A0A087Y4C8_POEFO Loading...

Nuclear transcription factor Y subunit

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes.

AlphaFold DB , UniProt , Accession A0A087Y4C8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 350 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
1M34Very low38.5Very low232 Ų232111.5 Ų111.5100%1.14360%0.603SS**  099.70-155.9-176.6-71.400105.3Q3M1-Q3 PolarHBondContact O-N 3.47Å
2E37.6Very low38.3Very low135 Ų135106.7 Ų106.763%0.63160%0.598SS**  trans-70.1123.2-177.1-61.8177150.200108.5Y4 Q18E2-Y4 HydrophobicContact CB-CE2 3.88Å; E2-Y4 PolarHBondContact OE2-OH 3.46Å; E2-Q18 PolarHBondContact OE2-NE2 3.04Å
3Q34.4Very low38.2Very low144 Ų144109.6 Ų109.667%0.67360%0.604SS**  trans-96.4112.4179.8-64.8-153.685.200109.3M1M1-Q3 PolarHBondContact O-N 3.47Å
4Y40.1Very low37.8Very low130 Ų130111.1 Ų111.151%0.5161%0.605SS.*EExtended strand (participates in β ladder)trans-87.7123.2173.5-60.3-92.7000107.6E2 V16 Q18E2-Y4 HydrophobicContact CB-CE2 3.88Å; E2-Y4 PolarHBondContact OE2-OH 3.46Å; Y4-V16 HydrophobicContact CD1-CG1 4.26Å; Y4-Q18 HydrophobicContact CD1-CB 4.27Å; Y4-Q18 HydrophobicContact CD1-CG 4.08Å; Y4-Q18 HydrophobicContact CE1-CB 4.34Å; Y4-Q18 HydrophobicContact CE1-CG 3.86Å; Y4-Q18 PolarHBondContact OH-NE2 2.84Å
5T39.1Very low38.1Very low62 Ų62109.7 Ų109.738%0.3860%0.595SS.*EExtended strand (participates in β ladder)trans-104.9119.8174-61.50000109.1V17 I24T5-V17 PolarHBondContact N-O 2.87Å; T5-V17 VanDerWaalsContact N-O 3.13Å; T5-V17 PolarHBondContact O-N 3.04Å; T5-I24 HydrophobicContact CG2-CD1 3.9Å
6T38.7Very low38.1Very low82 Ų82108.5 Ų108.550%0.50359%0.592SS.*EExtended strand (participates in β ladder)trans-91.7120.3176.251.20000109.2V16T6-V16 HydrophobicContact CG2-CG2 4.27Å
7A42.3Very low38.5Very low36 Ų36105.1 Ų105.130%0.29858%0.575SS.*EExtended strand (participates in β ladder)trans-108.1124.217200000110I15A7-I15 PolarHBondContact N-O 3.49Å; A7-I15 PolarHBondContact O-N 2.81Å; A7-I15 VanDerWaalsContact O-N 3.08Å
8T35.2Very low38.5Very low97 Ų97105.4 Ų105.460%0.59557%0.572SS**EExtended strand (participates in β ladder)trans-95.9119.1178.7-48.60000109.5
9T43.2Very low38.8Very low48 Ų48101.3 Ų101.329%0.29455%0.551SS.*  trans-80.5160.2174.558.40000111.2T11 G12 E13 I15T9-T11 PolarHBondContact O-N 2.81Å; T9-G12 PolarHBondContact O-N 3.11Å; T9-E13 PolarHBondContact N-O 3.41Å; T9-E13 PolarHBondContact OG1-O 3.26Å; T9-I15 HydrophobicContact CG2-CD1 4.42Å
10T38.9Very low38.9Very low157 Ų157101 Ų10196%0.96356%0.562SS**THydrogen-bonded Turntrans-58.5-13.7-175.5-49.70000114.5
11T39.7Very low39.1Very low104 Ų104103.5 Ų103.564%0.63858%0.575SS**THydrogen-bonded Turntrans-99.62.2174.645.20000114.3T9T9-T11 PolarHBondContact O-N 2.81Å
12G36Very low39.7Very low53 Ų5393.8 Ų93.855%0.54653%0.534SS..SBendtrans87.93.9175.300000115.8T9T9-G12 PolarHBondContact O-N 3.11Å
13E37.4Very low39.9Very low145 Ų14595 Ų9568%0.67854%0.54SS*.PPolyproline II helixtrans-78.1125171.7-75.8-176.1150.200110.3T9T9-E13 PolarHBondContact N-O 3.41Å; T9-E13 PolarHBondContact OG1-O 3.26Å
14Q33.4Very low40.4Very low131 Ų13191.2 Ų91.261%0.61252%0.524SS*.EExtended strand (participates in β ladder)trans-89.4119.9176.4-72.2-172.644.800109.9
15I42.1Very low40.5Very low90 Ų9090.9 Ų90.946%0.46253%0.527SS..EExtended strand (participates in β ladder)trans-99.6119.6168.6-57.1174.3000106.8A7 T9 V17A7-I15 PolarHBondContact N-O 3.49Å; A7-I15 PolarHBondContact O-N 2.81Å; A7-I15 VanDerWaalsContact O-N 3.08Å; T9-I15 HydrophobicContact CG2-CD1 4.42Å; I15-V17 HydrophobicContact CG2-CG2 3.8Å
16V38.3Very low40.7Very low90 Ų9092.9 Ų92.955%0.54553%0.532SS..EExtended strand (participates in β ladder)trans-92.3112.4174.8-174.20000107.7Y4 T6Y4-V16 HydrophobicContact CD1-CG1 4.26Å; T6-V16 HydrophobicContact CG2-CG2 4.27Å
