89-K91 HydrophobicContact CB-CB 4.49Å; E89-K91 HydrophobicContact CB-CG 4.18Å; E89-K91 VanDerWaalsContact CD-NZ 3.25Å; E89-K91 PolarHBondContact O-N 3.23Å; E89-K91 VanDerWaalsContact OE1-CE 3.27Å; E89-K91 WeakPolarHBondContact OE1-CE 3.16Å; E89-K91 IonicContact OE1-NZ 2.96Å; E89-K91 PolarHBondContact OE1-NZ 2.73Å; E89-K91 IonicContact OE2-NZ 3.07Å; E89-K91 PolarHBondContact OE2-NZ 3.08Å; E89-K91 VanDerWaalsContact OE2-NZ 3.09Å
90E54Low67.2Low190 Ų190121 Ų12189%0.88866%0.662SS**  trans-54.769.2137.1-79-170.4142.800104.7G88 G92G88-E90 PolarHBondContact O-N 3.1Å; E90-G92 PolarHBondContact O-N 3.29Å
91K51.3Low65.2Low148 Ų148123.7 Ų123.764%0.64368%0.679SS**  trans-61.994.7149.7-97.4178169.7115.10101.6E89 F93E89-K91 HydrophobicContact CB-CB 4.49Å; E89-K91 HydrophobicContact CB-CG 4.18Å; E89-K91 VanDerWaalsContact CD-NZ 3.25Å; E89-K91 PolarHBondContact O-N 3.23Å; E89-K91 VanDerWaalsContact OE1-CE 3.27Å; E89-K91 WeakPolarHBondContact OE1-CE 3.16Å; E89-K91 IonicContact OE1-NZ 2.96Å; E89-K91 PolarHBondContact OE1-NZ 2.73Å; E89-K91 IonicContact OE2-NZ 3.07Å; E89-K91 PolarHBondContact OE2-NZ 3.08Å; E89-K91 VanDerWaalsContact OE2-NZ 3.09Å; K91-F93 PolarHBondContact O-N 2.95Å
92G47.3Very low62.8Low65 Ų65127.8 Ų127.867%0.6769%0.693SS**  trans-40.4114.8170.800000106.1E90 E94E90-G92 PolarHBondContact O-N 3.29Å; G92-E94 PolarHBondContact O-N 3.13Å
93F49.7Very low60.1Low197 Ų197131.5 Ų131.586%0.86472%0.719SS**  trans-67.581.2167.7-163-93.2000104.3K91 P95K91-F93 PolarHBondContact O-N 2.95Å; F93-P95 WeakPolarHBondContact O-CD 2.93Å
94E56.5Low57.6Low176 Ų176135.5 Ų135.582%0.82274%0.739SS**  trans-56.5122.1165.2-99.3-152.7131.600105.2G92 S96G92-E94 PolarHBondContact O-N 3.13Å; E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.24Å
95P54.9Low55.1Low106 Ų106130.6 Ų130.669%0.68872%0.721SS**  trans-65.497.517426.4-30.5000106.8F93 K97F93-P95 WeakPolarHBondContact O-CD 2.93Å; P95-K97 PolarHBondContact O-N 2.98Å
96S55.9Low53Low92 Ų92137.5 Ų137.564%0.64374%0.741SS**  trans-56126.1169.6-172.20000107.6E94 D98E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.24Å; S96-D98 PolarHBondContact O-N 3.1Å
97K60Low50.7Low197 Ų197136.6 Ų136.686%0.85774%0.74SS**SBendtrans-73.120.8-174-73.3179.5176.1173.70114P95 A99P95-K97 PolarHBondContact O-N 2.98Å; K97-A99 WeakPolarHBondContact O-CB 3.33Å
98D54.4Low49.6Very low142 Ų142135.3 Ų135.376%0.75973%0.734SS**  trans-10769.3172.4-58.7-36.7000107.8S96S96-D98 PolarHBondContact O-N 3.1Å
99A45.9Very low48.8Very low85 Ų85141.2 Ų141.270%0.70275%0.746SS**  47.589.28700000112.4K97K97-A99 WeakPolarHBondContact O-CB 3.33Å
100A47.6Very low48.2Very low103 Ų103140.2 Ų140.285%0.85175%0.75SS**SBendtrans57.164.1137.700000117.5
101Q52Low47.4Very low172 Ų172137.4 Ų137.480%0.80475%0.75SS**  trans-151.817.5162-137.3174.314.200118.3
102F45.2Very low46.8Very low187 Ų187136.4 Ų136.482%0.8275%0.751SS**  trans-141.372171.2-90.9-86.4000111.4
103S41.7Very low46.4Very low105 Ų105145 Ų14573%0.73476%0.763SS**  trans-88.9131.7160.1-45.90000107.2
104N43.9Very low46Very low119 Ų119142.9 Ų142.964%0.63676%0.756SS**SBendtrans93.7135.9-169.8-51.3-39.2000112
105L43.9Very low45.6Very low69 Ų69139.8 Ų139.836%0.36175%0.751SS.*  trans104.439177-49.1-179.5000118L6L6-L105 HydrophobicContact CB-CD2 3.2Å; L6-L105 HydrophobicContact CD1-CB 3.84Å; L6-L105 HydrophobicContact CD1-CD2 3.36Å; L6-L105 HydrophobicContact CD1-CG 4.07Å; L6-L105 HydrophobicContact CD2-CD2 4Å; L6-L105 HydrophobicContact CG-CD2 3.65Å
106Y47.2Very low45.2Very low246 Ų246140 Ų14097%0.96575%0.752SS**  trans-152.986.3150.3-87-74.5000110.6
107A36.2Very low44.7Very low85 Ų85140 Ų14070%0.70276%0.757SS**  trans-132.688166.200000107.1
108E45.2Very low44Very low150 Ų150136.3 Ų136.370%0.70175%0.745SS**  trans-162.5118.3163.4-118.5171.8167.800111.9
109E39.8Very low43.9Very low184 Ų184134.3 Ų134.386%0.8674%0.738SS**  trans56.670.8151.8-68.1-174.9136.200120.6
110T40Very low43.9Very low127 Ų127137.9 Ų137.978%0.77973%0.734SS**  trans-86.4107.3148.516.60000109.9L112T110-L112 PolarHBondContact O-N 2.81Å
111C36.4Very low45Very low130 Ų130136.1 Ų136.188%0.87871%0.71SS**  trans-65.295.6167.1-147.80000108.2R113C111-R113 PolarHBondContact O-N 2.9Å
112L40Very low45.9Very low128 Ų128134.5 Ų134.567%0.6772%0.718SS**  trans-55.7106.8178.8-101.1104.4000110.3T110 H114T110-L112 PolarHBondContact O-N 2.81Å; L112-H114 PolarHBondContact O-N 3.08Å; L112-H114 PolarHBondContact O-ND1 3.37Å
113R37.4Very low47.2Very low244 Ų244130.8 Ų130.892%0.92171%0.707SS**  trans-61.599.1160.5-72.2-175.9174.8-159.1-0.6108.4C111C111-R113 PolarHBondContact O-N 2.9Å
114H43.2Very low48.1Very low154 Ų154128.9 Ų128.971%0.71370%0.703SS**PPolyproline II helixtrans-82.9120.7164.7-70.777.6000108.1L112L112-H114 PolarHBondContact O-N 3.08Å; L112-H114 PolarHBondContact O-ND1 3.37Å
115P46.9Very low48.6Very low110 Ų110126.4 Ų126.471%0.71469%0.693SS**PPolyproline II helixtrans-64.7154.3167.727.6-31.7000110A117P115-A117 PolarHBondContact O-N 3.13Å
116P47.7Very low48.3Very low111 Ų111126.6 Ų126.672%0.72170%0.699SS**PPolyproline II helixtrans-57131.5179.523-32.3000110.7M118P116-M118 PolarHBondContact O-N 3.33Å
117A45Very low48Very low91 Ų91118.6 Ų118.675%0.75268%0.676SS**PPolyproline II helixtrans-59.6122.2-179.800000110.9P115P115-A117 PolarHBondContact O-N 3.13Å
118M44.6Very low48Very low120 Ų120118.5 Ų118.559%0.59167%0.669SS**PPolyproline II helixtrans-65.6129.6169.3-71.5176.3175.800109.4P116 Y120P116-M118 PolarHBondContact O-N 3.33Å; M118-Y120 HydrophobicContact CB-CE2 4.44Å
119T51.4Low48.3Very low100 Ų100116 Ų11661%0.61367%0.666SS**EExtended strand (participates in β ladder)trans-94.9120.9170.8-16.80000108.2
120Y47.6Very low48.5Very low161 Ų161113.9 Ų113.963%0.63167%0.666SS**EExtended strand (participates in β ladder)trans-86.8127.2174.1-75.7-92.5000109.1M118 C126M118-Y120 HydrophobicContact CB-CE2 4.44Å; Y120-C126 WeakPolarHBondContact CE1-SG 3.33Å
121N70.1Confident48.3Very low65 Ų65112.5 Ų112.535%0.34867%0.667SS.*PPolyproline II helixtrans-76.7154.7169.4-67-27.7000109.6D123 G124 T125 T127N121-D123 WeakPolarHBondContact CB-OD1 3.39Å; N121-D123 PolarHBondContact O-N 3.09Å; N121-D123 VanDerWaalsContact O-N 3.09Å; N121-G124 PolarHBondContact O-N 2.82Å; N121-G124 VanDerWaalsContact O-N 3.1Å; N121-T125 PolarHBondContact N-O 3.37Å; N121-T125 PolarHBondContact ND2-OG1 2.87Å; N121-T127 PolarHBondContact ND2-OG1 3.23Å
122S71.3Confident48.7Very low138 Ų138113.1 Ų113.197%0.96567%0.667SS**THydrogen-bonded Turntrans-62.3-13.7176.253.20000114
123D71.5Confident48.6Very low110 Ų110111.2 Ų111.259%0.58866%0.664SS**THydrogen-bonded Turntrans-91.36.5177.762.75.4000113.3N121 T125N121-D123 WeakPolarHBondContact CB-OD1 3.39Å; N121-D123 PolarHBondContact O-N 3.09Å; N121-D123 VanDerWaalsContact O-N 3.09Å; D123-T125 VanDerWaalsContact CG-OG1 3.3Å; D123-T125 PolarHBondContact O-N 3.12Å; D123-T125 WeakPolarHBondContact OD1-CB 3.33Å; D123-T125 PolarHBondContact OD1-N 3.33Å; D123-T125 PolarHBondContact OD1-OG1 2Å; D123-T125 PolarHBondContact OD2-OG1 2.89Å
124G61Low48.8Very low64 Ų64105.1 Ų105.166%0.6665%0.648SS**SBendtrans75.88-179.600000114.1N121N121-G124 PolarHBondContact O-N 2.82Å; N121-G124 VanDerWaalsContact O-N 3.1Å
125T54.8Low48.4Very low67 Ų67101.9 Ų101.941%0.41164%0.639SS.*  trans-87135.6174.566.30000111.3N121 D123N121-T125 PolarHBondContact N-O 3.37Å; N121-T125 PolarHBondContact ND2-OG1 2.87Å; D123-T125 VanDerWaalsContact CG-OG1 3.3Å; D123-T125 PolarHBondContact O-N 3.12Å; D123-T125 WeakPolarHBondContact OD1-CB 3.33Å; D123-T125 PolarHBondContact OD1-N 3.33Å; D123-T125 PolarHBondContact OD1-OG1 2Å; D123-T125 PolarHBondContact OD2-OG1 2.89Å
126C36.2Very low48Very low73 Ų73101.1 Ų101.149%0.49363%0.629SS.*EExtended strand (participates in β ladder)trans-87.6113.2170.1-70.30000108.7Y120Y120-C126 WeakPolarHBondContact CE1-SG 3.33Å
127T42.9Very low47.2Very low78 Ų78100.3 Ų100.348%0.47962%0.624SS.*EExtended strand (participates in β ladder)trans-92.7104.1167.8-15.20000108.3N121N121-T127 PolarHBondContact ND2-OG1 3.23Å
128C35.3Very low47Very low83 Ų8399.9 Ų99.956%0.56161%0.614SS**  trans-68.2136.5165.8-69.20000108.5T130C128-T130 PolarHBondContact O-N 2.98Å
129P51.3Low46.4Very low97 Ų97100 Ų10063%0.6363%0.626SS**  trans-60.3110.1166.823.8-29.6000107.8A131P129-A131 PolarHBondContact O-N 3.5Å
130T43.1Very low46.2Very low141 Ų14199.5 Ų99.587%0.86562%0.624SS**  trans-53133.7171.837.40000109.5C128 V132C128-T130 PolarHBondContact O-N 2.98Å; T130-V132 PolarHBondContact O-N 2.79Å
131A36.5Very low45.8Very low97 Ų9797.6 Ų97.680%0.80263%0.631SS**SBendtrans-75.7107.7-152.700000114.9P129P129-A131 PolarHBondContact O-N 3.5Å
132V45.7Very low44.3Very low144 Ų144104.3 Ų104.387%0.87366%0.657SS**  trans-153.425.4156.3-150.80000114.1T130T130-V132 PolarHBondContact O-N 2.79Å
133S38.4Very low43.1Very low87 Ų87103 Ų10361%0.60865%0.645SS**  trans-142.394.3178-167.60000112.4
134I41Very low41.8Very low116 Ų116103.2 Ų103.260%0.59565%0.653SS**  trans-95.1108.5164.6-59.2174.4000106.6L136I134-L136 HydrophobicContact CG2-CD1 3.96Å; I134-L136 HydrophobicContact CG2-CG 4.23Å; I134-L136 PolarHBondContact O-N 2.93Å
135V33.6Very low41.2Very low86 Ų86108.8 Ų108.852%0.52167%0.666SS.*  trans-80.5103.8174.1-178.50000108.4I24I24-V135 HydrophobicContact CD1-CG2 4.47Å
136L38.4Very low41.1Very low95 Ų95110.4 Ų110.450%0.49768%0.679SS.*  trans-102.3118.7164.7-80.7142.1000108P41 A77 I134 P138P41-L136 HydrophobicContact CG-CD1 3.69Å; A77-L136 HydrophobicContact CB-CD1 4.45Å; I134-L136 HydrophobicContact CG2-CD1 3.96Å; I134-L136 HydrophobicContact CG2-CG 4.23Å; I134-L136 PolarHBondContact O-N 2.93Å; L136-P138 WeakPolarHBondContact O-CD 3.06Å
