A0A087XMZ2_POEFO Loading...

Collagen and calcium binding EGF domains 1

AlphaFold DB , UniProt , Accession A0A087XMZ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 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
1M31.6Very low33.4Very low227 Ų227154.8 Ų154.8100%1.11881%0.81SS**  0121.40-72.5165.3177.300106.2
2L27Very low33.3Very low152 Ų152154.4 Ų154.480%0.79681%0.808SS**  66.7125.571.1-60.4172.6000110.1
3L29.8Very low33.3Very low156 Ų156152.5 Ų152.582%0.81781%0.807SS**  cis-151.6165.510.8-113.2159.1000114.1
4Q33.8Very low33.5Very low165 Ų165150.9 Ų150.977%0.77181%0.805SS**  trans-72.7176.5169.3-120.8179.7-1.100110.9
5P41.2Very low33.5Very low103 Ų103148.9 Ų148.967%0.66980%0.801SS**  -158.1164.852.443.6-22000120.8
6N31.3Very low33.4Very low121 Ų121146.3 Ų146.365%0.64780%0.796SS**  trans62.6154.2142.8-76-30.2000120.6
7R33.5Very low33.6Very low223 Ų223146.6 Ų146.684%0.84279%0.793SS**  cis-150.61484-132.5163.2-160172.32.2110.5
8S34.7Very low33.7Very low101 Ų101144.1 Ų144.171%0.70679%0.787SS**PPolyproline II helixtrans-103.1151.8169.149.20000111.9
9P36.8Very low34.2Very low126 Ų126146.6 Ų146.682%0.81879%0.79SS**PPolyproline II helixtrans-87.1147.1158.934.4-30.2000110.6
10L33.9Very low34.4Very low156 Ų156144.8 Ų144.882%0.81779%0.789SS**PPolyproline II helixtrans-86.2151.1172.8-63.294000111
11L33.3Very low34.6Very low173 Ų173141.7 Ų141.791%0.90679%0.79SS**  trans-130.6127155.3-15675000108.1T13L11-T13 PolarHBondContact O-N 3.13Å
12L32.9Very low35.1Very low150 Ų150135.6 Ų135.679%0.78578%0.777SS**  trans-74.7125.6-176.1-84.974.8000110.9V14L12-V14 PolarHBondContact O-N 2.71Å
13T33.5Very low35.6Very low130 Ų130134.9 Ų134.980%0.79877%0.773SS**  trans-77.796.7166.350.20000110.2L11 T15L11-T13 PolarHBondContact O-N 3.13Å; T13-T15 PolarHBondContact O-N 3.24Å
14V35.1Very low35.9Very low130 Ų130135.3 Ų135.379%0.78878%0.775SS**  trans-84.8102.7168.1-179.90000108.6L12 C16L12-V14 PolarHBondContact O-N 2.71Å; V14-C16 PolarHBondContact O-N 2.94Å; V14-C16 VanDerWaalsContact O-N 3.16Å
15T34.8Very low35.8Very low121 Ų121137.2 Ų137.274%0.74278%0.775SS**  trans-76.797179.749.50000111.5T13 M17T13-T15 PolarHBondContact O-N 3.24Å; T15-M17 PolarHBondContact O-N 2.76Å
16C30.7Very low35.5Very low106 Ų106137 Ų13772%0.71678%0.776SS**  trans-86.6102167.3-162.50000109.9V14 C18V14-C16 PolarHBondContact O-N 2.94Å; V14-C16 VanDerWaalsContact O-N 3.16Å; C16-C18 VanDerWaalsContact C-N 3.28Å; C16-C18 PolarHBondContact O-N 3.4Å
17M37.5Very low35.8Very low152 Ų152140.8 Ų140.875%0.74978%0.782SS**  trans-78.970.2179.4-75.8-91.9-97.100111.5T15 F19T15-M17 PolarHBondContact O-N 2.76Å; M17-F19 HydrophobicContact CE-CE2 4.26Å; M17-F19 PolarHBondContact O-N 3.41Å; M17-F19 VanDerWaalsContact O-N 3.12Å; M17-F19 HydrophobicContact SD-CE2 4.48Å
18C34.7Very low35.8Very low102 Ų102137.6 Ų137.669%0.68978%0.777SS**  trans-78.488.6169.5-72.40000110.7C16 S20C16-C18 VanDerWaalsContact C-N 3.28Å; C16-C18 PolarHBondContact O-N 3.4Å; C18-S20 PolarHBondContact O-N 2.88Å; C18-S20 VanDerWaalsContact O-N 3.16Å
19F44.3Very low36.1Very low192 Ų192139.8 Ų139.884%0.84278%0.776SS**  trans-69.3102.3162.1-92.6-96.8000109.8M17M17-F19 HydrophobicContact CE-CE2 4.26Å; M17-F19 PolarHBondContact O-N 3.41Å; M17-F19 VanDerWaalsContact O-N 3.12Å; M17-F19 HydrophobicContact SD-CE2 4.48Å
20S38.3Very low36.2Very low110 Ų110141.8 Ų141.877%0.76978%0.775SS**  trans-128.8131.2158.149.20000108.9C18C18-S20 PolarHBondContact O-N 2.88Å; C18-S20 VanDerWaalsContact O-N 3.16Å
21G38.8Very low36.5Very low79 Ų79141.4 Ų141.481%0.81477%0.773SS**  trans-68.6137.3-165.400000113.5L23G21-L23 PolarHBondContact O-N 3.05Å; G21-L23 VanDerWaalsContact O-N 3.17Å
22A40.8Very low37Very low100 Ų100137.2 Ų137.283%0.82676%0.764SS**  trans-71.5106.8172.800000111
23L38.7Very low37.4Very low137 Ų137135.4 Ų135.472%0.71776%0.764SS**  trans-12573.3154.6-81177.2000108.8G21 W25G21-L23 PolarHBondContact O-N 3.05Å; G21-L23 VanDerWaalsContact O-N 3.17Å; L23-W25 PolarHBondContact O-N 3.21Å
24L36Very low38.1Very low165 Ų165138 Ų13886%0.86477%0.767SS**  trans-71.480.7164.3-173.374.8000108S26L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 2.75Å
25W31.5Very low38.8Very low205 Ų205134.9 Ų134.978%0.77776%0.761SS**  trans-68.787.6169.9-81.1-6.7000109.4L23 Y27L23-W25 PolarHBondContact O-N 3.21Å; W25-Y27 PolarHBondContact O-N 3.46Å; W25-Y27 VanDerWaalsContact O-N 3.07Å
26S33.4Very low40.1Very low97 Ų97132.5 Ų132.568%0.67874%0.742SS**  trans-57.3108.6157.150.60000108L24 Q28L24-S26 VanDerWaalsContact C-N 3.25Å; L24-S26 PolarHBondContact O-N 2.75Å; S26-Q28 PolarHBondContact O-N 3.39Å
27Y39Very low41.7Very low201 Ų201137.2 Ų137.279%0.78875%0.75SS**  trans-69.682.2169-169.2-96.5000107.9W25 E29W25-Y27 PolarHBondContact O-N 3.46Å; W25-Y27 VanDerWaalsContact O-N 3.07Å; Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 HydrophobicContact CD1-CB 4.19Å; Y27-E29 HydrophobicContact CE1-CB 4.01Å; Y27-E29 HydrophobicContact CE1-CG 4.23Å; Y27-E29 PolarHBondContact O-N 2.84Å
28Q33Very low43.4Very low157 Ų157132.4 Ų132.473%0.73473%0.731SS**  trans-72.797.1167.7-175.6167.2-15.300106.4S26 E30S26-Q28 PolarHBondContact O-N 3.39Å; Q28-E30 VanDerWaalsContact C-N 3.3Å; Q28-E30 PolarHBondContact O-N 2.9Å
29E40.3Very low45.4Very low147 Ų147130.7 Ų130.769%0.68772%0.72SS**  trans-63.895.4168.4-167.3160.1-150.200106.7Y27 D31Y27-E29 VanDerWaalsContact C-N 3.32Å; Y27-E29 HydrophobicContact CD1-CB 4.19Å; Y27-E29 HydrophobicContact CE1-CB 4.01Å; Y27-E29 HydrophobicContact CE1-CG 4.23Å; Y27-E29 PolarHBondContact O-N 2.84Å; E29-D31 PolarHBondContact O-N 3.44Å
30E39.6Very low46.8Very low167 Ų167130.4 Ų130.478%0.7872%0.721SS**  trans-63.4110.4172.3-72.9-167.8126.700107.7Q28 A32Q28-E30 VanDerWaalsContact C-N 3.3Å; Q28-E30 PolarHBondContact O-N 2.9Å; E30-A32 VanDerWaalsContact C-N 3.27Å; E30-A32 PolarHBondContact O-N 2.96Å
31D39.8Very low48.6Very low148 Ų148130.5 Ų130.579%0.79171%0.713SS**  trans-57.890.3174-92.6-52.1000109.8E29 S33E29-D31 PolarHBondContact O-N 3.44Å; D31-S33 PolarHBondContact O-N 3.41Å; D31-S33 PolarHBondContact O-OG 3.48Å; D31-S33 VanDerWaalsContact O-OG 3.13Å
32A44.2Very low50.7Low85 Ų85129.4 Ų129.470%0.70269%0.688SS**  trans-69.170.5177.800000110.3E30 E34E30-A32 VanDerWaalsContact C-N 3.27Å; E30-A32 PolarHBondContact O-N 2.96Å; A32-E34 PolarHBondContact O-N 2.03Å
33S41.5Very low52.7Low113 Ų113125.4 Ų125.479%0.7965%0.653SS**  trans-77.1-1.4176.845.90000112.7D31 G35D31-S33 PolarHBondContact O-N 3.41Å; D31-S33 PolarHBondContact O-OG 3.48Å; D31-S33 VanDerWaalsContact O-OG 3.13Å; S33-G35 PolarHBondContact O-N 2.83Å
34E47.2Very low54.9Low183 Ų183119.3 Ų119.386%0.85562%0.622SS**SBendtrans-63.688.7147.8-70.8-157.9133.300109A32 E36A32-E34 PolarHBondContact O-N 2.03Å; E34-E36 PolarHBondContact O-N 2.99Å
35G51.6Low57.2Low65 Ų65114.8 Ų114.867%0.6760%0.601SS**  trans-47.6125.3-175.200000112.6S33 K37S33-G35 PolarHBondContact O-N 2.83Å; G35-K37 PolarHBondContact O-N 3.21Å
36E60.2Low59.8Low71 Ų71107.6 Ų107.633%0.33258%0.58SS.*  trans-44.4101.1-164.9-64.6-164.973.400113.2E34 C38 S44 K64 K67E34-E36 PolarHBondContact O-N 2.99Å; E36-C38 PolarHBondContact O-N 3.35Å; E36-S44 PolarHBondContact OE1-OG 3.43Å; E36-K64 WeakPolarHBondContact OE1-CE 3.03Å; E36-K64 IonicContact OE1-NZ 3.5Å; E36-K64 PolarHBondContact OE1-NZ 3.43Å; E36-K64 IonicContact OE2-NZ 3.19Å; E36-K67 VanDerWaalsContact OE2-CE 3.24Å; E36-K67 WeakPolarHBondContact OE2-CE 3.26Å; E36-K67 IonicContact OE2-NZ 3.59Å
37K65.1Low62.4Low205 Ų205110.2 Ų110.289%0.89158%0.579SS**  trans-73.483.4-177.1-166.7172.2-174.6174.80110.5G35 S39G35-K37 PolarHBondContact O-N 3.21Å; K37-S39 PolarHBondContact O-N 2.83Å
38C73.1Confident64.6Low51 Ų51105.8 Ų105.835%0.34556%0.562SS.*  trans-56.5128.4178-162.50000110.3E36 N42 C66E36-C38 PolarHBondContact O-N 3.35Å; C38-N42 VanDerWaalsContact SG-CA 3.55Å; C38-C66 VanDerWaalsContact CA-SG 3.57Å; C38-C66 HydrophobicContact CB-CB 4.1Å; C38-C66 WeakPolarHBondContact CB-SG 3.24Å; C38-C66 WeakPolarHBondContact SG-CB 3.39Å; C38-C66 CovalentContact SG-SG 2.03Å; C38-C66 PolarHBondContact SG-SG 3.09Å
39S76.7Confident67.4Low66 Ų66103.2 Ų103.246%0.46256%0.559SS.*BIsolated β-bridgetrans-71.4155.2171.1-177.40000110.1K37 N41 N42 I43K37-S39 PolarHBondContact O-N 2.83Å; S39-N41 PolarHBondContact O-N 2.93Å; S39-N42 WeakPolarHBondContact O-CA 3.19Å; S39-N42 PolarHBondContact O-N 3.35Å; S39-I43 VanDerWaalsContact CB-O 3.23Å; S39-I43 WeakPolarHBondContact CB-O 2.94Å; S39-I43 PolarHBondContact N-O 3.35Å
40E73.7Confident69.8Low187 Ų18797.4 Ų97.487%0.87453%0.534SS*.THydrogen-bonded Turntrans-49.9-29.4-179.7-61.8175.2162.200113.7N42E40-N42 PolarHBondContact O-N 2.97Å
41N75.8Confident72.3Confident111 Ų11193.7 Ų93.759%0.59452%0.522SS*.THydrogen-bonded Turntrans-81.117.2176.1-64.50.7000114S39 I43S39-N41 PolarHBondContact O-N 2.93Å; N41-I43 VanDerWaalsContact C-N 3.29Å; N41-I43 HydrophobicContact CB-CD1 4.22Å; N41-I43 PolarHBondContact O-N 2.82Å
42N82.8Confident74.5Confident56 Ų5691.3 Ų91.330%0.29951%0.505SS..THydrogen-bonded Turntrans57.132.9-174.4-58.7-53.7000115.1C38 S39 E40 C65 C66 F69 C76C38-N42 VanDerWaalsContact SG-CA 3.55Å; S39-N42 WeakPolarHBondContact O-CA 3.19Å; S39-N42 PolarHBondContact O-N 3.35Å; E40-N42 PolarHBondContact O-N 2.97Å; N42-C65 WeakPolarHBondContact O-CA 3.28Å; N42-C66 VanDerWaalsContact C-SG 3.5Å; N42-C66 PolarHBondContact O-N 3.07Å; N42-C66 PolarHBondContact O-SG 3.06Å; N42-C66 VanDerWaalsContact O-SG 3.41Å; N42-F69 HydrophobicContact CB-CD1 3.72Å; N42-F69 HydrophobicContact CB-CD2 4.17Å; N42-F69 HydrophobicContact CB-CE1 3.75Å; N42-F69 HydrophobicContact CB-CE2 4.19Å; N42-F69 HydrophobicContact CB-CG 3.95Å; N42-F69 HydrophobicContact CB-CZ 3.99Å; N42-F69 WeakPolarHBondContact ND2-CE1 3.47Å; N42-F69 WeakPolarHBondContact OD1-CZ 3.11Å; N42-C76 HydrophobicContact CB-CB 3.88Å; N42-C76 PolarHBondContact O-SG 2.94Å
43I84.3Confident76.6Confident17 Ų1793.6 Ų93.69%0.08752%0.516CS..EExtended strand (participates in β ladder)trans-114.5124.9-177.5-67.7166.2000111S39 N41 R63 K64 C76S39-I43 VanDerWaalsContact CB-O 3.23Å; S39-I43 WeakPolarHBondContact CB-O 2.94Å; S39-I43 PolarHBondContact N-O 3.35Å; N41-I43 VanDerWaalsContact C-N 3.29Å; N41-I43 HydrophobicContact CB-CD1 4.22Å; N41-I43 PolarHBondContact O-N 2.82Å; I43-R63 HydrophobicContact CG2-CB 4.05Å; I43-R63 HydrophobicContact CG2-CG 4.39Å; I43-K64 CarbonylContact C-O 3.29Å; I43-K64 WeakPolarHBondContact CA-O 3.4Å; I43-C76 WeakPolarHBondContact CG1-SG 3.05Å
44S84.9Confident78.8Confident9 Ų992.7 Ų92.76%0.06351%0.506CS..EExtended strand (participates in β ladder)trans-93.7141.2166.9171.40000109E36 K64 C66E36-S44 PolarHBondContact OE1-OG 3.43Å; S44-K64 PolarHBondContact N-O 3.32Å; S44-K64 PolarHBondContact O-N 3.39Å; S44-K64 VanDerWaalsContact OG-CE 3.28Å; S44-K64 WeakPolarHBondContact OG-CE 3.1Å; S44-C66 PolarHBondContact N-SG 2.8Å
45T84.1Confident80.6Confident69 Ų6986.6 Ų86.642%0.42349%0.492SS..EExtended strand (participates in β ladder)trans-124.3103.3179.4-56.10000109.8Y61 R62 R63T45-Y61 HydrophobicContact CG2-CD1 4.11Å; T45-R62 CarbonylContact C-O 3.58Å; T45-R62 WeakPolarHBondContact CA-O 3.34Å; T45-R63 HydrophobicContact CG2-CG 4.25Å
46T85.6Confident82.5Confident54 Ų5488.2 Ų88.233%0.33148%0.482SS..EExtended strand (participates in β ladder)trans-84.6133.3178.154.60000110.5R62T46-R62 PolarHBondContact N-O 2.89Å; T46-R62 PolarHBondContact O-N 2.9Å; T46-R62 PolarHBondContact OG1-O 3.34Å
47K88.3Confident83.9Confident153 Ų15389.5 Ų89.567%0.66550%0.495SS*.EExtended strand (participates in β ladder)trans-86143.9171-56.5178.2-169.6169.10108.6C60 Y61K47-C60 WeakPolarHBondContact CA-O 3.42Å; K47-Y61 HydrophobicContact CD-CE1 4.22Å; K47-Y61 HydrophobicContact CG-CD1 4.03Å; K47-Y61 HydrophobicContact CG-CE1 3.85Å
48Y85.9Confident85.2Confident107 Ų10782 Ų8242%0.4247%0.466SS..EExtended strand (participates in β ladder)trans-150.3149.3174.967.4-78.4000111.2C50 C60 R62Y48-C50 HydrophobicContact CD2-CB 4.47Å; Y48-C50 HydrophobicContact CE2-CB 4.08Å; Y48-C60 HydrophobicContact CD1-CB 3.97Å; Y48-C60 HydrophobicContact CD2-CB 4.22Å; Y48-C60 HydrophobicContact CE1-CB 3.43Å; Y48-C60 VanDerWaalsContact CE1-CB 3.43Å; Y48-C60 HydrophobicContact CE2-CB 3.73Å; Y48-C60 HydrophobicContact CG-CB 4.34Å; Y48-C60 PolarHBondContact N-O 3.39Å; Y48-C60 PolarHBondContact O-N 3.49Å; Y48-R62 HydrophobicContact CD1-CB 4.12Å; Y48-R62 HydrophobicContact CE1-CB 3.76Å
49P90.8Very high86.1Confident104 Ų10483.8 Ų83.868%0.67548%0.476SS*.EExtended strand (participates in β ladder)trans-68.7136.4174.428.7-33.9000110.7V57 T58P49-V57 HydrophobicContact CB-CG1 4.02Å; P49-T58 CarbonylContact C-O 3.53Å; P49-T58 WeakPolarHBondContact CA-O 3.23Å
50C90.1Very high86.6Confident24 Ų2482.5 Ų82.516%0.16247%0.466CS..EExtended strand (participates in β ladder)trans-142.6146.9176.9650000110.5Y48 T58 C60Y48-C50 HydrophobicContact CD2-CB 4.47Å; Y48-C50 HydrophobicContact CE2-CB 4.08Å; C50-T58 PolarHBondContact N-O 2.67Å; C50-T58 PolarHBondContact O-N 3.06Å; C50-T58 PolarHBondContact O-OG1 3.34Å; C50-C60 HydrophobicContact CB-CB 3.67Å; C50-C60 WeakPolarHBondContact CB-SG 3.48Å; C50-C60 WeakPolarHBondContact SG-CB 3.3Å; C50-C60 PolarHBondContact SG-N 2.77Å; C50-C60 VanDerWaalsContact SG-N 3.37Å; C50-C60 CovalentContact SG-SG 2.03Å; C50-C60 PolarHBondContact SG-SG 2.04Å
51V93.1Very high87.3Confident89 Ų8980.4 Ų80.454%0.53945%0.451SS..EExtended strand (participates in β ladder)trans-97.8128.9-176.4-165.70000109.6G55 E56 V57V51-G55 WeakPolarHBondContact CG1-O 3.05Å; V51-E56 WeakPolarHBondContact CA-O 3.32Å; V51-V57 HydrophobicContact CG2-CG2 4.45Å
52K86.4Confident87.7Confident98 Ų9883.3 Ų83.343%0.42645%0.454SS..  trans-69.9165.3170.6-75.7167.9169.9164.20111T54 G55 E56 T58K52-T54 WeakPolarHBondContact CB-OG1 3.41Å; K52-T54 PolarHBondContact O-N 3.06Å; K52-G55 PolarHBondContact O-N 3.45Å; K52-E56 HydrophobicContact CB-CB 4.41Å; K52-E56 HydrophobicContact CD-CB 3.95Å; K52-E56 VanDerWaalsContact CD-OE2 3.27Å; K52-E56 WeakPolarHBondContact CD-OE2 3.41Å; K52-E56 PolarHBondContact N-O 2.95Å; K52-E56 IonicContact NZ-OE2 2.75Å; K52-E56 PolarHBondContact NZ-OE2 2.85Å; K52-T58 HydrophobicContact CD-CG2 3.97Å; K52-T58 HydrophobicContact CG-CG2 4.4Å
53S87.8Confident87.9Confident134 Ų13488.8 Ų88.894%0.93747%0.47SS*.THydrogen-bonded Turntrans-57-17.4167.949.30000114.4
54T86.8Confident88Confident94 Ų9492 Ų9258%0.57748%0.484SS*.THydrogen-bonded Turntrans-85-3.117454.80000114.4K52 E56K52-T54 WeakPolarHBondContact CB-OG1 3.41Å; K52-T54 PolarHBondContact O-N 3.06Å; T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 PolarHBondContact O-N 2.87Å
55G86.3Confident88.2Confident54 Ų5492.5 Ų92.556%0.55749%0.487SS*.SBendtrans82.9-5.5-173.900000114.8V51 K52V51-G55 WeakPolarHBondContact CG1-O 3.05Å; K52-G55 PolarHBondContact O-N 3.45Å
