A0A060WZZ3_ONCMY Loading...

Eukaryotic translation initiation factor 4E binding protein 2

AlphaFold DB (A0A4W5QLM2), UniProt , Accession A0A060WZZ3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110502608, Length 118 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
1M43.4Very low59.8Low244 Ų244154.1 Ų154.1100%1.20285%0.853SS**  095.90-65.4168.287.200107.1
2S47.2Very low60.8Low117 Ų117151.6 Ų151.682%0.81885%0.854SS**  trans-86.3108.1-179.1180000108.8S4S2-S4 PolarHBondContact O-N 3.26Å
3S50Low62.2Low113 Ų113157.8 Ų157.879%0.7986%0.856SS**  trans-77.9101.7176.352.50000110T5S3-T5 PolarHBondContact O-N 3.17Å; S3-T5 VanDerWaalsContact O-N 3.17Å
4S54.2Low63.7Low115 Ų115153.6 Ų153.680%0.80485%0.853SS**  trans-67.7104.4171.9-38.70000109.5S2 S6S2-S4 PolarHBondContact O-N 3.26Å; S4-S6 PolarHBondContact O-N 3.04Å
5T61Low65.1Low128 Ų128148.8 Ų148.879%0.78582%0.824SS**  trans-69.5100.9168.344.50000108.8S3 R7S3-T5 PolarHBondContact O-N 3.17Å; S3-T5 VanDerWaalsContact O-N 3.17Å; T5-R7 PolarHBondContact O-N 3.19Å
6S60.1Low66.7Low111 Ų111144.6 Ų144.678%0.77681%0.806SS**  trans-60.3114.6169.3-177.80000108.7S4 Q8S4-S6 PolarHBondContact O-N 3.04Å; S6-Q8 PolarHBondContact O-N 3.05Å
7R63.7Low67.9Low226 Ų226141.1 Ų141.185%0.85379%0.789SS**  trans-71.798.3170.2-66.7-177.2-159.2-125.12.2106.8T5 L9T5-R7 PolarHBondContact O-N 3.19Å; R7-L9 PolarHBondContact O-N 2.94Å
8Q66.5Low69.1Low187 Ų187142.2 Ų142.287%0.87478%0.779SS**  trans-65.2100.9171.3-161-179.5-3000107.5S6 S10S6-Q8 PolarHBondContact O-N 3.05Å; Q8-S10 PolarHBondContact O-N 3.21Å
9L65.9Low70.1Confident157 Ų157139.9 Ų139.982%0.82277%0.77SS**  trans-65.5116.1174.4-71.1166.1000107.4R7 E11R7-L9 PolarHBondContact O-N 2.94Å; L9-E11 PolarHBondContact O-N 3.08Å
10S70.4Confident71.1Confident116 Ų116134.9 Ų134.981%0.81174%0.743SS**  trans-64.6115.2171.8-1770000108.2Q8 S12Q8-S10 PolarHBondContact O-N 3.21Å; S10-S12 PolarHBondContact O-N 3.27Å
11E75.6Confident71.8Confident181 Ų181132.5 Ų132.585%0.84673%0.729SS**  trans-61.5123.7169.7-73.7-169.515400109.3L9 R13L9-E11 PolarHBondContact O-N 3.08Å; E11-R13 PolarHBondContact O-N 3.14Å
12S71.9Confident73.8Confident124 Ų124121.2 Ų121.287%0.86767%0.674SS**  trans-73.4110.5175.9-175.50000109S10S10-S12 PolarHBondContact O-N 3.27Å
13R79.2Confident75.4Confident232 Ų232120.8 Ų120.888%0.87566%0.662SS**PPolyproline II helixtrans-75.8139.3171.6-84.3-178.6169.9-171.3-3.1110.3E11 I15E11-R13 PolarHBondContact O-N 3.14Å; R13-I15 PolarHBondContact O-N 3.26Å
14A82.8Confident76.9Confident99 Ų99118.3 Ų118.382%0.81864%0.64SS**PPolyproline II helixtrans-61.7135.2176.800000111.2
15I85.1Confident78Confident82 Ų82120 Ų12042%0.42163%0.629SS.*PPolyproline II helixtrans-73.3126.2178.4-62.5174.7000109.2R13 T17 G47 R49R13-I15 PolarHBondContact O-N 3.26Å; I15-T17 PolarHBondContact O-N 3.18Å; I15-T17 PolarHBondContact O-OG1 3.26Å; I15-G47 WeakPolarHBondContact CG2-O 3.37Å; I15-R49 HydrophobicContact CG2-CB 3.8Å
16P89.6Confident79Confident82 Ų82119.5 Ų119.553%0.53263%0.626SS.*PPolyproline II helixtrans-55131.1174-24.634.2000110.9T48 R49P16-T48 HydrophobicContact CB-CG2 4.5Å; P16-R49 PolarHBondContact O-N 2.79Å
17T88.1Confident80.2Confident84 Ų84118.6 Ų118.652%0.51561%0.609SS.*EExtended strand (participates in β ladder)trans-120.8134.8-174.9-59.30000111.5I15 R49 I51I15-T17 PolarHBondContact O-N 3.18Å; I15-T17 PolarHBondContact O-OG1 3.26Å; T17-R49 CarbonylContact C-O 3.55Å; T17-R49 VanDerWaalsContact CA-O 3.28Å; T17-R49 WeakPolarHBondContact CA-O 3.39Å; T17-I51 HydrophobicContact CG2-CD1 3.57Å; T17-I51 HydrophobicContact CG2-CG1 3.91Å
18R88.4Confident81.2Confident162 Ų162109.4 Ų109.461%0.61158%0.577SS**EExtended strand (participates in β ladder)trans-126.1134.7173.6177.8-178.9173.3176.5-1.3110.1V20 T48 R49 I50 I51R18-V20 HydrophobicContact CG-CG2 4.32Å; R18-T48 HydrophobicContact CB-CG2 4.38Å; R18-R49 PolarHBondContact N-O 3.14Å; R18-I50 CarbonylContact O-C 3.6Å; R18-I50 VanDerWaalsContact O-CA 3.28Å; R18-I50 WeakPolarHBondContact O-CA 3.46Å; R18-I51 PolarHBondContact O-N 3.22Å
19T89.5Confident82.2Confident99 Ų99102.1 Ų102.161%0.60755%0.545SS*.EExtended strand (participates in β ladder)trans-98136.6173.2-50.80000110.7I51T19-I51 CarbonylContact C-O 3.48Å; T19-I51 WeakPolarHBondContact CA-O 3.49Å
20V88.4Confident83.2Confident38 Ų38104.1 Ų104.123%0.2355%0.55CS.*EExtended strand (participates in β ladder)trans-127.8128.1178.5175.80000109.3R18 I22 I50 I51 Y52 D53R18-V20 HydrophobicContact CG-CG2 4.32Å; V20-I22 HydrophobicContact CG1-CD1 4.13Å; V20-I50 HydrophobicContact CB-CG2 4.18Å; V20-I50 HydrophobicContact CG2-CG2 3.66Å; V20-I51 PolarHBondContact N-O 3.31Å; V20-Y52 HydrophobicContact CB-CD1 4.06Å; V20-Y52 HydrophobicContact CB-CE1 4.26Å; V20-Y52 HydrophobicContact CG1-CD1 4.33Å; V20-Y52 HydrophobicContact CG1-CE1 4.46Å; V20-Y52 WeakPolarHBondContact O-CA 3.22Å; V20-D53 PolarHBondContact O-N 3.31Å