137C31.3Very low41.8Very low93 Ų93116.8 Ų116.863%0.62870%0.699SS**  trans-89.1109.7176.7-630000110.7S22S22-C137 PolarHBondContact OG-SG 2.95Å; S22-C137 VanDerWaalsContact OG-SG 3.4Å
138P41.6Very low42.5Very low82 Ų82117.3 Ų117.353%0.53270%0.704SS.*PPolyproline II helixtrans-83.1127.5163.830.8-31000110.4L136 P140L136-P138 WeakPolarHBondContact O-CD 3.06Å; P138-P140 WeakPolarHBondContact O-CD 3.43Å
139C32.5Very low43.5Very low124 Ų124123.6 Ų123.684%0.83872%0.716SS**PPolyproline II helixtrans-66.1125168.9-65.40000110.1
140P45.8Very low44.1Very low88 Ų88123.8 Ų123.857%0.57172%0.717SS**PPolyproline II helixtrans-78.2143.6178.329.1-32.5000112.1P138P138-P140 WeakPolarHBondContact O-CD 3.43Å
141P40.6Very low44.6Very low121 Ų121117.7 Ų117.779%0.78668%0.68SS**PPolyproline II helixtrans-68.2154.1163.429.2-31.5000110.9
142K37.6Very low45.8Very low206 Ų206117.3 Ų117.390%0.89667%0.669SS**PPolyproline II helixtrans-50.7128.5-174.8-132.1172.8-174.31720112.3
143P47Very low46.3Very low110 Ų110117.3 Ų117.371%0.71466%0.655SS**PPolyproline II helixtrans-76.9149.4-179.429.1-33.2000113
144P43.7Very low46.8Very low115 Ų115116.4 Ų116.475%0.74766%0.659SS**PPolyproline II helixtrans-71.6151169.630-32.3000111.5S146P144-S146 PolarHBondContact O-N 2.87Å
145I49Very low46.7Very low182 Ų182117.5 Ų117.593%0.93367%0.665SS**SBendtrans-75.181-169.9-54.2166.8000110.3
146S50.9Low47Very low100 Ų100123.6 Ų123.670%0.69968%0.681SS**  trans-151.2118.9152.157.50000107.7P144 P148P144-S146 PolarHBondContact O-N 2.87Å; S146-P148 WeakPolarHBondContact O-CD 3.13Å
147K52Low46.8Very low207 Ų207125.3 Ų125.390%0.969%0.69SS**  trans-78.2113.6-171.9-68.7-179.9-178.7176.50109.2R149K147-R149 PolarHBondContact O-N 2.98Å
148P56.4Low47.4Very low90 Ų90127.1 Ų127.158%0.58469%0.691SS**PPolyproline II helixtrans-61.8132.216824.4-30.4000108.7S146 P150S146-P148 WeakPolarHBondContact O-CD 3.13Å; P148-P150 VanDerWaalsContact O-CD 3.3Å; P148-P150 WeakPolarHBondContact O-CD 3.49Å
149R58.3Low47.4Very low214 Ų214130.9 Ų130.981%0.80871%0.706SS**PPolyproline II helixtrans-68.2117.5173-69-174-173-131.93.2107.4K147K147-R149 PolarHBondContact O-N 2.98Å
150P62.1Low47.7Very low102 Ų102132.6 Ų132.666%0.66270%0.702SS**PPolyproline II helixtrans-59.6151.717325.4-31.5000108.6P148P148-P150 VanDerWaalsContact O-CD 3.3Å; P148-P150 WeakPolarHBondContact O-CD 3.49Å
151C55.4Low47.6Very low12 Ų12135.7 Ų135.78%0.08171%0.714CS.*PPolyproline II helixtrans-49.5131.6164.8-54.70000106.8Y153 Y221 C222C151-Y153 HydrophobicContact CB-CD2 3.87Å; C151-Y153 HydrophobicContact CB-CE2 3.68Å; C151-Y153 HydrophobicContact CB-CG 4.43Å; C151-Y153 WeakPolarHBondContact O-CD2 3.34Å; C151-Y153 PolarHBondContact O-N 2.93Å; C151-Y221 VanDerWaalsContact SG-C 3.57Å; C151-C222 WeakPolarHBondContact CA-SG 3.42Å; C151-C222 HydrophobicContact CB-CB 4.15Å; C151-C222 WeakPolarHBondContact CB-SG 3.1Å; C151-C222 VanDerWaalsContact SG-CA 3.6Å; C151-C222 WeakPolarHBondContact SG-CB 3.45Å; C151-C222 CovalentContact SG-SG 2.01Å; C151-C222 PolarHBondContact SG-SG 3.32Å
152P60.7Low47.9Very low89 Ų89138.1 Ų138.158%0.57872%0.72SS**  trans-66.178.5163.229.7-32.1000106G154 L192P152-G154 VanDerWaalsContact C-N 3.31Å; P152-G154 PolarHBondContact O-N 3.07Å; P152-L192 HydrophobicContact CG-CD1 3.66Å
153Y56.8Low47.8Very low145 Ų145134.8 Ų134.857%0.56971%0.711SS**  trans-59109.5157-67.8-78.3000103.2C151 L155 S194C151-Y153 HydrophobicContact CB-CD2 3.87Å; C151-Y153 HydrophobicContact CB-CE2 3.68Å; C151-Y153 HydrophobicContact CB-CG 4.43Å; C151-Y153 WeakPolarHBondContact O-CD2 3.34Å; C151-Y153 PolarHBondContact O-N 2.93Å; Y153-L155 PolarHBondContact O-N 2.81Å; Y153-S194 WeakPolarHBondContact OH-CB 3.44Å; Y153-S194 PolarHBondContact OH-OG 3.24Å
154G47.7Very low47.5Very low68 Ų68138 Ų13870%0.70172%0.716SS**  trans-60.684.4164.300000106.7P152 Y156P152-G154 VanDerWaalsContact C-N 3.31Å; P152-G154 PolarHBondContact O-N 3.07Å; G154-Y156 PolarHBondContact O-N 3.4Å
155L39.3Very low47.1Very low139 Ų139138.5 Ų138.573%0.72871%0.711SS**  trans-69.881.9171.5-16983.5000105.5Y153 L157Y153-L155 PolarHBondContact O-N 2.81Å; L155-L157 HydrophobicContact CD2-CD1 3.83Å; L155-L157 HydrophobicContact CD2-CG 4.13Å; L155-L157 HydrophobicContact CG-CG 4.44Å; L155-L157 PolarHBondContact O-N 3.45Å
156Y40.5Very low46.6Very low214 Ų214139 Ų13984%0.83971%0.707SS**  trans-67.687.6167.3-108.4-93.7000107.1G154 I158G154-Y156 PolarHBondContact O-N 3.4Å; Y156-I158 PolarHBondContact O-N 3.05Å
157L33.9Very low45.9Very low131 Ų131138.9 Ų138.969%0.68670%0.704SS**  trans-6596.2165-95.1151000107.8L155 L159L155-L157 HydrophobicContact CD2-CD1 3.83Å; L155-L157 HydrophobicContact CD2-CG 4.13Å; L155-L157 HydrophobicContact CG-CG 4.44Å; L155-L157 PolarHBondContact O-N 3.45Å; L157-L159 PolarHBondContact O-N 3.03Å; L157-L159 VanDerWaalsContact O-N 3.09Å
158I43.4Very low45Very low130 Ų130138.4 Ų138.467%0.66770%0.702SS**  trans-71.896.7163.2-59.8177.1000106.5Y156 H160Y156-I158 PolarHBondContact O-N 3.05Å; I158-H160 PolarHBondContact O-N 3.39Å; I158-H160 VanDerWaalsContact O-N 3.15Å
159L41.8Very low44.2Very low162 Ų162140 Ų14085%0.84872%0.715SS**  trans-64.8104.2165.8-85.1150.3000108.5L157L157-L159 PolarHBondContact O-N 3.03Å; L157-L159 VanDerWaalsContact O-N 3.09Å
160H39Very low43.1Very low160 Ų160134.5 Ų134.574%0.74172%0.715SS**  trans-73.5126.2165.6-84.4-94.7000110I158I158-H160 PolarHBondContact O-N 3.39Å; I158-H160 VanDerWaalsContact O-N 3.15Å
161N44.6Very low42Very low153 Ų153136.2 Ų136.282%0.81872%0.724SS**  trans-178.295.9146.5-94.5-15.4000110.7
162N45.5Very low41.3Very low171 Ų171141.1 Ų141.191%0.91476%0.759SS**  177.8136.7120.4-99-41.3000113
163L35.4Very low40.2Very low136 Ų136140 Ų14071%0.71276%0.763SS**  trans-87.2130.1-175.5-175.381000109.7
164H40.7Very low39.5Very low179 Ų179139.6 Ų139.683%0.82978%0.776SS**  trans-150.3117.6149.7-108.3-78.9000110.3
165I36.9Very low38.7Very low125 Ų125140.5 Ų140.564%0.64179%0.785SS**  trans-90.8131.7178.5-64.6165.5000108.2
166F37Very low38.8Very low193 Ų193139.9 Ų139.985%0.84679%0.788SS**  trans-151.1147.3143-80.3-70.4000109.9
167P37Very low38.6Very low96 Ų96135.7 Ų135.762%0.62379%0.79SS**  trans-114.5166.1-151.842.9-32.7000115.8
168F33.4Very low38.6Very low197 Ų197134.9 Ų134.986%0.86480%0.795SS**  trans62.2117.3161.3-71.2-76000120.9
169S38.9Very low38.5Very low124 Ų124139.9 Ų139.987%0.86781%0.807SS**  -162.1130.1126.3-74.30000109.8
170A35.1Very low38.5Very low98 Ų98135.8 Ų135.881%0.8180%0.804SS**  trans-65135.7-172.700000113.8
171T39.7Very low38.6Very low138 Ų138134.3 Ų134.385%0.84781%0.812SS**  trans-155.5136.3145.9-30.80000110.7
172S40.9Very low38.7Very low116 Ų116130.4 Ų130.481%0.81181%0.808SS**  trans-39.6144175.348.80000117.4
173G37.9Very low38.6Very low65 Ų65126 Ų12667%0.6780%0.803SS**  trans158.199156.400000115.8
174T41.4Very low38.7Very low136 Ų136123.6 Ų123.683%0.83481%0.811SS**  trans35.1112.4144.152.60000119.6T176T174-T176 PolarHBondContact O-N 3.16Å
175G31Very low38.5Very low87 Ų87119.2 Ų119.290%0.89781%0.814SS**  trans-68.712016700000112.4
176T40.3Very low38.8Very low126 Ų126116.4 Ų116.477%0.77382%0.816SS**  trans-130.2121.7160.147.70000108T174 S178T174-T176 PolarHBondContact O-N 3.16Å; T176-S178 PolarHBondContact O-N 3.26Å
177S37.8Very low38.8Very low126 Ų126117.1 Ų117.188%0.88182%0.822SS**  trans-51117.9171.947.20000111Y179S177-Y179 PolarHBondContact O-N 3.42Å
178S33.5Very low39.4Very low115 Ų115116.3 Ų116.380%0.80483%0.83SS**  trans-75.2105.7-178.159.40000111.7T176T176-S178 PolarHBondContact O-N 3.26Å
179Y41.4Very low40.4Very low234 Ų234111.2 Ų111.292%0.91882%0.819SS**  trans-86.4131.3145.9-120.3-98.5000107.1S177 S181S177-Y179 PolarHBondContact O-N 3.42Å; Y179-S181 PolarHBondContact O-N 2.81Å
180G40.3Very low41.5Very low76 Ų76109.7 Ų109.778%0.78481%0.808SS**  trans-49.5107-16600000114.5G182G180-G182 VanDerWaalsContact C-N 3.29Å; G180-G182 PolarHBondContact O-N 3.43Å
181S41.8Very low43.9Very low130 Ų130111.3 Ų111.391%0.90980%0.799SS**  trans-74.285.3163.7-159.80000108Y179Y179-S181 PolarHBondContact O-N 2.81Å
182G47.3Very low46.4Very low71 Ų71107.6 Ų107.673%0.73277%0.774SS**  trans-80.6116.5168.400000109.4G180G180-G182 VanDerWaalsContact C-N 3.29Å; G180-G182 PolarHBondContact O-N 3.43Å
183G42.1Very low48.9Very low79 Ų79102.5 Ų102.581%0.81474%0.738SS**  trans-48.4146.5176.200000112.8
184G37.9Very low51.6Low84 Ų8499.9 Ų99.987%0.86671%0.71SS**  95.892.654.200000108
185G36.9Very low54Low88 Ų8897.7 Ų97.791%0.90769%0.686SS**  trans102.4100.2165.800000115.5
186G42.3Very low56.8Low66 Ų6697 Ų9768%0.6866%0.66SS**  trans169.281.9169.300000112.9G188G186-G188 PolarHBondContact O-N 2.92Å
187H38.5Very low59.1Low208 Ų20897.6 Ų97.696%0.96366%0.656SS**THydrogen-bonded Turntrans-48.1122.6169.7-97.7-92.1000111.8
188G49.4Very low61.6Low78 Ų7895.5 Ų95.580%0.80464%0.635SS**THydrogen-bonded Turntrans95.21.3145.300000119.7G186 S190G186-G188 PolarHBondContact O-N 2.92Å; G188-S190 PolarHBondContact O-N 3.4Å
189S53.2Low64.4Low90 Ų9092.6 Ų92.663%0.62961%0.613SS**  trans-82.8117.5168.556.10000109.5Q191S189-Q191 VanDerWaalsContact C-N 3.32Å; S189-Q191 PolarHBondContact O-N 2.8Å
190S63.8Low67.1Low92 Ų9283.2 Ų83.264%0.64358%0.579SS**  trans-52.897.5170.2-53.90000108.7G188 L192G188-S190 PolarHBondContact O-N 3.4Å; S190-L192 PolarHBondContact O-N 3.11Å