56E90.9Very high88.3Confident99 Ų9989.9 Ų89.946%0.46347%0.471SS..  trans-68.2130.1174.4-71.9169.8-159.600111.9V51 K52 T54V51-E56 WeakPolarHBondContact CA-O 3.32Å; K52-E56 HydrophobicContact CB-CB 4.41Å; K52-E56 HydrophobicContact CD-CB 3.95Å; K52-E56 VanDerWaalsContact CD-OE2 3.27Å; K52-E56 WeakPolarHBondContact CD-OE2 3.41Å; K52-E56 PolarHBondContact N-O 2.95Å; K52-E56 IonicContact NZ-OE2 2.75Å; K52-E56 PolarHBondContact NZ-OE2 2.85Å; T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 PolarHBondContact O-N 2.87Å
57V90Very high88.3Confident99 Ų9995.8 Ų95.860%0.649%0.492SS*.EExtended strand (participates in β ladder)trans-78.2129.9168.1-175.40000109.5P49 V51P49-V57 HydrophobicContact CB-CG1 4.02Å; V51-V57 HydrophobicContact CG2-CG2 4.45Å
58T91.9Very high88Confident47 Ų4790 Ų9029%0.28848%0.476SS..EExtended strand (participates in β ladder)trans-140.4170.8178.154.90000111.4P49 C50 K52P49-T58 CarbonylContact C-O 3.53Å; P49-T58 WeakPolarHBondContact CA-O 3.23Å; C50-T58 PolarHBondContact N-O 2.67Å; C50-T58 PolarHBondContact O-N 3.06Å; C50-T58 PolarHBondContact O-OG1 3.34Å; K52-T58 HydrophobicContact CD-CG2 3.97Å; K52-T58 HydrophobicContact CG-CG2 4.4Å
59T92.2Very high88Confident89 Ų8987.4 Ų87.455%0.54647%0.467SS..EExtended strand (participates in β ladder)trans-91.8111.418043.30000111.7Y61T59-Y61 WeakPolarHBondContact O-CE2 3.23Å
60C87.9Confident87.7Confident39 Ų3985.2 Ų85.226%0.26445%0.447SS..EExtended strand (participates in β ladder)trans-87.8161.9167.4-78.30000111.2K47 Y48 C50K47-C60 WeakPolarHBondContact CA-O 3.42Å; Y48-C60 HydrophobicContact CD1-CB 3.97Å; Y48-C60 HydrophobicContact CD2-CB 4.22Å; Y48-C60 HydrophobicContact CE1-CB 3.43Å; Y48-C60 VanDerWaalsContact CE1-CB 3.43Å; Y48-C60 HydrophobicContact CE2-CB 3.73Å; Y48-C60 HydrophobicContact CG-CB 4.34Å; Y48-C60 PolarHBondContact N-O 3.39Å; Y48-C60 PolarHBondContact O-N 3.49Å; C50-C60 HydrophobicContact CB-CB 3.67Å; C50-C60 WeakPolarHBondContact CB-SG 3.48Å; C50-C60 WeakPolarHBondContact SG-CB 3.3Å; C50-C60 PolarHBondContact SG-N 2.77Å; C50-C60 VanDerWaalsContact SG-N 3.37Å; C50-C60 CovalentContact SG-SG 2.03Å; C50-C60 PolarHBondContact SG-SG 2.04Å
61Y87.2Confident87.4Confident142 Ų14290.7 Ų90.756%0.55747%0.468SS*.EExtended strand (participates in β ladder)trans-125.2123.1-178-62.1-97.2000109.4T45 K47 T59T45-Y61 HydrophobicContact CG2-CD1 4.11Å; K47-Y61 HydrophobicContact CD-CE1 4.22Å; K47-Y61 HydrophobicContact CG-CD1 4.03Å; K47-Y61 HydrophobicContact CG-CE1 3.85Å; T59-Y61 WeakPolarHBondContact O-CE2 3.23Å
62R85.4Confident86.8Confident173 Ų17387 Ų8765%0.65345%0.446SS*.EExtended strand (participates in β ladder)trans-110122.4174.3-177.3174.1-177.7177.10.4109.2T45 T46 Y48T45-R62 CarbonylContact C-O 3.58Å; T45-R62 WeakPolarHBondContact CA-O 3.34Å; T46-R62 PolarHBondContact N-O 2.89Å; T46-R62 PolarHBondContact O-N 2.9Å; T46-R62 PolarHBondContact OG1-O 3.34Å; Y48-R62 HydrophobicContact CD1-CB 4.12Å; Y48-R62 HydrophobicContact CE1-CB 3.76Å
63R86.6Confident86Confident171 Ų17190.4 Ų90.465%0.64547%0.465SS*.EExtended strand (participates in β ladder)trans-87.6137.8173.2-60.4175.677.5-168.34.2109.1I43 T45I43-R63 HydrophobicContact CG2-CB 4.05Å; I43-R63 HydrophobicContact CG2-CG 4.39Å; T45-R63 HydrophobicContact CG2-CG 4.25Å
64K86.2Confident85.5Confident85 Ų8586.4 Ų86.437%0.3745%0.446SS..EExtended strand (participates in β ladder)trans-140155.9171.661.4174.8-173.4170.40108.8E36 I43 S44E36-K64 WeakPolarHBondContact OE1-CE 3.03Å; E36-K64 IonicContact OE1-NZ 3.5Å; E36-K64 PolarHBondContact OE1-NZ 3.43Å; E36-K64 IonicContact OE2-NZ 3.19Å; I43-K64 CarbonylContact C-O 3.29Å; I43-K64 WeakPolarHBondContact CA-O 3.4Å; S44-K64 PolarHBondContact N-O 3.32Å; S44-K64 PolarHBondContact O-N 3.39Å; S44-K64 VanDerWaalsContact OG-CE 3.28Å; S44-K64 WeakPolarHBondContact OG-CE 3.1Å
65C88Confident85.3Confident19 Ų1988.6 Ų88.613%0.12845%0.449CS..EExtended strand (participates in β ladder)trans-68.2155.2166.2-62.90000110.2N42 F69 F71 C76N42-C65 WeakPolarHBondContact O-CA 3.28Å; C65-F69 HydrophobicContact CB-CB 3.84Å; C65-F69 WeakPolarHBondContact CB-O 3.45Å; C65-F71 WeakPolarHBondContact SG-CA 3.48Å; C65-F71 VanDerWaalsContact SG-CB 3.56Å; C65-C76 WeakPolarHBondContact CA-SG 3.42Å; C65-C76 HydrophobicContact CB-CB 3.81Å; C65-C76 WeakPolarHBondContact CB-SG 3.46Å; C65-C76 VanDerWaalsContact SG-CA 3.54Å; C65-C76 WeakPolarHBondContact SG-CB 3.37Å; C65-C76 CovalentContact SG-SG 2.04Å; C65-C76 PolarHBondContact SG-SG 3.07Å
66C87.8Confident85.3Confident14 Ų1486.7 Ų86.710%0.09543%0.428CS..PPolyproline II helixtrans-71.7163.6174.4-58.30000111.1C38 N42 S44 G68 F69C38-C66 VanDerWaalsContact CA-SG 3.57Å; C38-C66 HydrophobicContact CB-CB 4.1Å; C38-C66 WeakPolarHBondContact CB-SG 3.24Å; C38-C66 WeakPolarHBondContact SG-CB 3.39Å; C38-C66 CovalentContact SG-SG 2.03Å; C38-C66 PolarHBondContact SG-SG 3.09Å; N42-C66 VanDerWaalsContact C-SG 3.5Å; N42-C66 PolarHBondContact O-N 3.07Å; N42-C66 PolarHBondContact O-SG 3.06Å; N42-C66 VanDerWaalsContact O-SG 3.41Å; S44-C66 PolarHBondContact N-SG 2.8Å; C66-G68 PolarHBondContact O-N 3.26Å; C66-F69 HydrophobicContact CB-CD2 4.36Å; C66-F69 WeakPolarHBondContact O-CB 3.42Å; C66-F69 PolarHBondContact O-N 2.88Å
67K84.3Confident84.9Confident178 Ų17883.5 Ų83.577%0.77441%0.413SS*.THydrogen-bonded Turntrans-55.9133.3177.9-66.1171.8179.7166.60109.9E36E36-K67 VanDerWaalsContact OE2-CE 3.24Å; E36-K67 WeakPolarHBondContact OE2-CE 3.26Å; E36-K67 IonicContact OE2-NZ 3.59Å
68G82.7Confident84.7Confident32 Ų3280.6 Ų80.633%0.3340%0.397SS..THydrogen-bonded Turntrans87.75.8-173.100000115.1C66 P78 E79C66-G68 PolarHBondContact O-N 3.26Å; G68-P78 CarbonylContact O-C 3.54Å; G68-P78 VanDerWaalsContact O-CA 3.32Å; G68-P78 WeakPolarHBondContact O-CA 3.06Å; G68-E79 WeakPolarHBondContact CA-OE2 3.43Å; G68-E79 PolarHBondContact N-OE2 2.98Å; G68-E79 PolarHBondContact O-N 3.06Å
69F85.9Confident84.2Confident51 Ų5184.4 Ų84.422%0.22441%0.411CS..EExtended strand (participates in β ladder)trans-131127.6179.8-67-98.7000113.1N42 C65 C66 C76 I77 P78N42-F69 HydrophobicContact CB-CD1 3.72Å; N42-F69 HydrophobicContact CB-CD2 4.17Å; N42-F69 HydrophobicContact CB-CE1 3.75Å; N42-F69 HydrophobicContact CB-CE2 4.19Å; N42-F69 HydrophobicContact CB-CG 3.95Å; N42-F69 HydrophobicContact CB-CZ 3.99Å; N42-F69 WeakPolarHBondContact ND2-CE1 3.47Å; N42-F69 WeakPolarHBondContact OD1-CZ 3.11Å; C65-F69 HydrophobicContact CB-CB 3.84Å; C65-F69 WeakPolarHBondContact CB-O 3.45Å; C66-F69 HydrophobicContact CB-CD2 4.36Å; C66-F69 WeakPolarHBondContact O-CB 3.42Å; C66-F69 PolarHBondContact O-N 2.88Å; F69-C76 HydrophobicContact CB-CB 4.14Å; F69-C76 HydrophobicContact CD1-CB 4.41Å; F69-I77 CarbonylContact C-O 3.53Å; F69-I77 VanDerWaalsContact CA-O 3.26Å; F69-I77 WeakPolarHBondContact CA-O 3.4Å; F69-P78 HydrophobicContact CD1-CB 4.41Å; F69-P78 HydrophobicContact CD1-CG 4.11Å; F69-P78 HydrophobicContact CE1-CB 4.32Å; F69-P78 HydrophobicContact CE1-CG 3.72Å; F69-P78 HydrophobicContact CZ-CG 4.48Å
70K84.3Confident83.6Confident58 Ų5887 Ų8725%0.25242%0.421SS..EExtended strand (participates in β ladder)trans-88137172.255.5-179.3177.1-172.20111.4V72 I77 E79 D95K70-V72 HydrophobicContact CD-CG2 4.27Å; K70-V72 HydrophobicContact CG-CG2 4.01Å; K70-I77 HydrophobicContact CG-CB 4.48Å; K70-I77 WeakPolarHBondContact CG-O 3.34Å; K70-I77 PolarHBondContact N-O 3.23Å; K70-I77 PolarHBondContact O-N 2.86Å; K70-E79 HydrophobicContact CB-CG 4.24Å; K70-D95 IonicContact NZ-OD2 2.67Å; K70-D95 PolarHBondContact NZ-OD2 3.39Å
71F83.6Confident83.3Confident140 Ų14091.6 Ų91.661%0.61443%0.434SS*.EExtended strand (participates in β ladder)trans-79.4122173.8-176.6-102.5000110.6C65C65-F71 WeakPolarHBondContact SG-CA 3.48Å; C65-F71 VanDerWaalsContact SG-CB 3.56Å
72V81.4Confident83Confident12 Ų1289.5 Ų89.57%0.07343%0.433CS..EExtended strand (participates in β ladder)trans-140.3118.3-173.81720000109.5K70 G74 Q75 I77 F97K70-V72 HydrophobicContact CD-CG2 4.27Å; K70-V72 HydrophobicContact CG-CG2 4.01Å; V72-G74 PolarHBondContact O-N 2.84Å; V72-Q75 PolarHBondContact N-O 3.47Å; V72-Q75 PolarHBondContact O-N 3.21Å; V72-I77 HydrophobicContact CB-CD1 3.77Å; V72-I77 HydrophobicContact CB-CG1 4.23Å; V72-I77 HydrophobicContact CG1-CD1 3.78Å; V72-I77 HydrophobicContact CG2-CD1 4.27Å; V72-F97 VanDerWaalsContact CG1-C 3.44Å; V72-F97 HydrophobicContact CG1-CB 4.5Å; V72-F97 WeakPolarHBondContact CG1-O 3.5Å
73M69.8Low82.9Confident168 Ų16882 Ų8283%0.82841%0.406SS*.THydrogen-bonded Turntrans4734.8170.9-59-62.4-89.500115.2
74G76.8Confident82.9Confident51 Ų5175.5 Ų75.553%0.52639%0.386SS..THydrogen-bonded Turntrans99.5-8.7179.800000115.8V72V72-G74 PolarHBondContact O-N 2.84Å
75Q81.7Confident82.8Confident139 Ų13975.4 Ų75.465%0.6540%0.402SS*.EExtended strand (participates in β ladder)trans-118.1162.5-179.5-66.6-177.5-18.700111.9V72V72-Q75 PolarHBondContact N-O 3.47Å; V72-Q75 PolarHBondContact O-N 3.21Å
76C86.5Confident82.2Confident15 Ų1578.1 Ų78.110%0.10143%0.433CS..EExtended strand (participates in β ladder)trans-105.7109.2172.2-69.30000108.7N42 I43 C65 F69N42-C76 HydrophobicContact CB-CB 3.88Å; N42-C76 PolarHBondContact O-SG 2.94Å; I43-C76 WeakPolarHBondContact CG1-SG 3.05Å; C65-C76 WeakPolarHBondContact CA-SG 3.42Å; C65-C76 HydrophobicContact CB-CB 3.81Å; C65-C76 WeakPolarHBondContact CB-SG 3.46Å; C65-C76 VanDerWaalsContact SG-CA 3.54Å; C65-C76 WeakPolarHBondContact SG-CB 3.37Å; C65-C76 CovalentContact SG-SG 2.04Å; C65-C76 PolarHBondContact SG-SG 3.07Å; F69-C76 HydrophobicContact CB-CB 4.14Å; F69-C76 HydrophobicContact CD1-CB 4.41Å
77I83.4Confident81.9Confident31 Ų3178.5 Ų78.516%0.15944%0.437CS..EExtended strand (participates in β ladder)trans-103141.9-178.8-57.9-179.1000107.8F69 K70 V72 Y81F69-I77 CarbonylContact C-O 3.53Å; F69-I77 VanDerWaalsContact CA-O 3.26Å; F69-I77 WeakPolarHBondContact CA-O 3.4Å; K70-I77 HydrophobicContact CG-CB 4.48Å; K70-I77 WeakPolarHBondContact CG-O 3.34Å; K70-I77 PolarHBondContact N-O 3.23Å; K70-I77 PolarHBondContact O-N 2.86Å; V72-I77 HydrophobicContact CB-CD1 3.77Å; V72-I77 HydrophobicContact CB-CG1 4.23Å; V72-I77 HydrophobicContact CG1-CD1 3.78Å; V72-I77 HydrophobicContact CG2-CD1 4.27Å; I77-Y81 HydrophobicContact CG2-CD1 3.84Å; I77-Y81 HydrophobicContact CG2-CG 4.01Å
78P85.1Confident81.7Confident39 Ų3974 Ų7425%0.25343%0.426SS..EExtended strand (participates in β ladder)trans-56.5146.9177.3-20.129.2000112.6G68 F69 D80 Y81G68-P78 CarbonylContact O-C 3.54Å; G68-P78 VanDerWaalsContact O-CA 3.32Å; G68-P78 WeakPolarHBondContact O-CA 3.06Å; F69-P78 HydrophobicContact CD1-CB 4.41Å; F69-P78 HydrophobicContact CD1-CG 4.11Å; F69-P78 HydrophobicContact CE1-CB 4.32Å; F69-P78 HydrophobicContact CE1-CG 3.72Å; F69-P78 HydrophobicContact CZ-CG 4.48Å; P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CB-OD1 3.32Å; P78-D80 PolarHBondContact O-N 3.49Å; P78-Y81 WeakPolarHBondContact O-CB 3.38Å; P78-Y81 PolarHBondContact O-N 3.03Å
79E80.6Confident81.8Confident127 Ų12773.7 Ų73.759%0.59342%0.418SS*.THydrogen-bonded Turntrans-69.4-28.7179.2-73.5174.3149.900112.1G68 K70G68-E79 WeakPolarHBondContact CA-OE2 3.43Å; G68-E79 PolarHBondContact N-OE2 2.98Å; G68-E79 PolarHBondContact O-N 3.06Å; K70-E79 HydrophobicContact CB-CG 4.24Å
80D80.3Confident81.9Confident142 Ų14274.5 Ų74.576%0.75942%0.423SS*.THydrogen-bonded Turntrans-89.10.1176.364.5-34.1000114.1P78 D82P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CB-OD1 3.32Å; P78-D80 PolarHBondContact O-N 3.49Å; D80-D82 PolarHBondContact O-N 2.93Å
81Y82.6Confident82.1Confident136 Ų13673.6 Ų73.653%0.53342%0.419SS..  trans-72.3101.6-179.5-174.6-96.1000111.7I77 P78 V83I77-Y81 HydrophobicContact CG2-CD1 3.84Å; I77-Y81 HydrophobicContact CG2-CG 4.01Å; P78-Y81 WeakPolarHBondContact O-CB 3.38Å; P78-Y81 PolarHBondContact O-N 3.03Å; Y81-V83 HydrophobicContact CD1-CG2 4.13Å; Y81-V83 HydrophobicContact CE1-CG2 4.42Å; Y81-V83 PolarHBondContact O-N 2.03Å; Y81-V83 VanDerWaalsContact O-N 3.09Å
82D81Confident82.3Confident98 Ų9871.1 Ų71.152%0.52441%0.41SS..  trans-70.9101172-1778000111.2D80 C84 A85D80-D82 PolarHBondContact O-N 2.93Å; D82-C84 PolarHBondContact O-N 3.32Å; D82-C84 WeakPolarHBondContact OD1-CA 3.45Å; D82-C84 WeakPolarHBondContact OD1-CB 3.2Å; D82-C84 PolarHBondContact OD1-N 2.82Å; D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 PolarHBondContact O-N 2.84Å; D82-A85 PolarHBondContact OD1-N 3.41Å; D82-A85 WeakPolarHBondContact OD2-CB 3.43Å; D82-A85 PolarHBondContact OD2-N 2.81Å
83V83.3Confident82.7Confident16 Ų1672.2 Ų72.210%0.09742%0.417CS..THydrogen-bonded Turntrans-61.6-25.3175.7-161.20000111.8Y81 D95 V100Y81-V83 HydrophobicContact CD1-CG2 4.13Å; Y81-V83 HydrophobicContact CE1-CG2 4.42Å; Y81-V83 PolarHBondContact O-N 2.03Å; Y81-V83 VanDerWaalsContact O-N 3.09Å; V83-D95 HydrophobicContact CB-CB 4.43Å; V83-D95 HydrophobicContact CG2-CB 4.05Å; V83-V100 HydrophobicContact CG1-CG2 3.6Å; V83-V100 WeakPolarHBondContact O-CG2 3.47Å
84C85.8Confident83.6Confident34 Ų3467 Ų6723%0.2340%0.395CS..THydrogen-bonded Turntrans-89.5-20.2-176.1-72.20000114.4D82 G86 A87 C93D82-C84 PolarHBondContact O-N 3.32Å; D82-C84 WeakPolarHBondContact OD1-CA 3.45Å; D82-C84 WeakPolarHBondContact OD1-CB 3.2Å; D82-C84 PolarHBondContact OD1-N 2.82Å; C84-G86 PolarHBondContact O-N 2.75Å; C84-A87 WeakPolarHBondContact O-CB 3Å; C84-A87 PolarHBondContact O-N 2.98Å; C84-C93 WeakPolarHBondContact CA-SG 3.47Å; C84-C93 HydrophobicContact CB-CB 3.77Å; C84-C93 WeakPolarHBondContact CB-SG 3.44Å; C84-C93 VanDerWaalsContact SG-C 3.53Å; C84-C93 WeakPolarHBondContact SG-CB 3.02Å; C84-C93 CovalentContact SG-SG 2.04Å; C84-C93 PolarHBondContact SG-SG 3.37Å
85A83.3Confident84.1Confident84 Ų8467.9 Ų67.969%0.69439%0.388SS*.THydrogen-bonded Turntrans-55.8-28.6-177.300000114.7D82D82-A85 HydrophobicContact CB-CB 4.08Å; D82-A85 PolarHBondContact O-N 2.84Å; D82-A85 PolarHBondContact OD1-N 3.41Å; D82-A85 WeakPolarHBondContact OD2-CB 3.43Å; D82-A85 PolarHBondContact OD2-N 2.81Å
86G76.8Confident84.1Confident76 Ų7665.3 Ų65.378%0.78438%0.376SS*.THydrogen-bonded Turntrans-113.811.1175.900000114.6C84C84-G86 PolarHBondContact O-N 2.75Å
87A80.9Confident83.8Confident22 Ų2271.6 Ų71.618%0.18240%0.401CS..  trans-75.9135-172.500000112.3C84 C89 V100C84-A87 WeakPolarHBondContact O-CB 3Å; C84-A87 PolarHBondContact O-N 2.98Å; A87-C89 PolarHBondContact O-N 2.04Å; A87-V100 HydrophobicContact CB-CG1 3.61Å; A87-V100 HydrophobicContact CB-CG2 4.02Å
88P80.7Confident83.4Confident83 Ų8371.3 Ų71.354%0.53941%0.406SS..  trans-77.822.9179.334.3-37.4000113.9
89C84.1Confident83.1Confident25 Ų2577.8 Ų77.817%0.16943%0.426CS..  trans-67.1158.4178.6-53.20000111.6A87 C93 C102A87-C89 PolarHBondContact O-N 2.04Å; C89-C93 HydrophobicContact CB-CB 4.13Å; C89-C102 WeakPolarHBondContact CA-SG 3.02Å; C89-C102 HydrophobicContact CB-CB 3.71Å; C89-C102 WeakPolarHBondContact CB-SG 3.04Å; C89-C102 WeakPolarHBondContact SG-CA 3.31Å; C89-C102 WeakPolarHBondContact SG-CB 3.5Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.69Å