21L87.4Confident84.2Confident85 Ų85104.1 Ų104.145%0.44554%0.541SS..EExtended strand (participates in β ladder)trans-76.3131.9171.4177.164.3000109.8D53 K55L21-D53 HydrophobicContact CD1-CB 4.04Å; L21-K55 HydrophobicContact CD1-CB 4.47Å; L21-K55 HydrophobicContact CD1-CD 4.06Å
22I84.9Confident84.9Confident8 Ų8100 Ų1004%0.04152%0.519CS..  trans-109119.6175.2-60.6-59.6000109.3V20 D24 Q27 L28 Y52 F56V20-I22 HydrophobicContact CG1-CD1 4.13Å; I22-D24 VanDerWaalsContact CG2-O 3.22Å; I22-D24 WeakPolarHBondContact CG2-O 3.15Å; I22-Q27 HydrophobicContact CD1-CB 3.94Å; I22-Q27 HydrophobicContact CG2-CB 4.41Å; I22-L28 HydrophobicContact CG1-CD1 4.18Å; I22-Y52 HydrophobicContact CD1-CD1 3.73Å; I22-Y52 HydrophobicContact CD1-CE1 4.38Å; I22-Y52 HydrophobicContact CG1-CD1 3.93Å; I22-Y52 HydrophobicContact CG1-CG 4.33Å; I22-F56 WeakPolarHBondContact O-CB 3.4Å
23N81.5Confident85.8Confident107 Ų10797.3 Ų97.357%0.57250%0.499SS*.SBendtrans-100.5-21.4177.4-64.7-39.6000112.8F56N23-F56 WeakPolarHBondContact O-CD2 3.4Å
24D79.8Confident86.4Confident62 Ų6290 Ų9033%0.33248%0.48SS..SBendtrans-147.1154.2179.4-178.827.1000110.9I22 T26 Q27I22-D24 VanDerWaalsContact CG2-O 3.22Å; I22-D24 WeakPolarHBondContact CG2-O 3.15Å; D24-T26 PolarHBondContact O-N 2.82Å; D24-T26 WeakPolarHBondContact OD2-CB 3.15Å; D24-T26 VanDerWaalsContact OD2-CG2 3.29Å; D24-T26 WeakPolarHBondContact OD2-CG2 3.42Å; D24-T26 PolarHBondContact OD2-OG1 3.01Å; D24-Q27 WeakPolarHBondContact O-CB 3.32Å; D24-Q27 PolarHBondContact O-N 3.48Å; D24-Q27 VanDerWaalsContact O-N 3.09Å
25R77.1Confident86.7Confident151 Ų15187.7 Ų87.757%0.5746%0.456SS*.G310 helixtrans-58.4-32.2178.9-60.6-173.973.5168.4-0.5112.9Q27 L28 F56R25-Q27 PolarHBondContact O-N 3.49Å; R25-L28 WeakPolarHBondContact O-CB 3.43Å; R25-L28 PolarHBondContact O-N 3.25Å; R25-L28 VanDerWaalsContact O-N 3.07Å; R25-F56 HydrophobicContact CB-CE1 4.41Å; R25-F56 HydrophobicContact CG-CD1 4.12Å; R25-F56 HydrophobicContact CG-CE1 3.19Å; R25-F56 HydrophobicContact CG-CZ 3.64Å
26T83.1Confident87Confident117 Ų11791 Ų9172%0.71848%0.483SS*.G310 helixtrans-63.5-19.4179.559.50000113D24D24-T26 PolarHBondContact O-N 2.82Å; D24-T26 WeakPolarHBondContact OD2-CB 3.15Å; D24-T26 VanDerWaalsContact OD2-CG2 3.29Å; D24-T26 WeakPolarHBondContact OD2-CG2 3.42Å; D24-T26 PolarHBondContact OD2-OG1 3.01Å
27Q84.6Confident86.9Confident92 Ų9290.3 Ų90.343%0.4349%0.491SS..G310 helixtrans-87.8-11.4178.4-57.2171.210.300112.4I22 D24 R25I22-Q27 HydrophobicContact CD1-CB 3.94Å; I22-Q27 HydrophobicContact CG2-CB 4.41Å; D24-Q27 WeakPolarHBondContact O-CB 3.32Å; D24-Q27 PolarHBondContact O-N 3.48Å; D24-Q27 VanDerWaalsContact O-N 3.09Å; R25-Q27 PolarHBondContact O-N 3.49Å
28L85.8Confident86.7Confident33 Ų3387.4 Ų87.417%0.17348%0.477CS..SBendtrans-80.8131.7177.9-159.875.8000109.1I22 R25 Y32 L40 Y52I22-L28 HydrophobicContact CG1-CD1 4.18Å; R25-L28 WeakPolarHBondContact O-CB 3.43Å; R25-L28 PolarHBondContact O-N 3.25Å; R25-L28 VanDerWaalsContact O-N 3.07Å; L28-Y32 HydrophobicContact CD2-CD1 3.44Å; L28-Y32 VanDerWaalsContact CD2-CD1 3.44Å; L28-Y32 HydrophobicContact CD2-CD2 4.11Å; L28-Y32 HydrophobicContact CD2-CE1 3.32Å; L28-Y32 HydrophobicContact CD2-CE2 4.03Å; L28-Y32 HydrophobicContact CD2-CG 3.82Å; L28-Y32 HydrophobicContact CG-CD1 3.9Å; L28-Y32 HydrophobicContact CG-CE1 4.27Å; L28-Y32 HydrophobicContact CG-CG 4.11Å; L28-L40 HydrophobicContact CD1-CD2 3.86Å; L28-L40 HydrophobicContact CD2-CD2 4Å; L28-Y52 HydrophobicContact CD1-CD2 4.39Å; L28-Y52 HydrophobicContact CD1-CG 4.09Å
29P87.9Confident86.7Confident33 Ų3382.7 Ų82.721%0.21447%0.467CS..  trans-58.8156.7172.5-17.226.4000111.6D31 Y32 Y52P29-D31 VanDerWaalsContact C-N 3.28Å; P29-D31 WeakPolarHBondContact CB-OD1 3.21Å; P29-D31 PolarHBondContact O-N 2.78Å; P29-Y32 WeakPolarHBondContact O-CD1 3.03Å; P29-Y52 HydrophobicContact CG-CE1 4.05Å; P29-Y52 HydrophobicContact CG-CE2 3.83Å; P29-Y52 WeakPolarHBondContact CG-OH 3.28Å
30H87Confident86.7Confident200 Ų20078.5 Ų78.593%0.92644%0.44SS*.THydrogen-bonded Turntrans-74.8-19.9175.8-67.4-68.4000113.4
31D89.9Confident86.9Confident115 Ų11578.8 Ų78.862%0.61544%0.438SS*.THydrogen-bonded Turntrans-110.924.1-172.762.5-19.7000112.9P29P29-D31 VanDerWaalsContact C-N 3.28Å; P29-D31 WeakPolarHBondContact CB-OD1 3.21Å; P29-D31 PolarHBondContact O-N 2.78Å