191Q84.6Confident69.7Low133 Ų13381.6 Ų81.662%0.62155%0.554SS**  trans-64.7108.6-176.6-74.7-176.4-6.300107.2S189S189-Q191 VanDerWaalsContact C-N 3.32Å; S189-Q191 PolarHBondContact O-N 2.8Å
192L91.3Very high72.3Confident60 Ų6077.8 Ų77.831%0.31453%0.53SS..EExtended strand (participates in β ladder)trans-59.3138.9172.7-73.2163.4000108.3P152 S190 Y219 C222 G223P152-L192 HydrophobicContact CG-CD1 3.66Å; S190-L192 PolarHBondContact O-N 3.11Å; L192-Y219 HydrophobicContact CD2-CD2 4.41Å; L192-C222 HydrophobicContact CD2-CB 4.13Å; L192-G223 CarbonylContact C-O 3.54Å; L192-G223 VanDerWaalsContact CA-O 3.3Å; L192-G223 WeakPolarHBondContact CA-O 3.06Å
193C94.6Very high74.7Confident8 Ų874.9 Ų74.95%0.05450%0.498CS..EExtended strand (participates in β ladder)trans-125.6158.2179.556.40000110C213 C222 G223 W225C193-C213 HydrophobicContact CB-CB 3.8Å; C193-C213 WeakPolarHBondContact CB-SG 3.49Å; C193-C213 WeakPolarHBondContact SG-CA 2.87Å; C193-C213 WeakPolarHBondContact SG-CB 3.02Å; C193-C213 CovalentContact SG-SG 2Å; C193-C213 PolarHBondContact SG-SG 3.47Å; C193-C222 CarbonylContact O-C 3.58Å; C193-C222 WeakPolarHBondContact O-CA 3.38Å; C193-G223 PolarHBondContact N-O 3.31Å; C193-G223 PolarHBondContact O-N 3.02Å; C193-G223 PolarHBondContact SG-O 3.34Å; C193-G223 VanDerWaalsContact SG-O 3.33Å; C193-W225 HydrophobicContact CB-CD2 3.58Å; C193-W225 HydrophobicContact CB-CE3 4.16Å; C193-W225 HydrophobicContact CB-CG 3.99Å; C193-W225 HydrophobicContact CB-CH2 4.02Å; C193-W225 HydrophobicContact CB-CZ2 3.44Å; C193-W225 VanDerWaalsContact CB-CZ2 3.44Å; C193-W225 HydrophobicContact CB-CZ3 4.36Å
194S94.7Very high77.2Confident11 Ų1176.4 Ų76.48%0.07749%0.493CS..  trans-95.597.2173.8-175.60000109Y153 M196 M197 D198Y153-S194 WeakPolarHBondContact OH-CB 3.44Å; Y153-S194 PolarHBondContact OH-OG 3.24Å; S194-M196 PolarHBondContact O-N 2.01Å; S194-M197 PolarHBondContact O-N 3.26Å; S194-D198 PolarHBondContact O-N 2.98Å
195W91.8Very high79.9Confident89 Ų8979.6 Ų79.634%0.33749%0.485SS..THydrogen-bonded Turntrans-61-19.8-171.770.2-96.5000113.8C213 P215 K220W195-C213 WeakPolarHBondContact CA-SG 3.19Å; W195-C213 HydrophobicContact CB-CB 4.13Å; W195-C213 WeakPolarHBondContact CB-SG 3.09Å; W195-C213 PolarHBondContact N-SG 2.88Å; W195-P215 HydrophobicContact CB-CG 4.02Å; W195-P215 HydrophobicContact CD2-CB 4.31Å; W195-P215 HydrophobicContact CD2-CG 3.8Å; W195-P215 HydrophobicContact CE3-CG 4.16Å; W195-P215 HydrophobicContact CG-CB 4.04Å; W195-P215 HydrophobicContact CG-CG 3.73Å; W195-K220 PolarHBondContact NE1-O 3.19Å
196M88.4Confident82.7Confident72 Ų7276.8 Ų76.836%0.35546%0.456SS..THydrogen-bonded Turntrans-88.7-27.4-179.8-166.2174.6-56.900113.3Y23 S194 Y221Y23-M196 HydrophobicContact CE2-SD 4.24Å; S194-M196 PolarHBondContact O-N 2.01Å; M196-Y221 HydrophobicContact CE-CD1 4.03Å; M196-Y221 HydrophobicContact CE-CE1 4.29Å
197M89.7Confident85.2Confident139 Ų13978.2 Ų78.269%0.68545%0.452SS*.THydrogen-bonded Turntrans-95-42.5-179.7-63-60.3-63.400111.2S194 P199S194-M197 PolarHBondContact O-N 3.26Å; M197-P199 WeakPolarHBondContact O-CD 3.25Å
198D90.3Very high88Confident83 Ų8375.2 Ų75.244%0.44443%0.432SS..  trans-129.273.2-173.5-57.8-58.1000109.4S194 L200 V201 C213 W225S194-D198 PolarHBondContact O-N 2.98Å; D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 3.45Å; D198-V201 HydrophobicContact CB-CG1 4.19Å; D198-C213 WeakPolarHBondContact O-CB 3.46Å; D198-W225 HydrophobicContact CB-CH2 3.97Å; D198-W225 HydrophobicContact CB-CZ2 4.42Å; D198-W225 WeakPolarHBondContact O-CH2 3.48Å
199P93.1Very high90.2Very high53 Ų5372 Ų7234%0.34440%0.397SS..SBendtrans-66.6-31.9-178.326.1-33.9000112.2M197 Q212 C213M197-P199 WeakPolarHBondContact O-CD 3.25Å; P199-Q212 WeakPolarHBondContact O-CA 3.02Å; P199-C213 PolarHBondContact O-N 3.28Å
200L96.8Very high92.4Very high38 Ų3870 Ų7020%0.19938%0.376CS..EExtended strand (participates in β ladder)trans-139.7133-177.4-60.3173.3000110.1D198 Y210 L211 Q212 F236 Q241D198-L200 VanDerWaalsContact C-N 3.27Å; D198-L200 PolarHBondContact O-N 3.45Å; L200-Y210 HydrophobicContact CD2-CD2 3.62Å; L200-Y210 HydrophobicContact CD2-CE2 3.5Å; L200-Y210 VanDerWaalsContact CD2-CE2 3.5Å; L200-L211 WeakPolarHBondContact CA-O 3.24Å; L200-Q212 HydrophobicContact CD2-CB 3.91Å; L200-Q212 HydrophobicContact CD2-CG 3.87Å; L200-F236 HydrophobicContact CB-CE2 4.45Å; L200-F236 HydrophobicContact CB-CZ 3.9Å; L200-Q241 HydrophobicContact CD1-CB 4.14Å; L200-Q241 WeakPolarHBondContact CD1-O 3.31Å
201V95.7Very high94Very high42 Ų4267 Ų6726%0.25535%0.353SS..EExtended strand (participates in β ladder)trans-135.9156.4173-620000111D198 L211 W225D198-V201 HydrophobicContact CB-CG1 4.19Å; V201-L211 HydrophobicContact CG2-CB 3.68Å; V201-L211 HydrophobicContact CG2-CD1 4.11Å; V201-L211 HydrophobicContact CG2-CG 4.32Å; V201-L211 PolarHBondContact N-O 3.12Å; V201-L211 PolarHBondContact O-N 2.82Å; V201-W225 HydrophobicContact CB-CH2 4.17Å; V201-W225 HydrophobicContact CB-CZ3 4.48Å; V201-W225 HydrophobicContact CG1-CH2 3.61Å; V201-W225 HydrophobicContact CG1-CZ2 4.18Å; V201-W225 HydrophobicContact CG1-CZ3 4.31Å; V201-W225 HydrophobicContact CG2-CD2 4.48Å; V201-W225 HydrophobicContact CG2-CE3 4.11Å; V201-W225 HydrophobicContact CG2-CH2 3.51Å; V201-W225 HydrophobicContact CG2-CZ2 3.89Å; V201-W225 HydrophobicContact CG2-CZ3 3.61Å
202A96.1Very high94.6Very high49 Ų4963.7 Ų63.741%0.40534%0.337SS..EExtended strand (participates in β ladder)trans-60.2140.8172.800000110.8F236 V238A202-F236 HydrophobicContact CB-CD1 4.38Å; A202-V238 HydrophobicContact CB-CG2 3.57Å
203D96.7Very high94.8Very high11 Ų1161.2 Ų61.26%0.05933%0.325CS..  trans-82.3120.9174.4179.13.3000110.4H205 G206 S209 L211 R227D203-H205 PolarHBondContact O-N 2.81Å; D203-H205 VanDerWaalsContact O-N 3.13Å; D203-H205 WeakPolarHBondContact OD1-CB 3.37Å; D203-H205 IonicContact OD1-CD2 2.66Å; D203-H205 IonicContact OD1-CG 3.42Å; D203-H205 PolarHBondContact OD1-N 2.89Å; D203-G206 PolarHBondContact O-N 3.45Å; D203-S209 VanDerWaalsContact CB-O 3.29Å; D203-S209 WeakPolarHBondContact CB-O 3.49Å; D203-S209 VanDerWaalsContact OD2-CB 3.29Å; D203-S209 WeakPolarHBondContact OD2-CB 3.4Å; D203-S209 PolarHBondContact OD2-OG 2.78Å; D203-L211 HydrophobicContact CB-CD2 4.5Å; D203-L211 HydrophobicContact CB-CG 4.31Å; D203-R227 WeakPolarHBondContact OD2-CD 3.27Å; D203-R227 IonicContact OD2-CZ 2.61Å; D203-R227 IonicContact OD2-NE 3.89Å; D203-R227 PolarHBondContact OD2-NE 2.01Å; D203-R227 IonicContact OD2-NH2 3.62Å; D203-R227 PolarHBondContact OD2-NH2 2.92Å
204P95.2Very high94.9Very high110 Ų11063.5 Ų63.571%0.71434%0.339SS*.THydrogen-bonded Turntrans-63.9-18.3178.927.5-35.7000113
205H95Very high94.9Very high152 Ų15266.4 Ų66.470%0.70436%0.357SS*.THydrogen-bonded Turntrans-90.9-0.3-179.5-62.8-71.3000114.3D203D203-H205 PolarHBondContact O-N 2.81Å; D203-H205 VanDerWaalsContact O-N 3.13Å; D203-H205 WeakPolarHBondContact OD1-CB 3.37Å; D203-H205 IonicContact OD1-CD2 2.66Å; D203-H205 IonicContact OD1-CG 3.42Å; D203-H205 PolarHBondContact OD1-N 2.89Å
206G94.7Very high95Very high29 Ų2963.5 Ų63.530%0.29935%0.348SS..  trans166150.217400000114.3D203 R208D203-G206 PolarHBondContact O-N 3.45Å; G206-R208 VanDerWaalsContact C-N 3.3Å; G206-R208 PolarHBondContact O-N 3.15Å
207T95.5Very high95.1Very high96 Ų9666.7 Ų66.759%0.58937%0.374SS*.THydrogen-bonded Turntrans-75.9-15.7-179.955.90000114S209 V235 F236T207-S209 VanDerWaalsContact C-N 3.28Å; T207-V235 CarbonylContact O-C 3.38Å; T207-V235 VanDerWaalsContact O-CA 3.31Å; T207-V235 WeakPolarHBondContact O-CA 3.45Å; T207-F236 PolarHBondContact O-N 2.88Å
208R96.5Very high95.3Very high145 Ų14563.6 Ų63.655%0.54737%0.371SS..THydrogen-bonded Turntrans-90.413.5179-63.2-173.9175.3-171.8-3.1113.3G206 C230 V235G206-R208 VanDerWaalsContact C-N 3.3Å; G206-R208 PolarHBondContact O-N 3.15Å; R208-C230 WeakPolarHBondContact O-CB 3.4Å; R208-C230 PolarHBondContact O-N 3.09Å; R208-V235 HydrophobicContact CG-CG1 4.48Å
209S97.5Very high95.3Very high9 Ų963.4 Ų63.46%0.06336%0.364CS..EExtended strand (participates in β ladder)trans-145.6160.8175.542.30000109.8D203 T207 R227 R228D203-S209 VanDerWaalsContact CB-O 3.29Å; D203-S209 WeakPolarHBondContact CB-O 3.49Å; D203-S209 VanDerWaalsContact OD2-CB 3.29Å; D203-S209 WeakPolarHBondContact OD2-CB 3.4Å; D203-S209 PolarHBondContact OD2-OG 2.78Å; T207-S209 VanDerWaalsContact C-N 3.28Å; S209-R227 PolarHBondContact OG-NE 3.5Å; S209-R227 PolarHBondContact OG-NH2 2.83Å; S209-R228 CarbonylContact C-O 3.43Å; S209-R228 WeakPolarHBondContact CA-O 3.48Å; S209-R228 VanDerWaalsContact CB-O 3.26Å; S209-R228 WeakPolarHBondContact CB-O 3.12Å
210Y97.7Very high95Very high49 Ų4968 Ų6819%0.19238%0.379CS..EExtended strand (participates in β ladder)trans-136.9159.7176.262.4-85.6000109.4L200 Q212 R227 R228 F236L200-Y210 HydrophobicContact CD2-CD2 3.62Å; L200-Y210 HydrophobicContact CD2-CE2 3.5Å; L200-Y210 VanDerWaalsContact CD2-CE2 3.5Å; Y210-Q212 HydrophobicContact CD2-CB 4.43Å; Y210-Q212 HydrophobicContact CE2-CB 4.13Å; Y210-R227 WeakPolarHBondContact O-CA 2.91Å; Y210-R228 HydrophobicContact CD1-CB 4.08Å; Y210-R228 HydrophobicContact CD2-CB 4.05Å; Y210-R228 HydrophobicContact CD2-CG 4.48Å; Y210-R228 HydrophobicContact CE1-CB 3.6Å; Y210-R228 HydrophobicContact CE2-CB 3.58Å; Y210-R228 HydrophobicContact CE2-CG 3.83Å; Y210-R228 HydrophobicContact CG-CB 4.29Å; Y210-R228 PolarHBondContact N-O 3.06Å; Y210-R228 PolarHBondContact O-N 3.29Å; Y210-F236 AromaticContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CE2 4.4Å; Y210-F236 HydrophobicContact CD1-CG 4.47Å; Y210-F236 HydrophobicContact CD2-CE2 4.3Å; Y210-F236 AromaticContact CG-CD2 3.74Å; Y210-F236 HydrophobicContact CG-CD2 3.74Å; Y210-F236 AromaticContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CG 4.24Å