90E87.4Confident83.3Confident69 Ų6974.3 Ų74.332%0.32241%0.413SS..SBendtrans-105.3-43.1-178.8-178.5165.9-122.700113.9P121 Y122 C123E90-P121 VanDerWaalsContact OE1-CA 3.25Å; E90-P121 WeakPolarHBondContact OE1-CA 3.5Å; E90-P121 WeakPolarHBondContact OE1-CB 3.3Å; E90-P121 WeakPolarHBondContact OE2-CA 3Å; E90-P121 WeakPolarHBondContact OE2-CB 3.09Å; E90-Y122 HydrophobicContact CB-CD2 4.34Å; E90-Y122 PolarHBondContact OE2-N 3.33Å; E90-C123 PolarHBondContact OE2-N 2.84Å
91Q88.6Confident83.6Confident38 Ų3869.6 Ų69.618%0.17839%0.389CS..SBendtrans-114.3-61.6-176.3-72.2-175.9-19.400111.8C104 Y105 Y108 C123Q91-C104 VanDerWaalsContact OE1-CB 3.31Å; Q91-Y105 HydrophobicContact CB-CD1 4.47Å; Q91-Y105 HydrophobicContact CB-CD2 3.82Å; Q91-Y105 HydrophobicContact CB-CE1 4.34Å; Q91-Y105 HydrophobicContact CB-CE2 3.69Å; Q91-Y105 HydrophobicContact CB-CG 4.21Å; Q91-Y105 HydrophobicContact CG-CD2 3.81Å; Q91-Y105 HydrophobicContact CG-CE2 3.83Å; Q91-Y105 PolarHBondContact O-OH 2.89Å; Q91-Y108 VanDerWaalsContact NE2-CD1 3.28Å; Q91-C123 VanDerWaalsContact CD-CB 3.41Å; Q91-C123 HydrophobicContact CG-CB 3.99Å; Q91-C123 PolarHBondContact OE1-SG 2.87Å
92Q89.2Confident83.9Confident89 Ų8964.7 Ų64.742%0.41638%0.375SS..EExtended strand (participates in β ladder)trans-128144.6-178.7-175.717757.500111.1T94 C102 T103 Y105Q92-T94 HydrophobicContact CG-CG2 4.48Å; Q92-C102 WeakPolarHBondContact O-CA 3.38Å; Q92-T103 WeakPolarHBondContact CB-OG1 3.34Å; Q92-T103 VanDerWaalsContact CG-OG1 3.3Å; Q92-T103 WeakPolarHBondContact CG-OG1 3.39Å; Q92-T103 PolarHBondContact N-O 2.96Å; Q92-T103 PolarHBondContact O-N 2.98Å; Q92-T103 PolarHBondContact OE1-OG1 3.17Å; Q92-Y105 HydrophobicContact CB-CE1 4.27Å
93C90.1Very high84.3Confident34 Ų3462.3 Ų62.323%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-127.4143.7172.1179.50000108.8C84 C89C84-C93 WeakPolarHBondContact CA-SG 3.47Å; C84-C93 HydrophobicContact CB-CB 3.77Å; C84-C93 WeakPolarHBondContact CB-SG 3.44Å; C84-C93 VanDerWaalsContact SG-C 3.53Å; C84-C93 WeakPolarHBondContact SG-CB 3.02Å; C84-C93 CovalentContact SG-SG 2.04Å; C84-C93 PolarHBondContact SG-SG 3.37Å; C89-C93 HydrophobicContact CB-CB 4.13Å
94T87.9Confident84.7Confident58 Ų5862.7 Ų62.736%0.35637%0.366SS..EExtended strand (participates in β ladder)trans-138.5140.9176.651.50000110.5Q92 V101Q92-T94 HydrophobicContact CG-CG2 4.48Å; T94-V101 PolarHBondContact N-O 3.48Å; T94-V101 PolarHBondContact O-N 2.86Å; T94-V101 PolarHBondContact OG1-O 3.28Å; T94-V101 VanDerWaalsContact OG1-O 3.06Å
95D86.3Confident85Confident70 Ų7067 Ų6737%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-81.9108.3169.6176.314000109.3K70 V83 F97 G98K70-D95 IonicContact NZ-OD2 2.67Å; K70-D95 PolarHBondContact NZ-OD2 3.39Å; V83-D95 HydrophobicContact CB-CB 4.43Å; V83-D95 HydrophobicContact CG2-CB 4.05Å; D95-F97 PolarHBondContact OD1-N 2.82Å; D95-G98 VanDerWaalsContact OD1-CA 3.3Å; D95-G98 WeakPolarHBondContact OD1-CA 3.33Å; D95-G98 PolarHBondContact OD1-N 3.31Å
96H83.1Confident85.4Confident85 Ų8570.9 Ų70.939%0.39439%0.387SS..EExtended strand (participates in β ladder)trans-107.284169.9-175.1-77.9000109.9R99 V101H96-R99 PolarHBondContact N-O 3.4Å; H96-R99 WeakPolarHBondContact O-CB 3.48Å; H96-R99 PolarHBondContact O-N 3.42Å; H96-V101 HydrophobicContact CB-CG2 3.67Å
97F80.4Confident86Confident147 Ų14768 Ų6865%0.64536%0.357SS*.THydrogen-bonded Turntrans51.964.5-176.9-60.2-91.3000112.2V72 D95 R99V72-F97 VanDerWaalsContact CG1-C 3.44Å; V72-F97 HydrophobicContact CG1-CB 4.5Å; V72-F97 WeakPolarHBondContact CG1-O 3.5Å; D95-F97 PolarHBondContact OD1-N 2.82Å; F97-R99 PolarHBondContact O-N 2.92Å; F97-R99 VanDerWaalsContact O-N 3.16Å
98G74.2Confident86.6Confident25 Ų2569.7 Ų69.726%0.25836%0.359SS..THydrogen-bonded Turntrans68.43.2-179.900000115.4D95D95-G98 VanDerWaalsContact OD1-CA 3.3Å; D95-G98 WeakPolarHBondContact OD1-CA 3.33Å; D95-G98 PolarHBondContact OD1-N 3.31Å
99R79.3Confident87.1Confident176 Ų17672.9 Ų72.966%0.66436%0.361SS*.EExtended strand (participates in β ladder)trans-100.3128.1173.5-179.3177.9-71.8-154.71.7109.9H96 F97 V101H96-R99 PolarHBondContact N-O 3.4Å; H96-R99 WeakPolarHBondContact O-CB 3.48Å; H96-R99 PolarHBondContact O-N 3.42Å; F97-R99 PolarHBondContact O-N 2.92Å; F97-R99 VanDerWaalsContact O-N 3.16Å; R99-V101 HydrophobicContact CG-CG2 4.38Å; R99-V101 PolarHBondContact O-N 3.06Å
100V84.4Confident87.4Confident53 Ų5376.6 Ų76.632%0.32137%0.372SS..EExtended strand (participates in β ladder)trans-59.9117.1163.3176.20000109.1V83 A87V83-V100 HydrophobicContact CG1-CG2 3.6Å; V83-V100 WeakPolarHBondContact O-CG2 3.47Å; A87-V100 HydrophobicContact CB-CG1 3.61Å; A87-V100 HydrophobicContact CB-CG2 4.02Å
101V86.8Confident87.6Confident44 Ų4475 Ų7527%0.26737%0.365SS..EExtended strand (participates in β ladder)trans-114.3108.2166.2179.30000107.9T94 H96 R99 T103T94-V101 PolarHBondContact N-O 3.48Å; T94-V101 PolarHBondContact O-N 2.86Å; T94-V101 PolarHBondContact OG1-O 3.28Å; T94-V101 VanDerWaalsContact OG1-O 3.06Å; H96-V101 HydrophobicContact CB-CG2 3.67Å; R99-V101 HydrophobicContact CG-CG2 4.38Å; R99-V101 PolarHBondContact O-N 3.06Å; V101-T103 HydrophobicContact CG1-CG2 4.36Å
102C87.6Confident87.6Confident33 Ų3382.9 Ų82.922%0.22339%0.393CS..EExtended strand (participates in β ladder)trans-81133.7172.5-57.10000110.1C89 Q92C89-C102 WeakPolarHBondContact CA-SG 3.02Å; C89-C102 HydrophobicContact CB-CB 3.71Å; C89-C102 WeakPolarHBondContact CB-SG 3.04Å; C89-C102 WeakPolarHBondContact SG-CA 3.31Å; C89-C102 WeakPolarHBondContact SG-CB 3.5Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.69Å; Q92-C102 WeakPolarHBondContact O-CA 3.38Å
103T89.3Confident87.6Confident48 Ų4885.7 Ų85.729%0.29441%0.407SS..EExtended strand (participates in β ladder)trans-130.3161.3176.143.60000110.5Q92 V101Q92-T103 WeakPolarHBondContact CB-OG1 3.34Å; Q92-T103 VanDerWaalsContact CG-OG1 3.3Å; Q92-T103 WeakPolarHBondContact CG-OG1 3.39Å; Q92-T103 PolarHBondContact N-O 2.96Å; Q92-T103 PolarHBondContact O-N 2.98Å; Q92-T103 PolarHBondContact OE1-OG1 3.17Å; V101-T103 HydrophobicContact CG1-CG2 4.36Å
104C92.6Very high87.6Confident23 Ų2388.4 Ų88.416%0.15541%0.412CS..PPolyproline II helixtrans-100.8159.3172-56.30000110.2Q91 C123Q91-C104 VanDerWaalsContact OE1-CB 3.31Å; C104-C123 WeakPolarHBondContact CA-SG 3.41Å; C104-C123 HydrophobicContact CB-CB 3.77Å; C104-C123 WeakPolarHBondContact CB-SG 3.27Å; C104-C123 WeakPolarHBondContact SG-CA 3.4Å; C104-C123 WeakPolarHBondContact SG-CB 3.38Å; C104-C123 CovalentContact SG-SG 2.04Å; C104-C123 PolarHBondContact SG-SG 3.41Å
105Y93.1Very high87.4Confident125 Ų12588.5 Ų88.549%0.4941%0.408SS..PPolyproline II helixtrans-69.4165.8172.1-59.7-47.7000111.4Q91 Q92 Y108Q91-Y105 HydrophobicContact CB-CD1 4.47Å; Q91-Y105 HydrophobicContact CB-CD2 3.82Å; Q91-Y105 HydrophobicContact CB-CE1 4.34Å; Q91-Y105 HydrophobicContact CB-CE2 3.69Å; Q91-Y105 HydrophobicContact CB-CG 4.21Å; Q91-Y105 HydrophobicContact CG-CD2 3.81Å; Q91-Y105 HydrophobicContact CG-CE2 3.83Å; Q91-Y105 PolarHBondContact O-OH 2.89Å; Q92-Y105 HydrophobicContact CB-CE1 4.27Å; Y105-Y108 WeakPolarHBondContact O-CB 3.47Å; Y105-Y108 PolarHBondContact O-N 2.62Å; Y105-Y108 VanDerWaalsContact O-N 3.08Å
106L90.8Very high87.5Confident166 Ų16695.1 Ų95.187%0.86943%0.428SS*.THydrogen-bonded Turntrans-57.9143.3170.2-58.4176.5000109.9Y108L106-Y108 VanDerWaalsContact C-N 3.26Å; L106-Y108 WeakPolarHBondContact O-CD2 3.06Å; L106-Y108 PolarHBondContact O-N 3.46Å
107G89.6Confident87.8Confident15 Ų1595.5 Ų95.516%0.15543%0.433CS..THydrogen-bonded Turntrans78.6-0.2-170.800000115I126G107-I126 WeakPolarHBondContact O-CB 3.47Å; G107-I126 WeakPolarHBondContact O-CG1 3.34Å; G107-I126 PolarHBondContact O-N 2.89Å
108Y93.6Very high88.1Confident57 Ų5798.7 Ų98.722%0.22444%0.441CS..EExtended strand (participates in β ladder)trans-119.2144.4174.5-63.5-97.4000111.9Q91 Y105 L106 C123 L124 A145 G146Q91-Y108 VanDerWaalsContact NE2-CD1 3.28Å; Y105-Y108 WeakPolarHBondContact O-CB 3.47Å; Y105-Y108 PolarHBondContact O-N 2.62Å; Y105-Y108 VanDerWaalsContact O-N 3.08Å; L106-Y108 VanDerWaalsContact C-N 3.26Å; L106-Y108 WeakPolarHBondContact O-CD2 3.06Å; L106-Y108 PolarHBondContact O-N 3.46Å; Y108-C123 HydrophobicContact CD1-CB 4.44Å; Y108-L124 CarbonylContact C-O 3.59Å; Y108-L124 VanDerWaalsContact CA-O 3.28Å; Y108-L124 WeakPolarHBondContact CA-O 3.3Å; Y108-A145 WeakPolarHBondContact OH-CB 3.03Å; Y108-A145 PolarHBondContact OH-O 2.87Å; Y108-A145 VanDerWaalsContact OH-O 3.13Å; Y108-G146 PolarHBondContact OH-N 3.03Å
109R90.5Very high88.8Confident151 Ų151102.6 Ų102.657%0.5745%0.452SS*.EExtended strand (participates in β ladder)trans-112.7143.417555.9178.3172.8141.4-2.2110.8L124 D125 I126R109-L124 HydrophobicContact CG-CB 4.17Å; R109-L124 WeakPolarHBondContact CG-O 3.34Å; R109-L124 PolarHBondContact N-O 3.12Å; R109-L124 PolarHBondContact O-N 2.92Å; R109-D125 PolarHBondContact NE-O 2.81Å; R109-I126 HydrophobicContact CB-CD1 4.15Å; R109-I126 HydrophobicContact CB-CG1 3.86Å; R109-I126 HydrophobicContact CG-CG1 3.84Å
110Y91.2Very high89.1Confident103 Ų103100.4 Ų100.440%0.40445%0.447SS..EExtended strand (participates in β ladder)trans-87119.1-177.5-178.7-102000112.3R112 H115Y110-R112 HydrophobicContact CD1-CB 4.49Å; Y110-R112 HydrophobicContact CE1-CB 4.25Å; Y110-R112 PolarHBondContact O-N 3Å; Y110-H115 HydrophobicContact CE2-CB 4.43Å; Y110-H115 AromaticContact CZ-CG 3.98Å; Y110-H115 WeakPolarHBondContact OH-CB 3.36Å; Y110-H115 PolarHBondContact OH-CD2 2.91Å; Y110-H115 PolarHBondContact OH-ND1 3.06Å
111D91.3Very high89.3Confident35 Ų35100.8 Ų100.819%0.18745%0.451CS..  trans-89.499.6175.9-171.2-30.4000110.8E113 R114 H115 Y122 L124D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.96Å; D111-E113 PolarHBondContact OD1-N 3.34Å; D111-R114 HydrophobicContact CB-CB 4Å; D111-R114 HydrophobicContact CB-CG 4.23Å; D111-R114 PolarHBondContact OD1-N 3.02Å; D111-R114 WeakPolarHBondContact OD2-CD 3.38Å; D111-R114 WeakPolarHBondContact OD2-CG 3.45Å; D111-R114 IonicContact OD2-CZ 2.75Å; D111-R114 IonicContact OD2-NE 2.62Å; D111-R114 PolarHBondContact OD2-NE 2.9Å; D111-H115 PolarHBondContact O-N 2.72Å; D111-H115 VanDerWaalsContact O-N 3.11Å; D111-Y122 WeakPolarHBondContact CB-O 3.32Å; D111-Y122 PolarHBondContact N-O 3.14Å; D111-L124 HydrophobicContact CB-CD1 4.01Å; D111-L124 HydrophobicContact CB-CG 4.06Å; D111-L124 WeakPolarHBondContact OD2-CD1 3.31Å
112R87.9Confident89.4Confident203 Ų20399.6 Ų99.677%0.76644%0.442SS*.Hα-helixtrans-65.8-28.1179.4-173.9177.9-179.1173.62.9112.9Y110 R116Y110-R112 HydrophobicContact CD1-CB 4.49Å; Y110-R112 HydrophobicContact CE1-CB 4.25Å; Y110-R112 PolarHBondContact O-N 3Å; R112-R116 WeakPolarHBondContact O-CB 3.25Å; R112-R116 PolarHBondContact O-N 3.39Å; R112-R116 VanDerWaalsContact O-N 3.12Å
113E89.4Confident89.6Confident148 Ų14898.4 Ų98.469%0.69243%0.434SS*.Hα-helixtrans-77.4-46-178-59.3-162.7155.600110.3D111 H115 R116 N117D111-E113 VanDerWaalsContact C-N 3.28Å; D111-E113 PolarHBondContact O-N 2.96Å; D111-E113 PolarHBondContact OD1-N 3.34Å; E113-H115 PolarHBondContact O-N 3.37Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.11Å; E113-N117 VanDerWaalsContact O-CG 3.26Å; E113-N117 PolarHBondContact O-N 3.44Å; E113-N117 PolarHBondContact O-OD1 3.16Å
114R89.7Confident89.8Confident92 Ų9297.5 Ų97.535%0.34743%0.427SS..Hα-helixtrans-56.8-46.1170.3-79.7-177.6-152.5-107.8-3113.2D111 R116 N117 R118 E119 P121 Y122D111-R114 HydrophobicContact CB-CB 4Å; D111-R114 HydrophobicContact CB-CG 4.23Å; D111-R114 PolarHBondContact OD1-N 3.02Å; D111-R114 WeakPolarHBondContact OD2-CD 3.38Å; D111-R114 WeakPolarHBondContact OD2-CG 3.45Å; D111-R114 IonicContact OD2-CZ 2.75Å; D111-R114 IonicContact OD2-NE 2.62Å; D111-R114 PolarHBondContact OD2-NE 2.9Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.94Å; R114-N117 CarbonylContact O-C 3.44Å; R114-N117 PolarHBondContact O-N 2.04Å; R114-N117 VanDerWaalsContact O-N 3.14Å; R114-R118 WeakPolarHBondContact O-CA 3.45Å; R114-R118 PolarHBondContact O-N 3.25Å; R114-E119 HydrophobicContact CB-CB 4.43Å; R114-E119 VanDerWaalsContact CB-O 3.32Å; R114-E119 WeakPolarHBondContact CB-O 3.01Å; R114-E119 HydrophobicContact CG-CB 4.27Å; R114-E119 PolarHBondContact O-N 2.96Å; R114-P121 WeakPolarHBondContact CD-O 3.41Å; R114-Y122 HydrophobicContact CB-CD1 4.15Å
115H85.3Confident89.9Confident60 Ų6098.7 Ų98.728%0.27843%0.432SS..Hα-helixtrans-61.8-39.3177.2-176.8-86.1000111.9Y110 D111 E113 N117 R118 Y122Y110-H115 HydrophobicContact CE2-CB 4.43Å; Y110-H115 AromaticContact CZ-CG 3.98Å; Y110-H115 WeakPolarHBondContact OH-CB 3.36Å; Y110-H115 PolarHBondContact OH-CD2 2.91Å; Y110-H115 PolarHBondContact OH-ND1 3.06Å; D111-H115 PolarHBondContact O-N 2.72Å; D111-H115 VanDerWaalsContact O-N 3.11Å; E113-H115 PolarHBondContact O-N 3.37Å; H115-N117 VanDerWaalsContact C-N 3.35Å; H115-R118 PolarHBondContact O-N 3.33Å; H115-Y122 HydrophobicContact CB-CD1 4.17Å; H115-Y122 HydrophobicContact CB-CG 4.19Å; H115-Y122 AromaticContact CD2-CD2 3.69Å; H115-Y122 AromaticContact CD2-CE2 3.76Å
116R86.7Confident89.8Confident209 Ų20995.8 Ų95.879%0.78942%0.424SS*.Hα-helixtrans-62.8-39.7173.4172.9-177.7172.8-173-2.4112.1R112 E113 R114R112-R116 WeakPolarHBondContact O-CB 3.25Å; R112-R116 PolarHBondContact O-N 3.39Å; R112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 WeakPolarHBondContact O-CB 3.49Å; E113-R116 PolarHBondContact O-N 3.11Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.94Å
117N89.9Confident89.8Confident93 Ų9391.3 Ų91.350%0.49740%0.401SS..Hα-helixtrans-82.4-11.8-179.6-63.5-7.8000113.8E113 R114 H115 E119E113-N117 VanDerWaalsContact O-CG 3.26Å; E113-N117 PolarHBondContact O-N 3.44Å; E113-N117 PolarHBondContact O-OD1 3.16Å; R114-N117 CarbonylContact O-C 3.44Å; R114-N117 PolarHBondContact O-N 2.04Å; R114-N117 VanDerWaalsContact O-N 3.14Å; H115-N117 VanDerWaalsContact C-N 3.35Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 HydrophobicContact CB-CB 4.45Å; N117-E119 HydrophobicContact CB-CG 3.8Å; N117-E119 WeakPolarHBondContact CB-OE2 3.46Å; N117-E119 PolarHBondContact ND2-OE2 2.83Å
118R86.1Confident89.9Confident213 Ų21392.3 Ų92.380%0.80440%0.402SS*.THydrogen-bonded Turntrans6626.3-170.7-50.1179178.2-174.3-2.1114.4R114 H115R114-R118 WeakPolarHBondContact O-CA 3.45Å; R114-R118 PolarHBondContact O-N 3.25Å; H115-R118 PolarHBondContact O-N 3.33Å
119E88.8Confident89.7Confident108 Ų10891.7 Ų91.751%0.50541%0.405SS..  trans-90.798.8179.6-66.117710700111.2R114 N117 Y122R114-E119 HydrophobicContact CB-CB 4.43Å; R114-E119 VanDerWaalsContact CB-O 3.32Å; R114-E119 WeakPolarHBondContact CB-O 3.01Å; R114-E119 HydrophobicContact CG-CB 4.27Å; R114-E119 PolarHBondContact O-N 2.96Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 HydrophobicContact CB-CB 4.45Å; N117-E119 HydrophobicContact CB-CG 3.8Å; N117-E119 WeakPolarHBondContact CB-OE2 3.46Å; N117-E119 PolarHBondContact ND2-OE2 2.83Å; E119-Y122 WeakPolarHBondContact O-CD1 3.12Å