32Y90.6Very high87.1Confident96 Ų9675.1 Ų75.138%0.37642%0.42SS..  trans-67.7147.8175.178.4-80.7000111.6L28 P29 L40L28-Y32 HydrophobicContact CD2-CD1 3.44Å; L28-Y32 VanDerWaalsContact CD2-CD1 3.44Å; L28-Y32 HydrophobicContact CD2-CD2 4.11Å; L28-Y32 HydrophobicContact CD2-CE1 3.32Å; L28-Y32 HydrophobicContact CD2-CE2 4.03Å; L28-Y32 HydrophobicContact CD2-CG 3.82Å; L28-Y32 HydrophobicContact CG-CD1 3.9Å; L28-Y32 HydrophobicContact CG-CE1 4.27Å; L28-Y32 HydrophobicContact CG-CG 4.11Å; P29-Y32 WeakPolarHBondContact O-CD1 3.03Å; Y32-L40 HydrophobicContact CD2-CB 4.44Å; Y32-L40 HydrophobicContact CD2-CD2 3.6Å; Y32-L40 HydrophobicContact CD2-CG 3.88Å; Y32-L40 HydrophobicContact CE2-CD2 3.62Å; Y32-L40 HydrophobicContact CE2-CG 4.07Å; Y32-L40 HydrophobicContact CG-CD2 4.46Å
33C90.9Very high87.5Confident67 Ų6778.2 Ų78.245%0.45344%0.439SS..EExtended strand (participates in β ladder)trans-112.6159.4174.4-66.20000110.3L40 F41C33-L40 WeakPolarHBondContact O-CA 3.04Å; C33-F41 HydrophobicContact CB-CD1 4.18Å; C33-F41 HydrophobicContact CB-CE1 3.64Å; C33-F41 HydrophobicContact CB-CE2 4.2Å; C33-F41 HydrophobicContact CB-CZ 3.66Å; C33-F41 PolarHBondContact N-O 2.8Å; C33-F41 PolarHBondContact O-N 3.32Å
34T91.1Very high88Confident78 Ų7875.5 Ų75.548%0.47943%0.427SS..EExtended strand (participates in β ladder)trans-125.4128.9176.3-49.50000109.8T39 L40T34-T39 WeakPolarHBondContact CA-O 3.4Å; T34-L40 HydrophobicContact CG2-CD1 4.45Å
35T90.8Very high88.6Confident51 Ų5179.6 Ų79.631%0.31346%0.457SS..  trans-73.2159.2171.565.40000110.5G37 G38 T39 F41T35-G37 PolarHBondContact O-N 2.88Å; T35-G37 VanDerWaalsContact O-N 3.08Å; T35-G38 WeakPolarHBondContact O-CA 3.36Å; T35-G38 PolarHBondContact O-N 2.82Å; T35-T39 PolarHBondContact N-O 2.82Å; T35-T39 WeakPolarHBondContact OG1-CB 3.26Å; T35-T39 PolarHBondContact OG1-N 3.04Å; T35-T39 VanDerWaalsContact OG1-N 3.14Å; T35-F41 HydrophobicContact CG2-CD1 3.88Å; T35-F41 HydrophobicContact CG2-CE1 3.62Å
36P90.3Very high89.3Confident151 Ų15176 Ų7698%0.98147%0.466SS*.THydrogen-bonded Turntrans-54.4-27.5172.1-28.336.1000114G38P36-G38 PolarHBondContact O-N 3.49Å
37G87.3Confident89.7Confident68 Ų6872 Ų7270%0.70145%0.448SS*.THydrogen-bonded Turntrans-75.3-1.5172.800000114.9T35T35-G37 PolarHBondContact O-N 2.88Å; T35-G37 VanDerWaalsContact O-N 3.08Å
38G84.7Confident90.1Very high23 Ų2369.8 Ų69.824%0.23744%0.441CS..  trans83.316.1177.100000115.1T35 P36T35-G38 WeakPolarHBondContact O-CA 3.36Å; T35-G38 PolarHBondContact O-N 2.82Å; P36-G38 PolarHBondContact O-N 3.49Å
39T87.5Confident90.3Very high63 Ų6372.8 Ų72.839%0.38745%0.45SS..  trans-82.7123.9175.6-56.80000109.7T34 T35 I51T34-T39 WeakPolarHBondContact CA-O 3.4Å; T35-T39 PolarHBondContact N-O 2.82Å; T35-T39 WeakPolarHBondContact OG1-CB 3.26Å; T35-T39 PolarHBondContact OG1-N 3.04Å; T35-T39 VanDerWaalsContact OG1-N 3.14Å; T39-I51 HydrophobicContact CG2-CG2 3.8Å
40L90Very high90.5Very high11 Ų1172.4 Ų72.46%0.05845%0.446CS..EExtended strand (participates in β ladder)trans-82.8132173.3-77.877.2000109.9L28 Y32 C33 T34 Y52 R54 L57L28-L40 HydrophobicContact CD1-CD2 3.86Å; L28-L40 HydrophobicContact CD2-CD2 4Å; Y32-L40 HydrophobicContact CD2-CB 4.44Å; Y32-L40 HydrophobicContact CD2-CD2 3.6Å; Y32-L40 HydrophobicContact CD2-CG 3.88Å; Y32-L40 HydrophobicContact CE2-CD2 3.62Å; Y32-L40 HydrophobicContact CE2-CG 4.07Å; Y32-L40 HydrophobicContact CG-CD2 4.46Å; C33-L40 WeakPolarHBondContact O-CA 3.04Å; T34-L40 HydrophobicContact CG2-CD1 4.45Å; L40-Y52 HydrophobicContact CB-CD2 4.46Å; L40-Y52 PolarHBondContact O-N 3.18Å; L40-R54 HydrophobicContact CD1-CB 4.45Å; L40-L57 HydrophobicContact CD1-CD1 3.98Å; L40-L57 HydrophobicContact CD2-CD1 3.77Å
41F92.3Very high90.7Very high43 Ų4365.3 Ų65.319%0.18942%0.415CS..EExtended strand (participates in β ladder)trans-149.4159.9176.873.8-77000112.2C33 T35 R49 I50C33-F41 HydrophobicContact CB-CD1 4.18Å; C33-F41 HydrophobicContact CB-CE1 3.64Å; C33-F41 HydrophobicContact CB-CE2 4.2Å; C33-F41 HydrophobicContact CB-CZ 3.66Å; C33-F41 PolarHBondContact N-O 2.8Å; C33-F41 PolarHBondContact O-N 3.32Å; T35-F41 HydrophobicContact CG2-CD1 3.88Å; T35-F41 HydrophobicContact CG2-CE1 3.62Å; F41-R49 HydrophobicContact CB-CG 4.41Å; F41-R49 HydrophobicContact CD2-CG 4.32Å; F41-I50 CarbonylContact C-O 3.56Å; F41-I50 WeakPolarHBondContact CA-O 3.36Å; F41-I50 VanDerWaalsContact CB-O 3.26Å; F41-I50 WeakPolarHBondContact CB-O 3.29Å
42S92.6Very high90.6Very high9 Ų960.8 Ų60.86%0.06339%0.389CS..EExtended strand (participates in β ladder)trans-139168.1165.867.80000109.3R49 I50 Y52S42-R49 CarbonylContact O-C 3.59Å; S42-R49 WeakPolarHBondContact O-CA 3.28Å; S42-I50 PolarHBondContact N-O 3.31Å; S42-I50 PolarHBondContact O-N 2.96Å; S42-Y52 VanDerWaalsContact OG-CE2 3.32Å; S42-Y52 WeakPolarHBondContact OG-CE2 3.45Å; S42-Y52 PolarHBondContact OG-OH 2.92Å