17V44.5Very low40.6Very low51 Ų5195.8 Ų95.831%0.30954%0.54SS..EExtended strand (participates in β ladder)trans-109.8119.3177.3-1690000108.2T5 I15 T19T5-V17 PolarHBondContact N-O 2.87Å; T5-V17 VanDerWaalsContact N-O 3.13Å; T5-V17 PolarHBondContact O-N 3.04Å; I15-V17 HydrophobicContact CG2-CG2 3.8Å; V17-T19 HydrophobicContact CB-CG2 4.45Å; V17-T19 HydrophobicContact CG1-CG2 3.65Å; V17-T19 PolarHBondContact O-N 3.49Å
18Q39Very low40.5Very low110 Ų11098.5 Ų98.551%0.51455%0.552SS.*EExtended strand (participates in β ladder)trans-83.9109.9172.8-164.8173.624.800107.6E2 Y4E2-Q18 PolarHBondContact OE2-NE2 3.04Å; Y4-Q18 HydrophobicContact CD1-CB 4.27Å; Y4-Q18 HydrophobicContact CD1-CG 4.08Å; Y4-Q18 HydrophobicContact CE1-CB 4.34Å; Y4-Q18 HydrophobicContact CE1-CG 3.86Å; Y4-Q18 PolarHBondContact OH-NE2 2.84Å
19T43.5Very low40.3Very low27 Ų27102 Ų10217%0.16656%0.562CS.*  trans-119.6127.5177.267.50000109.9V17 N21 L37V17-T19 HydrophobicContact CB-CG2 4.45Å; V17-T19 HydrophobicContact CG1-CG2 3.65Å; V17-T19 PolarHBondContact O-N 3.49Å; T19-N21 VanDerWaalsContact C-N 3.28Å; T19-N21 PolarHBondContact O-N 3.33Å; T19-N21 VanDerWaalsContact O-N 3.17Å; T19-L37 HydrophobicContact CG2-CD2 4.18Å
20A40.4Very low40.5Very low95 Ų95103.1 Ų103.179%0.78558%0.583SS**SBendtrans-89.258179.900000111
21N43.3Very low40.4Very low154 Ų154100.9 Ų100.982%0.82457%0.569SS**SBendtrans101.128.2169.9-39.5-37.3000117.9T19T19-N21 VanDerWaalsContact C-N 3.28Å; T19-N21 PolarHBondContact O-N 3.33Å; T19-N21 VanDerWaalsContact O-N 3.17Å
22G47.4Very low40.1Very low28 Ų2898.1 Ų98.129%0.28955%0.552SS.*PPolyproline II helixtrans-103.8150176.900000114.2
23Q40.6Very low40.3Very low162 Ų16297.7 Ų97.776%0.75754%0.539SS*.EExtended strand (participates in β ladder)trans-83.3137168.2-68.7-145.8-22.600110.9Q38Q23-Q38 PolarHBondContact O-N 3.38Å
24I45.7Very low40.4Very low64 Ų6492.5 Ų92.533%0.32852%0.521SS..EExtended strand (participates in β ladder)trans-99.9118.8-179.5-53.3179000108.4T5 V35 L37T5-I24 HydrophobicContact CG2-CD1 3.9Å; I24-V35 HydrophobicContact CG2-CG1 3.69Å; I24-L37 HydrophobicContact CG1-CD2 3.89Å
25Q41.3Very low40.8Very low123 Ų12387.9 Ų87.958%0.57550%0.501SS*.EExtended strand (participates in β ladder)trans-110.8115.1172.9-147.3172.7106.400109.3Q36Q25-Q36 PolarHBondContact N-O 2.93Å; Q25-Q36 VanDerWaalsContact N-O 3.12Å; Q25-Q36 PolarHBondContact O-N 3.26Å; Q25-Q36 VanDerWaalsContact O-N 3.09Å
26Q44.4Very low40.6Very low104 Ų10487.3 Ų87.349%0.48650%0.497SS..EExtended strand (participates in β ladder)trans-103.5120.9-177.2-167.2175.598.400109.2T33Q26-T33 HydrophobicContact CG-CG2 3.86Å
27Q36Very low40.8Very low143 Ų14385.7 Ų85.767%0.66849%0.485SS*.EExtended strand (participates in β ladder)trans-118.7116.8177.5-133.617844.600108.9A34Q27-A34 PolarHBondContact N-O 3.26Å; Q27-A34 PolarHBondContact O-N 3.04Å
28T39.5Very low40.5Very low92 Ų9288.8 Ų88.856%0.56450%0.496SS*.EExtended strand (participates in β ladder)trans-105.2116.5-176.5-530000109.4
29Q31.9Very low40.5Very low171 Ų17187.6 Ų87.680%0.79951%0.505SS*.EExtended strand (participates in β ladder)trans-129.3100.2174.1-128.7-17269.100108.7V32Q29-V32 PolarHBondContact N-O 3.35Å
30G47.6Very low40Very low71 Ų7195.7 Ų95.773%0.73254%0.541SS*.THydrogen-bonded Turntrans66.5-137.6-177.600000113.5V32G30-V32 PolarHBondContact O-N 2.91Å
31T36.3Very low39.9Very low111 Ų11194.7 Ų94.768%0.68153%0.532SS*.THydrogen-bonded Turntrans-81.19.9-17851.10000114.4
32V33.7Very low39.2Very low46 Ų4694.2 Ų94.228%0.27954%0.538SS..EExtended strand (participates in β ladder)trans-118.2125.3-177.4-176.10000108.8Q29 G30 V52Q29-V32 PolarHBondContact N-O 3.35Å; G30-V32 PolarHBondContact O-N 2.91Å; V32-V52 HydrophobicContact CG1-CG2 4.32Å; V32-V52 HydrophobicContact CG2-CG2 4.37Å
33T40.5Very low38.8Very low43 Ų4396.6 Ų96.626%0.26456%0.563SS.*EExtended strand (participates in β ladder)trans-107.1114.6173.6-53.30000108.1Q26 V35 V51Q26-T33 HydrophobicContact CG-CG2 3.86Å; T33-V35 HydrophobicContact CG2-CG2 4.37Å; T33-V51 PolarHBondContact N-O 3.4Å; T33-V51 PolarHBondContact O-N 3.34Å