211L97.3Very high94.6Very high28 Ų2870.6 Ų70.615%0.14739%0.387CS..EExtended strand (participates in β ladder)trans-99.7126.6172.2-54.8176.5000108.4L200 V201 D203 W225 R227L200-L211 WeakPolarHBondContact CA-O 3.24Å; V201-L211 HydrophobicContact CG2-CB 3.68Å; V201-L211 HydrophobicContact CG2-CD1 4.11Å; V201-L211 HydrophobicContact CG2-CG 4.32Å; V201-L211 PolarHBondContact N-O 3.12Å; V201-L211 PolarHBondContact O-N 2.82Å; D203-L211 HydrophobicContact CB-CD2 4.5Å; D203-L211 HydrophobicContact CB-CG 4.31Å; L211-W225 HydrophobicContact CB-CD2 4.13Å; L211-W225 HydrophobicContact CB-CE3 3.6Å; L211-W225 HydrophobicContact CB-CZ3 4.19Å; L211-R227 HydrophobicContact CD2-CB 3.91Å; L211-R227 HydrophobicContact CD2-CG 4.17Å
212Q97Very high94.5Very high65 Ų6568.7 Ų68.730%0.30438%0.375SS..EExtended strand (participates in β ladder)trans-105.6127.9174.4-177.9179.129.100109.2P199 L200 Y210 V214 K226 R228P199-Q212 WeakPolarHBondContact O-CA 3.02Å; L200-Q212 HydrophobicContact CD2-CB 3.91Å; L200-Q212 HydrophobicContact CD2-CG 3.87Å; Y210-Q212 HydrophobicContact CD2-CB 4.43Å; Y210-Q212 HydrophobicContact CE2-CB 4.13Å; Q212-V214 PolarHBondContact O-N 3.4Å; Q212-K226 PolarHBondContact N-O 2.94Å; Q212-K226 PolarHBondContact O-N 3.19Å; Q212-R228 HydrophobicContact CB-CG 4.02Å; Q212-R228 VanDerWaalsContact OE1-NE 3.14Å
213C97Very high94.5Very high8 Ų866.3 Ų66.35%0.05436%0.356CS..EExtended strand (participates in β ladder)trans-79.5108.9175-171.80000109.7C193 W195 D198 P199 W225C193-C213 HydrophobicContact CB-CB 3.8Å; C193-C213 WeakPolarHBondContact CB-SG 3.49Å; C193-C213 WeakPolarHBondContact SG-CA 2.87Å; C193-C213 WeakPolarHBondContact SG-CB 3.02Å; C193-C213 CovalentContact SG-SG 2Å; C193-C213 PolarHBondContact SG-SG 3.47Å; W195-C213 WeakPolarHBondContact CA-SG 3.19Å; W195-C213 HydrophobicContact CB-CB 4.13Å; W195-C213 WeakPolarHBondContact CB-SG 3.09Å; W195-C213 PolarHBondContact N-SG 2.88Å; D198-C213 WeakPolarHBondContact O-CB 3.46Å; P199-C213 PolarHBondContact O-N 3.28Å; C213-W225 HydrophobicContact CB-CE3 3.91Å; C213-W225 HydrophobicContact CB-CH2 4.05Å; C213-W225 HydrophobicContact CB-CZ3 3.59Å
214V95.8Very high94.4Very high56 Ų5668.9 Ų68.934%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-93.4119.8179.3-179.10000108.6Q212 D216 G223 H224 K226Q212-V214 PolarHBondContact O-N 3.4Å; V214-D216 PolarHBondContact O-N 3.25Å; V214-G223 CarbonylContact O-C 3.4Å; V214-G223 WeakPolarHBondContact O-CA 3.33Å; V214-H224 PolarHBondContact N-O 3.07Å; V214-H224 PolarHBondContact O-N 3.03Å; V214-K226 HydrophobicContact CG2-CB 3.79Å; V214-K226 HydrophobicContact CG2-CD 4.13Å
215P95Very high94.5Very high71 Ų7166.7 Ų66.746%0.46134%0.344SS..EExtended strand (participates in β ladder)trans-53.3135.4-179.2-24.231.4000112.4W195W195-P215 HydrophobicContact CB-CG 4.02Å; W195-P215 HydrophobicContact CD2-CB 4.31Å; W195-P215 HydrophobicContact CD2-CG 3.8Å; W195-P215 HydrophobicContact CE3-CG 4.16Å; W195-P215 HydrophobicContact CG-CB 4.04Å; W195-P215 HydrophobicContact CG-CG 3.73Å
216D93.1Very high94.5Very high29 Ų2964.5 Ų64.516%0.15533%0.333CS..PPolyproline II helixtrans-94123.5174.2-173.9-24.3000108.9V214 A218 Y219 C222 H224V214-D216 PolarHBondContact O-N 3.25Å; D216-A218 PolarHBondContact O-N 3.35Å; D216-A218 VanDerWaalsContact O-N 3.14Å; D216-A218 VanDerWaalsContact OD1-CB 3.31Å; D216-A218 WeakPolarHBondContact OD1-CB 3.36Å; D216-A218 PolarHBondContact OD1-N 3.38Å; D216-Y219 HydrophobicContact CB-CD2 4.11Å; D216-Y219 CarbonylContact O-C 3.56Å; D216-Y219 PolarHBondContact O-N 3Å; D216-Y219 WeakPolarHBondContact OD2-CD2 3.29Å; D216-C222 PolarHBondContact N-O 2.96Å; D216-H224 IonicContact OD2-CD2 3Å; D216-H224 PolarHBondContact OD2-CD2 3.41Å; D216-H224 IonicContact OD2-CE1 3.73Å; D216-H224 IonicContact OD2-NE2 3.06Å; D216-H224 PolarHBondContact OD2-NE2 3.46Å
217P92.5Very high94.6Very high138 Ų13869.5 Ų69.590%0.89634%0.343SS*.THydrogen-bonded Turntrans-58.7-24.9177.225.5-35.7000113.7Y219P217-Y219 VanDerWaalsContact C-N 3.3Å
218A92.3Very high94.7Very high74 Ų7469 Ų6961%0.61233%0.33SS*.THydrogen-bonded Turntrans-73.5-20.617700000113.2D216D216-A218 PolarHBondContact O-N 3.35Å; D216-A218 VanDerWaalsContact O-N 3.14Å; D216-A218 VanDerWaalsContact OD1-CB 3.31Å; D216-A218 WeakPolarHBondContact OD1-CB 3.36Å; D216-A218 PolarHBondContact OD1-N 3.38Å
219Y90.6Very high94.7Very high80 Ų8067 Ų6731%0.31434%0.336SS..  trans-133.3109.8-174.4-56.2-81.4000112.2L192 D216 P217 Y221 C222L192-Y219 HydrophobicContact CD2-CD2 4.41Å; D216-Y219 HydrophobicContact CB-CD2 4.11Å; D216-Y219 CarbonylContact O-C 3.56Å; D216-Y219 PolarHBondContact O-N 3Å; D216-Y219 WeakPolarHBondContact OD2-CD2 3.29Å; P217-Y219 VanDerWaalsContact C-N 3.3Å; Y219-Y221 PolarHBondContact O-N 2.8Å; Y219-C222 WeakPolarHBondContact CB-SG 3.33Å; Y219-C222 HydrophobicContact CG-CB 4.31Å; Y219-C222 PolarHBondContact O-N 3.19Å; Y219-C222 VanDerWaalsContact O-N 3.13Å
220K87.4Confident94.7Very high148 Ų14867.4 Ų67.464%0.64334%0.339SS*.THydrogen-bonded Turntrans-51.8-31.2-173.8-170.1174.5179.9-175.70115.5W195W195-K220 PolarHBondContact NE1-O 3.19Å
221Y88.9Confident94.5Very high94 Ų9467 Ų6737%0.36935%0.346SS..THydrogen-bonded Turntrans-1213-175.5-54.7-68.6000113.5C151 M196 Y219C151-Y221 VanDerWaalsContact SG-C 3.57Å; M196-Y221 HydrophobicContact CE-CD1 4.03Å; M196-Y221 HydrophobicContact CE-CE1 4.29Å; Y219-Y221 PolarHBondContact O-N 2.8Å
222C93.1Very high94.3Very high1 Ų171 Ų711%0.00737%0.373CS..  trans-114.8156.7-177.9-25.20000109.9C151 L192 C193 D216 Y219C151-C222 WeakPolarHBondContact CA-SG 3.42Å; C151-C222 HydrophobicContact CB-CB 4.15Å; C151-C222 WeakPolarHBondContact CB-SG 3.1Å; C151-C222 VanDerWaalsContact SG-CA 3.6Å; C151-C222 WeakPolarHBondContact SG-CB 3.45Å; C151-C222 CovalentContact SG-SG 2.01Å; C151-C222 PolarHBondContact SG-SG 3.32Å; L192-C222 HydrophobicContact CD2-CB 4.13Å; C193-C222 CarbonylContact O-C 3.58Å; C193-C222 WeakPolarHBondContact O-CA 3.38Å; D216-C222 PolarHBondContact N-O 2.96Å; Y219-C222 WeakPolarHBondContact CB-SG 3.33Å; Y219-C222 HydrophobicContact CG-CB 4.31Å; Y219-C222 PolarHBondContact O-N 3.19Å; Y219-C222 VanDerWaalsContact O-N 3.13Å
223G95.2Very high94Very high0 Ų073.2 Ų73.20%039%0.387CS..EExtended strand (participates in β ladder)trans-140-174.317200000110.5L192 C193 V214L192-G223 CarbonylContact C-O 3.54Å; L192-G223 VanDerWaalsContact CA-O 3.3Å; L192-G223 WeakPolarHBondContact CA-O 3.06Å; C193-G223 PolarHBondContact N-O 3.31Å; C193-G223 PolarHBondContact O-N 3.02Å; C193-G223 PolarHBondContact SG-O 3.34Å; C193-G223 VanDerWaalsContact SG-O 3.33Å; V214-G223 CarbonylContact O-C 3.4Å; V214-G223 WeakPolarHBondContact O-CA 3.33Å
224H95.6Very high93.9Very high64 Ų6473 Ų7330%0.29639%0.386SS..EExtended strand (participates in β ladder)trans-113.4137.5170.8-65.5-78.1000109.8V214 D216 K226V214-H224 PolarHBondContact N-O 3.07Å; V214-H224 PolarHBondContact O-N 3.03Å; D216-H224 IonicContact OD2-CD2 3Å; D216-H224 PolarHBondContact OD2-CD2 3.41Å; D216-H224 IonicContact OD2-CE1 3.73Å; D216-H224 IonicContact OD2-NE2 3.06Å; D216-H224 PolarHBondContact OD2-NE2 3.46Å; H224-K226 PolarHBondContact O-N 3.38Å
225W95.9Very high93.8Very high64 Ų6471.4 Ų71.424%0.24238%0.376CS..EExtended strand (participates in β ladder)trans-64.5125.1171.2-72.8122.7000110.5C193 D198 V201 L211 C213C193-W225 HydrophobicContact CB-CD2 3.58Å; C193-W225 HydrophobicContact CB-CE3 4.16Å; C193-W225 HydrophobicContact CB-CG 3.99Å; C193-W225 HydrophobicContact CB-CH2 4.02Å; C193-W225 HydrophobicContact CB-CZ2 3.44Å; C193-W225 VanDerWaalsContact CB-CZ2 3.44Å; C193-W225 HydrophobicContact CB-CZ3 4.36Å; D198-W225 HydrophobicContact CB-CH2 3.97Å; D198-W225 HydrophobicContact CB-CZ2 4.42Å; D198-W225 WeakPolarHBondContact O-CH2 3.48Å; V201-W225 HydrophobicContact CB-CH2 4.17Å; V201-W225 HydrophobicContact CB-CZ3 4.48Å; V201-W225 HydrophobicContact CG1-CH2 3.61Å; V201-W225 HydrophobicContact CG1-CZ2 4.18Å; V201-W225 HydrophobicContact CG1-CZ3 4.31Å; V201-W225 HydrophobicContact CG2-CD2 4.48Å; V201-W225 HydrophobicContact CG2-CE3 4.11Å; V201-W225 HydrophobicContact CG2-CH2 3.51Å; V201-W225 HydrophobicContact CG2-CZ2 3.89Å; V201-W225 HydrophobicContact CG2-CZ3 3.61Å; L211-W225 HydrophobicContact CB-CD2 4.13Å; L211-W225 HydrophobicContact CB-CE3 3.6Å; L211-W225 HydrophobicContact CB-CZ3 4.19Å; C213-W225 HydrophobicContact CB-CE3 3.91Å; C213-W225 HydrophobicContact CB-CH2 4.05Å; C213-W225 HydrophobicContact CB-CZ3 3.59Å
226K96Very high93.9Very high107 Ų10769 Ų6947%0.46536%0.358SS..EExtended strand (participates in β ladder)trans-119.1119.4172.8-171.1166.3-175.9167.50109.7Q212 V214 H224 R228Q212-K226 PolarHBondContact N-O 2.94Å; Q212-K226 PolarHBondContact O-N 3.19Å; V214-K226 HydrophobicContact CG2-CB 3.79Å; V214-K226 HydrophobicContact CG2-CD 4.13Å; H224-K226 PolarHBondContact O-N 3.38Å; K226-R228 PolarHBondContact O-N 2.66Å
227R96.6Very high94Very high133 Ų13369.1 Ų69.150%0.50236%0.362SS..EExtended strand (participates in β ladder)trans-66.4130.2174.4-167.4179.2-173.81759.4110.3D203 S209 Y210 L211D203-R227 WeakPolarHBondContact OD2-CD 3.27Å; D203-R227 IonicContact OD2-CZ 2.61Å; D203-R227 IonicContact OD2-NE 3.89Å; D203-R227 PolarHBondContact OD2-NE 2.01Å; D203-R227 IonicContact OD2-NH2 3.62Å; D203-R227 PolarHBondContact OD2-NH2 2.92Å; S209-R227 PolarHBondContact OG-NE 3.5Å; S209-R227 PolarHBondContact OG-NH2 2.83Å; Y210-R227 WeakPolarHBondContact O-CA 2.91Å; L211-R227 HydrophobicContact CD2-CB 3.91Å; L211-R227 HydrophobicContact CD2-CG 4.17Å