43T92.8Very high90.3Very high72 Ų7258.6 Ų58.644%0.44238%0.384SS..EExtended strand (participates in β ladder)trans-124.7123.4175.1-55.10000108.3T48T43-T48 WeakPolarHBondContact CA-O 3.44Å
44T91.8Very high89.5Confident51 Ų5161.3 Ų61.331%0.31339%0.385SS..  trans-73.1157.1174.263.60000110.2G46 G47 T48 I50T44-G46 PolarHBondContact O-N 2.8Å; T44-G47 PolarHBondContact O-N 3.08Å; T44-T48 PolarHBondContact N-O 3.34Å; T44-T48 PolarHBondContact OG1-N 2.99Å; T44-I50 HydrophobicContact CG2-CD1 3.61Å; T44-I50 HydrophobicContact CG2-CG1 4.3Å
45P92.5Very high88.8Confident148 Ų14863 Ų6396%0.96139%0.385SS*.THydrogen-bonded Turntrans-53-26.2174.3-29.436000114.4G47P45-G47 PolarHBondContact O-N 2.92Å
46G92.3Very high87.8Confident74 Ų7462.6 Ų62.676%0.76338%0.379SS*.THydrogen-bonded Turntrans-75.92.217400000115.1T44T44-G46 PolarHBondContact O-N 2.8Å
47G91.3Very high86.9Confident33 Ų3358.8 Ų58.834%0.3435%0.35SS..SBendtrans85.93.4175.600000115.2I15 T44 P45I15-G47 WeakPolarHBondContact CG2-O 3.37Å; T44-G47 PolarHBondContact O-N 3.08Å; P45-G47 PolarHBondContact O-N 2.92Å
48T92.1Very high86.5Confident46 Ų4658.4 Ų58.428%0.28233%0.332SS..PPolyproline II helixtrans-79.3127.7177.5-59.90000110.3P16 R18 T43 T44P16-T48 HydrophobicContact CB-CG2 4.5Å; R18-T48 HydrophobicContact CB-CG2 4.38Å; T43-T48 WeakPolarHBondContact CA-O 3.44Å; T44-T48 PolarHBondContact N-O 3.34Å; T44-T48 PolarHBondContact OG1-N 2.99Å
49R91.8Very high86.2Confident97 Ų9762.5 Ų62.537%0.36635%0.348SS..EExtended strand (participates in β ladder)trans-81.1122.5170.4-178.3174.1-72.6178.1-2.6109.8I15 P16 T17 R18 F41 S42I15-R49 HydrophobicContact CG2-CB 3.8Å; P16-R49 PolarHBondContact O-N 2.79Å; T17-R49 CarbonylContact C-O 3.55Å; T17-R49 VanDerWaalsContact CA-O 3.28Å; T17-R49 WeakPolarHBondContact CA-O 3.39Å; R18-R49 PolarHBondContact N-O 3.14Å; F41-R49 HydrophobicContact CB-CG 4.41Å; F41-R49 HydrophobicContact CD2-CG 4.32Å; S42-R49 CarbonylContact O-C 3.59Å; S42-R49 WeakPolarHBondContact O-CA 3.28Å
50I92Very high85.7Confident24 Ų2463.5 Ų63.512%0.12335%0.345CS..EExtended strand (participates in β ladder)trans-101.2126.7173.3-54.4175.7000108R18 V20 F41 S42 T44 Y52R18-I50 CarbonylContact O-C 3.6Å; R18-I50 VanDerWaalsContact O-CA 3.28Å; R18-I50 WeakPolarHBondContact O-CA 3.46Å; V20-I50 HydrophobicContact CB-CG2 4.18Å; V20-I50 HydrophobicContact CG2-CG2 3.66Å; F41-I50 CarbonylContact C-O 3.56Å; F41-I50 WeakPolarHBondContact CA-O 3.36Å; F41-I50 VanDerWaalsContact CB-O 3.26Å; F41-I50 WeakPolarHBondContact CB-O 3.29Å; S42-I50 PolarHBondContact N-O 3.31Å; S42-I50 PolarHBondContact O-N 2.96Å; T44-I50 HydrophobicContact CG2-CD1 3.61Å; T44-I50 HydrophobicContact CG2-CG1 4.3Å; I50-Y52 HydrophobicContact CB-CE1 4.39Å; I50-Y52 HydrophobicContact CB-CE2 4.24Å; I50-Y52 HydrophobicContact CG2-CD1 4.07Å; I50-Y52 HydrophobicContact CG2-CE1 3.46Å; I50-Y52 VanDerWaalsContact CG2-CE1 3.46Å; I50-Y52 HydrophobicContact CG2-CE2 4.08Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.43Å
51I90.3Very high85.3Confident52 Ų5271.1 Ų71.127%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-102.3124.5173.1-60.8178.3000108.2T17 R18 T19 V20 T39T17-I51 HydrophobicContact CG2-CD1 3.57Å; T17-I51 HydrophobicContact CG2-CG1 3.91Å; R18-I51 PolarHBondContact O-N 3.22Å; T19-I51 CarbonylContact C-O 3.48Å; T19-I51 WeakPolarHBondContact CA-O 3.49Å; V20-I51 PolarHBondContact N-O 3.31Å; T39-I51 HydrophobicContact CG2-CG2 3.8Å
52Y87.5Confident84.8Confident19 Ų1973.8 Ų73.88%0.07539%0.389CS..EExtended strand (participates in β ladder)trans-97.9125.6-179.8-59.6-71.4000110.2V20 I22 L28 P29 L40 S42 I50 R54V20-Y52 HydrophobicContact CB-CD1 4.06Å; V20-Y52 HydrophobicContact CB-CE1 4.26Å; V20-Y52 HydrophobicContact CG1-CD1 4.33Å; V20-Y52 HydrophobicContact CG1-CE1 4.46Å; V20-Y52 WeakPolarHBondContact O-CA 3.22Å; I22-Y52 HydrophobicContact CD1-CD1 3.73Å; I22-Y52 HydrophobicContact CD1-CE1 4.38Å; I22-Y52 HydrophobicContact CG1-CD1 3.93Å; I22-Y52 HydrophobicContact CG1-CG 4.33Å; L28-Y52 HydrophobicContact CD1-CD2 4.39Å; L28-Y52 HydrophobicContact CD1-CG 4.09Å; P29-Y52 HydrophobicContact CG-CE1 4.05Å; P29-Y52 HydrophobicContact CG-CE2 3.83Å; P29-Y52 WeakPolarHBondContact CG-OH 3.28Å; L40-Y52 HydrophobicContact CB-CD2 4.46Å; L40-Y52 PolarHBondContact O-N 3.18Å; S42-Y52 VanDerWaalsContact OG-CE2 3.32Å; S42-Y52 WeakPolarHBondContact OG-CE2 3.45Å; S42-Y52 PolarHBondContact OG-OH 2.92Å; I50-Y52 HydrophobicContact CB-CE1 4.39Å; I50-Y52 HydrophobicContact CB-CE2 4.24Å; I50-Y52 HydrophobicContact CG2-CD1 4.07Å; I50-Y52 HydrophobicContact CG2-CE1 3.46Å; I50-Y52 VanDerWaalsContact CG2-CE1 3.46Å; I50-Y52 HydrophobicContact CG2-CE2 4.08Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.43Å; Y52-R54 PolarHBondContact O-N 3.09Å