34A38.3Very low38.7Very low36 Ų3697.9 Ų97.930%0.29857%0.568SS.*EExtended strand (participates in β ladder)trans-96126.9171.700000109Q27 L49Q27-A34 PolarHBondContact N-O 3.26Å; Q27-A34 PolarHBondContact O-N 3.04Å; A34-L49 WeakPolarHBondContact CA-O 3.38Å
35V41.8Very low38.2Very low34 Ų34103.4 Ų103.421%0.20659%0.593CS.*EExtended strand (participates in β ladder)trans-110.7112.9174-176.60000107.5I24 T33 L49I24-V35 HydrophobicContact CG2-CG1 3.69Å; T33-V35 HydrophobicContact CG2-CG2 4.37Å; V35-L49 PolarHBondContact N-O 3.11Å; V35-L49 PolarHBondContact O-N 3.02Å
36Q38.9Very low37.9Very low79 Ų79101.7 Ų101.737%0.36959%0.59SS.*EExtended strand (participates in β ladder)trans-99.4118.7175.7-166.715647.300108.9Q25 T48Q25-Q36 PolarHBondContact N-O 2.93Å; Q25-Q36 VanDerWaalsContact N-O 3.12Å; Q25-Q36 PolarHBondContact O-N 3.26Å; Q25-Q36 VanDerWaalsContact O-N 3.09Å; Q36-T48 HydrophobicContact CG-CG2 4.33Å; Q36-T48 VanDerWaalsContact NE2-CG2 3.33Å
37L43Very low37.6Very low55 Ų55102.9 Ų102.929%0.28860%0.596SS.*EExtended strand (participates in β ladder)trans-97.6110.3174.7-67169.3000107.5T19 I24T19-L37 HydrophobicContact CG2-CD2 4.18Å; I24-L37 HydrophobicContact CG1-CD2 3.89Å
38Q37.5Very low37.5Very low117 Ų117100.2 Ų100.255%0.54759%0.59SS.*EExtended strand (participates in β ladder)trans-101.3109.9176.4-164.1147.424.400108.7Q23Q23-Q38 PolarHBondContact O-N 3.38Å
39A39.8Very low37.5Very low84 Ų8499.3 Ų99.369%0.69458%0.581SS**  trans-92.8125.9173.200000109.3A41A39-A41 VanDerWaalsContact C-N 3.3Å; A39-A41 PolarHBondContact O-N 3.36Å; A39-A41 VanDerWaalsContact O-N 3.13Å
40E32.5Very low37.6Very low197 Ų19798.1 Ų98.192%0.92158%0.575SS**  trans-89.855.7-172.3-155.1178.5147.500111.8
41A39Very low37.3Very low74 Ų7497.7 Ų97.761%0.61256%0.558SS**SBendtrans-139.5136.6173.300000111.8A39 G43A39-A41 VanDerWaalsContact C-N 3.3Å; A39-A41 PolarHBondContact O-N 3.36Å; A39-A41 VanDerWaalsContact O-N 3.13Å; A41-G43 PolarHBondContact O-N 3.33Å
42P28.6Very low37.3Very low145 Ų14596.8 Ų96.894%0.94255%0.553SS**THydrogen-bonded Turntrans-75.4110-173.729.5-32.1000110.6
43G37.6Very low37.5Very low78 Ų78101.7 Ų101.780%0.80457%0.572SS**THydrogen-bonded Turntrans143.6-1.5165.200000118.5A41A41-G43 PolarHBondContact O-N 3.33Å
44Q38.9Very low37.4Very low188 Ų188103.5 Ų103.588%0.87960%0.6SS**SBendtrans-127.9146.2177.3-90.6178.3-2.200113.7
45Q36.3Very low37Very low180 Ų180110 Ų11084%0.84162%0.624SS**  trans-64.6137.9-168.8-61.8-168.1-13.300112.4Q47Q45-Q47 PolarHBondContact O-N 3.49Å
46V34.5Very low36.5Very low87 Ų87114.2 Ų114.253%0.52765%0.652SS.*  trans-68.1115.6173.9179.60000108.5
47Q38.3Very low36.3Very low130 Ų130115.9 Ų115.961%0.60766%0.663SS**EExtended strand (participates in β ladder)trans-97.7115.5178.3-157.280.973.600109.9Q45 L49Q45-Q47 PolarHBondContact O-N 3.49Å; Q47-L49 HydrophobicContact CG-CD1 4.12Å
48T33.7Very low35.6Very low87 Ų87122.2 Ų122.253%0.53469%0.693SS.*EExtended strand (participates in β ladder)trans-95118.9173.750.90000110.1Q36Q36-T48 HydrophobicContact CG-CG2 4.33Å; Q36-T48 VanDerWaalsContact NE2-CG2 3.33Å
49L39.5Very low35.5Very low72 Ų72120.7 Ų120.738%0.37769%0.692SS.*EExtended strand (participates in β ladder)trans-93.8115.7172.4-89.573.9000109.4A34 V35 Q47A34-L49 WeakPolarHBondContact CA-O 3.38Å; V35-L49 PolarHBondContact N-O 3.11Å; V35-L49 PolarHBondContact O-N 3.02Å; Q47-L49 HydrophobicContact CG-CD1 4.12Å
50Q34.5Very low35.1Very low146 Ų146126 Ų12668%0.68270%0.702SS**EExtended strand (participates in β ladder)trans-96.1113.5167.5-86.5-178.4-2100109.3
51V40.6Very low35.2Very low62 Ų62120.6 Ų120.638%0.37668%0.683SS.*EExtended strand (participates in β ladder)trans-97.6110.3174-175.80000108T33T33-V51 PolarHBondContact N-O 3.4Å; T33-V51 PolarHBondContact O-N 3.34Å
52V36.8Very low35Very low92 Ų92123.3 Ų123.356%0.55870%0.697SS**EExtended strand (participates in β ladder)trans-104.3126171.8179.50000107.6V32 G54V32-V52 HydrophobicContact CG1-CG2 4.32Å; V32-V52 HydrophobicContact CG2-CG2 4.37Å; V52-G54 PolarHBondContact O-N 3.25Å