228R97.2Very high94Very high85 Ų8566.7 Ų66.732%0.32134%0.344SS..EExtended strand (participates in β ladder)trans-124.2129.9177.1-63.5-59.8-167.7169.55.1109.2S209 Y210 Q212 K226S209-R228 CarbonylContact C-O 3.43Å; S209-R228 WeakPolarHBondContact CA-O 3.48Å; S209-R228 VanDerWaalsContact CB-O 3.26Å; S209-R228 WeakPolarHBondContact CB-O 3.12Å; Y210-R228 HydrophobicContact CD1-CB 4.08Å; Y210-R228 HydrophobicContact CD2-CB 4.05Å; Y210-R228 HydrophobicContact CD2-CG 4.48Å; Y210-R228 HydrophobicContact CE1-CB 3.6Å; Y210-R228 HydrophobicContact CE2-CB 3.58Å; Y210-R228 HydrophobicContact CE2-CG 3.83Å; Y210-R228 HydrophobicContact CG-CB 4.29Å; Y210-R228 PolarHBondContact N-O 3.06Å; Y210-R228 PolarHBondContact O-N 3.29Å; Q212-R228 HydrophobicContact CB-CG 4.02Å; Q212-R228 VanDerWaalsContact OE1-NE 3.14Å; K226-R228 PolarHBondContact O-N 2.66Å
229P97.6Very high93.9Very high104 Ų10469.6 Ų69.668%0.67535%0.354SS*.EExtended strand (participates in β ladder)trans-73.7143.3172.631.3-33000110
230C97Very high94Very high17 Ų1770.2 Ų70.212%0.11536%0.362CS..PPolyproline II helixtrans-72.8164.1161.4-75.30000110.2R208 T234 C243R208-C230 WeakPolarHBondContact O-CB 3.4Å; R208-C230 PolarHBondContact O-N 3.09Å; C230-T234 WeakPolarHBondContact CB-OG1 3.38Å; C230-C243 WeakPolarHBondContact CA-SG 3.2Å; C230-C243 HydrophobicContact CB-CB 3.74Å; C230-C243 WeakPolarHBondContact CB-SG 3.48Å; C230-C243 WeakPolarHBondContact SG-CB 3.26Å; C230-C243 CovalentContact SG-SG 2.05Å; C230-C243 PolarHBondContact SG-SG 3.04Å
231A93.5Very high94.3Very high42 Ų4267.6 Ų67.635%0.34735%0.352SS..PPolyproline II helixtrans-62.9157.5172.700000110.9N233 T234A231-N233 PolarHBondContact O-N 3.41Å; A231-T234 HydrophobicContact CB-CG2 4.26Å; A231-T234 PolarHBondContact N-OG1 3.06Å; A231-T234 PolarHBondContact O-N 2.91Å; A231-T234 VanDerWaalsContact O-N 3.09Å; A231-T234 PolarHBondContact O-OG1 3Å
232P92.9Very high94.5Very high111 Ų11165.9 Ų65.972%0.72135%0.351SS*.THydrogen-bonded Turntrans-51.1137.2173.8-26.135000111.9T234P232-T234 PolarHBondContact O-N 2.05Å
233N90.3Very high94.7Very high112 Ų11267.4 Ų67.460%0.59936%0.362SS*.THydrogen-bonded Turntrans62.120.7-177.9-51.4-32.7000115.5A231 F245A231-N233 PolarHBondContact O-N 3.41Å; N233-F245 WeakPolarHBondContact O-CD1 2.98Å
234T94.4Very high94.6Very high4 Ų469.3 Ų69.33%0.02537%0.373CS..EExtended strand (participates in β ladder)trans-116.8150.7170.963.40000111.6C230 A231 P232 V244 F245C230-T234 WeakPolarHBondContact CB-OG1 3.38Å; A231-T234 HydrophobicContact CB-CG2 4.26Å; A231-T234 PolarHBondContact N-OG1 3.06Å; A231-T234 PolarHBondContact O-N 2.91Å; A231-T234 VanDerWaalsContact O-N 3.09Å; A231-T234 PolarHBondContact O-OG1 3Å; P232-T234 PolarHBondContact O-N 2.05Å; T234-V244 CarbonylContact C-O 3.49Å; T234-V244 WeakPolarHBondContact CA-O 3.3Å; T234-V244 WeakPolarHBondContact CB-O 2.99Å; T234-F245 HydrophobicContact CG2-CD1 3.48Å; T234-F245 VanDerWaalsContact CG2-CD1 3.48Å; T234-F245 HydrophobicContact CG2-CD2 4.31Å; T234-F245 HydrophobicContact CG2-CE1 3.33Å; T234-F245 HydrophobicContact CG2-CE2 4.2Å; T234-F245 HydrophobicContact CG2-CG 3.96Å; T234-F245 HydrophobicContact CG2-CZ 3.71Å
235V95.6Very high94.3Very high21 Ų2168 Ų6813%0.12737%0.367CS..EExtended strand (participates in β ladder)trans-122.5143.7176.6-66.60000109.5T207 R208 S237 C243 V244 Q246T207-V235 CarbonylContact O-C 3.38Å; T207-V235 VanDerWaalsContact O-CA 3.31Å; T207-V235 WeakPolarHBondContact O-CA 3.45Å; R208-V235 HydrophobicContact CG-CG1 4.48Å; V235-S237 PolarHBondContact O-N 3.43Å; V235-C243 CarbonylContact O-C 3.48Å; V235-C243 WeakPolarHBondContact O-CA 3.15Å; V235-V244 HydrophobicContact CG2-CG2 4.08Å; V235-V244 PolarHBondContact N-O 2.91Å; V235-V244 PolarHBondContact O-N 3.15Å; V235-Q246 HydrophobicContact CG1-CB 4.26Å; V235-Q246 HydrophobicContact CG1-CG 4.46Å; V235-Q246 HydrophobicContact CG2-CB 4.15Å; V235-Q246 HydrophobicContact CG2-CG 4.43Å
236F96.1Very high93.8Very high20 Ų2069.6 Ų69.69%0.08838%0.377CS..EExtended strand (participates in β ladder)trans-74.3121.7178.1-176.2-106.6000110.5L200 A202 T207 Y210 V238 Q241L200-F236 HydrophobicContact CB-CE2 4.45Å; L200-F236 HydrophobicContact CB-CZ 3.9Å; A202-F236 HydrophobicContact CB-CD1 4.38Å; T207-F236 PolarHBondContact O-N 2.88Å; Y210-F236 AromaticContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CD2 3.88Å; Y210-F236 HydrophobicContact CD1-CE2 4.4Å; Y210-F236 HydrophobicContact CD1-CG 4.47Å; Y210-F236 HydrophobicContact CD2-CE2 4.3Å; Y210-F236 AromaticContact CG-CD2 3.74Å; Y210-F236 HydrophobicContact CG-CD2 3.74Å; Y210-F236 AromaticContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CE2 3.94Å; Y210-F236 HydrophobicContact CG-CG 4.24Å; F236-V238 HydrophobicContact CD1-CG2 4.36Å; F236-V238 HydrophobicContact CE1-CG2 4.31Å; F236-Q241 HydrophobicContact CZ-CB 4.41Å
237S94.9Very high93Very high33 Ų3369.7 Ų69.723%0.23138%0.382CS..EExtended strand (participates in β ladder)trans-94.9116173.8179.40000110.3V235 T239 Q241 V242V235-S237 PolarHBondContact O-N 3.43Å; S237-T239 VanDerWaalsContact C-N 3.26Å; S237-T239 PolarHBondContact O-N 2.89Å; S237-Q241 VanDerWaalsContact O-CA 3.29Å; S237-Q241 WeakPolarHBondContact O-CA 3.48Å; S237-Q241 PolarHBondContact O-N 2.93Å; S237-V242 PolarHBondContact N-O 3Å; S237-V242 PolarHBondContact O-N 3.18Å
238V92.1Very high91.7Very high87 Ų8769.6 Ų69.653%0.52739%0.392SS..THydrogen-bonded Turntrans-63.4-34.9178.9-177.30000111.5A202 F236 I240A202-V238 HydrophobicContact CB-CG2 3.57Å; F236-V238 HydrophobicContact CD1-CG2 4.36Å; F236-V238 HydrophobicContact CE1-CG2 4.31Å; V238-I240 PolarHBondContact O-N 2.95Å
239T91.4Very high90.3Very high134 Ų13468.9 Ų68.982%0.82241%0.411SS*.THydrogen-bonded Turntrans-64.1-39.9-176.2-52.40000112.7S237S237-T239 VanDerWaalsContact C-N 3.26Å; S237-T239 PolarHBondContact O-N 2.89Å
240I91.3Very high88.6Confident94 Ų9469.1 Ų69.148%0.48241%0.406SS..THydrogen-bonded Turntrans-110.42.2-178.158.7167.2000113V238 V242 V244V238-I240 PolarHBondContact O-N 2.95Å; I240-V242 HydrophobicContact CB-CG1 4.22Å; I240-V242 HydrophobicContact CD1-CG1 3.31Å; I240-V242 HydrophobicContact CG1-CG1 3.58Å; I240-V242 PolarHBondContact O-N 3.06Å; I240-V244 HydrophobicContact CD1-CG1 3.45Å; I240-V244 VanDerWaalsContact CD1-CG1 3.45Å; I240-V244 HydrophobicContact CG1-CG1 4.45Å
241Q94.2Very high86.8Confident93 Ų9374 Ų7444%0.43544%0.437SS..THydrogen-bonded Turntrans50.537.4179.7-59.3-170.5-11.500114.6L200 F236 S237L200-Q241 HydrophobicContact CD1-CB 4.14Å; L200-Q241 WeakPolarHBondContact CD1-O 3.31Å; F236-Q241 HydrophobicContact CZ-CB 4.41Å; S237-Q241 VanDerWaalsContact O-CA 3.29Å; S237-Q241 WeakPolarHBondContact O-CA 3.48Å; S237-Q241 PolarHBondContact O-N 2.93Å
242V94.4Very high84.9Confident57 Ų5775.2 Ų75.235%0.34544%0.44SS..EExtended strand (participates in β ladder)trans-141.1154177.664.70000111S237 I240 V244S237-V242 PolarHBondContact N-O 3Å; S237-V242 PolarHBondContact O-N 3.18Å; I240-V242 HydrophobicContact CB-CG1 4.22Å; I240-V242 HydrophobicContact CD1-CG1 3.31Å; I240-V242 HydrophobicContact CG1-CG1 3.58Å; I240-V242 PolarHBondContact O-N 3.06Å; V242-V244 HydrophobicContact CG1-CG1 4.25Å; V242-V244 PolarHBondContact O-N 2.85Å
243C95.9Very high83.1Confident34 Ų3475.2 Ų75.223%0.2344%0.44CS..EExtended strand (participates in β ladder)trans-73.7122.8171.2-590000109.8C230 V235C230-C243 WeakPolarHBondContact CA-SG 3.2Å; C230-C243 HydrophobicContact CB-CB 3.74Å; C230-C243 WeakPolarHBondContact CB-SG 3.48Å; C230-C243 WeakPolarHBondContact SG-CB 3.26Å; C230-C243 CovalentContact SG-SG 2.05Å; C230-C243 PolarHBondContact SG-SG 3.04Å; V235-C243 CarbonylContact O-C 3.48Å; V235-C243 WeakPolarHBondContact O-CA 3.15Å
244V93.4Very high82Confident39 Ų3973.4 Ų73.424%0.23643%0.433CS..EExtended strand (participates in β ladder)trans-113.8153.6178.7-66.70000110.8T234 V235 I240 V242 Q246T234-V244 CarbonylContact C-O 3.49Å; T234-V244 WeakPolarHBondContact CA-O 3.3Å; T234-V244 WeakPolarHBondContact CB-O 2.99Å; V235-V244 HydrophobicContact CG2-CG2 4.08Å; V235-V244 PolarHBondContact N-O 2.91Å; V235-V244 PolarHBondContact O-N 3.15Å; I240-V244 HydrophobicContact CD1-CG1 3.45Å; I240-V244 VanDerWaalsContact CD1-CG1 3.45Å; I240-V244 HydrophobicContact CG1-CG1 4.45Å; V242-V244 HydrophobicContact CG1-CG1 4.25Å; V242-V244 PolarHBondContact O-N 2.85Å; V244-Q246 PolarHBondContact O-N 3.29Å
245F89.2Confident80.7Confident38 Ų3876.8 Ų76.817%0.16746%0.455CS..EExtended strand (participates in β ladder)trans-63.2135167.9-68.2-75.2000109.2N233 T234 D247 N268N233-F245 WeakPolarHBondContact O-CD1 2.98Å; T234-F245 HydrophobicContact CG2-CD1 3.48Å; T234-F245 VanDerWaalsContact CG2-CD1 3.48Å; T234-F245 HydrophobicContact CG2-CD2 4.31Å; T234-F245 HydrophobicContact CG2-CE1 3.33Å; T234-F245 HydrophobicContact CG2-CE2 4.2Å; T234-F245 HydrophobicContact CG2-CG 3.96Å; T234-F245 HydrophobicContact CG2-CZ 3.71Å; F245-D247 PolarHBondContact O-N 2.83Å; F245-D247 VanDerWaalsContact O-N 3.15Å; F245-N268 HydrophobicContact CD1-CB 3.63Å; F245-N268 HydrophobicContact CD2-CB 3.76Å; F245-N268 HydrophobicContact CE1-CB 3.5Å; F245-N268 HydrophobicContact CE2-CB 3.62Å; F245-N268 HydrophobicContact CG-CB 3.78Å; F245-N268 HydrophobicContact CZ-CB 3.51Å