53D83.8Confident84.4Confident51 Ų5174.9 Ų74.927%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-70.1128.1177.2-165.4-1.3000110.2V20 L21 K55V20-D53 PolarHBondContact O-N 3.31Å; L21-D53 HydrophobicContact CD1-CB 4.04Å; D53-K55 VanDerWaalsContact C-N 3.25Å; D53-K55 PolarHBondContact O-N 3.2Å; D53-K55 IonicContact OD2-NZ 2.64Å; D53-K55 PolarHBondContact OD2-NZ 3.07Å
54R75.7Confident83.9Confident124 Ų12476.6 Ų76.647%0.46841%0.409SS..  trans-84.110.1-173.670.1171.4-172.5171.87.5113.9L40 Y52 F56 L57 L58L40-R54 HydrophobicContact CD1-CB 4.45Å; Y52-R54 PolarHBondContact O-N 3.09Å; R54-F56 VanDerWaalsContact C-N 3.31Å; R54-F56 PolarHBondContact O-N 2.89Å; R54-L57 PolarHBondContact O-N 3.45Å; R54-L58 HydrophobicContact CG-CD1 3.84Å; R54-L58 HydrophobicContact CG-CG 3.9Å; R54-L58 PolarHBondContact O-N 2.66Å
55K76.3Confident83.4Confident113 Ų11380.6 Ų80.649%0.49143%0.427SS..Hα-helixtrans-48.4-51.5-177-80.2-169.8179.768.40112.1L21 D53 L57 L58 D59L21-K55 HydrophobicContact CD1-CB 4.47Å; L21-K55 HydrophobicContact CD1-CD 4.06Å; D53-K55 VanDerWaalsContact C-N 3.25Å; D53-K55 PolarHBondContact O-N 3.2Å; D53-K55 IonicContact OD2-NZ 2.64Å; D53-K55 PolarHBondContact OD2-NZ 3.07Å; K55-L57 PolarHBondContact O-N 2.84Å; K55-L58 CarbonylContact O-C 3.49Å; K55-L58 PolarHBondContact O-N 3.24Å; K55-L58 VanDerWaalsContact O-N 3.1Å; K55-D59 WeakPolarHBondContact O-CB 3.46Å; K55-D59 PolarHBondContact O-N 3.32Å
56F69.1Low82.9Confident43 Ų4376.3 Ų76.319%0.18940%0.404CS..Hα-helixtrans-57.4-43.2177174.7-91.9000113.7I22 N23 R25 R54 L58 D59 R60I22-F56 WeakPolarHBondContact O-CB 3.4Å; N23-F56 WeakPolarHBondContact O-CD2 3.4Å; R25-F56 HydrophobicContact CB-CE1 4.41Å; R25-F56 HydrophobicContact CG-CD1 4.12Å; R25-F56 HydrophobicContact CG-CE1 3.19Å; R25-F56 HydrophobicContact CG-CZ 3.64Å; R54-F56 VanDerWaalsContact C-N 3.31Å; R54-F56 PolarHBondContact O-N 2.89Å; F56-L58 VanDerWaalsContact C-N 3.34Å; F56-L58 PolarHBondContact O-N 3.22Å; F56-D59 PolarHBondContact O-N 2.99Å; F56-R60 HydrophobicContact CE1-CG 4.13Å; F56-R60 VanDerWaalsContact CE1-NE 3.34Å; F56-R60 HydrophobicContact CZ-CG 4.08Å; F56-R60 WeakPolarHBondContact O-CG 3.44Å; F56-R60 PolarHBondContact O-N 3.29Å
57L71.3Confident82.4Confident70 Ų7079.2 Ų79.237%0.36640%0.398SS..Hα-helixtrans-65-39.1177.2-77.2171.3000111.9L40 R54 K55 R60L40-L57 HydrophobicContact CD1-CD1 3.98Å; L40-L57 HydrophobicContact CD2-CD1 3.77Å; R54-L57 PolarHBondContact O-N 3.45Å; K55-L57 PolarHBondContact O-N 2.84Å; L57-R60 PolarHBondContact O-N 2.94Å
58L78Confident82Confident61 Ų6180.9 Ų80.932%0.31940%0.401SS..Hα-helixtrans-69.1-39.6176.3-69.3179.4000112.2R54 K55 F56 R60 R61R54-L58 HydrophobicContact CG-CD1 3.84Å; R54-L58 HydrophobicContact CG-CG 3.9Å; R54-L58 PolarHBondContact O-N 2.66Å; K55-L58 CarbonylContact O-C 3.49Å; K55-L58 PolarHBondContact O-N 3.24Å; K55-L58 VanDerWaalsContact O-N 3.1Å; F56-L58 VanDerWaalsContact C-N 3.34Å; F56-L58 PolarHBondContact O-N 3.22Å; L58-R60 PolarHBondContact O-N 3.33Å; L58-R61 WeakPolarHBondContact O-CB 3.49Å; L58-R61 VanDerWaalsContact O-CD 3.32Å; L58-R61 WeakPolarHBondContact O-CD 3.04Å; L58-R61 WeakPolarHBondContact O-CG 3.44Å; L58-R61 PolarHBondContact O-N 2.64Å
59D79.4Confident81.4Confident108 Ų10880.2 Ų80.258%0.57840%0.398SS*.Hα-helixtrans-62.4-33.8178.5-68.4-22.5000110.9K55 F56 R61 N62K55-D59 WeakPolarHBondContact O-CB 3.46Å; K55-D59 PolarHBondContact O-N 3.32Å; F56-D59 PolarHBondContact O-N 2.99Å; D59-R61 PolarHBondContact O-N 3.32Å; D59-N62 PolarHBondContact O-N 3.01Å
60R76.6Confident80.9Confident85 Ų8579.3 Ų79.332%0.32141%0.405SS..G310 helixtrans-65-16.1173.4-70.8-155.8-65.5161.4-1.5114.6F56 L57 L58 N62 S63 A66F56-R60 HydrophobicContact CE1-CG 4.13Å; F56-R60 VanDerWaalsContact CE1-NE 3.34Å; F56-R60 HydrophobicContact CZ-CG 4.08Å; F56-R60 WeakPolarHBondContact O-CG 3.44Å; F56-R60 PolarHBondContact O-N 3.29Å; L57-R60 PolarHBondContact O-N 2.94Å; L58-R60 PolarHBondContact O-N 3.33Å; R60-N62 PolarHBondContact O-N 2.78Å; R60-N62 VanDerWaalsContact O-N 3.16Å; R60-S63 VanDerWaalsContact O-CB 3.23Å; R60-S63 WeakPolarHBondContact O-CB 3.32Å; R60-S63 PolarHBondContact O-N 3.27Å; R60-S63 PolarHBondContact O-OG 3.05Å; R60-A66 WeakPolarHBondContact O-CB 3.32Å
61R82Confident80.3Confident171 Ų17181.3 Ų81.365%0.64543%0.425SS*.G310 helixtrans-59.6-26.917587.2-168.9-178.7176.8-4.3112.5L58 D59 S63L58-R61 WeakPolarHBondContact O-CB 3.49Å; L58-R61 VanDerWaalsContact O-CD 3.32Å; L58-R61 WeakPolarHBondContact O-CD 3.04Å; L58-R61 WeakPolarHBondContact O-CG 3.44Å; L58-R61 PolarHBondContact O-N 2.64Å; D59-R61 PolarHBondContact O-N 3.32Å; R61-S63 VanDerWaalsContact C-N 3.33Å