53Q36.3Very low35.6Very low149 Ų149120.1 Ų120.170%0.69669%0.691SS**THydrogen-bonded Turntrans-54.9123.3-177.6-89.6-176.1-2300112.2
54G39.5Very low35.5Very low82 Ų82119 Ų11985%0.84568%0.679SS**THydrogen-bonded Turntrans111.710.8162.100000118.3V52V52-G54 PolarHBondContact O-N 3.25Å
55Q29.8Very low35.2Very low171 Ų171115.2 Ų115.280%0.79966%0.662SS**SBendtrans-118.6142.1172.7-68.1-131.3-300112.3L57Q55-L57 PolarHBondContact O-N 2.85Å
56P31.5Very low35.1Very low123 Ų123111 Ų11180%0.79964%0.644SS**  trans-69.3117.217228.1-31.3000109.8M58P56-M58 PolarHBondContact O-N 3.49Å
57L33.1Very low35.2Very low115 Ų115112.5 Ų112.560%0.60265%0.648SS**  trans-76.8107.7-178.7-167.773.4000109.9Q55 V59Q55-L57 PolarHBondContact O-N 2.85Å; L57-V59 HydrophobicContact CD2-CG2 3.81Å; L57-V59 HydrophobicContact CG-CG2 4Å; L57-V59 PolarHBondContact O-N 3.16Å
58M29Very low35Very low187 Ų187109.3 Ų109.392%0.92164%0.638SS**  trans-77.7103.7165.5-72.7-151.3-60.600109.1P56 Q60P56-M58 PolarHBondContact O-N 3.49Å; M58-Q60 PolarHBondContact O-N 3.04Å
59V35Very low35Very low85 Ų85111.8 Ų111.852%0.51566%0.659SS.*  trans-83.7103.6177-179.60000108.8L57 V61L57-V59 HydrophobicContact CD2-CG2 3.81Å; L57-V59 HydrophobicContact CG-CG2 4Å; L57-V59 PolarHBondContact O-N 3.16Å; V59-V61 HydrophobicContact CG1-CB 4.5Å; V59-V61 HydrophobicContact CG1-CG1 3.87Å; V59-V61 HydrophobicContact CG1-CG2 4.2Å; V59-V61 PolarHBondContact O-N 2.83Å
60Q32.3Very low34.8Very low195 Ų195112.5 Ų112.591%0.91167%0.67SS**  trans-85.191.6167.3-173.9158.6-2.700109M58M58-Q60 PolarHBondContact O-N 3.04Å
61V35Very low34.7Very low84 Ų84108.1 Ų108.151%0.50966%0.664SS.*  trans-90.8114.2169.6-91.60000109.4V59 G63V59-V61 HydrophobicContact CG1-CB 4.5Å; V59-V61 HydrophobicContact CG1-CG1 3.87Å; V59-V61 HydrophobicContact CG1-CG2 4.2Å; V59-V61 PolarHBondContact O-N 2.83Å; V61-G63 PolarHBondContact O-N 3.37Å; V61-G63 VanDerWaalsContact O-N 3.15Å
62S33.9Very low34.2Very low131 Ų131111.8 Ų111.892%0.91668%0.677SS**SBendtrans-74100.5168.9-173.30000108.5
63G41.5Very low34Very low78 Ų78111.1 Ų111.180%0.80467%0.674SS**SBendtrans83.293.4173.600000113.7V61V61-G63 PolarHBondContact O-N 3.37Å; V61-G63 VanDerWaalsContact O-N 3.15Å
64G36.3Very low34Very low55 Ų55106.7 Ų106.757%0.56766%0.655SS**SBendtrans145.196.7170.600000112.9
65Q32.8Very low33.6Very low109 Ų109110.5 Ų110.551%0.50965%0.653SS.*  trans21.1113.4158.5-156.1159.441.500118.7P73Q65-P73 HydrophobicContact CG-CB 4.28Å
66L33.2Very low33.8Very low91 Ų91105.9 Ų105.948%0.47664%0.636SS.*EExtended strand (participates in β ladder)trans-84.2124168-70.4165.9000109.4I74 V76L66-I74 PolarHBondContact O-N 3.43Å; L66-V76 HydrophobicContact CD1-CG2 4.36Å
67I36.3Very low33.8Very low119 Ų119107.6 Ų107.661%0.6163%0.633SS**EExtended strand (participates in β ladder)trans-104.4116.6168.6-56178.7000107.2
68T34.8Very low33.8Very low62 Ų62105.9 Ų105.938%0.3864%0.636SS.*  trans-75.5161.6171.553.40000110.2S70 G71 I74T68-S70 PolarHBondContact O-N 3.32Å; T68-S70 PolarHBondContact OG1-OG 2.87Å; T68-G71 PolarHBondContact O-N 3.22Å; T68-I74 HydrophobicContact CG2-CD1 3.87Å
69S33Very low34Very low140 Ų140104.3 Ų104.398%0.97963%0.628SS**THydrogen-bonded Turntrans-56.2-3.5178.8480000115.7
70S36.3Very low33.9Very low87 Ų87106.3 Ų106.361%0.60865%0.645SS**THydrogen-bonded Turntrans-97.4-0.5175.2550000115T68 Q72T68-S70 PolarHBondContact O-N 3.32Å; T68-S70 PolarHBondContact OG1-OG 2.87Å; S70-Q72 PolarHBondContact O-N 2.97Å
71G31.5Very low34Very low54 Ų5499.4 Ų99.456%0.55763%0.626SS**  trans75.313.1171.600000116.5T68T68-G71 PolarHBondContact O-N 3.22Å
72Q30.7Very low34Very low139 Ų139101.7 Ų101.765%0.6565%0.646SS**  trans-99.3129.5174.3-70.3-72.9-32.200110.7S70 I74S70-Q72 PolarHBondContact O-N 2.97Å; Q72-I74 PolarHBondContact O-N 3.49Å
73P31.9Very low34Very low78 Ų78103.5 Ų103.551%0.50664%0.64SS.*EExtended strand (participates in β ladder)trans-74.5125-178.824.7-29.4000112.3Q65Q65-P73 HydrophobicContact CG-CB 4.28Å