120K85.8Confident89.6Confident129 Ų12987.3 Ų87.356%0.56140%0.402SS*.SBendtrans-74.4149.9176.3-67.9-165.8175.5-162.40112.2Y122K120-Y122 HydrophobicContact CG-CD1 4.3Å; K120-Y122 HydrophobicContact CG-CE1 3.78Å; K120-Y122 HydrophobicContact CG-CE2 4.08Å
121P89.2Confident89Confident61 Ų6187.8 Ų87.840%0.39641%0.411SS..  cis-77147.8-3.431.1-34.9000113.3E90 R114 L124E90-P121 VanDerWaalsContact OE1-CA 3.25Å; E90-P121 WeakPolarHBondContact OE1-CA 3.5Å; E90-P121 WeakPolarHBondContact OE1-CB 3.3Å; E90-P121 WeakPolarHBondContact OE2-CA 3Å; E90-P121 WeakPolarHBondContact OE2-CB 3.09Å; R114-P121 WeakPolarHBondContact CD-O 3.41Å; P121-L124 HydrophobicContact CG-CD2 4.08Å
122Y88.8Confident87.7Confident19 Ų1995.6 Ų95.68%0.07544%0.444CS..  trans-89.8-33174-48.3-39.4000111.8E90 D111 R114 H115 E119 K120 L124E90-Y122 HydrophobicContact CB-CD2 4.34Å; E90-Y122 PolarHBondContact OE2-N 3.33Å; D111-Y122 WeakPolarHBondContact CB-O 3.32Å; D111-Y122 PolarHBondContact N-O 3.14Å; R114-Y122 HydrophobicContact CB-CD1 4.15Å; H115-Y122 HydrophobicContact CB-CD1 4.17Å; H115-Y122 HydrophobicContact CB-CG 4.19Å; H115-Y122 AromaticContact CD2-CD2 3.69Å; H115-Y122 AromaticContact CD2-CE2 3.76Å; E119-Y122 WeakPolarHBondContact O-CD1 3.12Å; K120-Y122 HydrophobicContact CG-CD1 4.3Å; K120-Y122 HydrophobicContact CG-CE1 3.78Å; K120-Y122 HydrophobicContact CG-CE2 4.08Å; Y122-L124 PolarHBondContact O-N 3.17Å
123C93.2Very high86.5Confident9 Ų994.1 Ų94.16%0.06145%0.451CS..EExtended strand (participates in β ladder)trans-89.5101.6172.6-69.90000108.8E90 Q91 C104 Y108E90-C123 PolarHBondContact OE2-N 2.84Å; Q91-C123 VanDerWaalsContact CD-CB 3.41Å; Q91-C123 HydrophobicContact CG-CB 3.99Å; Q91-C123 PolarHBondContact OE1-SG 2.87Å; C104-C123 WeakPolarHBondContact CA-SG 3.41Å; C104-C123 HydrophobicContact CB-CB 3.77Å; C104-C123 WeakPolarHBondContact CB-SG 3.27Å; C104-C123 WeakPolarHBondContact SG-CA 3.4Å; C104-C123 WeakPolarHBondContact SG-CB 3.38Å; C104-C123 CovalentContact SG-SG 2.04Å; C104-C123 PolarHBondContact SG-SG 3.41Å; Y108-C123 HydrophobicContact CD1-CB 4.44Å
124L92.4Very high85.3Confident29 Ų2993.3 Ų93.315%0.15245%0.449CS..EExtended strand (participates in β ladder)trans-88.1144.3177.9-61.1-174.6000110.8Y108 R109 D111 P121 Y122Y108-L124 CarbonylContact C-O 3.59Å; Y108-L124 VanDerWaalsContact CA-O 3.28Å; Y108-L124 WeakPolarHBondContact CA-O 3.3Å; R109-L124 HydrophobicContact CG-CB 4.17Å; R109-L124 WeakPolarHBondContact CG-O 3.34Å; R109-L124 PolarHBondContact N-O 3.12Å; R109-L124 PolarHBondContact O-N 2.92Å; D111-L124 HydrophobicContact CB-CD1 4.01Å; D111-L124 HydrophobicContact CB-CG 4.06Å; D111-L124 WeakPolarHBondContact OD2-CD1 3.31Å; P121-L124 HydrophobicContact CG-CD2 4.08Å; Y122-L124 PolarHBondContact O-N 3.17Å
125D94.5Very high84.2Confident48 Ų4894 Ų9426%0.25747%0.467SS..EExtended strand (participates in β ladder)trans-55.4143.6169.6-158.548.8000111.5R109 N143 A145 G146R109-D125 PolarHBondContact NE-O 2.81Å; D125-N143 PolarHBondContact OD2-ND2 3.13Å; D125-A145 WeakPolarHBondContact OD1-CA 3.49Å; D125-G146 PolarHBondContact OD1-N 3.48Å
126I91.8Very high84.1Confident64 Ų6491.8 Ų91.833%0.32846%0.46SS..  trans-97.7108.9169.1-59.8173.7000106.7G107 R109 E128G107-I126 WeakPolarHBondContact O-CB 3.47Å; G107-I126 WeakPolarHBondContact O-CG1 3.34Å; G107-I126 PolarHBondContact O-N 2.89Å; R109-I126 HydrophobicContact CB-CD1 4.15Å; R109-I126 HydrophobicContact CB-CG1 3.86Å; R109-I126 HydrophobicContact CG-CG1 3.84Å; I126-E128 HydrophobicContact CG2-CG 4.12Å; I126-E128 PolarHBondContact O-N 3.47Å; I126-E128 VanDerWaalsContact O-N 3.11Å; I126-E128 VanDerWaalsContact O-OE2 3.08Å
127D91.3Very high84.1Confident72 Ų7282.5 Ų82.539%0.38543%0.426SS..  trans-81.289.1176.5-172.2-18.5000110C129 A130D127-C129 PolarHBondContact O-N 2.75Å; D127-C129 VanDerWaalsContact O-N 3.13Å; D127-C129 WeakPolarHBondContact OD1-CA 3.36Å; D127-C129 VanDerWaalsContact OD1-CB 3.31Å; D127-C129 WeakPolarHBondContact OD1-CB 3.31Å; D127-C129 PolarHBondContact OD1-N 3.29Å; D127-A130 HydrophobicContact CB-CB 4.06Å; D127-A130 WeakPolarHBondContact O-CB 3.47Å; D127-A130 PolarHBondContact O-N 2.82Å; D127-A130 VanDerWaalsContact O-N 3.12Å; D127-A130 PolarHBondContact OD1-N 3.28Å; D127-A130 VanDerWaalsContact OD1-N 3.13Å
128E90.4Very high84.1Confident36 Ų3680.9 Ų80.917%0.16842%0.423CS..THydrogen-bonded Turntrans-67.8-7.9178.2-54.298.3157.300113.2I126 A136 F148I126-E128 HydrophobicContact CG2-CG 4.12Å; I126-E128 PolarHBondContact O-N 3.47Å; I126-E128 VanDerWaalsContact O-N 3.11Å; I126-E128 VanDerWaalsContact O-OE2 3.08Å; E128-A136 HydrophobicContact CB-CB 4.01Å; E128-A136 WeakPolarHBondContact O-CB 3.3Å; E128-F148 HydrophobicContact CB-CB 4.44Å; E128-F148 HydrophobicContact CB-CD1 3.69Å; E128-F148 HydrophobicContact CB-CE1 4.21Å; E128-F148 HydrophobicContact CB-CG 4.21Å; E128-F148 VanDerWaalsContact CD-CD1 3.46Å; E128-F148 HydrophobicContact CG-CD1 3.8Å; E128-F148 HydrophobicContact CG-CE1 4.2Å; E128-F148 WeakPolarHBondContact OE2-CD1 3.48Å; E128-F148 PolarHBondContact OE2-N 3.46Å
129C89.4Confident84.2Confident43 Ų4373.6 Ų73.629%0.29140%0.398SS..THydrogen-bonded Turntrans-89-12.6174.1-54.70000113.3D127 C141 I142 N143D127-C129 PolarHBondContact O-N 2.75Å; D127-C129 VanDerWaalsContact O-N 3.13Å; D127-C129 WeakPolarHBondContact OD1-CA 3.36Å; D127-C129 VanDerWaalsContact OD1-CB 3.31Å; D127-C129 WeakPolarHBondContact OD1-CB 3.31Å; D127-C129 PolarHBondContact OD1-N 3.29Å; C129-C141 WeakPolarHBondContact CA-SG 3.38Å; C129-C141 HydrophobicContact CB-CB 3.71Å; C129-C141 WeakPolarHBondContact CB-SG 3.48Å; C129-C141 WeakPolarHBondContact SG-CB 3.45Å; C129-C141 CovalentContact SG-SG 2.04Å; C129-C141 PolarHBondContact SG-SG 2.87Å; C129-I142 PolarHBondContact SG-N 3.05Å; C129-N143 HydrophobicContact CB-CB 4.5Å; C129-N143 PolarHBondContact SG-N 2.73Å
130A88.3Confident84.2Confident60 Ų6071.8 Ų71.850%0.49639%0.391SS..THydrogen-bonded Turntrans-75.5-38.2179.200000113.1D127 K132D127-A130 HydrophobicContact CB-CB 4.06Å; D127-A130 WeakPolarHBondContact O-CB 3.47Å; D127-A130 PolarHBondContact O-N 2.82Å; D127-A130 VanDerWaalsContact O-N 3.12Å; D127-A130 PolarHBondContact OD1-N 3.28Å; D127-A130 VanDerWaalsContact OD1-N 3.13Å; A130-K132 PolarHBondContact O-N 3.26Å; A130-K132 VanDerWaalsContact O-N 3.12Å
131D79.9Confident84.5Confident113 Ų11367.5 Ų67.560%0.60438%0.376SS*.  trans-85.186-172.4-86.2-37.1000113N133 M134D131-N133 PolarHBondContact O-N 2.87Å; D131-M134 PolarHBondContact O-N 2.93Å
132K63.6Low84.6Confident199 Ų19966.9 Ų66.987%0.86537%0.369SS*.THydrogen-bonded Turntrans-54-14-179.1-62.3-175179.1-176.70116.5A130A130-K132 PolarHBondContact O-N 3.26Å; A130-K132 VanDerWaalsContact O-N 3.12Å
133N62.7Low84.8Confident171 Ų17168 Ų6891%0.91438%0.377SS*.THydrogen-bonded Turntrans-87-14177.1-70.9-9.5000113.4D131D131-N133 PolarHBondContact O-N 2.87Å
134M63.2Low84.8Confident132 Ų13270.2 Ų70.265%0.6539%0.39SS*.SBendtrans-125.587.7180-170.41697200108.4D131 A136D131-M134 PolarHBondContact O-N 2.93Å; M134-A136 PolarHBondContact O-N 3.44Å
135S67.8Low84.8Confident106 Ų10672.6 Ų72.674%0.74141%0.414SS*.  trans-66.389.3-174.158.20000111.7C137S135-C137 PolarHBondContact O-N 3.23Å
136A82.5Confident84.5Confident14 Ų1471 Ų7112%0.11641%0.409CS..SBendtrans-57-34.2177.100000111.9E128 M134 F148 K163E128-A136 HydrophobicContact CB-CB 4.01Å; E128-A136 WeakPolarHBondContact O-CB 3.3Å; M134-A136 PolarHBondContact O-N 3.44Å; A136-F148 HydrophobicContact CB-CD1 4.39Å; A136-F148 HydrophobicContact CB-CD2 3.91Å; A136-F148 HydrophobicContact CB-CE1 4.2Å; A136-F148 HydrophobicContact CB-CE2 3.71Å; A136-F148 HydrophobicContact CB-CG 4.23Å; A136-F148 HydrophobicContact CB-CZ 3.85Å; A136-F148 WeakPolarHBondContact O-CE2 3.43Å; A136-K163 WeakPolarHBondContact O-CD 3.38Å; A136-K163 WeakPolarHBondContact O-CG 3.28Å
137C87.8Confident84.6Confident13 Ų1371 Ų719%0.08841%0.414CS..SBendtrans-127.6154.2174.3-58.60000111.2S135 C141 C150S135-C137 PolarHBondContact O-N 3.23Å; C137-C141 HydrophobicContact CB-CB 3.97Å; C137-C150 WeakPolarHBondContact CA-SG 3.2Å; C137-C150 HydrophobicContact CB-CB 3.64Å; C137-C150 WeakPolarHBondContact CB-SG 3.33Å; C137-C150 WeakPolarHBondContact SG-CA 3.44Å; C137-C150 WeakPolarHBondContact SG-CB 3.21Å; C137-C150 CovalentContact SG-SG 2.03Å; C137-C150 PolarHBondContact SG-SG 2.98Å
138S88.6Confident84.6Confident60 Ų6069.6 Ų69.642%0.4241%0.405SS..SBendtrans-77.5-22.9175.360.60000114.7K163 T164 C165S138-K163 WeakPolarHBondContact CB-O 3.27Å; S138-K163 PolarHBondContact N-O 2.75Å; S138-K163 PolarHBondContact OG-O 2.95Å; S138-T164 WeakPolarHBondContact OG-CA 3.49Å; S138-C165 WeakPolarHBondContact OG-CB 3.41Å; S138-C165 PolarHBondContact OG-N 2.58Å
139Q88.3Confident84.7Confident60 Ų6073.3 Ų73.328%0.2842%0.417SS..SBendtrans-133.1-96.5-179.4-67.3-177.2-0.100111.6Y156 C165Q139-Y156 VanDerWaalsContact NE2-CG 3.31Å; Q139-C165 HydrophobicContact CB-CB 4.32Å; Q139-C165 HydrophobicContact CG-CB 3.75Å
140I89.9Confident84.8Confident69 Ų6971.7 Ų71.735%0.35441%0.406SS..EExtended strand (participates in β ladder)trans-93.3119.9-177.5-46.5175.4000108.5I142 C150 E151 E153I140-I142 HydrophobicContact CG2-CD1 4.43Å; I140-I142 HydrophobicContact CG2-CG1 4.1Å; I140-C150 WeakPolarHBondContact O-CA 3.5Å; I140-E151 WeakPolarHBondContact CA-O 3.34Å; I140-E151 HydrophobicContact CB-CB 4.28Å; I140-E151 WeakPolarHBondContact CB-O 3.21Å; I140-E151 PolarHBondContact N-O 2.62Å; I140-E151 PolarHBondContact O-N 3.46Å; I140-E153 HydrophobicContact CD1-CG 4.33Å; I140-E153 HydrophobicContact CG1-CG 4.4Å
141C92.1Very high85Confident39 Ų3972.8 Ų72.826%0.26440%0.401SS..EExtended strand (participates in β ladder)trans-98.6131.1171.3-169.70000109.4C129 C137C129-C141 WeakPolarHBondContact CA-SG 3.38Å; C129-C141 HydrophobicContact CB-CB 3.71Å; C129-C141 WeakPolarHBondContact CB-SG 3.48Å; C129-C141 WeakPolarHBondContact SG-CB 3.45Å; C129-C141 CovalentContact SG-SG 2.04Å; C129-C141 PolarHBondContact SG-SG 2.87Å; C137-C141 HydrophobicContact CB-CB 3.97Å
142I91.4Very high85.6Confident48 Ų4869 Ų6925%0.24638%0.383CS..EExtended strand (participates in β ladder)trans-127.3108175.2-54.5178.5000108.8C129 I140 R149 E151C129-I142 PolarHBondContact SG-N 3.05Å; I140-I142 HydrophobicContact CG2-CD1 4.43Å; I140-I142 HydrophobicContact CG2-CG1 4.1Å; I142-R149 HydrophobicContact CB-CG 4.22Å; I142-R149 PolarHBondContact N-O 2.8Å; I142-R149 PolarHBondContact O-N 3.41Å; I142-E151 HydrophobicContact CD1-CB 4.39Å; I142-E151 VanDerWaalsContact CD1-CD 3.41Å; I142-E151 HydrophobicContact CD1-CG 4.02Å; I142-E151 WeakPolarHBondContact CD1-OE1 3.16Å
143N92.8Very high86.9Confident44 Ų4465 Ų6524%0.23537%0.368CS..EExtended strand (participates in β ladder)trans-66.6144.3174.5-175.127000110.8D125 C129D125-N143 PolarHBondContact OD2-ND2 3.13Å; C129-N143 HydrophobicContact CB-CB 4.5Å; C129-N143 PolarHBondContact SG-N 2.73Å
144T91.9Very high88.1Confident54 Ų5467.1 Ų67.133%0.33137%0.369SS..EExtended strand (participates in β ladder)trans-143.3159.6174.968.50000109.6G146 S147T144-G146 PolarHBondContact O-N 2.04Å; T144-S147 CarbonylContact C-O 3.58Å; T144-S147 VanDerWaalsContact C-O 3.29Å; T144-S147 VanDerWaalsContact CA-O 3.27Å; T144-S147 WeakPolarHBondContact CA-O 3.44Å; T144-S147 WeakPolarHBondContact CB-O 3.05Å; T144-S147 PolarHBondContact N-O 3.43Å; T144-S147 CarbonylContact O-C 2.81Å; T144-S147 PolarHBondContact O-N 2.83Å; T144-S147 PolarHBondContact OG1-O 3.46Å
145A92.1Very high89.2Confident80 Ų8062.9 Ų62.966%0.66136%0.359SS*.THydrogen-bonded Turntrans-62.1102.5-171.300000113Y108 D125Y108-A145 WeakPolarHBondContact OH-CB 3.03Å; Y108-A145 PolarHBondContact OH-O 2.87Å; Y108-A145 VanDerWaalsContact OH-O 3.13Å; D125-A145 WeakPolarHBondContact OD1-CA 3.49Å
146G90.1Very high90.2Very high15 Ų1561.7 Ų61.716%0.15534%0.338CS..THydrogen-bonded Turntrans87.810.7-176.700000116.2Y108 D125 T144Y108-G146 PolarHBondContact OH-N 3.03Å; D125-G146 PolarHBondContact OD1-N 3.48Å; T144-G146 PolarHBondContact O-N 2.04Å
147S91.9Very high90.5Very high62 Ų6264.7 Ų64.743%0.43435%0.349SS..EExtended strand (participates in β ladder)trans-172.8156.9175.3-145.80000112.5T144T144-S147 CarbonylContact C-O 3.58Å; T144-S147 VanDerWaalsContact C-O 3.29Å; T144-S147 VanDerWaalsContact CA-O 3.27Å; T144-S147 WeakPolarHBondContact CA-O 3.44Å; T144-S147 WeakPolarHBondContact CB-O 3.05Å; T144-S147 PolarHBondContact N-O 3.43Å; T144-S147 CarbonylContact O-C 2.81Å; T144-S147 PolarHBondContact O-N 2.83Å; T144-S147 PolarHBondContact OG1-O 3.46Å
148F92.4Very high90.6Very high44 Ų4467.7 Ų67.719%0.19336%0.364CS..EExtended strand (participates in β ladder)trans-100.9159.8165.767.4-79.9000111.8E128 A136 K163E128-F148 HydrophobicContact CB-CB 4.44Å; E128-F148 HydrophobicContact CB-CD1 3.69Å; E128-F148 HydrophobicContact CB-CE1 4.21Å; E128-F148 HydrophobicContact CB-CG 4.21Å; E128-F148 VanDerWaalsContact CD-CD1 3.46Å; E128-F148 HydrophobicContact CG-CD1 3.8Å; E128-F148 HydrophobicContact CG-CE1 4.2Å; E128-F148 WeakPolarHBondContact OE2-CD1 3.48Å; E128-F148 PolarHBondContact OE2-N 3.46Å; A136-F148 HydrophobicContact CB-CD1 4.39Å; A136-F148 HydrophobicContact CB-CD2 3.91Å; A136-F148 HydrophobicContact CB-CE1 4.2Å; A136-F148 HydrophobicContact CB-CE2 3.71Å; A136-F148 HydrophobicContact CB-CG 4.23Å; A136-F148 HydrophobicContact CB-CZ 3.85Å; A136-F148 WeakPolarHBondContact O-CE2 3.43Å; F148-K163 HydrophobicContact CE2-CG 4.49Å
149R91.8Very high90.6Very high113 Ų11368.9 Ų68.943%0.42636%0.363SS..EExtended strand (participates in β ladder)trans-127.1153.2162.173177.2-169.2-76.2-4111.1I142 E151I142-R149 HydrophobicContact CB-CG 4.22Å; I142-R149 PolarHBondContact N-O 2.8Å; I142-R149 PolarHBondContact O-N 3.41Å; R149-E151 IonicContact CZ-OE1 2.8Å; R149-E151 IonicContact NE-OE1 2.78Å; R149-E151 PolarHBondContact NE-OE1 2.82Å; R149-E151 IonicContact NH2-OE1 2.62Å; R149-E151 PolarHBondContact NH2-OE1 2.91Å
150C92.3Very high90.6Very high9 Ų974.7 Ų74.76%0.06140%0.396CS..EExtended strand (participates in β ladder)trans-102.2136.6176.7-54.10000110.8C137 I140 L158 G162C137-C150 WeakPolarHBondContact CA-SG 3.2Å; C137-C150 HydrophobicContact CB-CB 3.64Å; C137-C150 WeakPolarHBondContact CB-SG 3.33Å; C137-C150 WeakPolarHBondContact SG-CA 3.44Å; C137-C150 WeakPolarHBondContact SG-CB 3.21Å; C137-C150 CovalentContact SG-SG 2.03Å; C137-C150 PolarHBondContact SG-SG 2.98Å; I140-C150 WeakPolarHBondContact O-CA 3.5Å; C150-L158 HydrophobicContact CB-CD1 3.85Å; C150-G162 WeakPolarHBondContact CB-O 3.37Å; C150-G162 PolarHBondContact SG-O 3.49Å
151E91.6Very high90.4Very high83 Ų8375.3 Ų75.339%0.38840%0.4SS..EExtended strand (participates in β ladder)trans-123.9151.3171-69.2-177-161.100109.1I140 I142 R149I140-E151 WeakPolarHBondContact CA-O 3.34Å; I140-E151 HydrophobicContact CB-CB 4.28Å; I140-E151 WeakPolarHBondContact CB-O 3.21Å; I140-E151 PolarHBondContact N-O 2.62Å; I140-E151 PolarHBondContact O-N 3.46Å; I142-E151 HydrophobicContact CD1-CB 4.39Å; I142-E151 VanDerWaalsContact CD1-CD 3.41Å; I142-E151 HydrophobicContact CD1-CG 4.02Å; I142-E151 WeakPolarHBondContact CD1-OE1 3.16Å; R149-E151 IonicContact CZ-OE1 2.8Å; R149-E151 IonicContact NE-OE1 2.78Å; R149-E151 PolarHBondContact NE-OE1 2.82Å; R149-E151 IonicContact NH2-OE1 2.62Å; R149-E151 PolarHBondContact NH2-OE1 2.91Å