62N80.9Confident79.9Confident98 Ų9887 Ų8752%0.52445%0.45SS..G310 helixtrans-89-1.8178.8-58.7-38.8000112.4D59 R60D59-N62 PolarHBondContact O-N 3.01Å; R60-N62 PolarHBondContact O-N 2.78Å; R60-N62 VanDerWaalsContact O-N 3.16Å
63S84.8Confident79.6Confident32 Ų3289.9 Ų89.922%0.22447%0.466CS..SBendtrans-67.7145.2177.168.90000110.5R60 R61 I65 A66 Q67R60-S63 VanDerWaalsContact O-CB 3.23Å; R60-S63 WeakPolarHBondContact O-CB 3.32Å; R60-S63 PolarHBondContact O-N 3.27Å; R60-S63 PolarHBondContact O-OG 3.05Å; R61-S63 VanDerWaalsContact C-N 3.33Å; S63-I65 PolarHBondContact O-N 3.37Å; S63-I65 VanDerWaalsContact O-N 3.15Å; S63-I65 WeakPolarHBondContact OG-CG2 3.49Å; S63-A66 PolarHBondContact O-N 2.81Å; S63-A66 WeakPolarHBondContact OG-CB 3.37Å; S63-A66 PolarHBondContact OG-N 3.46Å; S63-Q67 PolarHBondContact O-N 2.98Å
64P83Confident79.6Confident108 Ų10891.3 Ų91.370%0.70148%0.479SS*.Hα-helixtrans-53.7-37.7179.9-28.435000113.2A66 Q67 T68P64-A66 VanDerWaalsContact C-N 3.34Å; P64-A66 PolarHBondContact O-N 3.44Å; P64-Q67 PolarHBondContact O-N 3.27Å; P64-Q67 VanDerWaalsContact O-N 3.14Å; P64-T68 PolarHBondContact O-N 3Å
65I79.8Confident80Confident136 Ų13690.2 Ų90.270%0.69748%0.481SS*.Hα-helixtrans-70.1-26.4179.5-163160.9000113.6S63 Q67 T68S63-I65 PolarHBondContact O-N 3.37Å; S63-I65 VanDerWaalsContact O-N 3.15Å; S63-I65 WeakPolarHBondContact OG-CG2 3.49Å; I65-Q67 VanDerWaalsContact C-N 3.26Å; I65-T68 PolarHBondContact O-OG1 2.68Å
66A83.8Confident80.5Confident58 Ų5888.7 Ų88.748%0.47948%0.477SS..Hα-helixtrans-76.8-18.6173.900000112.1R60 S63 P64R60-A66 WeakPolarHBondContact O-CB 3.32Å; S63-A66 PolarHBondContact O-N 2.81Å; S63-A66 WeakPolarHBondContact OG-CB 3.37Å; S63-A66 PolarHBondContact OG-N 3.46Å; P64-A66 VanDerWaalsContact C-N 3.34Å; P64-A66 PolarHBondContact O-N 3.44Å
67Q81.9Confident81.2Confident135 Ų13592.4 Ų92.463%0.63151%0.506SS*.Hα-helixtrans-92.1-9.3176.8-63.1-178.16.100112.9S63 P64 I65 P69S63-Q67 PolarHBondContact O-N 2.98Å; P64-Q67 PolarHBondContact O-N 3.27Å; P64-Q67 VanDerWaalsContact O-N 3.14Å; I65-Q67 VanDerWaalsContact C-N 3.26Å; Q67-P69 VanDerWaalsContact O-CD 3.31Å; Q67-P69 WeakPolarHBondContact O-CD 3.04Å
68T81.3Confident81.7Confident67 Ų6793.5 Ų93.541%0.41153%0.534SS..SBendtrans-76.4119.8171.856.60000109.1P64 I65P64-T68 PolarHBondContact O-N 3Å; I65-T68 PolarHBondContact O-OG1 2.68Å
69P79.8Confident82.1Confident33 Ų3395.6 Ų95.621%0.21455%0.549CS..PPolyproline II helixtrans-61.3147.9175.6-2233.7000111.9Q67 A71 V84Q67-P69 VanDerWaalsContact O-CD 3.31Å; Q67-P69 WeakPolarHBondContact O-CD 3.04Å; P69-A71 PolarHBondContact O-N 3.35Å; P69-V84 HydrophobicContact CB-CB 3.81Å; P69-V84 HydrophobicContact CB-CG1 3.15Å; P69-V84 HydrophobicContact CB-CG2 3.64Å; P69-V84 HydrophobicContact CG-CB 4.04Å; P69-V84 HydrophobicContact CG-CG1 3.83Å; P69-V84 HydrophobicContact CG-CG2 3.8Å
70P80.7Confident82.3Confident78 Ų7891.9 Ų91.951%0.50653%0.53SS..PPolyproline II helixtrans-61.5131.2175.2-21.532.5000111.4L73P70-L73 HydrophobicContact CB-CB 4.36Å; P70-L73 HydrophobicContact CG-CD2 4.48Å
71A80.7Confident82Confident66 Ų6692 Ų9255%0.54554%0.544SS..THydrogen-bonded Turntrans-64.3142.7172.900000110.1P69 L73P69-A71 PolarHBondContact O-N 3.35Å; A71-L73 PolarHBondContact O-N 3.42Å
72H80.7Confident81Confident170 Ų17088.9 Ų88.979%0.78754%0.54SS*.THydrogen-bonded Turntrans6122176.5-45.4-67.4000116.1
73L82.2Confident79.9Confident80 Ų8091 Ų9142%0.41955%0.551SS.*  trans-70.4127.3173.4-164.571.8000110.4P70 A71 T80P70-L73 HydrophobicContact CB-CB 4.36Å; P70-L73 HydrophobicContact CG-CD2 4.48Å; A71-L73 PolarHBondContact O-N 3.42Å; L73-T80 HydrophobicContact CD2-CG2 3.54Å; L73-T80 HydrophobicContact CG-CG2 3.98Å
74P83.6Confident78.5Confident82 Ų8291.2 Ų91.253%0.53255%0.551SS.*  trans-66.3150.3-179.927.7-34.7000111.4I76 T80P74-I76 HydrophobicContact CG-CD1 4.42Å; P74-I76 PolarHBondContact O-N 3.21Å; P74-T80 PolarHBondContact O-OG1 3.31Å
75I84.3Confident77.2Confident101 Ų10189.7 Ų89.752%0.51854%0.536SS..  trans-83.7100.9177.1-52.2167.9000108.9T80 L82 L85I75-T80 WeakPolarHBondContact CA-OG1 3.19Å; I75-L82 HydrophobicContact CD1-CD1 3.79Å; I75-L85 HydrophobicContact CD1-CD1 3.76Å; I75-L85 HydrophobicContact CG1-CD1 4.39Å