246Q85.6Confident80.2Confident96 Ų9678.1 Ų78.145%0.44946%0.46SS..  trans-72.8107.5174.4-167.4161.214.700106.6V235 V244 D248V235-Q246 HydrophobicContact CG1-CB 4.26Å; V235-Q246 HydrophobicContact CG1-CG 4.46Å; V235-Q246 HydrophobicContact CG2-CB 4.15Å; V235-Q246 HydrophobicContact CG2-CG 4.43Å; V244-Q246 PolarHBondContact O-N 3.29Å; Q246-D248 PolarHBondContact O-N 2.87Å
247D78.4Confident79.7Confident109 Ų10978.5 Ų78.558%0.58346%0.463SS*.  trans-67.8105.2174.5-76.2-39.9000108.3F245 G249 Y269F245-D247 PolarHBondContact O-N 2.83Å; F245-D247 VanDerWaalsContact O-N 3.15Å; D247-G249 PolarHBondContact O-N 2Å; D247-Y269 PolarHBondContact OD1-OH 2.83Å
248D70.7Confident79.3Confident131 Ų13176.9 Ų76.970%0.70145%0.452SS*.  trans-73.442.4176.5-68.7-39.7000111.7Q246 I250Q246-D248 PolarHBondContact O-N 2.87Å; D248-I250 PolarHBondContact O-N 3.28Å; D248-I250 VanDerWaalsContact O-N 3.13Å
249G68Low79Confident71 Ų7175.9 Ų75.973%0.73244%0.443SS*.SBendtrans68.39.7173.800000115.7D247D247-G249 PolarHBondContact O-N 2Å
250I61.6Low78.6Confident109 Ų10973.2 Ų73.256%0.55943%0.429SS*.  trans-92.8118.9176.6-54.3178.3000108.4D248 T252D248-I250 PolarHBondContact O-N 3.28Å; D248-I250 VanDerWaalsContact O-N 3.13Å; I250-T252 PolarHBondContact O-N 3.23Å
251P57.9Low78Confident118 Ų11872.4 Ų72.477%0.76645%0.445SS*.  trans-62.9106.7175.224.8-31.5000109.2P253P251-P253 WeakPolarHBondContact O-CD 3.38Å
252T53.8Low77.4Confident68 Ų6872.9 Ų72.942%0.41745%0.453SS..  trans-72123.5172.934.60000109.7I250 T254 Y269I250-T252 PolarHBondContact O-N 3.23Å; T252-T254 PolarHBondContact O-N 2.95Å; T252-Y269 HydrophobicContact CG2-CD1 3.5Å; T252-Y269 VanDerWaalsContact CG2-CD1 3.5Å; T252-Y269 HydrophobicContact CG2-CE1 3.01Å; T252-Y269 HydrophobicContact CG2-CG 4.45Å
253P56.3Low76.7Confident112 Ų11275.5 Ų75.573%0.72746%0.461SS*.SBendtrans-71.6120.2172.327.9-29.7000108.7P251P251-P253 WeakPolarHBondContact O-CD 3.38Å
254T66.5Low76Confident73 Ų7377.1 Ų77.145%0.44847%0.466SS..SBendtrans67.3122.4177.763.20000116.3T252 Q256 I284T252-T254 PolarHBondContact O-N 2.95Å; T254-Q256 PolarHBondContact O-N 2.54Å; T254-I284 HydrophobicContact CG2-CD1 3.9Å
255P68Low75.5Confident76 Ų7675.9 Ų75.949%0.49446%0.461SS..  trans-67.5121176.127.6-32.3000109.5F266P255-F266 HydrophobicContact CB-CD1 4.21Å; P255-F266 HydrophobicContact CB-CE1 4.05Å
256Q83.5Confident75.2Confident48 Ų4879.3 Ų79.322%0.22448%0.476CS..EExtended strand (participates in β ladder)trans-101.4136.3172.8-58.9174.7-20.300108.4T254 F266 C267 M271 C279T254-Q256 PolarHBondContact O-N 2.54Å; Q256-F266 WeakPolarHBondContact O-CA 3.36Å; Q256-C267 HydrophobicContact CB-CB 3.98Å; Q256-C267 VanDerWaalsContact CB-SG 3.6Å; Q256-C267 PolarHBondContact O-N 3.06Å; Q256-C267 PolarHBondContact O-SG 3.13Å; Q256-M271 PolarHBondContact NE2-SD 3.32Å; Q256-M271 PolarHBondContact OE1-SD 3.14Å; Q256-C279 VanDerWaalsContact CB-SG 3.57Å
257I86.4Confident75.2Confident28 Ų2875.5 Ų75.514%0.14446%0.46CS..EExtended strand (participates in β ladder)trans-115.7144.2-172.863.8174.2000111.3I259 F263 G265 F266 C267 T280 V282I257-I259 HydrophobicContact CD1-CD1 3.64Å; I257-I259 HydrophobicContact CD1-CG1 3.93Å; I257-I259 HydrophobicContact CG1-CD1 3.94Å; I257-I259 HydrophobicContact CG1-CG1 3.9Å; I257-F263 HydrophobicContact CB-CD2 4.07Å; I257-F263 HydrophobicContact CB-CE2 3.9Å; I257-F263 HydrophobicContact CD1-CD2 4.34Å; I257-F263 HydrophobicContact CG2-CD2 4.25Å; I257-F263 HydrophobicContact CG2-CE2 3.71Å; I257-G265 CarbonylContact C-O 3.56Å; I257-G265 WeakPolarHBondContact CA-O 3.29Å; I257-F266 HydrophobicContact CG2-CD1 3.94Å; I257-F266 HydrophobicContact CG2-CE1 3.96Å; I257-C267 VanDerWaalsContact C-SG 3.54Å; I257-T280 HydrophobicContact CG1-CG2 3.92Å; I257-T280 PolarHBondContact N-O 3.4Å; I257-T280 VanDerWaalsContact N-O 3.1Å; I257-T280 PolarHBondContact O-N 3.13Å; I257-V282 HydrophobicContact CD1-CG2 3.42Å; I257-V282 VanDerWaalsContact CD1-CG2 3.42Å; I257-V282 HydrophobicContact CG1-CG2 3.69Å
258C87.1Confident75.4Confident0 Ų071.4 Ų71.40%044%0.438CS..EExtended strand (participates in β ladder)trans-88.8118.5174.4-63.40000109.2I264 G265 F266 C267 C273C258-I264 HydrophobicContact CB-CB 4.2Å; C258-I264 PolarHBondContact O-N 3.22Å; C258-G265 PolarHBondContact N-O 2.96Å; C258-F266 VanDerWaalsContact SG-C 3.58Å; C258-C267 VanDerWaalsContact SG-SG 3.65Å; C258-C273 WeakPolarHBondContact CA-SG 3.29Å; C258-C273 HydrophobicContact CB-CB 3.51Å; C258-C273 WeakPolarHBondContact CB-SG 3.16Å; C258-C273 WeakPolarHBondContact SG-CA 2.92Å; C258-C273 WeakPolarHBondContact SG-CB 3.18Å; C258-C273 CovalentContact SG-SG 2.01Å; C258-C273 PolarHBondContact SG-SG 3.31Å
259I84.7Confident75.9Confident65 Ų6570.4 Ų70.433%0.33343%0.426SS..EExtended strand (participates in β ladder)trans-122.5137.8179.8-50.2-179.5000109.5I257 V262 Q278 T280I257-I259 HydrophobicContact CD1-CD1 3.64Å; I257-I259 HydrophobicContact CD1-CG1 3.93Å; I257-I259 HydrophobicContact CG1-CD1 3.94Å; I257-I259 HydrophobicContact CG1-CG1 3.9Å; I259-V262 WeakPolarHBondContact CA-O 3.47Å; I259-Q278 PolarHBondContact N-O 2.74Å; I259-Q278 VanDerWaalsContact N-O 3.08Å; I259-Q278 PolarHBondContact O-N 3.42Å; I259-T280 HydrophobicContact CD1-CG2 3.49Å; I259-T280 VanDerWaalsContact CD1-CG2 3.49Å; I259-T280 HydrophobicContact CG1-CG2 4.04Å
260S84.4Confident76.8Confident78 Ų7873.5 Ų73.555%0.54542%0.421SS..SBendtrans-137.762.1165.3-176.60000108.7V262 I264S260-V262 PolarHBondContact N-O 3.33Å; S260-V262 VanDerWaalsContact N-O 3.13Å; S260-V262 PolarHBondContact O-N 2.61Å; S260-V262 VanDerWaalsContact O-N 3.09Å; S260-I264 VanDerWaalsContact CB-CD1 3.41Å
261G78Confident77.9Confident78 Ų7872.7 Ų72.780%0.80442%0.416SS*.SBendtrans75-22.5-168.300000114.7
262V81.4Confident79.2Confident102 Ų10271.8 Ų71.862%0.61840%0.402SS*.SBendtrans-131.8152.5172.8-175.70000108.5I259 S260 I264I259-V262 WeakPolarHBondContact CA-O 3.47Å; S260-V262 PolarHBondContact N-O 3.33Å; S260-V262 VanDerWaalsContact N-O 3.13Å; S260-V262 PolarHBondContact O-N 2.61Å; S260-V262 VanDerWaalsContact O-N 3.09Å; V262-I264 PolarHBondContact O-N 2.01Å
263F79.3Confident80.7Confident113 Ų11369.5 Ų69.550%0.49639%0.388SS..EExtended strand (participates in β ladder)trans-61.1123.2171.5173.8-96.9000110I257 G265 F266I257-F263 HydrophobicContact CB-CD2 4.07Å; I257-F263 HydrophobicContact CB-CE2 3.9Å; I257-F263 HydrophobicContact CD1-CD2 4.34Å; I257-F263 HydrophobicContact CG2-CD2 4.25Å; I257-F263 HydrophobicContact CG2-CE2 3.71Å; F263-G265 WeakPolarHBondContact CE2-O 3.5Å; F263-F266 HydrophobicContact CZ-CD2 4.39Å; F263-F266 HydrophobicContact CZ-CE2 4.01Å; F263-F266 HydrophobicContact CZ-CZ 4.14Å
264I81.9Confident81.7Confident68 Ų6867.4 Ų67.435%0.34937%0.374SS..EExtended strand (participates in β ladder)trans-103.6-33.8179-69.1166.4000111.2C258 S260 V262 P274 S277C258-I264 HydrophobicContact CB-CB 4.2Å; C258-I264 PolarHBondContact O-N 3.22Å; S260-I264 VanDerWaalsContact CB-CD1 3.41Å; V262-I264 PolarHBondContact O-N 2.01Å; I264-P274 HydrophobicContact CG2-CG 4.44Å; I264-S277 VanDerWaalsContact CD1-CB 3.42Å
265G82.7Confident82.4Confident13 Ų1367.6 Ų67.613%0.13439%0.391CS..EExtended strand (participates in β ladder)trans161.3-160.4-176.100000112.2I257 C258 F263I257-G265 CarbonylContact C-O 3.56Å; I257-G265 WeakPolarHBondContact CA-O 3.29Å; C258-G265 PolarHBondContact N-O 2.96Å; F263-G265 WeakPolarHBondContact CE2-O 3.5Å
266F83.8Confident83Confident109 Ų10972.9 Ų72.948%0.47841%0.411SS..EExtended strand (participates in β ladder)trans-100.9147.5176.8-61.2-83.6000110.9P255 Q256 I257 C258 F263P255-F266 HydrophobicContact CB-CD1 4.21Å; P255-F266 HydrophobicContact CB-CE1 4.05Å; Q256-F266 WeakPolarHBondContact O-CA 3.36Å; I257-F266 HydrophobicContact CG2-CD1 3.94Å; I257-F266 HydrophobicContact CG2-CE1 3.96Å; C258-F266 VanDerWaalsContact SG-C 3.58Å; F263-F266 HydrophobicContact CZ-CD2 4.39Å; F263-F266 HydrophobicContact CZ-CE2 4.01Å; F263-F266 HydrophobicContact CZ-CZ 4.14Å
267C85Confident83.1Confident17 Ų1771.2 Ų71.212%0.11541%0.405CS..PPolyproline II helixtrans-73.5157.3176.1-450000111.2Q256 I257 C258 C279Q256-C267 HydrophobicContact CB-CB 3.98Å; Q256-C267 VanDerWaalsContact CB-SG 3.6Å; Q256-C267 PolarHBondContact O-N 3.06Å; Q256-C267 PolarHBondContact O-SG 3.13Å; I257-C267 VanDerWaalsContact C-SG 3.54Å; C258-C267 VanDerWaalsContact SG-SG 3.65Å; C267-C279 HydrophobicContact CB-CB 3.87Å; C267-C279 WeakPolarHBondContact CB-SG 3.44Å; C267-C279 WeakPolarHBondContact SG-CA 2.93Å; C267-C279 WeakPolarHBondContact SG-CB 3.23Å; C267-C279 CovalentContact SG-SG 2Å; C267-C279 PolarHBondContact SG-SG 2.96Å
268N83Confident83.2Confident23 Ų2377.4 Ų77.412%0.12343%0.433CS..PPolyproline II helixtrans-77.6173.4164.267.813000112.2F245 Q270 M271 Q272F245-N268 HydrophobicContact CD1-CB 3.63Å; F245-N268 HydrophobicContact CD2-CB 3.76Å; F245-N268 HydrophobicContact CE1-CB 3.5Å; F245-N268 HydrophobicContact CE2-CB 3.62Å; F245-N268 HydrophobicContact CG-CB 3.78Å; F245-N268 HydrophobicContact CZ-CB 3.51Å; N268-Q270 PolarHBondContact O-N 2.92Å; N268-Q270 VanDerWaalsContact OD1-C 3.29Å; N268-Q270 VanDerWaalsContact OD1-CA 3.27Å; N268-Q270 WeakPolarHBondContact OD1-CA 3.4Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.11Å; N268-Q270 PolarHBondContact OD1-N 2.71Å; N268-M271 PolarHBondContact O-N 2.87Å; N268-M271 PolarHBondContact OD1-N 3.09Å; N268-Q272 PolarHBondContact N-O 2.92Å; N268-Q272 VanDerWaalsContact N-O 3.12Å; N268-Q272 PolarHBondContact ND2-OE1 2.81Å; N268-Q272 WeakPolarHBondContact OD1-CA 3.43Å; N268-Q272 WeakPolarHBondContact OD1-CB 3.44Å; N268-Q272 PolarHBondContact OD1-N 3.01Å; N268-Q272 PolarHBondContact OD1-O 3.47Å