74I36.5Very low33.8Very low56 Ų56102.7 Ų102.729%0.28763%0.632SS.*EExtended strand (participates in β ladder)trans-94115.4170.6-57.8176.2000108.8L66 T68 Q72 V76L66-I74 PolarHBondContact O-N 3.43Å; T68-I74 HydrophobicContact CG2-CD1 3.87Å; Q72-I74 PolarHBondContact O-N 3.49Å; I74-V76 HydrophobicContact CG2-CG2 3.87Å; I74-V76 PolarHBondContact O-N 3.18Å
75M30.2Very low33.7Very low162 Ų162105 Ų10580%0.79863%0.628SS**  trans-80.4104.8170.4-78.3-162.1-66.400110
76V35.3Very low33.9Very low73 Ų73103.6 Ų103.644%0.44263%0.627SS.*  trans-96.896.7173.3-168.90000108.1L66 I74 A78L66-V76 HydrophobicContact CD1-CG2 4.36Å; I74-V76 HydrophobicContact CG2-CG2 3.87Å; I74-V76 PolarHBondContact O-N 3.18Å; V76-A78 PolarHBondContact O-N 2.92Å
77Q32.1Very low34.1Very low160 Ų160101.8 Ų101.875%0.74862%0.617SS**  trans-91.592.1174.3-168.1155.843.400109.7M79Q77-M79 HydrophobicContact CG-CG 4.27Å; Q77-M79 PolarHBondContact O-N 3.09Å
78A33.3Very low34.2Very low79 Ų79100.7 Ų100.765%0.65361%0.611SS**  trans-77.7102168.700000108.8V76V76-A78 PolarHBondContact O-N 2.92Å
79M32.7Very low34.1Very low154 Ų154102.2 Ų102.276%0.75961%0.614SS**  trans-84.8114.2165-66.5-166.974.100108.3Q77 G81Q77-M79 HydrophobicContact CG-CG 4.27Å; Q77-M79 PolarHBondContact O-N 3.09Å; M79-G81 VanDerWaalsContact C-N 3.3Å; M79-G81 PolarHBondContact O-N 3.27Å
80S32.2Very low34.3Very low126 Ų12698.3 Ų98.388%0.88158%0.584SS**  trans-74.182.4172.944.20000110.3
81G35.2Very low34.3Very low50 Ų5098.7 Ų98.752%0.51558%0.584SS.*  trans-68.5143.5160.100000109.8M79 Q83M79-G81 VanDerWaalsContact C-N 3.3Å; M79-G81 PolarHBondContact O-N 3.27Å; G81-Q83 PolarHBondContact O-N 2.95Å
82S33.8Very low34.6Very low132 Ų13299.6 Ų99.692%0.92358%0.579SS**SBendtrans-62.113-171.951.60000116.9
83Q34.8Very low34.7Very low169 Ų16999.3 Ų99.379%0.7959%0.592SS**SBendtrans-141.563.9-178.7-70-101.63.800109.9G81 Q85G81-Q83 PolarHBondContact O-N 2.95Å; Q83-Q85 PolarHBondContact O-N 3.18Å
84G36.8Very low34.8Very low62 Ų6298.2 Ų98.264%0.63960%0.595SS**  trans47.622.4158.100000119.5
85Q34.1Very low34.7Very low103 Ų103101 Ų10148%0.48163%0.627SS.*PPolyproline II helixtrans-97.9117.5-177.5-93.1-168.66.800110.3Q83 Q102Q83-Q85 PolarHBondContact O-N 3.18Å; Q85-Q102 VanDerWaalsContact CD-NE2 3.28Å; Q85-Q102 VanDerWaalsContact OE1-NE2 3.1Å
86T38.2Very low34.9Very low80 Ų80101.6 Ų101.649%0.49163%0.627SS.*EExtended strand (participates in β ladder)trans-95.9116.8168.5-52.30000108.4L103T86-L103 PolarHBondContact O-N 3.36Å
87I37.3Very low34.9Very low52 Ų52101.1 Ų101.127%0.26764%0.638SS.*EExtended strand (participates in β ladder)trans-98.1118.9172.3-61.1173.8000107.3Q89 Q100 Q102I87-Q89 HydrophobicContact CG2-CG 4.25Å; I87-Q100 HydrophobicContact CG2-CG 3.48Å; I87-Q100 VanDerWaalsContact CG2-CG 3.48Å; I87-Q102 VanDerWaalsContact CG1-NE2 3.27Å
88M37.3Very low35.2Very low97 Ų9799.4 Ų99.448%0.47863%0.633SS.*EExtended strand (participates in β ladder)trans-103.5119.6172.4-171.3178.9-70.700108.3V90 I101M88-V90 HydrophobicContact CG-CG2 4.11Å; M88-V90 HydrophobicContact SD-CG2 4.33Å; M88-I101 HydrophobicContact CB-CB 4.36Å; M88-I101 PolarHBondContact N-O 3.39Å; M88-I101 WeakPolarHBondContact O-CB 3.39Å; M88-I101 PolarHBondContact O-N 2.91Å
89Q32.9Very low35.4Very low94 Ų94100 Ų10044%0.43962%0.622SS.*EExtended strand (participates in β ladder)trans-106.3118.4173.3-76.1174.837.300108.4I87 Q100I87-Q89 HydrophobicContact CG2-CG 4.25Å; Q89-Q100 HydrophobicContact CG-CB 4.45Å; Q89-Q100 HydrophobicContact CG-CG 4.28Å
90V38.3Very low35.6Very low58 Ų5895.9 Ų95.935%0.35260%0.601SS.*EExtended strand (participates in β ladder)trans-111.2124176.5-174.40000107.8M88 V92 Q99 I101M88-V90 HydrophobicContact CG-CG2 4.11Å; M88-V90 HydrophobicContact SD-CG2 4.33Å; V90-V92 PolarHBondContact O-N 3.12Å; V90-Q99 PolarHBondContact N-O 2.9Å; V90-I101 HydrophobicContact CG2-CD1 4.21Å
91P35.7Very low36Very low95 Ų9591.9 Ų91.962%0.61757%0.569SS**  trans-72.3117.9172.427.2-29.6000109.2