152C92.3Very high90.1Very high33 Ų3375 Ų7522%0.22340%0.403CS..  trans-109.9150.8-175.3-53.90000111.6F157 L158 C165C152-F157 VanDerWaalsContact SG-C 3.59Å; C152-L158 VanDerWaalsContact SG-CA 3.57Å; C152-L158 PolarHBondContact SG-N 3.35Å; C152-L158 VanDerWaalsContact SG-N 3.38Å; C152-C165 WeakPolarHBondContact CA-SG 3.34Å; C152-C165 HydrophobicContact CB-CB 3.73Å; C152-C165 WeakPolarHBondContact CB-SG 3.47Å; C152-C165 WeakPolarHBondContact SG-CB 3.15Å; C152-C165 CovalentContact SG-SG 2.04Å; C152-C165 PolarHBondContact SG-SG 2.83Å
153E91.6Very high90Very high116 Ų11677.3 Ų77.354%0.54241%0.411SS..  trans-68163.1175.3-63.9-165.8159.400112.2I140 G155 Y156I140-E153 HydrophobicContact CD1-CG 4.33Å; I140-E153 HydrophobicContact CG1-CG 4.4Å; E153-G155 PolarHBondContact O-N 3.12Å; E153-Y156 HydrophobicContact CB-CD2 4.14Å; E153-Y156 PolarHBondContact O-N 3.16Å
154K88.3Confident89.9Confident216 Ų21677.6 Ų77.694%0.93942%0.415SS*.THydrogen-bonded Turntrans-61.3113.5-175.9-67.3178.3-179.9175.40111.3
155G85.8Confident89.8Confident42 Ų4275.5 Ų75.543%0.43340%0.403SS..THydrogen-bonded Turntrans1025.9-176.900000114.4E153E153-G155 PolarHBondContact O-N 3.12Å
156Y89.3Confident89.7Confident81 Ų8174.5 Ų74.532%0.31839%0.388SS..  trans-114.7155168.7-65.5-100.6000110Q139 E153 C165 T166 K167Q139-Y156 VanDerWaalsContact NE2-CG 3.31Å; E153-Y156 HydrophobicContact CB-CD2 4.14Å; E153-Y156 PolarHBondContact O-N 3.16Å; Y156-C165 WeakPolarHBondContact CD1-O 3.49Å; Y156-T166 WeakPolarHBondContact CA-O 3.29Å; Y156-K167 HydrophobicContact CD1-CB 3.8Å; Y156-K167 HydrophobicContact CD1-CG 4.33Å; Y156-K167 HydrophobicContact CE1-CB 3.56Å; Y156-K167 HydrophobicContact CE1-CG 4.03Å
157F87.9Confident89.5Confident77 Ų7781.2 Ų81.234%0.33841%0.413SS..EExtended strand (participates in β ladder)trans-127.5144.8176.7-62.2-67.5000110.3C152 C165 T166 G168 R170C152-F157 VanDerWaalsContact SG-C 3.59Å; F157-C165 CarbonylContact O-C 3.57Å; F157-C165 VanDerWaalsContact O-CA 3.29Å; F157-C165 WeakPolarHBondContact O-CA 3.47Å; F157-T166 PolarHBondContact N-O 2.96Å; F157-T166 PolarHBondContact O-N 2.85Å; F157-G168 WeakPolarHBondContact CE2-O 3.47Å; F157-R170 VanDerWaalsContact CE1-NH2 3.3Å; F157-R170 HydrophobicContact CE2-CG 3.77Å; F157-R170 HydrophobicContact CZ-CG 3.79Å; F157-R170 VanDerWaalsContact CZ-NE 3.28Å
158L90.6Very high88.5Confident76 Ų7679.7 Ų79.740%0.39841%0.407SS..EExtended strand (participates in β ladder)trans-77.1132.6177.9-163.670.6000109C150 C152 T164C150-L158 HydrophobicContact CB-CD1 3.85Å; C152-L158 VanDerWaalsContact SG-CA 3.57Å; C152-L158 PolarHBondContact SG-N 3.35Å; C152-L158 VanDerWaalsContact SG-N 3.38Å; L158-T164 WeakPolarHBondContact CA-O 3.25Å
159E89.1Confident87Confident85 Ų8586.3 Ų86.340%0.39744%0.439SS..  trans-82.9171.5178.1-60.2-167.3141.600111.8D161 G162 T164 T166E159-D161 PolarHBondContact O-N 3.04Å; E159-G162 PolarHBondContact O-N 3.27Å; E159-T164 PolarHBondContact N-O 2.81Å; E159-T164 VanDerWaalsContact OE2-CG2 3.26Å; E159-T164 WeakPolarHBondContact OE2-CG2 3.42Å; E159-T166 VanDerWaalsContact CD-CG2 3.49Å; E159-T166 VanDerWaalsContact CD-OG1 3.29Å; E159-T166 HydrophobicContact CG-CG2 4.33Å; E159-T166 WeakPolarHBondContact CG-OG1 3.22Å; E159-T166 WeakPolarHBondContact OE1-CB 3.21Å; E159-T166 WeakPolarHBondContact OE1-CG2 3.4Å; E159-T166 PolarHBondContact OE1-OG1 2.87Å
160D86.8Confident85.4Confident183 Ų18389.6 Ų89.698%0.97945%0.451SS*.THydrogen-bonded Turntrans-63-11.1-178.2-63.7-47.6000113.8G162D160-G162 VanDerWaalsContact C-N 3.25Å
161D86.4Confident83.4Confident81 Ų8194.2 Ų94.243%0.43348%0.479SS..THydrogen-bonded Turntrans-75.6-12.2171.880.8-22.7000113.5E159 K163 T164E159-D161 PolarHBondContact O-N 3.04Å; D161-K163 PolarHBondContact O-N 2.97Å; D161-K163 PolarHBondContact OD1-N 3.33Å; D161-T164 PolarHBondContact OD1-N 3.46Å; D161-T164 VanDerWaalsContact OD2-CB 3.29Å; D161-T164 WeakPolarHBondContact OD2-CB 3.42Å; D161-T164 PolarHBondContact OD2-N 3.08Å; D161-T164 PolarHBondContact OD2-OG1 3.12Å
162G86.3Confident81.4Confident33 Ų3397.4 Ų97.434%0.3449%0.494SS..SBendtrans70.112.2-177.600000115C150 E159 D160C150-G162 WeakPolarHBondContact CB-O 3.37Å; C150-G162 PolarHBondContact SG-O 3.49Å; E159-G162 PolarHBondContact O-N 3.27Å; D160-G162 VanDerWaalsContact C-N 3.25Å
163K88.7Confident79.3Confident96 Ų96102.1 Ų102.142%0.41752%0.516SS..SBendtrans-138.1-35.1-171.1-61.3180-178.1-168.70114.6A136 S138 F148 D161A136-K163 WeakPolarHBondContact O-CD 3.38Å; A136-K163 WeakPolarHBondContact O-CG 3.28Å; S138-K163 WeakPolarHBondContact CB-O 3.27Å; S138-K163 PolarHBondContact N-O 2.75Å; S138-K163 PolarHBondContact OG-O 2.95Å; F148-K163 HydrophobicContact CE2-CG 4.49Å; D161-K163 PolarHBondContact O-N 2.97Å; D161-K163 PolarHBondContact OD1-N 3.33Å
164T90.4Very high77.2Confident50 Ų50105.4 Ų105.431%0.30753%0.529SS..  trans-89131.7-177-59.20000110S138 L158 E159 D161 T166S138-T164 WeakPolarHBondContact OG-CA 3.49Å; L158-T164 WeakPolarHBondContact CA-O 3.25Å; E159-T164 PolarHBondContact N-O 2.81Å; E159-T164 VanDerWaalsContact OE2-CG2 3.26Å; E159-T164 WeakPolarHBondContact OE2-CG2 3.42Å; D161-T164 PolarHBondContact OD1-N 3.46Å; D161-T164 VanDerWaalsContact OD2-CB 3.29Å; D161-T164 WeakPolarHBondContact OD2-CB 3.42Å; D161-T164 PolarHBondContact OD2-N 3.08Å; D161-T164 PolarHBondContact OD2-OG1 3.12Å; T164-T166 HydrophobicContact CG2-CG2 4.22Å
165C91.2Very high75.3Confident11 Ų11102 Ų1027%0.07452%0.516CS..EExtended strand (participates in β ladder)trans-114.398.5-177.9-72.10000109.3S138 Q139 C152 Y156 F157S138-C165 WeakPolarHBondContact OG-CB 3.41Å; S138-C165 PolarHBondContact OG-N 2.58Å; Q139-C165 HydrophobicContact CB-CB 4.32Å; Q139-C165 HydrophobicContact CG-CB 3.75Å; C152-C165 WeakPolarHBondContact CA-SG 3.34Å; C152-C165 HydrophobicContact CB-CB 3.73Å; C152-C165 WeakPolarHBondContact CB-SG 3.47Å; C152-C165 WeakPolarHBondContact SG-CB 3.15Å; C152-C165 CovalentContact SG-SG 2.04Å; C152-C165 PolarHBondContact SG-SG 2.83Å; Y156-C165 WeakPolarHBondContact CD1-O 3.49Å; F157-C165 CarbonylContact O-C 3.57Å; F157-C165 VanDerWaalsContact O-CA 3.29Å; F157-C165 WeakPolarHBondContact O-CA 3.47Å
166T89.1Confident73.4Confident59 Ų59108.4 Ų108.436%0.36253%0.532SS..EExtended strand (participates in β ladder)trans-94.9150.8179.1490000112.8Y156 F157 E159 T164 G168Y156-T166 WeakPolarHBondContact CA-O 3.29Å; F157-T166 PolarHBondContact N-O 2.96Å; F157-T166 PolarHBondContact O-N 2.85Å; E159-T166 VanDerWaalsContact CD-CG2 3.49Å; E159-T166 VanDerWaalsContact CD-OG1 3.29Å; E159-T166 HydrophobicContact CG-CG2 4.33Å; E159-T166 WeakPolarHBondContact CG-OG1 3.22Å; E159-T166 WeakPolarHBondContact OE1-CB 3.21Å; E159-T166 WeakPolarHBondContact OE1-CG2 3.4Å; E159-T166 PolarHBondContact OE1-OG1 2.87Å; T164-T166 HydrophobicContact CG2-CG2 4.22Å; T166-G168 VanDerWaalsContact C-N 3.29Å; T166-G168 PolarHBondContact O-N 2.8Å
167K86.1Confident71.5Confident156 Ų156109.7 Ų109.768%0.67855%0.552SS**  trans-82.972.8-175.4-164.9-171.1173.1-173.10110.8Y156 E169Y156-K167 HydrophobicContact CD1-CB 3.8Å; Y156-K167 HydrophobicContact CD1-CG 4.33Å; Y156-K167 HydrophobicContact CE1-CB 3.56Å; Y156-K167 HydrophobicContact CE1-CG 4.03Å; K167-E169 PolarHBondContact O-N 3.47Å
168G70.1Confident69.6Low30 Ų30112 Ų11231%0.30957%0.568SS.*  trans-67.4114.6170.600000111F157 T166 R170F157-G168 WeakPolarHBondContact CE2-O 3.47Å; T166-G168 VanDerWaalsContact C-N 3.29Å; T166-G168 PolarHBondContact O-N 2.8Å; G168-R170 PolarHBondContact O-N 3.08Å
169E62.3Low67.9Low182 Ų182114.4 Ų114.485%0.8558%0.581SS**  trans-60.6125.7141.2-75.3-168.6156.700106.7K167 V171K167-E169 PolarHBondContact O-N 3.47Å; E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 2.97Å
170R56.3Low66.2Low182 Ų182118.3 Ų118.369%0.68760%0.603SS**  trans-67.695.2165.5-76.6-175.9177.6147-4.2107.5F157 G168 H172F157-R170 VanDerWaalsContact CE1-NH2 3.3Å; F157-R170 HydrophobicContact CE2-CG 3.77Å; F157-R170 HydrophobicContact CZ-CG 3.79Å; F157-R170 VanDerWaalsContact CZ-NE 3.28Å; G168-R170 PolarHBondContact O-N 3.08Å; R170-H172 PolarHBondContact O-N 3.46Å; R170-H172 VanDerWaalsContact O-N 3.11Å
171V52Low64.6Low107 Ų107116.3 Ų116.365%0.64859%0.59SS**  trans-48.4120.7145.1-178.10000105.3E169 L173E169-V171 VanDerWaalsContact C-N 3.26Å; E169-V171 PolarHBondContact O-N 2.97Å; V171-L173 HydrophobicContact CB-CD1 4.33Å; V171-L173 HydrophobicContact CG1-CD1 4.25Å; V171-L173 HydrophobicContact CG1-CG 4.05Å; V171-L173 PolarHBondContact O-N 3.43Å
172H49.2Very low63.3Low150 Ų150118.6 Ų118.669%0.69460%0.602SS**  trans-67.890.3171-94.4-116.9000107R170 F174 E175R170-H172 PolarHBondContact O-N 3.46Å; R170-H172 VanDerWaalsContact O-N 3.11Å; H172-F174 CarbonylContact O-C 3.53Å; H172-E175 PolarHBondContact O-N 2.88Å
173L48.1Very low61.2Low132 Ų132122 Ų12269%0.69163%0.627SS**  trans-93.654.3167.6-87.6153.7000108.1V171 E175V171-L173 HydrophobicContact CB-CD1 4.33Å; V171-L173 HydrophobicContact CG1-CD1 4.25Å; V171-L173 HydrophobicContact CG1-CG 4.05Å; V171-L173 PolarHBondContact O-N 3.43Å; L173-E175 HydrophobicContact CD2-CB 4.19Å; L173-E175 HydrophobicContact CD2-CG 3.78Å
174F47.6Very low59.9Low185 Ų185121.2 Ų121.281%0.81165%0.647SS**  -27.453.857.3-61.7-75.9000121.8H172 K176H172-F174 CarbonylContact O-C 3.53Å; F174-K176 PolarHBondContact O-N 2.79Å
175E48.1Very low58.6Low145 Ų145123.8 Ų123.868%0.67866%0.662SS**  trans-59.5124.1136.8-88.1-174.3138.600104.4H172 L173 C177H172-E175 PolarHBondContact O-N 2.88Å; L173-E175 HydrophobicContact CD2-CB 4.19Å; L173-E175 HydrophobicContact CD2-CG 3.78Å; E175-C177 PolarHBondContact O-N 3.32Å; E175-C177 VanDerWaalsContact O-N 3.14Å
176K46.1Very low57.1Low175 Ų175129.9 Ų129.976%0.76170%0.703SS**  trans-52.4123.6159.5-110.1177.9169.9-174.60105.8F174 D178F174-K176 PolarHBondContact O-N 2.79Å; K176-D178 PolarHBondContact O-N 2.79Å
177C49.2Very low55.8Low108 Ų108130.7 Ų130.773%0.7371%0.711SS**  trans-67.880161.4-58.40000107.1E175 N179E175-C177 PolarHBondContact O-N 3.32Å; E175-C177 VanDerWaalsContact O-N 3.14Å; C177-N179 PolarHBondContact O-N 3.48Å; C177-N179 VanDerWaalsContact O-N 3.09Å; C177-N179 PolarHBondContact O-ND2 3.36Å; C177-N179 VanDerWaalsContact O-ND2 3.07Å
178D47.3Very low55Low126 Ų126125.8 Ų125.867%0.67470%0.7SS**  trans-62.1112.5167.9-79.3-21.2000105.9K176 L180K176-D178 PolarHBondContact O-N 2.79Å; D178-L180 PolarHBondContact O-N 3.16Å
179N56.2Low55.2Low126 Ų126127.5 Ų127.567%0.67470%0.704SS**  trans-76.162.9-162.6-68-77.4000112C177 M181C177-N179 PolarHBondContact O-N 3.48Å; C177-N179 VanDerWaalsContact O-N 3.09Å; C177-N179 PolarHBondContact O-ND2 3.36Å; C177-N179 VanDerWaalsContact O-ND2 3.07Å; N179-M181 PolarHBondContact O-N 2.81Å
180L53.6Low55.5Low167 Ų167123.7 Ų123.787%0.87470%0.697SS**  trans-80.371.7178.3-159.369.6000110.1D178 N182D178-L180 PolarHBondContact O-N 3.16Å; L180-N182 PolarHBondContact O-N 2.93Å
181M53.5Low56.5Low141 Ų141119.9 Ų119.970%0.69569%0.687SS**  trans-53.4123.3175.3-68-70.8-176.800110.5N179N179-M181 PolarHBondContact O-N 2.81Å
182N57.4Low57.6Low130 Ų130118.3 Ų118.370%0.69568%0.675SS**  trans-119.2147170.6-167.615.1000110.2L180 G184L180-N182 PolarHBondContact O-N 2.93Å; N182-G184 PolarHBondContact O-N 2.82Å; N182-G184 VanDerWaalsContact O-N 3.08Å
183A42.5Very low58.8Low104 Ų104117.6 Ų117.686%0.8667%0.67SS**THydrogen-bonded Turntrans-72.9103.1-174.800000111.2
184G62Low60.1Low80 Ų80114.9 Ų114.983%0.82566%0.656SS**THydrogen-bonded Turntrans138.2-13.4173.500000115.6N182N182-G184 PolarHBondContact O-N 2.82Å; N182-G184 VanDerWaalsContact O-N 3.08Å
185T62.3Low61.4Low103 Ų103111.4 Ų111.463%0.63264%0.642SS**  trans-111.6125.5179.545.70000112.4S187T185-S187 PolarHBondContact O-N 3.34Å
186C60.3Low63Low139 Ų139109 Ų10994%0.93963%0.633SS**  trans-8596.8173.4-64.90000110.7A188C186-A188 PolarHBondContact O-N 3.37Å
187S62.9Low64.5Low76 Ų76106.9 Ų106.953%0.53162%0.624SS.*  trans-86.2102.2169.939.20000110.9T185T185-S187 PolarHBondContact O-N 3.34Å
188A67.6Low66Low54 Ų54105.5 Ų105.545%0.44661%0.608SS.*  trans-69.8136.3166.500000110C186 D192 F193C186-A188 PolarHBondContact O-N 3.37Å; A188-D192 HydrophobicContact CB-CB 4.18Å; A188-F193 HydrophobicContact CB-CD2 4.22Å; A188-F193 HydrophobicContact CB-CE2 3.87Å
189T75.4Confident67.7Low65 Ų65102.1 Ų102.140%0.39960%0.597SS.*  trans-77.8166-179.171.20000111.7E191 D192 F193T189-E191 PolarHBondContact O-N 3.11Å; T189-E191 PolarHBondContact OG1-N 2.83Å; T189-D192 WeakPolarHBondContact CA-OD2 3.33Å; T189-D192 VanDerWaalsContact CB-OD2 3.29Å; T189-D192 WeakPolarHBondContact CB-OD2 3.49Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.46Å; T189-D192 PolarHBondContact N-OD2 3.43Å; T189-D192 WeakPolarHBondContact O-CB 3.3Å; T189-D192 PolarHBondContact O-N 2.84Å; T189-D192 VanDerWaalsContact O-N 3.12Å; T189-D192 VanDerWaalsContact OG1-CG 3.29Å; T189-D192 PolarHBondContact OG1-N 3.45Å; T189-D192 VanDerWaalsContact OG1-N 3.15Å; T189-D192 PolarHBondContact OG1-OD2 3.33Å; T189-F193 WeakPolarHBondContact O-CD2 3.35Å; T189-F193 PolarHBondContact O-N 3.18Å; T189-F193 VanDerWaalsContact O-N 3.08Å
190C67.9Low68.9Low102 Ų102100.3 Ų100.369%0.68959%0.59SS**Hα-helixtrans-60.2-31173-167.20000112.1F193 L194C190-F193 PolarHBondContact O-N 3.39Å; C190-L194 WeakPolarHBondContact O-CG 3.18Å; C190-L194 PolarHBondContact O-N 3.34Å
191E76.4Confident69.9Low103 Ų10396.4 Ų96.448%0.48157%0.57SS.*Hα-helixtrans-67.4-44173.2-17457.3-147.800111.1T189 F193 L194 Q195T189-E191 PolarHBondContact O-N 3.11Å; T189-E191 PolarHBondContact OG1-N 2.83Å; E191-F193 VanDerWaalsContact C-N 3.29Å; E191-F193 PolarHBondContact O-N 2.88Å; E191-L194 CarbonylContact O-C 3.51Å; E191-L194 WeakPolarHBondContact O-CA 3.41Å; E191-L194 WeakPolarHBondContact O-CB 3.35Å; E191-L194 PolarHBondContact O-N 2.93Å; E191-Q195 HydrophobicContact CG-CG 4.45Å; E191-Q195 WeakPolarHBondContact O-CG 3.49Å; E191-Q195 PolarHBondContact O-N 3.5Å; E191-Q195 PolarHBondContact OE1-NE2 3.47Å
192D76.6Confident71.1Confident74 Ų7494.9 Ų94.940%0.39656%0.561SS.*Hα-helixtrans-59-40.9175.2-59.7-60.8000111.6A188 T189 Q195 I196A188-D192 HydrophobicContact CB-CB 4.18Å; T189-D192 WeakPolarHBondContact CA-OD2 3.33Å; T189-D192 VanDerWaalsContact CB-OD2 3.29Å; T189-D192 WeakPolarHBondContact CB-OD2 3.49Å; T189-D192 WeakPolarHBondContact CG2-OD2 3.46Å; T189-D192 PolarHBondContact N-OD2 3.43Å; T189-D192 WeakPolarHBondContact O-CB 3.3Å; T189-D192 PolarHBondContact O-N 2.84Å; T189-D192 VanDerWaalsContact O-N 3.12Å; T189-D192 VanDerWaalsContact OG1-CG 3.29Å; T189-D192 PolarHBondContact OG1-N 3.45Å; T189-D192 VanDerWaalsContact OG1-N 3.15Å; T189-D192 PolarHBondContact OG1-OD2 3.33Å; D192-Q195 PolarHBondContact O-N 2.85Å; D192-I196 WeakPolarHBondContact O-CB 3.36Å; D192-I196 WeakPolarHBondContact O-CD1 3.43Å; D192-I196 WeakPolarHBondContact O-CG1 3.24Å; D192-I196 PolarHBondContact O-N 3.42Å