76I87.5Confident76Confident80 Ų8087.7 Ų87.741%0.4153%0.531SS..  trans-102.8115172.7-57.2170.4000107.9P74 G78 V79 T80P74-I76 HydrophobicContact CG-CD1 4.42Å; P74-I76 PolarHBondContact O-N 3.21Å; I76-G78 PolarHBondContact O-N 2.98Å; I76-V79 HydrophobicContact CB-CB 3.96Å; I76-V79 HydrophobicContact CB-CG2 4.4Å; I76-V79 HydrophobicContact CG2-CB 3.78Å; I76-V79 HydrophobicContact CG2-CG2 3.65Å; I76-V79 PolarHBondContact O-N 2.95Å; I76-T80 PolarHBondContact N-OG1 3.18Å; I76-T80 PolarHBondContact O-N 3.16Å; I76-T80 PolarHBondContact O-OG1 3.41Å
77P83.1Confident74.6Confident121 Ų12189 Ų8979%0.78653%0.527SS*.THydrogen-bonded Turntrans-53.4129.9178.6-2634.3000112V79P77-V79 PolarHBondContact O-N 3.48Å
78G82.6Confident73.3Confident93 Ų9383.5 Ų83.596%0.95950%0.502SS*.THydrogen-bonded Turntrans77-6-179.500000115.8I76I76-G78 PolarHBondContact O-N 2.98Å
79V86.3Confident71.9Confident106 Ų10689.7 Ų89.764%0.64252%0.518SS*.THydrogen-bonded Turntrans-114.1-52179.3-1790000111.3I76 P77I76-V79 HydrophobicContact CB-CB 3.96Å; I76-V79 HydrophobicContact CB-CG2 4.4Å; I76-V79 HydrophobicContact CG2-CB 3.78Å; I76-V79 HydrophobicContact CG2-CG2 3.65Å; I76-V79 PolarHBondContact O-N 2.95Å; P77-V79 PolarHBondContact O-N 3.48Å
80T82.6Confident70.7Confident30 Ų3096.3 Ų96.318%0.18454%0.538CS..SBendtrans-115.2118.7-177.960.60000109.3L73 P74 I75 I76L73-T80 HydrophobicContact CD2-CG2 3.54Å; L73-T80 HydrophobicContact CG-CG2 3.98Å; P74-T80 PolarHBondContact O-OG1 3.31Å; I75-T80 WeakPolarHBondContact CA-OG1 3.19Å; I76-T80 PolarHBondContact N-OG1 3.18Å; I76-T80 PolarHBondContact O-N 3.16Å; I76-T80 PolarHBondContact O-OG1 3.41Å
81S69.6Low69.3Low87 Ų8795.7 Ų95.761%0.60853%0.531SS*.  trans-78.8141.4-175.8-43.50000112.6N83S81-N83 VanDerWaalsContact C-N 3.25Å; S81-N83 PolarHBondContact O-N 2.81Å
82L62Low68Low106 Ų10698.4 Ų98.456%0.55553%0.532SS*.THydrogen-bonded Turntrans-64.2-23.6178.9-168.269.5000114.2I75 V84 L85I75-L82 HydrophobicContact CD1-CD1 3.79Å; L82-V84 PolarHBondContact O-N 3.5Å; L82-L85 HydrophobicContact CD1-CD1 3.42Å; L82-L85 VanDerWaalsContact CD1-CD1 3.42Å; L82-L85 HydrophobicContact CD1-CG 4.27Å; L82-L85 HydrophobicContact CG-CD1 4.46Å; L82-L85 PolarHBondContact O-N 3.1Å
83N57.2Low66.6Low141 Ų14194.7 Ų94.775%0.75453%0.531SS*.Hα-helixtrans-57.8-13.8-178.8-68.9-0.6000113.9S81S81-N83 VanDerWaalsContact C-N 3.25Å; S81-N83 PolarHBondContact O-N 2.81Å
84V56.6Low65.1Low38 Ų3897.7 Ų97.723%0.2355%0.547CS..Hα-helixtrans-70.9-36.1175.21600000113.4P69 L82 T86 E87 N88P69-V84 HydrophobicContact CB-CB 3.81Å; P69-V84 HydrophobicContact CB-CG1 3.15Å; P69-V84 HydrophobicContact CB-CG2 3.64Å; P69-V84 HydrophobicContact CG-CB 4.04Å; P69-V84 HydrophobicContact CG-CG1 3.83Å; P69-V84 HydrophobicContact CG-CG2 3.8Å; L82-V84 PolarHBondContact O-N 3.5Å; V84-T86 PolarHBondContact O-N 2.93Å; V84-E87 PolarHBondContact O-N 3.28Å; V84-N88 VanDerWaalsContact CG1-ND2 3.32Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.23Å; V84-N88 PolarHBondContact O-N 3.37Å; V84-N88 PolarHBondContact O-ND2 3.12Å; V84-N88 PolarHBondContact O-OD1 3.23Å
85L55.6Low63.6Low75 Ų7599.6 Ų99.639%0.39355%0.553SS.*Hα-helixtrans-70.6-29.3-171.7-64.2178.4000113.7I75 L82 E87I75-L85 HydrophobicContact CD1-CD1 3.76Å; I75-L85 HydrophobicContact CG1-CD1 4.39Å; L82-L85 HydrophobicContact CD1-CD1 3.42Å; L82-L85 VanDerWaalsContact CD1-CD1 3.42Å; L82-L85 HydrophobicContact CD1-CG 4.27Å; L82-L85 HydrophobicContact CG-CD1 4.46Å; L82-L85 PolarHBondContact O-N 3.1Å; L85-E87 VanDerWaalsContact C-N 3.35Å
86T53.5Low61.7Low95 Ų95102.2 Ų102.258%0.58356%0.563SS**Hα-helixtrans-69.9-34.2-179.4-48.40000111.7V84V84-T86 PolarHBondContact O-N 2.93Å
87E55.9Low60.1Low86 Ų86105.1 Ų105.140%0.40258%0.578SS.*Hα-helixtrans-80.8-33.2178-68.9-65.1113.800112.2V84 L85 R89 R90 N91V84-E87 PolarHBondContact O-N 3.28Å; L85-E87 VanDerWaalsContact C-N 3.35Å; E87-R89 VanDerWaalsContact C-N 3.25Å; E87-R89 PolarHBondContact O-N 3.24Å; E87-R90 PolarHBondContact O-N 3.26Å; E87-R90 VanDerWaalsContact O-N 3.12Å; E87-R90 IonicContact OE1-NH1 3.03Å; E87-R90 PolarHBondContact OE1-NH1 3.28Å; E87-N91 PolarHBondContact O-OD1 3.36Å
88N52.8Low58.1Low19 Ų19106.9 Ų106.910%0.10257%0.573CS.*Hα-helixtrans-58.3-35.5177.6-70.5-16.5000113.1V84 R90 N91 E92V84-N88 VanDerWaalsContact CG1-ND2 3.32Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.23Å; V84-N88 PolarHBondContact O-N 3.37Å; V84-N88 PolarHBondContact O-ND2 3.12Å; V84-N88 PolarHBondContact O-OD1 3.23Å; N88-R90 PolarHBondContact O-N 3.19Å; N88-N91 PolarHBondContact O-N 3.22Å; N88-N91 VanDerWaalsContact O-N 3.12Å; N88-E92 WeakPolarHBondContact O-CG 3.31Å; N88-E92 PolarHBondContact O-N 3.12Å
89R53.7Low56.2Low197 Ų197108.3 Ų108.374%0.74357%0.565SS**Hα-helixtrans-65.3-23-179.8-143.1-165.2-53.3-1312.9113.6E87E87-R89 VanDerWaalsContact C-N 3.25Å; E87-R89 PolarHBondContact O-N 3.24Å