269Y81.7Confident83.3Confident110 Ų11078.6 Ų78.643%0.43144%0.442SS..THydrogen-bonded Turntrans-54-16.8171.9-58.8-95.9000114.7D247 T252D247-Y269 PolarHBondContact OD1-OH 2.83Å; T252-Y269 HydrophobicContact CG2-CD1 3.5Å; T252-Y269 VanDerWaalsContact CG2-CD1 3.5Å; T252-Y269 HydrophobicContact CG2-CE1 3.01Å; T252-Y269 HydrophobicContact CG2-CG 4.45Å
270Q85.6Confident83.4Confident135 Ų13578.4 Ų78.463%0.63144%0.444SS*.THydrogen-bonded Turntrans-99.413.2178.2-61.8-174.8-22.800113.2N268 Q272N268-Q270 PolarHBondContact O-N 2.92Å; N268-Q270 VanDerWaalsContact OD1-C 3.29Å; N268-Q270 VanDerWaalsContact OD1-CA 3.27Å; N268-Q270 WeakPolarHBondContact OD1-CA 3.4Å; N268-Q270 WeakPolarHBondContact OD1-CB 3.11Å; N268-Q270 PolarHBondContact OD1-N 2.71Å; Q270-Q272 HydrophobicContact CB-CG 4.15Å; Q270-Q272 PolarHBondContact O-N 3.03Å
271M85.6Confident83.3Confident92 Ų9278.2 Ų78.245%0.45344%0.442SS..SBendtrans60.924.2-174.8-49-71.2-56.600113.7Q256 N268 C279Q256-M271 PolarHBondContact NE2-SD 3.32Å; Q256-M271 PolarHBondContact OE1-SD 3.14Å; N268-M271 PolarHBondContact O-N 2.87Å; N268-M271 PolarHBondContact OD1-N 3.09Å; M271-C279 HydrophobicContact CB-CB 4.31Å; M271-C279 HydrophobicContact CE-CB 4.32Å; M271-C279 WeakPolarHBondContact O-CB 3.3Å
272Q85.6Confident83Confident100 Ų10076.9 Ų76.947%0.46742%0.418SS..  trans-101.3141.4-179.2-61.5165.25.300110.5N268 Q270N268-Q272 PolarHBondContact N-O 2.92Å; N268-Q272 VanDerWaalsContact N-O 3.12Å; N268-Q272 PolarHBondContact ND2-OE1 2.81Å; N268-Q272 WeakPolarHBondContact OD1-CA 3.43Å; N268-Q272 WeakPolarHBondContact OD1-CB 3.44Å; N268-Q272 PolarHBondContact OD1-N 3.01Å; N268-Q272 PolarHBondContact OD1-O 3.47Å; Q270-Q272 HydrophobicContact CB-CG 4.15Å; Q270-Q272 PolarHBondContact O-N 3.03Å
273C84.5Confident82.1Confident19 Ų1976.6 Ų76.613%0.12842%0.419CS..  trans-117.1149.3174.4-65.80000110.1C258 G275 S277 C279C258-C273 WeakPolarHBondContact CA-SG 3.29Å; C258-C273 HydrophobicContact CB-CB 3.51Å; C258-C273 WeakPolarHBondContact CB-SG 3.16Å; C258-C273 WeakPolarHBondContact SG-CA 2.92Å; C258-C273 WeakPolarHBondContact SG-CB 3.18Å; C258-C273 CovalentContact SG-SG 2.01Å; C258-C273 PolarHBondContact SG-SG 3.31Å; C273-G275 PolarHBondContact O-N 2.93Å; C273-S277 WeakPolarHBondContact CB-O 3.3Å; C273-S277 WeakPolarHBondContact CB-OG 3.48Å; C273-C279 VanDerWaalsContact SG-CA 3.58Å
274P77.5Confident81.1Confident68 Ų6875.5 Ų75.544%0.44242%0.417SS..SBendtrans-61.5138173.524.1-31000110.9I264 S277I264-P274 HydrophobicContact CG2-CG 4.44Å; P274-S277 PolarHBondContact O-OG 2.86Å
275G80.7Confident79.9Confident78 Ų7877.9 Ų77.980%0.80444%0.439SS*.THydrogen-bonded Turntrans75.6-138.2179.100000113.8C273C273-G275 PolarHBondContact O-N 2.93Å
276M80.5Confident78.4Confident186 Ų18680.5 Ų80.592%0.91647%0.466SS*.THydrogen-bonded Turntrans-98.79.4-176.9-67.3-102.9-7000113.1
277S86.3Confident76.6Confident14 Ų1482.9 Ų82.910%0.09847%0.473CS..PPolyproline II helixtrans-76149.8-17755.20000111.6I264 C273 P274I264-S277 VanDerWaalsContact CD1-CB 3.42Å; C273-S277 WeakPolarHBondContact CB-O 3.3Å; C273-S277 WeakPolarHBondContact CB-OG 3.48Å; P274-S277 PolarHBondContact O-OG 2.86Å
278Q88.2Confident74.6Confident157 Ų15788 Ų8873%0.73451%0.506SS*.EExtended strand (participates in β ladder)trans-102.2136.6178.9-65.9-174.24.200109.6I259I259-Q278 PolarHBondContact N-O 2.74Å; I259-Q278 VanDerWaalsContact N-O 3.08Å; I259-Q278 PolarHBondContact O-N 3.42Å
279C89.5Confident73Confident26 Ų2694.4 Ų94.418%0.17654%0.536CS..EExtended strand (participates in β ladder)trans-76.6122.8172.8-173.90000109.4Q256 C267 M271 C273Q256-C279 VanDerWaalsContact CB-SG 3.57Å; C267-C279 HydrophobicContact CB-CB 3.87Å; C267-C279 WeakPolarHBondContact CB-SG 3.44Å; C267-C279 WeakPolarHBondContact SG-CA 2.93Å; C267-C279 WeakPolarHBondContact SG-CB 3.23Å; C267-C279 CovalentContact SG-SG 2Å; C267-C279 PolarHBondContact SG-SG 2.96Å; M271-C279 HydrophobicContact CB-CB 4.31Å; M271-C279 HydrophobicContact CE-CB 4.32Å; M271-C279 WeakPolarHBondContact O-CB 3.3Å; C273-C279 VanDerWaalsContact SG-CA 3.58Å
280T87Confident71.5Confident61 Ų6194.5 Ų94.537%0.37455%0.55SS..EExtended strand (participates in β ladder)trans-119.5135.9173.6-164.20000110.7I257 I259 V282I257-T280 HydrophobicContact CG1-CG2 3.92Å; I257-T280 PolarHBondContact N-O 3.4Å; I257-T280 VanDerWaalsContact N-O 3.1Å; I257-T280 PolarHBondContact O-N 3.13Å; I259-T280 HydrophobicContact CD1-CG2 3.49Å; I259-T280 VanDerWaalsContact CD1-CG2 3.49Å; I259-T280 HydrophobicContact CG1-CG2 4.04Å; T280-V282 HydrophobicContact CG2-CG2 4.43Å; T280-V282 PolarHBondContact O-N 2.9Å
281S81.5Confident70.3Confident73 Ų7392.2 Ų92.251%0.5155%0.554SS.*EExtended strand (participates in β ladder)trans-77.7114.2167.255.90000108P283S281-P283 VanDerWaalsContact O-CD 3.3Å; S281-P283 WeakPolarHBondContact O-CD 3.31Å
282V72.9Confident69.5Low50 Ų5093.7 Ų93.730%0.30357%0.571SS.*  trans-80.5116.4169.4-173.50000107.1I257 T280 I284I257-V282 HydrophobicContact CD1-CG2 3.42Å; I257-V282 VanDerWaalsContact CD1-CG2 3.42Å; I257-V282 HydrophobicContact CG1-CG2 3.69Å; T280-V282 HydrophobicContact CG2-CG2 4.43Å; T280-V282 PolarHBondContact O-N 2.9Å; V282-I284 PolarHBondContact O-N 2.98Å
283P62.4Low68.6Low97 Ų9793.3 Ų93.363%0.6359%0.585SS**  trans-62.3124.9171.225.1-30.5000108S281 S285S281-P283 VanDerWaalsContact O-CD 3.3Å; S281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-S285 PolarHBondContact O-N 2.94Å
284I58Low67.9Low89 Ų8998.3 Ų98.346%0.45662%0.617SS.*G310 helixtrans-61.9-1.2-175.3-68.3170.7000113T254 V282 G286T254-I284 HydrophobicContact CG2-CD1 3.9Å; V282-I284 PolarHBondContact O-N 2.98Å; I284-G286 PolarHBondContact O-N 2.68Å
285S56.4Low67.8Low118 Ų11899.4 Ų99.483%0.82563%0.631SS**G310 helixtrans-72.56.6-176.691.70000115.8P283P283-S285 PolarHBondContact O-N 2.94Å
286G50.8Low67.5Low68 Ų68101.7 Ų101.770%0.70163%0.632SS**G310 helixtrans-109.8-7.9-179.700000115.7I284I284-G286 PolarHBondContact O-N 2.68Å
287Y46.8Very low67Low159 Ų15997.1 Ų97.162%0.62462%0.624SS**SBendtrans-90.4127.8176.6-64.8-80000109.4Q289Y287-Q289 PolarHBondContact O-N 2.81Å
288P41.9Very low66.2Low124 Ų124102.6 Ų102.681%0.80566%0.659SS**  trans-59.9106.6171.722.5-28.8000108.3
289Q49.5Very low65.1Low158 Ų158100.5 Ų100.574%0.73867%0.668SS**PPolyproline II helixtrans-60.5129168.7-80.1-84.4-55.500107.2Y287 A291Y287-Q289 PolarHBondContact O-N 2.81Å; Q289-A291 PolarHBondContact O-N 2.66Å
290P50.5Low64Low112 Ų112102.7 Ų102.773%0.72770%0.696SS**PPolyproline II helixtrans-53.2128.1168.1-19.730.2000108.3
291A60.2Low62.7Low87 Ų87103.5 Ų103.572%0.71972%0.716SS**PPolyproline II helixtrans-52.9138.1174.100000109Q289 A293Q289-A291 PolarHBondContact O-N 2.66Å; A291-A293 PolarHBondContact O-N 3.42Å
292P69.9Low61.8Low124 Ų124104.9 Ų104.981%0.80572%0.724SS**PPolyproline II helixtrans-55.6132.8177.221.4-30.4000109.3
293A65.5Low61.2Low92 Ų92109.3 Ų109.376%0.7675%0.751SS**PPolyproline II helixtrans-55.7134.3-177.200000110.3A291A291-A293 PolarHBondContact O-N 3.42Å
294P71.2Confident60.9Low123 Ų123114.8 Ų114.880%0.79976%0.76SS**PPolyproline II helixtrans-60.6139.8173.323.7-30.5000109.8
295A73.5Confident61.3Low91 Ų91116 Ų11675%0.75277%0.774SS**PPolyproline II helixtrans-56.5140.5-179.800000111.1A297A295-A297 PolarHBondContact O-N 2.78Å
296P74.2Confident61.5Low127 Ų127116.7 Ų116.783%0.82578%0.776SS**PPolyproline II helixtrans-62126.6-179.122.9-30.7000110.8
297A70.4Confident61.6Low89 Ų89116.5 Ų116.574%0.73677%0.774SS**PPolyproline II helixtrans-67.7143.9173.400000110.7A295 A299A295-A297 PolarHBondContact O-N 2.78Å; A297-A299 PolarHBondContact O-N 3.48Å
298P69.8Low62Low129 Ų129118.1 Ų118.184%0.83879%0.787SS**PPolyproline II helixtrans-65.1132.1-178.323.9-31.1000112G300P298-G300 PolarHBondContact O-N 3.3Å; P298-G300 VanDerWaalsContact O-N 3.08Å
299A65.8Low62.4Low113 Ų113118.2 Ų118.293%0.93479%0.787SS**  trans-71.396-179.500000111.7A297A297-A299 PolarHBondContact O-N 3.48Å
300G65.2Low62.4Low73 Ų73113.7 Ų113.775%0.75378%0.783SS**  trans-105.9106.2163.200000109.9P298P298-G300 PolarHBondContact O-N 3.3Å; P298-G300 VanDerWaalsContact O-N 3.08Å
301G61.1Low62.4Low78 Ų78115.2 Ų115.280%0.80479%0.791SS**PPolyproline II helixtrans-86.7134.4174.500000111.8
302P61.7Low61.7Low102 Ų102120.2 Ų120.266%0.66280%0.799SS**PPolyproline II helixtrans-101125.7165.730.8-21.1000111Y304P302-Y304 HydrophobicContact CB-CE2 4.27Å; P302-Y304 HydrophobicContact CG-CE2 4.42Å
303T61.2Low60.6Low142 Ų142118.1 Ų118.187%0.87180%0.8SS**PPolyproline II helixtrans-73.4128.1164.235.40000109.9
304Y54.6Low59.7Low212 Ų212119.1 Ų119.183%0.83180%0.801SS**  trans-118.9134.3167.7-85.5-85.8000110.1P302P302-Y304 HydrophobicContact CB-CE2 4.27Å; P302-Y304 HydrophobicContact CG-CE2 4.42Å
305P67.7Low58.7Low115 Ų115122.1 Ų122.175%0.74781%0.807SS**  trans-90.1153.9164.933.5-28.9000111.8
306P59.8Low57.3Low132 Ų132123.9 Ų123.986%0.85781%0.811SS**  trans-95.2140.8-169.235-31.3000113.6
307G52.3Low55.8Low64 Ų64120.8 Ų120.866%0.6680%0.802SS**  trans159.4103.5160.600000114.6
308H56Low54.4Low193 Ų193126.3 Ų126.389%0.89481%0.805SS**  trans153133.2135.3-82.9-63.2000111.8
309P50.3Low53.3Low126 Ų126129 Ų12982%0.81880%0.8SS**  trans-96.4142.7172.735.8-27.7000111
310G49.6Very low52.5Low64 Ų64128.4 Ų128.466%0.6679%0.786SS**  trans180101.5173.300000115
311T51.7Low51.4Low143 Ų143130.8 Ų130.888%0.87779%0.791SS**  trans72126136.4310000122.2
312H44.6Very low50.6Low192 Ų192130.9 Ų130.989%0.88979%0.793SS**  trans-40.5149.1169-72.1-104.8000117.8