193F74.4Confident72.2Confident134 Ų13493.2 Ų93.259%0.58855%0.552SS**Hα-helixtrans-66.2-35.4173.6-86.7-78.4000113.3A188 T189 C190 E191 K197A188-F193 HydrophobicContact CB-CD2 4.22Å; A188-F193 HydrophobicContact CB-CE2 3.87Å; T189-F193 WeakPolarHBondContact O-CD2 3.35Å; T189-F193 PolarHBondContact O-N 3.18Å; T189-F193 VanDerWaalsContact O-N 3.08Å; C190-F193 PolarHBondContact O-N 3.39Å; E191-F193 VanDerWaalsContact C-N 3.29Å; E191-F193 PolarHBondContact O-N 2.88Å; F193-K197 VanDerWaalsContact O-CB 3.25Å; F193-K197 WeakPolarHBondContact O-CB 3.43Å; F193-K197 PolarHBondContact O-N 3.16Å
194L75Confident73.9Confident76 Ų7695.6 Ų95.640%0.39854%0.543SS..Hα-helixtrans-66.2-43.7172.1-79.4163.1000111.4C190 E191 K197 M198C190-L194 WeakPolarHBondContact O-CG 3.18Å; C190-L194 PolarHBondContact O-N 3.34Å; E191-L194 CarbonylContact O-C 3.51Å; E191-L194 WeakPolarHBondContact O-CA 3.41Å; E191-L194 WeakPolarHBondContact O-CB 3.35Å; E191-L194 PolarHBondContact O-N 2.93Å; L194-K197 WeakPolarHBondContact O-CB 3.36Å; L194-K197 PolarHBondContact O-N 3.43Å; L194-M198 WeakPolarHBondContact O-CG 3.47Å; L194-M198 PolarHBondContact O-N 3.26Å
195Q75.4Confident74.7Confident111 Ų11198.1 Ų98.152%0.51953%0.533SS..Hα-helixtrans-63.6-44.1176-66.1-60.9-26.300111.6E191 D192 K197 M198 A199E191-Q195 HydrophobicContact CG-CG 4.45Å; E191-Q195 WeakPolarHBondContact O-CG 3.49Å; E191-Q195 PolarHBondContact O-N 3.5Å; E191-Q195 PolarHBondContact OE1-NE2 3.47Å; D192-Q195 PolarHBondContact O-N 2.85Å; Q195-K197 PolarHBondContact O-N 2.94Å; Q195-M198 PolarHBondContact O-N 3.12Å; Q195-A199 VanDerWaalsContact O-CB 3.31Å; Q195-A199 WeakPolarHBondContact O-CB 3.29Å; Q195-A199 PolarHBondContact O-N 3.15Å
196I81.9Confident75.4Confident96 Ų9699.4 Ų99.449%0.49253%0.53SS..Hα-helixtrans-59.8-45.4172.8-70163.2000110.5D192 M198 A199 V200D192-I196 WeakPolarHBondContact O-CB 3.36Å; D192-I196 WeakPolarHBondContact O-CD1 3.43Å; D192-I196 WeakPolarHBondContact O-CG1 3.24Å; D192-I196 PolarHBondContact O-N 3.42Å; I196-M198 PolarHBondContact O-N 3.23Å; I196-A199 PolarHBondContact O-N 2.62Å; I196-V200 HydrophobicContact CG2-CG2 4.38Å; I196-V200 WeakPolarHBondContact O-CB 3.48Å; I196-V200 VanDerWaalsContact O-CG2 3.31Å; I196-V200 WeakPolarHBondContact O-CG2 3.45Å; I196-V200 PolarHBondContact O-N 3.28Å
197K76.3Confident76Confident129 Ų12998.6 Ų98.656%0.56151%0.514SS*.Hα-helixtrans-60.6-42.7177-174.2-177.6-178.5178.60111.8F193 L194 Q195 L201F193-K197 VanDerWaalsContact O-CB 3.25Å; F193-K197 WeakPolarHBondContact O-CB 3.43Å; F193-K197 PolarHBondContact O-N 3.16Å; L194-K197 WeakPolarHBondContact O-CB 3.36Å; L194-K197 PolarHBondContact O-N 3.43Å; Q195-K197 PolarHBondContact O-N 2.94Å; K197-L201 HydrophobicContact CG-CD1 4.43Å; K197-L201 VanDerWaalsContact O-CG 3.3Å; K197-L201 WeakPolarHBondContact O-CG 3.43Å; K197-L201 PolarHBondContact O-N 2.7Å
198M80.6Confident76.1Confident80 Ų8097.8 Ų97.839%0.39451%0.512SS..Hα-helixtrans-67.6-42.5176-68.2-52105.200111.7L194 Q195 I196 V200 L201 Q202L194-M198 WeakPolarHBondContact O-CG 3.47Å; L194-M198 PolarHBondContact O-N 3.26Å; Q195-M198 PolarHBondContact O-N 3.12Å; I196-M198 PolarHBondContact O-N 3.23Å; M198-V200 PolarHBondContact O-N 3.46Å; M198-L201 HydrophobicContact CE-CD1 3.85Å; M198-L201 PolarHBondContact O-N 2.98Å; M198-L201 HydrophobicContact SD-CD1 4.47Å; M198-Q202 WeakPolarHBondContact O-CB 3.36Å; M198-Q202 WeakPolarHBondContact O-CG 3.5Å; M198-Q202 PolarHBondContact O-N 3.39Å
199A82.7Confident75.8Confident55 Ų55101.1 Ų101.146%0.45552%0.521SS..Hα-helixtrans-62.3-41.5176.800000112.2Q195 I196 Q202 L203Q195-A199 VanDerWaalsContact O-CB 3.31Å; Q195-A199 WeakPolarHBondContact O-CB 3.29Å; Q195-A199 PolarHBondContact O-N 3.15Å; I196-A199 PolarHBondContact O-N 2.62Å; A199-Q202 PolarHBondContact O-N 2.79Å; A199-L203 VanDerWaalsContact O-CB 3.31Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.9Å
200V81.9Confident74.9Confident87 Ų87104.5 Ų104.553%0.52754%0.536SS..Hα-helixtrans-66.2-39.6175.1170.10000111.6I196 M198 L203 K204I196-V200 HydrophobicContact CG2-CG2 4.38Å; I196-V200 WeakPolarHBondContact O-CB 3.48Å; I196-V200 VanDerWaalsContact O-CG2 3.31Å; I196-V200 WeakPolarHBondContact O-CG2 3.45Å; I196-V200 PolarHBondContact O-N 3.28Å; M198-V200 PolarHBondContact O-N 3.46Å; V200-L203 PolarHBondContact O-N 2.78Å; V200-K204 WeakPolarHBondContact O-CB 3.43Å; V200-K204 PolarHBondContact O-N 2.93Å
201L75.8Confident74.1Confident86 Ų86104.2 Ų104.245%0.4554%0.536SS..Hα-helixtrans-65.8-42.9174.2-73.5170.4000112.1K197 M198 K204 Q205K197-L201 HydrophobicContact CG-CD1 4.43Å; K197-L201 VanDerWaalsContact O-CG 3.3Å; K197-L201 WeakPolarHBondContact O-CG 3.43Å; K197-L201 PolarHBondContact O-N 2.7Å; M198-L201 HydrophobicContact CE-CD1 3.85Å; M198-L201 PolarHBondContact O-N 2.98Å; M198-L201 HydrophobicContact SD-CD1 4.47Å; L201-K204 PolarHBondContact O-N 3.3Å; L201-Q205 PolarHBondContact O-N 3.46Å
202Q78.3Confident73Confident108 Ų108106 Ų10651%0.50555%0.549SS..Hα-helixtrans-63.8-38.9173.8-72.4179.618.700112.1M198 A199 Q205 K206M198-Q202 WeakPolarHBondContact O-CB 3.36Å; M198-Q202 WeakPolarHBondContact O-CG 3.5Å; M198-Q202 PolarHBondContact O-N 3.39Å; A199-Q202 PolarHBondContact O-N 2.79Å; Q202-Q205 PolarHBondContact O-N 2.88Å; Q202-K206 WeakPolarHBondContact O-CB 3.49Å; Q202-K206 WeakPolarHBondContact O-CG 3.05Å; Q202-K206 PolarHBondContact O-N 3.17Å
203L80.6Confident71.5Confident96 Ų96107 Ų10750%0.50356%0.561SS.*Hα-helixtrans-64.9-42.9174.8-175.564.8000110.9A199 V200 Q205 K206 M207A199-L203 VanDerWaalsContact O-CB 3.31Å; A199-L203 WeakPolarHBondContact O-CB 3.45Å; A199-L203 PolarHBondContact O-N 2.9Å; V200-L203 PolarHBondContact O-N 2.78Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 2.92Å; L203-K206 PolarHBondContact O-N 2.93Å; L203-M207 HydrophobicContact CD1-CE 4.29Å; L203-M207 HydrophobicContact CD2-CE 4.38Å; L203-M207 HydrophobicContact CG-CE 4.19Å; L203-M207 WeakPolarHBondContact O-CG 3.21Å; L203-M207 PolarHBondContact O-N 3.45Å
204K77.6Confident70.1Confident154 Ų154104.7 Ų104.767%0.6757%0.567SS**Hα-helixtrans-61.1-41174.8-171.6176.5-178.41780111.9V200 L201 A208V200-K204 WeakPolarHBondContact O-CB 3.43Å; V200-K204 PolarHBondContact O-N 2.93Å; L201-K204 PolarHBondContact O-N 3.3Å; K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 2.92Å
205Q79.1Confident68.4Low133 Ų133108.5 Ų108.562%0.62159%0.588SS**Hα-helixtrans-66-42.3172.1-94.3-178.3-32.700112.6L201 Q202 L203 M207 A208 L209L201-Q205 PolarHBondContact O-N 3.46Å; Q202-Q205 PolarHBondContact O-N 2.88Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 2.92Å; Q205-M207 PolarHBondContact O-N 2.85Å; Q205-A208 PolarHBondContact O-N 3.29Å; Q205-L209 WeakPolarHBondContact O-CG 3.31Å; Q205-L209 PolarHBondContact O-N 3.44Å
206K77.6Confident66.5Low129 Ų129109.8 Ų109.856%0.56160%0.602SS**Hα-helixtrans-63.2-40.5176.3-75.2172.7-179.8176.70112Q202 L203 L209 L210Q202-K206 WeakPolarHBondContact O-CB 3.49Å; Q202-K206 WeakPolarHBondContact O-CG 3.05Å; Q202-K206 PolarHBondContact O-N 3.17Å; L203-K206 PolarHBondContact O-N 2.93Å; K206-L209 PolarHBondContact O-N 2.79Å; K206-L210 WeakPolarHBondContact O-CB 3.4Å; K206-L210 VanDerWaalsContact O-CG 3.3Å; K206-L210 WeakPolarHBondContact O-CG 3.45Å; K206-L210 PolarHBondContact O-N 3.36Å
207M71.2Confident64.8Low122 Ų122110.3 Ų110.360%0.60161%0.612SS**Hα-helixtrans-62.4-42.2172.6-65.2-122.2-168.600112L203 Q205 L210 S211L203-M207 HydrophobicContact CD1-CE 4.29Å; L203-M207 HydrophobicContact CD2-CE 4.38Å; L203-M207 HydrophobicContact CG-CE 4.19Å; L203-M207 WeakPolarHBondContact O-CG 3.21Å; L203-M207 PolarHBondContact O-N 3.45Å; Q205-M207 PolarHBondContact O-N 2.85Å; M207-L210 PolarHBondContact O-N 3.31Å; M207-S211 PolarHBondContact O-N 2.04Å
208A66.4Low62.7Low59 Ų59111.4 Ų111.449%0.48863%0.629SS.*Hα-helixtrans-65.6-36.2176.200000112.9K204 Q205 S211K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 2.92Å; Q205-A208 PolarHBondContact O-N 3.29Å; A208-S211 WeakPolarHBondContact O-CB 3.06Å; A208-S211 PolarHBondContact O-N 3.11Å
209L60.3Low60.4Low124 Ų124115.7 Ų115.765%0.64965%0.648SS**Hα-helixtrans-73.2-36176.3-70.2169.3000112.6Q205 K206 S211 N212Q205-L209 WeakPolarHBondContact O-CG 3.31Å; Q205-L209 PolarHBondContact O-N 3.44Å; K206-L209 PolarHBondContact O-N 2.79Å; L209-S211 PolarHBondContact O-N 2.86Å; L209-N212 PolarHBondContact O-N 3.01Å
210L57.6Low57.8Low137 Ų137121 Ų12172%0.71767%0.666SS**Hα-helixtrans-63.2-18.5171.6-74.8168000113.1K206 M207 N212K206-L210 WeakPolarHBondContact O-CB 3.4Å; K206-L210 VanDerWaalsContact O-CG 3.3Å; K206-L210 WeakPolarHBondContact O-CG 3.45Å; K206-L210 PolarHBondContact O-N 3.36Å; M207-L210 PolarHBondContact O-N 3.31Å; L210-N212 VanDerWaalsContact C-N 3.32Å
211S50.8Low55.3Low96 Ų96122.8 Ų122.867%0.67168%0.677SS**THydrogen-bonded Turntrans-79-12.7173.5-168.60000113.8M207 A208 L209M207-S211 PolarHBondContact O-N 2.04Å; A208-S211 WeakPolarHBondContact O-CB 3.06Å; A208-S211 PolarHBondContact O-N 3.11Å; L209-S211 PolarHBondContact O-N 2.86Å
212N52.5Low53.2Low141 Ų141125.3 Ų125.375%0.75469%0.691SS**SBendtrans-129.454.2-171.6-80.5-5.4000112L209 L210L209-N212 PolarHBondContact O-N 3.01Å; L210-N212 VanDerWaalsContact C-N 3.32Å
213S46.7Very low51.1Low95 Ų95128.8 Ų128.866%0.66471%0.707SS**  trans-133.771.9167.265.90000111.6
214A44Very low48.8Very low85 Ų85133.7 Ų133.770%0.70272%0.724SS**  trans-85.8161.2150.200000109.1
215D39.5Very low47.2Very low156 Ų156133.8 Ų133.883%0.83473%0.731SS**  trans66.5134.8-175-45.1-38.5000113.6
216V36.3Very low44.8Very low137 Ų137135.7 Ų135.783%0.8374%0.742SS**  cis-140.5-172.514.8-141.20000110.5
217P46.1Very low42.6Very low108 Ų108135.9 Ų135.970%0.70175%0.754SS**  -116.2161.2-107.641.6-27000117.2
218V31.6Very low40.8Very low151 Ų151135.2 Ų135.292%0.91576%0.761SS**  trans-138.5153.5148.5-176.40000108.5
219Q32.7Very low39.6Very low170 Ų170137.5 Ų137.579%0.79477%0.771SS**  trans-98166.5-167.7-59.2177.9-48.500115.3
220M27.5Very low38.5Very low168 Ų168138.2 Ų138.283%0.82878%0.78SS**  trans104129.5148.4-74-171.4172.200121.8
221T30Very low37.5Very low124 Ų124141.1 Ų141.176%0.76179%0.788SS**  trans72.196.6153.749.60000121.4
222N31.1Very low37Very low138 Ų138144.2 Ų144.274%0.73880%0.795SS**  63.1131.3129.6-70.428.2000123.1
223E34.1Very low36.7Very low181 Ų181143.3 Ų143.385%0.84680%0.798SS**  trans57.4106.1148.3-65.2179.7-148.400119.1
224K32.8Very low36.5Very low199 Ų199141.8 Ų141.887%0.86580%0.796SS**  -178.9145.294.1-171.1164.5-177.4175.10111.5
225I43.3Very low36.8Very low156 Ų156143.4 Ų143.480%0.880%0.8SS**  trans-77.5127.4172.3-61.6164.8000109.3
226M28.6Very low37.4Very low174 Ų174142.2 Ų142.286%0.85780%0.801SS**  trans-156.2145.1148.8-128.6160.471.500113.3
227T31.1Very low37.8Very low132 Ų132139.1 Ų139.181%0.8180%0.796SS**PPolyproline II helixtrans-77.1145.1-174.7-25.90000111.9
228S32.9Very low37.9Very low109 Ų109139 Ų13976%0.76280%0.798SS**PPolyproline II helixtrans-92.5133.9168.8-162.70000110.4
229P42Very low39Very low106 Ų106137.6 Ų137.669%0.68879%0.792SS**PPolyproline II helixtrans-78.5143.6179.331.8-34.4000112.2
230V37.6Very low39.7Very low139 Ų139132.5 Ų132.584%0.84279%0.785SS**PPolyproline II helixtrans-79.1136.9166.1174.60000108.9L232V230-L232 PolarHBondContact O-N 3.13Å
231F36.3Very low40.8Very low199 Ų199130 Ų13087%0.87378%0.782SS**PPolyproline II helixtrans-70.8121.2174.9-81.5-103.7000110.9
232L40.5Very low42.2Very low160 Ų160130.2 Ų130.284%0.83879%0.785SS**PPolyproline II helixtrans-74.6143163.2-72.2167.1000109.8V230 G234V230-L232 PolarHBondContact O-N 3.13Å; L232-G234 PolarHBondContact O-N 3.13Å
233P46.8Very low43.2Very low123 Ų123127 Ų12780%0.79978%0.784SS**PPolyproline II helixtrans-59126161.8-19.532.4000109.4
234G42.2Very low44Very low62 Ų62126.1 Ų126.164%0.63979%0.785SS**PPolyproline II helixtrans-65.7158.6176.300000112.2L232L232-G234 PolarHBondContact O-N 3.13Å
235P49.3Very low45.3Very low119 Ų119123.2 Ų123.277%0.77378%0.784SS**PPolyproline II helixtrans-58.6153.2171.827.5-35.1000110.6G237P235-G237 PolarHBondContact O-N 3.12Å
236P52.4Low45.8Very low132 Ų132118.2 Ų118.286%0.85777%0.771SS**PPolyproline II helixtrans-51.3128176.1-26.735000111.1S238P236-S238 PolarHBondContact O-N 2.86Å
237G44.6Very low47.1Very low71 Ų71116.2 Ų116.273%0.73277%0.771SS**PPolyproline II helixtrans-57.2140.3178.800000110.9P235P235-G237 PolarHBondContact O-N 3.12Å
238S47.6Very low48.6Very low105 Ų105116.8 Ų116.873%0.73477%0.774SS**PPolyproline II helixtrans-51.8146.4169.6530000110.2P236 G240P236-S238 PolarHBondContact O-N 2.86Å; S238-G240 PolarHBondContact O-N 3.06Å
239P56.5Low49.6Very low123 Ų123114 Ų11480%0.79976%0.763SS**  trans-45.5132.2174.6-28.835.3000111.1
240G47Very low50.4Low62 Ų62114.8 Ų114.864%0.63977%0.768SS**PPolyproline II helixtrans-54.7147.3-178.900000110.9S238S238-G240 PolarHBondContact O-N 3.06Å
241P50.2Low51.6Low117 Ų117114.2 Ų114.276%0.7677%0.767SS**PPolyproline II helixtrans-54.4145.7175.725.3-34.2000109.6G243P241-G243 PolarHBondContact O-N 3.18Å
242P59.9Low52.5Low127 Ų127108.2 Ų108.283%0.82576%0.761SS**PPolyproline II helixtrans-50.1127.7176.1-26.834.8000110.2
243G52.4Low53.2Low70 Ų70109 Ų10972%0.72277%0.765SS**PPolyproline II helixtrans-54.3145.6-176.600000111.7P241 T245P241-G243 PolarHBondContact O-N 3.18Å; G243-T245 PolarHBondContact O-N 3.35Å
244D49.9Very low53.7Low164 Ų164107.9 Ų107.988%0.87777%0.767SS**PPolyproline II helixtrans-48.3136.9-173-72.4-55.3000112.1G246D244-G246 PolarHBondContact O-N 3.42Å; D244-G246 VanDerWaalsContact O-N 3.08Å
245T60.2Low54.3Low138 Ų138108 Ų10885%0.84777%0.768SS**PPolyproline II helixtrans-59.7120-180-61.40000108.8G243G243-T245 PolarHBondContact O-N 3.35Å
246G54.6Low54.6Low51 Ų51108.1 Ų108.153%0.52677%0.769SS.*PPolyproline II helixtrans-51.4150-177.300000112.5D244 V248D244-G246 PolarHBondContact O-N 3.42Å; D244-G246 VanDerWaalsContact O-N 3.08Å; G246-V248 PolarHBondContact O-N 2.95Å
247P56Low55Low132 Ų132108 Ų10886%0.85777%0.768SS**PPolyproline II helixtrans-53.8131.3-169.721.8-33.8000111.3G249P247-G249 PolarHBondContact O-N 2.78Å; P247-G249 VanDerWaalsContact O-N 3.14Å
248V62.4Low55.5Low144 Ų144107.6 Ų107.687%0.87376%0.764SS**PPolyproline II helixtrans-56.8121.2179.4-179.40000108.6G246G246-V248 PolarHBondContact O-N 2.95Å
249G54Low55.9Low50 Ų50108.4 Ų108.452%0.51577%0.767SS.*PPolyproline II helixtrans-56.5150.7-179.600000112P247P247-G249 PolarHBondContact O-N 2.78Å; P247-G249 VanDerWaalsContact O-N 3.14Å
250P57.4Low56.1Low122 Ų122108.8 Ų108.879%0.79277%0.769SS**PPolyproline II helixtrans-56.4141.1-178.124.3-34.2000110.7G252P250-G252 PolarHBondContact O-N 3.06Å
251P62.5Low56.5Low128 Ų128108.9 Ų108.983%0.83177%0.77SS**PPolyproline II helixtrans-52.8131.9178.3-27.635.2000111.8