92V36.8Very low36.1Very low73 Ų7391.4 Ų91.444%0.44255%0.554SS.*  trans-91.2127.2173.3-73.70000109.4V90 G94V90-V92 PolarHBondContact O-N 3.12Å; V92-G94 PolarHBondContact O-N 3.21Å; V92-G94 VanDerWaalsContact O-N 3.12Å
93S32.9Very low36.3Very low133 Ų13389.4 Ų89.493%0.9353%0.532SS*.SBendtrans-76.199.3178.847.30000110.7
94G34.6Very low36.4Very low55 Ų5585 Ų8557%0.56752%0.516SS*.SBendtrans159.488.2168.500000112.5V92 Q96V92-G94 PolarHBondContact O-N 3.21Å; V92-G94 VanDerWaalsContact O-N 3.12Å; G94-Q96 PolarHBondContact O-N 3.45Å
95A35.4Very low36.3Very low115 Ų11590 Ų9095%0.9552%0.523SS*.SBendtrans39.10.4163.900000122.2
96Q33.3Very low36.7Very low173 Ų17391.3 Ų91.381%0.80854%0.541SS*.SBendtrans-141.3113-179.1-61.6-128.7-37.800110.5G94G94-Q96 PolarHBondContact O-N 3.45Å
97G36.4Very low37.1Very low64 Ų6489.4 Ų89.466%0.6654%0.537SS*.  trans68.6129.5150.400000119.2Q99G97-Q99 PolarHBondContact O-N 3.4Å
98L37.3Very low37.4Very low123 Ų12390.6 Ų90.664%0.64454%0.541SS*.  trans-60.3123.2160.2-68.5161.5000108.9
99Q37.2Very low37.9Very low93 Ų9387.8 Ų87.844%0.43553%0.528SS..EExtended strand (participates in β ladder)trans-90.8116.3176.8-166.3144.192.800109.9V90 G97V90-Q99 PolarHBondContact N-O 2.9Å; G97-Q99 PolarHBondContact O-N 3.4Å
100Q37.1Very low38.4Very low67 Ų6787 Ų8731%0.31352%0.524SS..EExtended strand (participates in β ladder)trans-92.1115.5179.2-167.4178.336.800109.6I87 Q89I87-Q100 HydrophobicContact CG2-CG 3.48Å; I87-Q100 VanDerWaalsContact CG2-CG 3.48Å; Q89-Q100 HydrophobicContact CG-CB 4.45Å; Q89-Q100 HydrophobicContact CG-CG 4.28Å
101I41.5Very low38.8Very low42 Ų4286.5 Ų86.522%0.21552%0.519CS..EExtended strand (participates in β ladder)trans-100.3112.3176.9-61.2160.4000107.7M88 V90 I109M88-I101 HydrophobicContact CB-CB 4.36Å; M88-I101 PolarHBondContact N-O 3.39Å; M88-I101 WeakPolarHBondContact O-CB 3.39Å; M88-I101 PolarHBondContact O-N 2.91Å; V90-I101 HydrophobicContact CG2-CD1 4.21Å; I101-I109 HydrophobicContact CG2-CG2 3.87Å
102Q36.7Very low39.1Very low40 Ų4088.4 Ų88.419%0.18752%0.52CS..EExtended strand (participates in β ladder)trans-95.5111.4176.7-170.574.673.900108.9Q85 I87 V104Q85-Q102 VanDerWaalsContact CD-NE2 3.28Å; Q85-Q102 VanDerWaalsContact OE1-NE2 3.1Å; I87-Q102 VanDerWaalsContact CG1-NE2 3.27Å; Q102-V104 HydrophobicContact CG-CG2 4.35Å
103L37.6Very low39.7Very low90 Ų9088.5 Ų88.547%0.47154%0.535SS..EExtended strand (participates in β ladder)trans-88.3117.4178.2-156.568.8000109.6T86 I109T86-L103 PolarHBondContact O-N 3.36Å; L103-I109 HydrophobicContact CD1-CD1 4.48Å; L103-I109 HydrophobicContact CD1-CG1 3.97Å
104V37.2Very low40.5Very low75 Ų7584 Ų8446%0.45551%0.511SS..EExtended strand (participates in β ladder)trans-110.1122.6176.3-171.10000108Q102Q102-V104 HydrophobicContact CG-CG2 4.35Å
105Q34.6Very low41.1Very low167 Ų16784.1 Ų84.178%0.7850%0.496SS*.THydrogen-bonded Turntrans-60.6155.6-177.2-71.2-172.625.300113.3
106P41.8Very low41.7Very low131 Ų13179.9 Ų79.985%0.85146%0.459SS*.THydrogen-bonded Turncis-100.2119.2-49.532.3-18.8000109.1
107G47.5Very low42.5Very low40 Ų4073.3 Ų73.341%0.41243%0.429SS..THydrogen-bonded Turntrans122.8-1.3167.100000116.9L119G107-L119 PolarHBondContact O-N 3.16Å
108Q44.6Very low43Very low77 Ų7772.9 Ų72.936%0.3641%0.41SS..EExtended strand (participates in β ladder)trans-123.2123.7177-61.6-119.927.400110.9L117 Q118Q108-L117 WeakPolarHBondContact CA-O 3.19Å; Q108-Q118 VanDerWaalsContact CD-NE2 3.28Å; Q108-Q118 HydrophobicContact CG-CG 3.79Å; Q108-Q118 VanDerWaalsContact OE1-CG 3.29Å; Q108-Q118 VanDerWaalsContact OE1-NE2 3.11Å
109I45.7Very low43.4Very low39 Ų3970.8 Ų70.820%0.240%0.399CS..EExtended strand (participates in β ladder)trans-103.3116.7171.4-54.3178.9000107.3I101 L103 L117 L119I101-I109 HydrophobicContact CG2-CG2 3.87Å; L103-I109 HydrophobicContact CD1-CD1 4.48Å; L103-I109 HydrophobicContact CD1-CG1 3.97Å; I109-L117 HydrophobicContact CB-CB 4.14Å; I109-L117 PolarHBondContact N-O 2.73Å; I109-L117 PolarHBondContact O-N 2.84Å; I109-L119 HydrophobicContact CD1-CD1 3.53Å; I109-L119 HydrophobicContact CG1-CD1 4.15Å