313G46Very low49.4Very low81 Ų81134.7 Ų134.784%0.83580%0.804SS**  trans-168.498.9159.800000111.8
314S48.2Very low48.3Very low112 Ų112137.1 Ų137.178%0.78380%0.802SS**  trans-76.3145173.3-52.60000112
315M48.8Very low47.8Very low187 Ų187134 Ų13492%0.92180%0.797SS**  trans-165123.3154-105.3-87.3175.300110.1
316P44.3Very low46.3Very low128 Ų128135.7 Ų135.783%0.83180%0.8SS**  trans-116.3153.1167.236.5-24.5000112.4
317G43Very low45.8Very low62 Ų62139.9 Ų139.964%0.63980%0.8SS**  trans-172.9114.6168.500000112
318Y41.8Very low45.2Very low204 Ų204144.2 Ų144.280%0.880%0.803SS**  79133.3106.8-96.4-110.6000114.5
319Y44.7Very low44.5Very low187 Ų187141.8 Ų141.873%0.73380%0.802SS**  cis-165.7172.3-1.3-130.6-120.6000107.6
320P49.2Very low44.1Very low99 Ų99145.4 Ų145.464%0.64380%0.8SS**  trans-111.6176.9-165.340.2-28.3000114.7
321S42Very low43.9Very low123 Ų123151.3 Ų151.386%0.8681%0.81SS**  trans145134.3133.7-66.30000114.4
322G45Very low43.6Very low81 Ų81149.9 Ų149.984%0.83580%0.801SS**  trans-163.799.716500000110.7
323M37.7Very low43.5Very low181 Ų181150 Ų15089%0.89280%0.799SS**  trans-85.9149.4173.3-62.4-150.4-68.900110.9
324F37Very low43.7Very low193 Ų193156.1 Ų156.185%0.84680%0.803SS**  trans-153.9114.3147.2-138.6-101.3000115.1
325M43.7Very low43.3Very low146 Ų146154.4 Ų154.472%0.71980%0.802SS**  trans51.2112.2145.4-68.3-73-179.600122.2
326D37.4Very low43.3Very low152 Ų152155.5 Ų155.581%0.81380%0.802SS**  trans-100.9140.1153.8-165.2-6000109.3
327Y48.4Very low43.3Very low219 Ų219161.2 Ų161.286%0.85981%0.807SS**  trans-109.4118178.4-131.8-89.6000109.9
328Q40.3Very low43.5Very low155 Ų155166.1 Ų166.172%0.72482%0.818SS**  trans-54.9152.5-179.2-59.1-172.3-1.300114.2
329T41.7Very low43.7Very low142 Ų142162.5 Ų162.587%0.87182%0.816SS**  -152116.9113.6-520000111.2
330R41.2Very low43.4Very low202 Ų202159.3 Ų159.376%0.76282%0.819SS**  trans-84.7140.8167-73.4178175.5-161.7-0.5110.1
331Q46.3Very low43.2Very low188 Ų188162.7 Ų162.788%0.87983%0.83SS**  trans-132.3142.3144.1-83.9-64.7-20.200109.8
332V45.3Very low43.2Very low114 Ų114167.8 Ų167.869%0.69183%0.831SS**  trans-100.4140.4-148.1164.50000112
333K42.1Very low43.1Very low193 Ų193173.4 Ų173.484%0.83983%0.833SS**  trans-49.8141.9163.3-86.4174.4172.61710112.5
334K49.5Very low43.3Very low211 Ų211172.8 Ų172.892%0.91783%0.828SS**  trans-153.7111133.6-110.5170.9-173.7177.60110.3
335G41.1Very low43.5Very low75 Ų75175 Ų17577%0.77383%0.83SS**  trans-78.2163.3173.500000112.7
336K47.5Very low43.5Very low211 Ų211175.4 Ų175.492%0.91784%0.835SS**  trans-152.8119.4148.4-101.4175-175.2-177.70108.2
337R43.7Very low43.5Very low247 Ų247172.6 Ų172.693%0.93283%0.833SS**  trans-62.9134.7166.8-77.4176.8172.1176.3-3.1109.2
338L48.9Very low43.2Very low166 Ų166168 Ų16887%0.86983%0.83SS**  trans-143.6119.9149.8-94.4162.9000109.4
339V44.9Very low43.2Very low127 Ų127164.8 Ų164.877%0.7783%0.83SS**  trans-0.4141.5159-170.20000119
340P38.4Very low43.3Very low120 Ų120167.5 Ų167.578%0.77983%0.83SS**PPolyproline II helixtrans-82.1136.8-174.333.9-33.8000112.9
341L45.4Very low43.1Very low170 Ų170168.4 Ų168.489%0.8984%0.835SS**PPolyproline II helixtrans-97.3117.4165.6-88.6162.9000110.1
342R41.8Very low43.1Very low231 Ų231164.9 Ų164.987%0.87283%0.829SS**PPolyproline II helixtrans-58.3131.2165.1-81.6175.5170.3159.9-3.5109.8
343F43.2Very low42.9Very low199 Ų199166.8 Ų166.887%0.87384%0.835SS**  trans-121.3108.8149-105.7-86.3000108.5
344Q41.2Very low42.7Very low168 Ų168161 Ų16179%0.78582%0.824SS**  trans-69.8133.5160-78.6176.3-32.200108.2
345R42.8Very low42.5Very low240 Ų240159.5 Ų159.591%0.90682%0.82SS**  trans-145.3134.5143.2-108.8178.9-171.1-1792.2110.1
346N43.5Very low42.8Very low154 Ų154162.3 Ų162.382%0.82482%0.817SS**  trans-64.2153.3-164.6-61.6-37.2000115.1
347A37.4Very low42.7Very low92 Ų92163.7 Ų163.776%0.7682%0.816SS**  trans-74.2178.8168.100000111.9
348P42Very low42.8Very low122 Ų122159.4 Ų159.479%0.79281%0.807SS**  -141.5158.874.833.7-14.3000115.8
349A38.7Very low42.6Very low88 Ų88160.2 Ų160.273%0.72781%0.806SS**  trans-74.3149.8172.800000112.3
350F44.7Very low42.4Very low200 Ų200157.8 Ų157.888%0.87781%0.807SS**  trans-139.9116.1155.5-105.3-87.9000108.8
351Y37Very low42.4Very low220 Ų220160.8 Ų160.886%0.86381%0.811SS**  trans-117.2147.6152.7-98-84.4000105.8
352P47.2Very low42.3Very low115 Ų115158.7 Ų158.775%0.74781%0.805SS**  -139.7146.211828.1-9.8000114.2
353N40.4Very low42.2Very low153 Ų153151.7 Ų151.782%0.81880%0.797SS**  trans-38.1172.1149.2-69.8-24.1000112.9
354A38.3Very low41.9Very low73 Ų73147.6 Ų147.660%0.60379%0.793SS**  cis-176172-1800000103.8
355E45.1Very low41.9Very low179 Ų179149.4 Ų149.484%0.83680%0.798SS**  trans93.1139.5159.4-58.9165.7163.300119.3
356D45.9Very low41.7Very low134 Ų134143.7 Ų143.772%0.71779%0.79SS**  trans75.1105.7163.5-56.1-19000119.4
357W47.3Very low41.4Very low239 Ų239146.5 Ų146.591%0.90579%0.789SS**  177.9121.496.9-93.994.8000112.2
358E45.1Very low41.6Very low158 Ų158149.5 Ų149.574%0.73879%0.785SS**  trans-52138.3166.9-89.6-178154.100113.3
359E44.1Very low41.4Very low182 Ų182152 Ų15285%0.8579%0.786SS**  83.9127.795.6-153.5174.9-137.100113.7
360G41.4Very low41.3Very low77 Ų77157 Ų15779%0.79479%0.794SS**  trans161.589174.400000114.9
361Q38.5Very low41.2Very low182 Ų182154.1 Ų154.185%0.8578%0.783SS**  trans-65167.5176.7-65.4179.5-11.600114.5
362V41.9Very low41.5Very low126 Ų126151 Ų15176%0.76478%0.779SS**  131115.4128.2-174.30000115.4
363A40.4Very low41.4Very low85 Ų85148.9 Ų148.970%0.70278%0.779SS**  trans65.6112.5143.800000122.2
364S37.3Very low41.5Very low113 Ų113149 Ų14979%0.7978%0.78SS**  trans-36.4128.7140.950.80000115
365K41.5Very low41.8Very low206 Ų206152.6 Ų152.690%0.89679%0.794SS**  trans-153138.4140.1-110.6170.5-172.51790111.2
366T38.9Very low41.8Very low120 Ų120147.5 Ų147.574%0.73679%0.789SS**  trans-61.3150.1-177.841.50000113
367W36.6Very low41.5Very low212 Ų212150.5 Ų150.580%0.80380%0.799SS**  179.7127.8121.2-105.657.6000113.9
368K41Very low41Very low156 Ų156143.6 Ų143.668%0.67879%0.793SS**  trans34.1120.9143.3-66.9-176.1-177.3168.70122.4
369H37.5Very low40.4Very low173 Ų173142.3 Ų142.380%0.80180%0.796SS**  trans-7.9123.8132.8-99.4136.7000116.6
370Q37.7Very low39.9Very low193 Ų193140.1 Ų140.190%0.90280%0.795SS**  -156.6159.3123.9-136.3168.6-3.100112.2
371H41.4Very low39.3Very low141 Ų141143.9 Ų143.965%0.65380%0.796SS**  trans-89.9154.1-148.4-98.3-97.3000115.7
372I43.4Very low38.9Very low153 Ų153142.4 Ų142.479%0.78579%0.794SS**  trans69.3124.3135.3-63.3162.9000119.2
373G45Very low38.3Very low72 Ų72142.1 Ų142.174%0.74279%0.792SS**  trans169.189.5154.300000113.2
374N41.9Very low37.7Very low156 Ų156143.8 Ų143.883%0.83480%0.797SS**  trans-41.2153.3170.7-66.7-43.9000113.1
375V45.4Very low37.5Very low147 Ų147144 Ų14489%0.89180%0.798SS**  -171141.256.3172.50000107.2
376G46Very low37.1Very low72 Ų72143.3 Ų143.374%0.74280%0.797SS**  trans151.469.4161.400000118
377Q39.5Very low36.8Very low198 Ų198145.8 Ų145.893%0.92580%0.804SS**  trans17.6120151.7-65.1178-2400120.9
378A36Very low36.8Very low93 Ų93138.9 Ų138.977%0.76980%0.799SS**  -169.7114.6126.900000112.2
379T32Very low36.7Very low131 Ų131141.3 Ų141.380%0.80481%0.809SS**  trans31.9114.4146.652.60000120.8
380V34.6Very low36.8Very low136 Ų136137.8 Ų137.882%0.82480%0.802SS**  -154.6127.6122.3-179.30000108.6N382V380-N382 PolarHBondContact O-N 3.36Å
381L29Very low37Very low157 Ų157135.9 Ų135.982%0.82280%0.798SS**  trans-63.3118.2171.5-118.991.6000110V383L381-V383 HydrophobicContact CD2-CG2 4.14Å
382N29.7Very low36.9Very low151 Ų151134.8 Ų134.881%0.80781%0.806SS**  trans-102.9114.6160.4-91.3-36.4000108V380V380-N382 PolarHBondContact O-N 3.36Å
383V30.3Very low36.4Very low120 Ų120133.9 Ų133.973%0.72781%0.807SS**  trans-100.4100.9164.9-179.70000107.2L381L381-V383 HydrophobicContact CD2-CG2 4.14Å
384C27.4Very low35.9Very low120 Ų120138 Ų13881%0.81181%0.807SS**  trans-85.5125.6159.5-77.60000108.1
385C31.7Very low35.3Very low118 Ų118138 Ų13880%0.79781%0.806SS**  trans-126.9125.1160-83.50000110.9
386H33Very low35Very low191 Ų191139.1 Ų139.188%0.88480%0.799SS**  trans-55.5138.8177.3-106.5-101.4000113.5
387I34.4Very low34.8Very low172 Ų172147.1 Ų147.188%0.88282%0.823SS**  trans-83.1111.6162.2-64.4172.5000107.7
388G36.3Very low34.6Very low67 Ų67144.6 Ų144.669%0.69182%0.818SS**  trans-136.8102.3174.900000111.4
389K37.5Very low34.5Very low206 Ų206147.3 Ų147.390%0.89682%0.821SS**  trans50.6152.1154.5-79.2-174.2-179.21790121.9
390P39.7Very low34.6Very low100 Ų100148.2 Ų148.265%0.64982%0.822SS**  trans-94.6167.1-155.138.4-33.3000113.2
391N41.9Very low34.6Very low152 Ų152148.9 Ų148.981%0.81382%0.822SS**  trans113.6125.2160.2-54.2-30.7000115.5
392S40.9Very low35Very low119 Ų119148.4 Ų148.483%0.83282%0.822SS**  trans98.589.9168.2770000119
393V32.1Very low35.4Very low134 Ų134148.3 Ų148.381%0.81282%0.823SS**  8128.7126.7-162.50000118.3
394Q35.5Very low35.7Very low159 Ų159150.3 Ų150.374%0.74383%0.829SS**  178.1133.9110.2-91.2-177.78.200111.6F396Q394-F396 HydrophobicContact CB-CE2 4.31Å
395I28.3Very low36.4Very low156 Ų156152.6 Ų152.680%0.883%0.831SS**  trans-89.6139.3173-62168.5000107.7
396F39.7Very low36.8Very low170 Ų170155.5 Ų155.575%0.74683%0.834SS**  trans-136.8117.1156.1-79.8-81.5000111.5Q394Q394-F396 HydrophobicContact CB-CE2 4.31Å
397L41.8Very low37.1Very low240 Ų240152.3 Ų152.3100%1.25783%0.829SS**  trans66.30165.6-68.6159.9000118.8

Retrieved 397 of 397 residues in 431.3 ms (Link to these results)