252G56.3Low56.7Low73 Ų73109.7 Ų109.775%0.75378%0.775SS**PPolyproline II helixtrans-57.9143.3176.700000111.4P250 A254P250-G252 PolarHBondContact O-N 3.06Å; G252-A254 PolarHBondContact O-N 3.35Å
253L54.1Low56.6Low175 Ų175115.1 Ų115.192%0.91678%0.779SS**PPolyproline II helixtrans-54.6132.9179.2-67.9172.1000110.6G255L253-G255 PolarHBondContact O-N 3.5Å
254A57.2Low56.8Low101 Ų101115 Ų11584%0.83578%0.778SS**PPolyproline II helixtrans-58.5130.2178.600000110.5G252G252-A254 PolarHBondContact O-N 3.35Å
255G54.8Low56.9Low64 Ų64115.7 Ų115.766%0.6678%0.781SS**PPolyproline II helixtrans-61.3149.6179.800000112.2L253L253-G255 PolarHBondContact O-N 3.5Å
256P56.1Low56.6Low122 Ų122116.9 Ų116.979%0.79278%0.779SS**PPolyproline II helixtrans-60.7146.3178.626.3-34.6000111G258P256-G258 PolarHBondContact O-N 3.42Å
257P60.5Low56.6Low129 Ų129116.9 Ų116.984%0.83878%0.779SS**PPolyproline II helixtrans-54137176.7-26.735.1000112.3
258G55.3Low56.6Low63 Ų63117 Ų11765%0.64978%0.78SS**PPolyproline II helixtrans-60.7148.917800000112.3P256P256-G258 PolarHBondContact O-N 3.42Å
259P55.9Low56.4Low122 Ų122117.5 Ų117.579%0.79278%0.776SS**PPolyproline II helixtrans-61.9145-179.126.1-34.6000111.2G261P259-G261 PolarHBondContact O-N 3.19Å
260P61.7Low56.3Low131 Ų131117.7 Ų117.785%0.85178%0.778SS**PPolyproline II helixtrans-55.1133176.2-26.434.9000112
261G54.4Low56.3Low64 Ų64118.1 Ų118.166%0.6678%0.781SS**PPolyproline II helixtrans-60.1150.8-179.300000112.9P259 R263P259-G261 PolarHBondContact O-N 3.19Å; G261-R263 PolarHBondContact O-N 3.25Å
262P54.4Low56Low134 Ų134118.8 Ų118.887%0.8778%0.782SS**PPolyproline II helixtrans-59.8130.8-17725-34.2000111.1G264P262-G264 PolarHBondContact O-N 2.95Å
263R59.4Low55.7Low241 Ų241120.5 Ų120.591%0.90978%0.78SS**PPolyproline II helixtrans-65.6120.9178.9-175.7172.9178.8166.6-3.8109.5G261G261-R263 PolarHBondContact O-N 3.25Å
264G54.9Low55.3Low68 Ų68119.6 Ų119.670%0.70178%0.777SS**PPolyproline II helixtrans-52.9141.818000000112.8P262P262-G264 PolarHBondContact O-N 2.95Å
265L53.4Low55.3Low177 Ų177121.6 Ų121.693%0.92777%0.773SS**PPolyproline II helixtrans-58.3137.4-176.5-63.5175.6000111.2
266M52.5Low55.1Low164 Ų164127.9 Ų127.981%0.80878%0.782SS**PPolyproline II helixtrans-71.1130.5175.6-170.7167.96900109.5
267G55.5Low54.9Low51 Ų51130 Ų13053%0.52678%0.781SS.*PPolyproline II helixtrans-61.6158.2176.800000112.7
268P56.6Low54.4Low135 Ų135130.8 Ų130.888%0.87778%0.777SS**PPolyproline II helixtrans-59.8141.1-177.725.4-34.5000111.8G270P268-G270 PolarHBondContact O-N 3.36Å
269I57.6Low53.9Low153 Ų153136.7 Ų136.779%0.78578%0.784SS**PPolyproline II helixtrans-73.3120.6179.3-62.6173.3000108.6
270G50.8Low53.7Low55 Ų55142.9 Ų142.957%0.56779%0.792SS**PPolyproline II helixtrans-69.8157.4172.700000112.3P268P268-G270 PolarHBondContact O-N 3.36Å
271P59Low53.4Low131 Ų131139.4 Ų139.485%0.85178%0.779SS**PPolyproline II helixtrans-60.5153.3-179.325.5-34.3000112.6
272T56.2Low53.5Low141 Ų141142.7 Ų142.787%0.86579%0.789SS**PPolyproline II helixtrans-60.1130.6-174.138.30000112.9
273P49.4Very low53.6Low109 Ų109147.2 Ų147.271%0.70879%0.789SS**PPolyproline II helixtrans-84.8150.8-178.734.7-35.5000112.5
274D46.3Very low53.3Low157 Ų157138.2 Ų138.284%0.8477%0.771SS**PPolyproline II helixtrans-78.8146.2161.7-164.21.2000110.1F276D274-F276 PolarHBondContact O-N 3.03Å
275L56.6Low53.2Low143 Ų143141.1 Ų141.175%0.74978%0.778SS**SBendtrans-90.290.8-174.8-86.977.8000111.1
276F50.8Low53.4Low195 Ų195140 Ų14086%0.85577%0.772SS**SBend-173.6136.9127.7-97.1-67.2000109.9D274D274-F276 PolarHBondContact O-N 3.03Å
277H51.2Low53.5Low167 Ų167135 Ų13577%0.77376%0.763SS**SBendtrans84.5108.6-175.2-51.787.9000117.6
278I51Low53.4Low146 Ų146138.4 Ų138.475%0.74978%0.776SS**  trans70.7133.6141.7-61.5169.3000117.1
279K43.7Very low53.5Low187 Ų187137.9 Ų137.981%0.81377%0.772SS**  cis-154.4152.7-19.2-106.8176.3-170.1175.80105.8G281K279-G281 PolarHBondContact O-N 3.42Å; K279-G281 VanDerWaalsContact O-N 3.13Å
280R52.5Low53.3Low252 Ų252134.1 Ų134.195%0.95177%0.771SS**  trans-66115.1172-168.1177.7-170.2174.54.8109.2
281G55.9Low53.4Low57 Ų57135.8 Ų135.859%0.58878%0.78SS**PPolyproline II helixtrans-60.3154.4-178.700000112.9K279 R283K279-G281 PolarHBondContact O-N 3.42Å; K279-G281 VanDerWaalsContact O-N 3.13Å; G281-R283 PolarHBondContact O-N 3.03Å
282P55.2Low53.5Low133 Ų133135.5 Ų135.586%0.86478%0.778SS**PPolyproline II helixtrans-60139178.526.1-34000110.5G284P282-G284 PolarHBondContact O-N 2.03Å
283R56.7Low53.6Low229 Ų229132.1 Ų132.186%0.86477%0.771SS**PPolyproline II helixtrans-61.1126.7171.2-177.3175.5179.5165.1-1.6107.9G281G281-R283 PolarHBondContact O-N 3.03Å
284G53.8Low53.9Low52 Ų52138.8 Ų138.854%0.53678%0.782SS.*PPolyproline II helixtrans-53.5151.7176.600000111.8P282P282-G284 PolarHBondContact O-N 2.03Å
285P52Low54.3Low130 Ų130138.9 Ų138.984%0.84478%0.782SS**PPolyproline II helixtrans-54.9144.3-175.423.9-34.3000110.9
286L58.8Low54.3Low152 Ų152135.4 Ų135.480%0.79678%0.782SS**PPolyproline II helixtrans-61.7140.6166.7-71.292.5000108.1
287G53.4Low54.4Low61 Ų61134.5 Ų134.563%0.62979%0.785SS**PPolyproline II helixtrans-57.9153.317300000110.8
288P53.7Low54.6Low121 Ų121136.3 Ų136.379%0.78679%0.79SS**PPolyproline II helixtrans-56.1149.8176.725.8-34.7000110.4G290P288-G290 PolarHBondContact O-N 3.25Å
289P58.4Low54.9Low125 Ų125132.4 Ų132.481%0.81279%0.786SS**PPolyproline II helixtrans-50.3142.5172.3-26.335000111.1A291P289-A291 PolarHBondContact O-N 2.91Å
290G54.8Low55.5Low73 Ų73132.7 Ų132.775%0.75379%0.79SS**PPolyproline II helixtrans-54.7139.4173.500000110.2P288P288-G290 PolarHBondContact O-N 3.25Å
291A52.5Low55.8Low91 Ų91131.7 Ų131.775%0.75279%0.787SS**PPolyproline II helixtrans-54.4141.9179.900000110.4P289 G293P289-A291 PolarHBondContact O-N 2.91Å; A291-G293 PolarHBondContact O-N 3.12Å
292P61.4Low55.7Low125 Ų125131.9 Ų131.981%0.81279%0.789SS**PPolyproline II helixtrans-49.4140.4174.8-28.135.5000111.5R294P292-R294 PolarHBondContact O-N 3.16Å
293G57.2Low55.7Low70 Ų70129.9 Ų129.972%0.72278%0.783SS**PPolyproline II helixtrans-55.7139.2173.500000109.8A291 D295A291-G293 PolarHBondContact O-N 3.12Å; G293-D295 PolarHBondContact O-N 2.94Å
294R56Low56.3Low249 Ų249124.7 Ų124.794%0.9478%0.779SS**PPolyproline II helixtrans-59133.7175.6-69.3-177.8174.7-172.5-2.7109P292 G296P292-R294 PolarHBondContact O-N 3.16Å; R294-G296 PolarHBondContact O-N 3.08Å
295D55.6Low56.5Low158 Ų158125.1 Ų125.185%0.84578%0.783SS**PPolyproline II helixtrans-52137.2172.1-63.2-65.4000110.1G293 L297G293-D295 PolarHBondContact O-N 2.94Å; D295-L297 PolarHBondContact O-N 2.74Å
296G55.4Low56.7Low71 Ų71125.1 Ų125.173%0.73278%0.784SS**PPolyproline II helixtrans-57.5140178.300000110.4R294 K298R294-G296 PolarHBondContact O-N 3.08Å; G296-K298 PolarHBondContact O-N 3.28Å
297L54.3Low57.2Low176 Ų176122.5 Ų122.592%0.92178%0.784SS**PPolyproline II helixtrans-52.4120.5177.3-69175.2000109.1D295 G299D295-L297 PolarHBondContact O-N 2.74Å; L297-G299 PolarHBondContact O-N 3.07Å
298K55Low57.3Low204 Ų204122.4 Ų122.489%0.88778%0.782SS**PPolyproline II helixtrans-55.4116.7176.4177.9173.1-179.41720108G296 E300G296-K298 PolarHBondContact O-N 3.28Å; K298-E300 PolarHBondContact O-N 3.08Å
299G56.5Low57.3Low64 Ų64122.4 Ų122.466%0.6678%0.782SS**PPolyproline II helixtrans-49.9139.1-177.800000111.2L297 R301L297-G299 PolarHBondContact O-N 3.07Å; G299-R301 PolarHBondContact O-N 3.09Å
300E57.1Low57.7Low193 Ų193122.4 Ų122.490%0.90278%0.783SS**PPolyproline II helixtrans-55.4138.6-175.9-62.8-169.9138.500110.3K298 G302K298-E300 PolarHBondContact O-N 3.08Å; E300-G302 PolarHBondContact O-N 3.14Å; E300-G302 VanDerWaalsContact O-N 3.08Å
301R57.8Low57.7Low232 Ų232121.9 Ų121.988%0.87578%0.777SS**PPolyproline II helixtrans-61.7118.8172.7-176.7-169.8-63-171.60.6106.5G299 A303G299-R301 PolarHBondContact O-N 3.09Å; R301-A303 PolarHBondContact O-N 2.75Å
302G55.3Low57.7Low61 Ų61123.3 Ų123.363%0.62978%0.778SS**PPolyproline II helixtrans-47.3136.9174.500000110.3E300E300-G302 PolarHBondContact O-N 3.14Å; E300-G302 VanDerWaalsContact O-N 3.08Å
303A54.9Low57.4Low91 Ų91123.6 Ų123.675%0.75278%0.781SS**PPolyproline II helixtrans-50.7137.1-175.100000110.2R301 G305R301-A303 PolarHBondContact O-N 2.75Å; A303-G305 PolarHBondContact O-N 3.22Å
304P68.9Low57.3Low119 Ų119123 Ų12377%0.77378%0.775SS**PPolyproline II helixtrans-50.1135.6173.1-25.934.6000109.8
305G56.6Low57.5Low61 Ų61115.5 Ų115.563%0.62976%0.76SS**PPolyproline II helixtrans-53.1147.7174.200000110.2A303 A307A303-G305 PolarHBondContact O-N 3.22Å; G305-A307 PolarHBondContact O-N 3.34Å
306P58.2Low57.3Low131 Ų131114.9 Ų114.985%0.85175%0.75SS**PPolyproline II helixtrans-52.9131.8-179.123.5-33.8000109.1G308P306-G308 PolarHBondContact O-N 3.19Å
307A67.6Low57.3Low97 Ų97117.6 Ų117.680%0.80275%0.748SS**PPolyproline II helixtrans-54.1136.2173.500000108.5G305G305-A307 PolarHBondContact O-N 3.34Å
308G55.8Low57.5Low58 Ų58114.1 Ų114.160%0.59873%0.725SS**PPolyproline II helixtrans-53.7151.5173.300000110.3P306P306-G308 PolarHBondContact O-N 3.19Å
309P53.3Low58Low121 Ų121107.8 Ų107.879%0.78670%0.701SS**PPolyproline II helixtrans-51.4139.2177.623.7-34.1000109.2G311P309-G311 PolarHBondContact O-N 3.23Å
310P67.3Low58.5Low126 Ų126109.3 Ų109.382%0.81869%0.693SS**PPolyproline II helixtrans-49132.6178.9-28.134.8000110.4
311G54.3Low58.8Low61 Ų61105.9 Ų105.963%0.62968%0.681SS**PPolyproline II helixtrans-52.8146.3171.700000109.6P309P309-G311 PolarHBondContact O-N 3.23Å
312P52.7Low59.5Low121 Ų12197.9 Ų97.979%0.78666%0.655SS**SBendtrans-51.3138.7-178.523.4-34.3000109.4G314P312-G314 PolarHBondContact O-N 2.81Å
313P56.2Low60.4Low132 Ų13299.8 Ų99.886%0.85765%0.649SS**  trans-53.7112.5-166.419.5-32.3000110.5
314G55.3Low60.9Low58 Ų5897 Ų9760%0.59863%0.626SS**  trans-60.6168.3175.200000110.9P312 F316P312-G314 PolarHBondContact O-N 2.81Å; G314-F316 PolarHBondContact O-N 3.01Å
315S59.5Low61Low91 Ų9196.4 Ų96.464%0.63662%0.616SS**THydrogen-bonded Turntrans-68.834.5-172.959.60000115.2D317 F318 L319S315-D317 VanDerWaalsContact C-N 3.34Å; S315-F318 CarbonylContact O-C 3.51Å; S315-F318 WeakPolarHBondContact O-CB 3.37Å; S315-F318 PolarHBondContact O-N 2.87Å; S315-L319 PolarHBondContact O-N 3.38Å
316F50.5Low62Low144 Ų14497.1 Ų97.163%0.63261%0.605SS**Hα-helixtrans-69.2-33.6175-146.2-87.4000111.6G314 F318 L319 L320G314-F316 PolarHBondContact O-N 3.01Å; F316-F318 VanDerWaalsContact C-N 3.32Å; F316-L319 HydrophobicContact CD2-CD2 4.47Å; F316-L319 HydrophobicContact CE2-CD2 4.22Å; F316-L319 HydrophobicContact CZ-CD2 4.41Å; F316-L319 WeakPolarHBondContact O-CB 3.48Å; F316-L319 PolarHBondContact O-N 2.83Å; F316-L320 HydrophobicContact CD1-CD1 4.33Å; F316-L320 HydrophobicContact CD1-CG 4.48Å; F316-L320 WeakPolarHBondContact O-CG 3.47Å; F316-L320 PolarHBondContact O-N 2.64Å
317D57.1Low62.7Low128 Ų12898.4 Ų98.468%0.68459%0.593SS**Hα-helixtrans-65-38.7171.3-135.641000110.9S315 L320 L321S315-D317 VanDerWaalsContact C-N 3.34Å; D317-L320 WeakPolarHBondContact O-CB 3.29Å; D317-L320 PolarHBondContact O-N 3.21Å; D317-L321 WeakPolarHBondContact O-CB 3.43Å; D317-L321 PolarHBondContact O-N 2.79Å
318F58.2Low63Low103 Ų10398.7 Ų98.745%0.45258%0.581SS.*Hα-helixtrans-67.9-33.9170169.7-92.5000112.7S315 F316 L320 L321 L322S315-F318 CarbonylContact O-C 3.51Å; S315-F318 WeakPolarHBondContact O-CB 3.37Å; S315-F318 PolarHBondContact O-N 2.87Å; F316-F318 VanDerWaalsContact C-N 3.32Å; F318-L320 VanDerWaalsContact C-N 3.34Å; F318-L321 PolarHBondContact O-N 2.86Å; F318-L322 HydrophobicContact CE1-CD2 4.21Å; F318-L322 WeakPolarHBondContact O-CB 3.42Å; F318-L322 PolarHBondContact O-N 2.8Å
319L64.6Low64.1Low72 Ų72100.7 Ų100.738%0.37758%0.578SS.*Hα-helixtrans-64.1-40.2171.1179.762.1000111S315 F316 M323S315-L319 PolarHBondContact O-N 3.38Å; F316-L319 HydrophobicContact CD2-CD2 4.47Å; F316-L319 HydrophobicContact CE2-CD2 4.22Å; F316-L319 HydrophobicContact CZ-CD2 4.41Å; F316-L319 WeakPolarHBondContact O-CB 3.48Å; F316-L319 PolarHBondContact O-N 2.83Å; L319-M323 HydrophobicContact CD1-CE 4.08Å; L319-M323 HydrophobicContact CD1-CG 4.29Å; L319-M323 HydrophobicContact CG-CG 4.5Å; L319-M323 WeakPolarHBondContact O-CB 3.37Å; L319-M323 WeakPolarHBondContact O-CG 3.31Å; L319-M323 PolarHBondContact O-N 2.96Å
320L67.6Low65.2Low95 Ų9598.9 Ų98.950%0.49756%0.561SS.*Hα-helixtrans-66.4-40.3174-72167.1000112F316 D317 F318 M323 A324F316-L320 HydrophobicContact CD1-CD1 4.33Å; F316-L320 HydrophobicContact CD1-CG 4.48Å; F316-L320 WeakPolarHBondContact O-CG 3.47Å; F316-L320 PolarHBondContact O-N 2.64Å; D317-L320 WeakPolarHBondContact O-CB 3.29Å; D317-L320 PolarHBondContact O-N 3.21Å; F318-L320 VanDerWaalsContact C-N 3.34Å; L320-M323 PolarHBondContact O-N 3.06Å; L320-A324 WeakPolarHBondContact O-CB 3.49Å; L320-A324 PolarHBondContact O-N 2.04Å
321L63.5Low65.3Low121 Ų12195.4 Ų95.463%0.63454%0.542SS*.Hα-helixtrans-65.4-45.9175.7-139.573.2000111.6D317 F318 A324 D325D317-L321 WeakPolarHBondContact O-CB 3.43Å; D317-L321 PolarHBondContact O-N 2.79Å; F318-L321 PolarHBondContact O-N 2.86Å; L321-A324 WeakPolarHBondContact O-CA 3.39Å; L321-A324 WeakPolarHBondContact O-CB 3.21Å; L321-A324 PolarHBondContact O-N 2.71Å; L321-D325 PolarHBondContact O-N 2.98Å
322L72.9Confident66.2Low65 Ų6596.6 Ų96.634%0.3453%0.534SS..Hα-helixtrans-64.2-39.8175.5-177.664.7000111.3F318 A324 D325 I326F318-L322 HydrophobicContact CE1-CD2 4.21Å; F318-L322 WeakPolarHBondContact O-CB 3.42Å; F318-L322 PolarHBondContact O-N 2.8Å; L322-A324 VanDerWaalsContact C-N 3.27Å; L322-A324 PolarHBondContact O-N 2.92Å; L322-D325 PolarHBondContact O-N 2.87Å; L322-I326 HydrophobicContact CD1-CD1 4.01Å; L322-I326 HydrophobicContact CD1-CG1 4.31Å; L322-I326 HydrophobicContact CG-CD1 3.83Å; L322-I326 HydrophobicContact CG-CG1 4.49Å; L322-I326 VanDerWaalsContact O-CB 3.29Å; L322-I326 WeakPolarHBondContact O-CB 2.98Å; L322-I326 WeakPolarHBondContact O-CG1 3.19Å; L322-I326 PolarHBondContact O-N 3.42Å
323M72.5Confident66.9Low100 Ų10095.9 Ų95.949%0.49352%0.524SS..Hα-helixtrans-66.3-26.4171.6-74.1-81.8173.800112.4L319 L320 R327L319-M323 HydrophobicContact CD1-CE 4.08Å; L319-M323 HydrophobicContact CD1-CG 4.29Å; L319-M323 HydrophobicContact CG-CG 4.5Å; L319-M323 WeakPolarHBondContact O-CB 3.37Å; L319-M323 WeakPolarHBondContact O-CG 3.31Å; L319-M323 PolarHBondContact O-N 2.96Å; L320-M323 PolarHBondContact O-N 3.06Å; M323-R327 WeakPolarHBondContact O-CB 3.02Å; M323-R327 VanDerWaalsContact O-CG 3.29Å; M323-R327 WeakPolarHBondContact O-CG 3.4Å; M323-R327 PolarHBondContact O-N 2.94Å; M323-R327 PolarHBondContact O-NE 3.14Å
324A65.7Low67.4Low34 Ų3494.8 Ų94.828%0.28151%0.507SS..Hα-helixtrans-76.5-48.2172.300000111.5L320 L321 L322 I326 R327 N328L320-A324 WeakPolarHBondContact O-CB 3.49Å; L320-A324 PolarHBondContact O-N 2.04Å; L321-A324 WeakPolarHBondContact O-CA 3.39Å; L321-A324 WeakPolarHBondContact O-CB 3.21Å; L321-A324 PolarHBondContact O-N 2.71Å; L322-A324 VanDerWaalsContact C-N 3.27Å; L322-A324 PolarHBondContact O-N 2.92Å; A324-I326 PolarHBondContact O-N 3.24Å; A324-R327 PolarHBondContact O-N 2.64Å; A324-N328 PolarHBondContact O-N 3.31Å; A324-N328 PolarHBondContact O-ND2 3.32Å