110Q44.1Very low43.6Very low78 Ų7872.7 Ų72.736%0.36441%0.408SS..EExtended strand (participates in β ladder)trans-95.2122176.4-17384.374.500109.4Q115 T116Q110-Q115 PolarHBondContact NE2-O 2.95Å; Q110-T116 VanDerWaalsContact OE1-CG2 3.27Å
111L46.8Very low43.8Very low46 Ų4671.8 Ų71.824%0.24142%0.416CS..EExtended strand (participates in β ladder)trans-92.1149.4173.8-63.7167.6000110.4G113 G114 Q115 L117L111-G113 PolarHBondContact O-N 3.24Å; L111-G114 PolarHBondContact O-N 2.84Å; L111-Q115 HydrophobicContact CB-CB 4.5Å; L111-Q115 PolarHBondContact N-O 3.11Å; L111-L117 HydrophobicContact CD1-CD1 3.39Å; L111-L117 HydrophobicContact CG-CD1 4.07Å
112Q42.8Very low43.6Very low136 Ų13678.1 Ų78.164%0.63645%0.445SS*.THydrogen-bonded Turntrans-66.4105.7176.7-156.6178.471.200109.3
113G48.8Very low43.5Very low74 Ų7486.2 Ų86.276%0.76348%0.483SS*.THydrogen-bonded Turntrans137.33.4-170.200000115.6L111L111-G113 PolarHBondContact O-N 3.24Å
114G50.1Low43.6Very low40 Ų4085.6 Ų85.641%0.41250%0.498SS..SBendtrans85.52.7175.100000115.1L111 P134L111-G114 PolarHBondContact O-N 2.84Å; G114-P134 WeakPolarHBondContact O-CD 3.15Å
115Q47.6Very low43.6Very low57 Ų5787.3 Ų87.327%0.26650%0.501SS..  trans-81.8130.6173.1-82.2-179.943.800111.7Q110 L111 Q132 Q133Q110-Q115 PolarHBondContact NE2-O 2.95Å; L111-Q115 HydrophobicContact CB-CB 4.5Å; L111-Q115 PolarHBondContact N-O 3.11Å; Q115-Q132 WeakPolarHBondContact CA-O 3.24Å; Q115-Q133 VanDerWaalsContact CD-CG 3.47Å; Q115-Q133 HydrophobicContact CG-CG 3.48Å; Q115-Q133 VanDerWaalsContact CG-CG 3.48Å
116T46.9Very low43.7Very low26 Ų2683.5 Ų83.516%0.1649%0.491CS..EExtended strand (participates in β ladder)trans-108.5126.6171.455.90000110.2Q110 Q132Q110-T116 VanDerWaalsContact OE1-CG2 3.27Å; T116-Q132 PolarHBondContact N-O 3.31Å; T116-Q132 PolarHBondContact O-N 3.29Å
117L49.6Very low43.6Very low35 Ų3581.8 Ų81.818%0.18347%0.471CS..EExtended strand (participates in β ladder)trans-97.8120.2171.3-85.167.4000109Q108 I109 L111 I131Q108-L117 WeakPolarHBondContact CA-O 3.19Å; I109-L117 HydrophobicContact CB-CB 4.14Å; I109-L117 PolarHBondContact N-O 2.73Å; I109-L117 PolarHBondContact O-N 2.84Å; L111-L117 HydrophobicContact CD1-CD1 3.39Å; L111-L117 HydrophobicContact CG-CD1 4.07Å; L117-I131 HydrophobicContact CD1-CG1 4.49Å; L117-I131 HydrophobicContact CG-CG1 4.28Å
118Q48.7Very low43.2Very low54 Ų5483.7 Ų83.725%0.25247%0.469SS..EExtended strand (participates in β ladder)trans-102.6123.1169.4-85.2167.258.800109.9Q108 I130Q108-Q118 VanDerWaalsContact CD-NE2 3.28Å; Q108-Q118 HydrophobicContact CG-CG 3.79Å; Q108-Q118 VanDerWaalsContact OE1-CG 3.29Å; Q108-Q118 VanDerWaalsContact OE1-NE2 3.11Å; Q118-I130 HydrophobicContact CB-CB 4.42Å; Q118-I130 PolarHBondContact N-O 3.3Å; Q118-I130 VanDerWaalsContact N-O 3.09Å; Q118-I130 PolarHBondContact O-N 3.27Å
119L44.1Very low43.2Very low79 Ų7981.1 Ų81.141%0.41446%0.458SS..EExtended strand (participates in β ladder)trans-99.697.3176.5-73.1151.7000107.7G107 I109 I129G107-L119 PolarHBondContact O-N 3.16Å; I109-L119 HydrophobicContact CD1-CD1 3.53Å; I109-L119 HydrophobicContact CG1-CD1 4.15Å; L119-I129 HydrophobicContact CD2-CG1 4.17Å
120Q42Very low43.2Very low134 Ų13480.3 Ų80.363%0.62645%0.454SS*.EExtended strand (participates in β ladder)trans-107.3105176.9-162.6169.723.400109.3Q128Q120-Q128 PolarHBondContact N-O 3.49Å
121G41Very low43.5Very low47 Ų4777.5 Ų77.549%0.48544%0.441SS..  trans-153.2120.4173.700000110.6
122Q38.5Very low43.6Very low176 Ų17677 Ų7782%0.82244%0.437SS*.  trans-75.1141.9158.1-82.5-172-14.200108.3G124 Q125Q122-G124 PolarHBondContact O-N 3.31Å; Q122-Q125 PolarHBondContact O-N 3.37Å
123Q33.8Very low43.9Very low210 Ų21074.7 Ų74.798%0.98143%0.427SS*.THydrogen-bonded Turntrans-51.1113.5-178.1-78.7-166.6-5.500110.4
124G39.5Very low43.9Very low77 Ų7773.7 Ų73.779%0.79441%0.407SS*.THydrogen-bonded Turntrans118.5-4.7174.800000117.2Q122Q122-G124 PolarHBondContact O-N 3.31Å