90R53.3Low54.2Low171 Ų171111.3 Ų111.365%0.64557%0.572SS**Hα-helixtrans-82.2-31.6174.3-76.1-177.3176.4128.9-2.7112.3E87 N88E87-R90 PolarHBondContact O-N 3.26Å; E87-R90 VanDerWaalsContact O-N 3.12Å; E87-R90 IonicContact OE1-NH1 3.03Å; E87-R90 PolarHBondContact OE1-NH1 3.28Å; N88-R90 PolarHBondContact O-N 3.19Å
91N51.4Low52.5Low66 Ų66116.8 Ų116.835%0.35360%0.601SS.*Hα-helixtrans-84.6-26.9-171-59.88.7000112.1E87 N88 A93 N94E87-N91 PolarHBondContact O-OD1 3.36Å; N88-N91 PolarHBondContact O-N 3.22Å; N88-N91 VanDerWaalsContact O-N 3.12Å; N91-A93 PolarHBondContact O-N 3.24Å; N91-N94 PolarHBondContact O-N 3.15Å
92E54.3Low51.3Low122 Ų122117.3 Ų117.357%0.5760%0.604SS**THydrogen-bonded Turntrans-63.5-26.6173.5-73.1174-177.700113.1N88 N94N88-E92 WeakPolarHBondContact O-CG 3.31Å; N88-E92 PolarHBondContact O-N 3.12Å; E92-N94 VanDerWaalsContact C-N 3.27Å; E92-N94 PolarHBondContact O-N 3.14Å
93A50.3Low50.2Low92 Ų92121 Ų12176%0.7662%0.618SS**THydrogen-bonded Turntrans-73.1-15.1178.100000113.9N91N91-A93 PolarHBondContact O-N 3.24Å
94N50.2Low49.2Very low143 Ų143117.5 Ų117.577%0.76562%0.615SS**THydrogen-bonded Turntrans-111.1-6.8-171.1-149.721.2000114.4N91 E92N91-N94 PolarHBondContact O-N 3.15Å; E92-N94 VanDerWaalsContact C-N 3.27Å; E92-N94 PolarHBondContact O-N 3.14Å
95N52Low48.3Very low123 Ų123125.7 Ų125.766%0.65865%0.648SS**  trans-118.371.7-179.9-86.1-30.3000111.5I97N95-I97 PolarHBondContact O-N 3.28Å
96H45.3Very low47.6Very low155 Ų155129 Ų12972%0.71867%0.671SS**  trans-76.377.7163-173.673.3000109.7
97I53.6Low46.8Very low142 Ų142129 Ų12973%0.72868%0.681SS**  trans-84.9113164.6-57.5-175.6000106.8N95N95-I97 PolarHBondContact O-N 3.28Å
98K42Very low46.1Very low157 Ų157131.4 Ų131.468%0.68370%0.702SS**  trans-63.2132.7175.9-61.8-159179.9-148.40109.8H100K98-H100 PolarHBondContact O-N 3.41Å
99P42.8Very low45.7Very low123 Ų123133.9 Ų133.980%0.79973%0.731SS**  trans-68.9122.1174.626.5-31.6000110.1N101P99-N101 PolarHBondContact O-N 3.38Å
100H43.6Very low45.5Very low169 Ų169131.8 Ų131.878%0.78273%0.73SS**  trans-76.6101.3169.4-173.3-85.4000108.5K98 S102K98-H100 PolarHBondContact O-N 3.41Å; H100-S102 PolarHBondContact O-N 3.02Å
101N46.2Very low45.3Very low146 Ų146131.2 Ų131.278%0.78174%0.74SS**  trans-66.9114167.1-111.12.6000108.8P99P99-N101 PolarHBondContact O-N 3.38Å
102S45.7Very low46.1Very low98 Ų98132.7 Ų132.769%0.68576%0.761SS**  trans-124.5108.1158.656.40000110H100H100-S102 PolarHBondContact O-N 3.02Å
103H39Very low46.8Very low184 Ų184134.9 Ų134.985%0.85277%0.772SS**  trans-53.3132175.4-86.5-71.1000114.2
104G35.9Very low47.2Very low66 Ų66139.2 Ų139.268%0.6877%0.774SS**  66.2115.9124.200000120.2
105K36.7Very low47.8Very low211 Ų211140.8 Ų140.892%0.91778%0.776SS**  -174.8134107.1-96.9167.4-175.7-179.60111.1
106T41.9Very low48.6Very low143 Ų143142.7 Ų142.788%0.87778%0.783SS**  trans-65.9137.3172.147.30000112.1
107A35.9Very low49.8Very low97 Ų97142.2 Ų142.280%0.80279%0.786SS**  trans-153114.6151.600000109.2
108T42.7Very low50.2Low136 Ų136146.4 Ų146.483%0.83481%0.808SS**  trans-46.5141.5159.8-0.20000110.9
109G43.9Very low50.6Low70 Ų70145.9 Ų145.972%0.72281%0.814SS**  trans179.971.9-178.500000109.2D111G109-D111 PolarHBondContact O-N 3.4Å
110E48.3Very low51Low153 Ų153147.1 Ų147.172%0.71582%0.815SS**  trans-51110.916637.3-90.8100.300112.1
111D50.4Low51.4Low159 Ų159145.9 Ų145.985%0.8582%0.816SS**  trans-161.4106.2147.7-83.3-39.1000107.1G109 Q113G109-D111 PolarHBondContact O-N 3.4Å; D111-Q113 PolarHBondContact O-N 3.28Å; D111-Q113 VanDerWaalsContact O-N 3.14Å
112A68.4Low51.7Low98 Ų98145.9 Ų145.981%0.8182%0.818SS**  trans-61.3117.1-177.500000109.9F114A112-F114 PolarHBondContact O-N 2.9Å; A112-F114 VanDerWaalsContact O-N 3.08Å
113Q67.9Low52.1Low168 Ų168148.9 Ų148.979%0.78583%0.827SS**SBendtrans-64.6-18.8-165.1-170.8168.9-19.800114.5D111D111-Q113 PolarHBondContact O-N 3.28Å; D111-Q113 VanDerWaalsContact O-N 3.14Å
114F59.7Low53Low183 Ų183146.5 Ų146.580%0.80383%0.825SS**  trans-157.5124.7164.5-65.1-74.6000110.3A112A112-F114 PolarHBondContact O-N 2.9Å; A112-F114 VanDerWaalsContact O-N 3.08Å
115E62.3Low54.2Low175 Ų175152.3 Ų152.382%0.81884%0.835SS**  trans-76.8124.2166.2-170.8170.3-172.400108.4
116M69.4Low55.6Low163 Ų163147.8 Ų147.880%0.80383%0.829SS**  trans-92.7104.1174.5179.37770.300107.3I118M116-I118 HydrophobicContact CG-CG2 4.26Å; M116-I118 PolarHBondContact O-N 3.03Å
117D68.8Low56.7Low146 Ų146148.2 Ų148.278%0.78183%0.825SS**  trans-62.8120.9169.8-66.7-38.5000108.9
118I62.6Low58.6Low230 Ų230152.8 Ų152.8100%1.17983%0.827SS**  trans-112.2017054.6165.8000110.9M116M116-I118 HydrophobicContact CG-CG2 4.26Å; M116-I118 PolarHBondContact O-N 3.03Å

Retrieved 118 of 118 residues in 220.2 ms (Link to these results)