325D72.1Confident68Low105 Ų10594.6 Ų94.656%0.56150%0.497SS*.Hα-helixtrans-59.3-46.7176.5-11515.3000111.2L321 L322 R327 N328 D329L321-D325 PolarHBondContact O-N 2.98Å; L322-D325 PolarHBondContact O-N 2.87Å; D325-R327 VanDerWaalsContact C-N 3.32Å; D325-R327 PolarHBondContact O-N 3.11Å; D325-N328 PolarHBondContact O-N 2.87Å; D325-N328 VanDerWaalsContact O-N 3.16Å; D325-D329 WeakPolarHBondContact O-CB 3.48Å; D325-D329 PolarHBondContact O-N 3.35Å
326I76.4Confident68.7Low77 Ų7796.9 Ų96.940%0.39550%0.495SS..Hα-helixtrans-61.4-37.9176.4-70.6170000111.8L322 A324 I330L322-I326 HydrophobicContact CD1-CD1 4.01Å; L322-I326 HydrophobicContact CD1-CG1 4.31Å; L322-I326 HydrophobicContact CG-CD1 3.83Å; L322-I326 HydrophobicContact CG-CG1 4.49Å; L322-I326 VanDerWaalsContact O-CB 3.29Å; L322-I326 WeakPolarHBondContact O-CB 2.98Å; L322-I326 WeakPolarHBondContact O-CG1 3.19Å; L322-I326 PolarHBondContact O-N 3.42Å; A324-I326 PolarHBondContact O-N 3.24Å; I326-I330 HydrophobicContact CG2-CD1 3.7Å; I326-I330 HydrophobicContact CG2-CG1 4.39Å; I326-I330 WeakPolarHBondContact O-CB 3.42Å; I326-I330 WeakPolarHBondContact O-CD1 3.43Å; I326-I330 WeakPolarHBondContact O-CG1 3.37Å; I326-I330 PolarHBondContact O-N 2.99Å
327R73.4Confident69.5Low158 Ų15895.1 Ų95.160%0.59650%0.496SS*.Hα-helixtrans-68.1-38.9175.9-82.6178.6-68.4173.10.9111.9M323 A324 D325 A331M323-R327 WeakPolarHBondContact O-CB 3.02Å; M323-R327 VanDerWaalsContact O-CG 3.29Å; M323-R327 WeakPolarHBondContact O-CG 3.4Å; M323-R327 PolarHBondContact O-N 2.94Å; M323-R327 PolarHBondContact O-NE 3.14Å; A324-R327 PolarHBondContact O-N 2.64Å; D325-R327 VanDerWaalsContact C-N 3.32Å; D325-R327 PolarHBondContact O-N 3.11Å; R327-A331 PolarHBondContact O-N 3.44Å
328N74.7Confident69.9Low103 Ų10397.8 Ų97.855%0.55150%0.497SS*.Hα-helixtrans-65.2-50.8174.3-68.2-24.6000110.7A324 D325 I330 A331 D332A324-N328 PolarHBondContact O-N 3.31Å; A324-N328 PolarHBondContact O-ND2 3.32Å; D325-N328 PolarHBondContact O-N 2.87Å; D325-N328 VanDerWaalsContact O-N 3.16Å; N328-I330 VanDerWaalsContact C-N 3.3Å; N328-I330 PolarHBondContact O-N 3.32Å; N328-A331 PolarHBondContact O-N 3.37Å; N328-A331 VanDerWaalsContact O-N 3.11Å; N328-D332 WeakPolarHBondContact O-CB 3.47Å; N328-D332 PolarHBondContact O-N 3.39Å
329D77.6Confident69.7Low100 Ų10095.7 Ų95.754%0.53551%0.505SS..Hα-helixtrans-57.8-39.7176.9-88.8-9.7000112.1D325 D332 L333D325-D329 WeakPolarHBondContact O-CB 3.48Å; D325-D329 PolarHBondContact O-N 3.35Å; D329-D332 PolarHBondContact O-N 3.1Å; D329-L333 VanDerWaalsContact O-CB 3.3Å; D329-L333 WeakPolarHBondContact O-CB 3.07Å; D329-L333 WeakPolarHBondContact O-CD1 3.29Å; D329-L333 WeakPolarHBondContact O-CG 3.29Å; D329-L333 PolarHBondContact O-N 3.06Å
330I76.9Confident69Low82 Ų82102.6 Ų102.642%0.42153%0.526SS..Hα-helixtrans-64.6-45.2174.9-73.2167.7000111.2I326 N328 D332 L333 Q334I326-I330 HydrophobicContact CG2-CD1 3.7Å; I326-I330 HydrophobicContact CG2-CG1 4.39Å; I326-I330 WeakPolarHBondContact O-CB 3.42Å; I326-I330 WeakPolarHBondContact O-CD1 3.43Å; I326-I330 WeakPolarHBondContact O-CG1 3.37Å; I326-I330 PolarHBondContact O-N 2.99Å; N328-I330 VanDerWaalsContact C-N 3.3Å; N328-I330 PolarHBondContact O-N 3.32Å; I330-D332 VanDerWaalsContact C-N 3.3Å; I330-D332 PolarHBondContact O-N 3.37Å; I330-L333 PolarHBondContact O-N 3.47Å; I330-Q334 HydrophobicContact CG2-CG 4.38Å; I330-Q334 WeakPolarHBondContact O-CB 3.07Å; I330-Q334 VanDerWaalsContact O-CG 3.24Å; I330-Q334 WeakPolarHBondContact O-CG 3.38Å; I330-Q334 PolarHBondContact O-N 3.05Å
331A69.2Low67.9Low53 Ų53103.5 Ų103.544%0.43854%0.538SS..Hα-helixtrans-63.4-37.817600000111.7R327 N328 Q334 S335R327-A331 PolarHBondContact O-N 3.44Å; N328-A331 PolarHBondContact O-N 3.37Å; N328-A331 VanDerWaalsContact O-N 3.11Å; A331-Q334 PolarHBondContact O-N 3.45Å; A331-S335 WeakPolarHBondContact O-CB 3.44Å; A331-S335 PolarHBondContact O-N 3.08Å; A331-S335 PolarHBondContact O-OG 3.46Å
332D73.4Confident66.6Low86 Ų86107 Ų10746%0.4655%0.553SS.*Hα-helixtrans-77.4-21.4-179.8-13546.6000112.8N328 D329 I330 S335 K336N328-D332 WeakPolarHBondContact O-CB 3.47Å; N328-D332 PolarHBondContact O-N 3.39Å; D329-D332 PolarHBondContact O-N 3.1Å; I330-D332 VanDerWaalsContact C-N 3.3Å; I330-D332 PolarHBondContact O-N 3.37Å; D332-S335 PolarHBondContact O-OG 3.49Å; D332-K336 VanDerWaalsContact CG-NZ 3.25Å; D332-K336 WeakPolarHBondContact O-CD 3Å; D332-K336 WeakPolarHBondContact O-CE 3.35Å; D332-K336 WeakPolarHBondContact O-CG 3.33Å; D332-K336 PolarHBondContact O-NZ 3.44Å; D332-K336 IonicContact OD2-NZ 3.89Å; D332-K336 PolarHBondContact OD2-NZ 3.49Å
333L68.3Low65Low107 Ų107111.4 Ų111.456%0.5657%0.572SS**Hα-helixtrans-82.1-41168-75.2166.3000111D329 I330 S335 K336 V337D329-L333 VanDerWaalsContact O-CB 3.3Å; D329-L333 WeakPolarHBondContact O-CB 3.07Å; D329-L333 WeakPolarHBondContact O-CD1 3.29Å; D329-L333 WeakPolarHBondContact O-CG 3.29Å; D329-L333 PolarHBondContact O-N 3.06Å; I330-L333 PolarHBondContact O-N 3.47Å; L333-S335 PolarHBondContact O-N 3.42Å; L333-K336 PolarHBondContact O-N 3.49Å; L333-V337 WeakPolarHBondContact O-CB 3.26Å; L333-V337 WeakPolarHBondContact O-CG2 3.44Å; L333-V337 PolarHBondContact O-N 3.34Å
334Q66.6Low63.3Low109 Ų109111 Ų11151%0.50958%0.579SS.*Hα-helixtrans-61.8-41.9174.7-75.9173.3-10.900111.6I330 A331 K336 V337 Y338I330-Q334 HydrophobicContact CG2-CG 4.38Å; I330-Q334 WeakPolarHBondContact O-CB 3.07Å; I330-Q334 VanDerWaalsContact O-CG 3.24Å; I330-Q334 WeakPolarHBondContact O-CG 3.38Å; I330-Q334 PolarHBondContact O-N 3.05Å; A331-Q334 PolarHBondContact O-N 3.45Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.45Å; Q334-V337 PolarHBondContact O-N 3.37Å; Q334-Y338 HydrophobicContact CB-CD2 4.26Å; Q334-Y338 HydrophobicContact CG-CD2 4.49Å; Q334-Y338 HydrophobicContact CG-CE2 4.44Å; Q334-Y338 WeakPolarHBondContact O-CB 3.03Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.41Å; Q334-Y338 PolarHBondContact O-N 3.34Å
335S66.9Low61.9Low54 Ų54115.6 Ų115.638%0.37861%0.605SS.*Hα-helixtrans-63.7-36.9175.969.60000112.5A331 D332 L333 G339A331-S335 WeakPolarHBondContact O-CB 3.44Å; A331-S335 PolarHBondContact O-N 3.08Å; A331-S335 PolarHBondContact O-OG 3.46Å; D332-S335 PolarHBondContact O-OG 3.49Å; L333-S335 PolarHBondContact O-N 3.42Å; S335-G339 WeakPolarHBondContact O-CA 3.32Å; S335-G339 PolarHBondContact O-N 3.38Å
336K73.8Confident60.2Low139 Ų139119 Ų11960%0.60462%0.618SS**Hα-helixtrans-74.8-28.5177-68.6173.1-163.3111.80113.8D332 L333 Q334D332-K336 VanDerWaalsContact CG-NZ 3.25Å; D332-K336 WeakPolarHBondContact O-CD 3Å; D332-K336 WeakPolarHBondContact O-CE 3.35Å; D332-K336 WeakPolarHBondContact O-CG 3.33Å; D332-K336 PolarHBondContact O-NZ 3.44Å; D332-K336 IonicContact OD2-NZ 3.89Å; D332-K336 PolarHBondContact OD2-NZ 3.49Å; L333-K336 PolarHBondContact O-N 3.49Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 3.45Å
337V67.9Low58.5Low106 Ų106124.2 Ų124.264%0.64264%0.641SS**Hα-helixtrans-87.5-39.3178.3171.60000112.4L333 Q334L333-V337 WeakPolarHBondContact O-CB 3.26Å; L333-V337 WeakPolarHBondContact O-CG2 3.44Å; L333-V337 PolarHBondContact O-N 3.34Å; Q334-V337 PolarHBondContact O-N 3.37Å
338Y65.9Low56.6Low184 Ų184124.5 Ų124.572%0.72265%0.654SS**Hα-helixtrans-102.2-7.5-175.5-60.8-70.3000114.3Q334 R340Q334-Y338 HydrophobicContact CB-CD2 4.26Å; Q334-Y338 HydrophobicContact CG-CD2 4.49Å; Q334-Y338 HydrophobicContact CG-CE2 4.44Å; Q334-Y338 WeakPolarHBondContact O-CB 3.03Å; Q334-Y338 WeakPolarHBondContact O-CD2 3.41Å; Q334-Y338 PolarHBondContact O-N 3.34Å; Y338-R340 VanDerWaalsContact C-N 3.33Å; Y338-R340 PolarHBondContact O-N 3.27Å; Y338-R340 VanDerWaalsContact O-N 3.12Å
339G54Low54.5Low59 Ų59127.1 Ų127.161%0.60867%0.667SS**  trans75.7-1.4156.200000118.1S335S335-G339 WeakPolarHBondContact O-CA 3.32Å; S335-G339 PolarHBondContact O-N 3.38Å
340R49.1Very low52.4Low217 Ų217127.9 Ų127.982%0.81968%0.677SS**SBendtrans-144149.2170.4-71.4-165.1178.3-147.7-0.7112.8Y338Y338-R340 VanDerWaalsContact C-N 3.33Å; Y338-R340 PolarHBondContact O-N 3.27Å; Y338-R340 VanDerWaalsContact O-N 3.12Å
341P44.9Very low50.3Low115 Ų115132.4 Ų132.475%0.74770%0.701SS**  trans-68.9143.3165.9-11.827.6000111H343P341-H343 PolarHBondContact O-N 3.13Å; P341-H343 VanDerWaalsContact O-N 3.16Å
342M36.8Very low48.7Very low194 Ų194134.1 Ų134.196%0.95672%0.715SS**  trans-74.398162-100.3-68.8-172.400108.9
343H39.3Very low46.9Very low158 Ų158136 Ų13673%0.73173%0.732SS**  trans-95.6140.1164.1-132.6-62000109.5P341P341-H343 PolarHBondContact O-N 3.13Å; P341-H343 VanDerWaalsContact O-N 3.16Å
344S35.8Very low45.1Very low91 Ų91139 Ų13964%0.63675%0.749SS**  trans-34120.3169.749.20000115.1E346S344-E346 PolarHBondContact O-N 3.3Å
345P37.3Very low43.5Very low130 Ų130138.3 Ų138.384%0.84476%0.756SS**  trans-8499.5160.632.5-28.7000109.4
346E36.9Very low41.8Very low178 Ų178147 Ų14783%0.83278%0.781SS**  trans-102134.7158.1-151.4168.9-178.200106.6S344S344-E346 PolarHBondContact O-N 3.3Å
347E39.4Very low39.8Very low186 Ų186151.2 Ų151.287%0.86979%0.793SS**SBendtrans56.586.4178.5-51.7-157.5124.300118
348D32.9Very low38Very low163 Ų163153.1 Ų153.187%0.87280%0.799SS**  -171113.9118.1-110.5-24.5000110.8
349I31.5Very low36.3Very low159 Ų159151.1 Ų151.182%0.81581%0.806SS**  trans-124.5112.2-179.4-58.8177.5000109.9
350P34.3Very low35.4Very low116 Ų116152.7 Ų152.775%0.75381%0.814SS**PPolyproline II helixtrans-65.9132.9167.3-19.432.8000111A352P350-A352 PolarHBondContact O-N 3.29Å
351L31.3Very low34.5Very low176 Ų176149.8 Ų149.892%0.92182%0.815SS**PPolyproline II helixtrans-57.8126.7-179.8-72159.7000112.3
352A35.8Very low33.8Very low89 Ų89149.4 Ų149.474%0.73681%0.814SS**PPolyproline II helixtrans-87.6148.6164.700000110.4P350P350-A352 PolarHBondContact O-N 3.29Å
353P35.4Very low33.7Very low125 Ų125147.5 Ų147.581%0.81281%0.807SS**PPolyproline II helixtrans-75.6151.5-172.2-16.732.3000114.8S355P353-S355 PolarHBondContact O-N 3.39Å; P353-S355 VanDerWaalsContact O-N 3.1Å
354D32.1Very low33.1Very low172 Ų172146.8 Ų146.892%0.9281%0.809SS**  trans-63103.5178.7-71.1-76.2000114.3
355S32.4Very low32.9Very low94 Ų94147 Ų14766%0.65782%0.816SS**  trans-167.5144.4139.260.80000108.2P353P353-S355 PolarHBondContact O-N 3.39Å; P353-S355 VanDerWaalsContact O-N 3.1Å
356W30.6Very low32.4Very low236 Ų236144.3 Ų144.389%0.89481%0.812SS**  cis-126.8143.510.3-6756.3000109.9
357R31.3Very low32.1Very low227 Ų227142.3 Ų142.386%0.85782%0.818SS**  trans-91.5166.2156-80.8-169.4177.4-139-0.3109.4
358D30.5Very low31.7Very low146 Ų146136.4 Ų136.478%0.78181%0.807SS**  trans69.3134.7175.7-41.9-38.7000112.8
359T30.5Very low31.7Very low142 Ų142137.7 Ų137.787%0.87181%0.807SS**  cis-151.2163.524.6-39.80000111.2
360A35.2Very low31.9Very low93 Ų93134.8 Ų134.877%0.76979%0.794SS**  trans116.993.2156.600000117.1
361D30.8Very low31.7Very low156 Ų156138.1 Ų138.183%0.83479%0.793SS**  trans-78.5151.7164.5-60.9-87.1000113.7
362S29.4Very low31.6Very low106 Ų106139 Ų13974%0.74179%0.789SS**  trans165.9121.6137.8-74.70000109.4
363L35.3Very low31.3Very low154 Ų154143 Ų14381%0.80679%0.793SS**  62.913077.3-60.7167.8000112.3
364D27.4Very low32Very low144 Ų144142 Ų14277%0.7779%0.786SS**  cis-132.5162.810.2-92.3-29.3000110.3
365A30.8Very low32.8Very low95 Ų95138.4 Ų138.479%0.78577%0.772SS**  cis97.1136.528.400000115.8
366G26.8Very low32.6Very low74 Ų74139 Ų13976%0.76378%0.776SS**  trans103.9114.1-174.800000113.2
367S29.7Very low32.8Very low135 Ų135135.5 Ų135.594%0.94477%0.77SS**  cis73.9130.325.1-150.80000114.4
368G32.1Very low32.8Very low62 Ų62130.8 Ų130.864%0.63977%0.766SS**  cis-176.8-144.62.200000113
369E32.9Very low32.7Very low190 Ų190127.3 Ų127.389%0.88877%0.765SS**  trans80.3139.5168.3-61.1-169.5-173.200120.9
370D34.4Very low32.6Very low98 Ų98133.1 Ų133.152%0.52477%0.771SS.*  cis-166.3163.8-32.9-130.9-33.7000116.4
371Y30.8Very low32.3Very low187 Ų187139 Ų13973%0.73377%0.773SS**  trans48.3150.4161.6-53.2-55000120.7
372K28.7Very low32.3Very low193 Ų193136.1 Ų136.184%0.83977%0.765SS**  cis-168.9156.735.2-146.2155.1-167.8166.10114
373E30.3Very low32.5Very low175 Ų175138.3 Ų138.382%0.81876%0.761SS**  trans-143.2-175.2168.3-122.1-158.3-177.700108
374P50Low32.5Very low103 Ų103141.2 Ų141.267%0.66976%0.762SS**  cis-120.6-117.5-14.124.22.6000109
375P48.1Very low32.7Very low97 Ų97140.3 Ų140.363%0.6376%0.757SS**  cis-139.1142.7-32.733.3-12000118
376S29.1Very low33Very low107 Ų107144.5 Ų144.575%0.74876%0.757SS**  trans68.2168.6143.382.20000119.3
377Q34.4Very low33.2Very low162 Ų162151.1 Ų151.176%0.75777%0.765SS**  cis-161.2162.34.8-149.4-178.777.200112.6
378T31.4Very low33.5Very low128 Ų128156.3 Ų156.379%0.78576%0.764SS**  trans68.5154.1166.776.30000118.5
379G29.1Very low33.6Very low73 Ų73163.1 Ų163.175%0.75378%0.776SS**  cis150114-17.600000116.2
380R28.6Very low34.3Very low264 Ų264160 Ų160100%0.99677%0.773SS**  trans-162.8162.2159.2-121.5177.7-174.8-162.50.9115.1
381W27.4Very low34.2Very low216 Ų216159.1 Ų159.182%0.81879%0.786SS**  trans-146.6123.1-165.7173.7-4.5000111.2
382S32.1Very low34.8Very low95 Ų95161.5 Ų161.566%0.66479%0.794SS**  trans168.9112.1140.1-83.70000119.4
383K33.2Very low35.7Very low152 Ų152161 Ų16166%0.66180%0.795SS**  62.9130.9116.1-67167.9-179.8162.70122.9
384R34.2Very low36.3Very low215 Ų215163.6 Ų163.681%0.81180%0.797SS**  trans75152.9141-72.1177.7175.9-177.9-1.1117.4
385N32.3Very low36.1Very low125 Ų125164.3 Ų164.367%0.66880%0.799SS**  cis-157.2133.7-4.1-124.8-9.3000114.7
386K37.1Very low36.1Very low183 Ų183170.6 Ų170.680%0.79683%0.828SS**  44.5122.5121.6-171.1-176.9-172.7177.90121.1
387K31.6Very low36.4Very low213 Ų213173.8 Ų173.893%0.92683%0.832SS**  trans-149.7139139.6-112.6167.2-174.3172.50112.2
388R35.6Very low36.5Very low244 Ų244174.4 Ų174.492%0.92184%0.836SS**  trans-129.4154.7171-98.4-174.4171.6-176.4-2.8107.7
389K34.4Very low36.8Very low205 Ų205176.9 Ų176.989%0.89184%0.838SS**  trans-130144.5158.3-91.6-170.5173.1-175.30108.8
390P46.6Very low37.2Very low126 Ų126183.1 Ų183.182%0.81884%0.843SS**  trans-95.5156175.537-33.3000112.5
391G33.4Very low37.8Very low78 Ų78178 Ų17880%0.80483%0.834SS**  trans-84.1168.815900000111.6
392R43.6Very low38.5Very low237 Ų237175.5 Ų175.589%0.89484%0.835SS**  trans-147.3123.4179.1-175.2-175.3-169.2-178.85.3109.7
393E48Very low38.9Very low184 Ų184181.2 Ų181.286%0.8685%0.847SS**  trans-78.1150.8174.2-65.1170.5110.800112
394R42.7Very low39.4Very low228 Ų228183.5 Ų183.586%0.8686%0.861SS**  trans-163.2145.9140.2-117178.3-175.8-169.9-1.5111.7
395T46.1Very low39.8Very low118 Ų118180.8 Ų180.872%0.72487%0.866SS**  trans-38.3152153.351.20000113.1
396N46.5Very low40.5Very low229 Ų229185.9 Ų185.9100%1.22588%0.884SS**  cis-127.9019.9-100.9-3.9000111.6

Retrieved 396 of 396 residues in 105.2 ms (Link to these results)