125Q36.8Very low43.7Very low110 Ų11076.3 Ų76.351%0.51441%0.408SS..SBendtrans-107.2154.3172.8-67.8-65.1-20.700111.6Q122 Q127Q122-Q125 PolarHBondContact O-N 3.37Å; Q125-Q127 PolarHBondContact O-N 3.34Å
126P37.2Very low43.4Very low88 Ų8880 Ų8057%0.57144%0.435SS*.PPolyproline II helixtrans-56.8123.8172.224.2-32.4000109.1Q128P126-Q128 PolarHBondContact O-N 3.19Å
127Q39.5Very low42.8Very low95 Ų9583 Ų8344%0.44446%0.463SS..PPolyproline II helixtrans-60.1124.6-179.4-80.6178.94.600109.6Q125Q125-Q127 PolarHBondContact O-N 3.34Å
128Q38.5Very low42.1Very low79 Ų7988.9 Ų88.937%0.36949%0.492SS..EExtended strand (participates in β ladder)trans-89.9119.8169.2-166.8178.638.700107.9Q120 P126 I130 V165Q120-Q128 PolarHBondContact N-O 3.49Å; P126-Q128 PolarHBondContact O-N 3.19Å; Q128-I130 HydrophobicContact CG-CG1 4.28Å; Q128-V165 HydrophobicContact CG-CG2 4.21Å
129I44.4Very low41.3Very low24 Ų2493.1 Ų93.112%0.12352%0.522CS..EExtended strand (participates in β ladder)trans-100.7112.9176.2-61.6171.3000106.8L119 I131 Q162 T163 I164 V165L119-I129 HydrophobicContact CD2-CG1 4.17Å; I129-I131 HydrophobicContact CG2-CG1 4.11Å; I129-Q162 VanDerWaalsContact CD1-OE1 3.31Å; I129-T163 PolarHBondContact N-O 2.77Å; I129-I164 HydrophobicContact CB-CG1 4.48Å; I129-I164 WeakPolarHBondContact O-CA 3.39Å; I129-V165 PolarHBondContact O-N 3.14Å
130I47.1Very low40.6Very low21 Ų2193.7 Ų93.711%0.10854%0.538CS..EExtended strand (participates in β ladder)trans-98.9114.3177.8-59.1165.2000107.9Q118 Q128 Q132 V165 Q167Q118-I130 HydrophobicContact CB-CB 4.42Å; Q118-I130 PolarHBondContact N-O 3.3Å; Q118-I130 VanDerWaalsContact N-O 3.09Å; Q118-I130 PolarHBondContact O-N 3.27Å; Q128-I130 HydrophobicContact CG-CG1 4.28Å; I130-Q132 HydrophobicContact CG2-CG 4.41Å; I130-V165 WeakPolarHBondContact CA-O 3.26Å; I130-Q167 HydrophobicContact CG2-CB 4.48Å
131I49.1Very low39.9Very low19 Ų1990 Ų9010%0.09754%0.536CS..EExtended strand (participates in β ladder)trans-101.6112.9175.5-57.4175.7000107.7L117 I129 I164 V165 Y166 Q167L117-I131 HydrophobicContact CD1-CG1 4.49Å; L117-I131 HydrophobicContact CG-CG1 4.28Å; I129-I131 HydrophobicContact CG2-CG1 4.11Å; I131-I164 HydrophobicContact CD1-CG2 3.71Å; I131-I164 HydrophobicContact CG1-CG2 4.19Å; I131-V165 PolarHBondContact N-O 3.47Å; I131-V165 VanDerWaalsContact N-O 3.12Å; I131-Y166 HydrophobicContact CB-CD1 4.09Å; I131-Y166 HydrophobicContact CB-CE1 4.19Å; I131-Y166 HydrophobicContact CD1-CE1 3.82Å; I131-Y166 HydrophobicContact CG2-CD1 4.26Å; I131-Y166 HydrophobicContact CG2-CE1 4.24Å; I131-Q167 PolarHBondContact O-N 3.19Å; I131-Q167 VanDerWaalsContact O-N 3.16Å
132Q48.8Very low39.4Very low35 Ų3596.2 Ų96.216%0.16455%0.553CS.*EExtended strand (participates in β ladder)trans-93.5116.2172.2-76.4143.797.900108.9Q115 T116 I130 V169Q115-Q132 WeakPolarHBondContact CA-O 3.24Å; T116-Q132 PolarHBondContact N-O 3.31Å; T116-Q132 PolarHBondContact O-N 3.29Å; I130-Q132 HydrophobicContact CG2-CG 4.41Å; Q132-V169 HydrophobicContact CB-CG1 4.48Å; Q132-V169 HydrophobicContact CB-CG2 3.95Å; Q132-V169 HydrophobicContact CG-CG1 4.01Å; Q132-V169 HydrophobicContact CG-CG2 4.38Å
133Q50.1Low39.3Very low89 Ų8995.8 Ų95.842%0.41656%0.556SS.*EExtended strand (participates in β ladder)trans-103.6123.8170.4-98.2-175.847.900109.6Q115 Q135 V169Q115-Q133 VanDerWaalsContact CD-CG 3.47Å; Q115-Q133 HydrophobicContact CG-CG 3.48Å; Q115-Q133 VanDerWaalsContact CG-CG 3.48Å; Q133-Q135 PolarHBondContact O-N 3.06Å; Q133-V169 PolarHBondContact O-N 2.91Å
134P49.1Very low39.1Very low53 Ų5393.8 Ų93.834%0.34455%0.547SS..EExtended strand (participates in β ladder)trans-72.8124.3168.427.8-30.1000109.5G114 V169G114-P134 WeakPolarHBondContact O-CD 3.15Å; P134-V169 WeakPolarHBondContact CA-O 3.17Å
135Q46.1Very low38.8Very low94 Ų9496.1 Ų96.144%0.43955%0.551SS.*PPolyproline II helixtrans-93.2138.8170.8-85.7-176.1-31.500111.1Q133 A137 V169Q133-Q135 PolarHBondContact O-N 3.06Å; Q135-A137 PolarHBondContact O-N 3.21Å; Q135-V169 PolarHBondContact N-O 3.12Å
136T40.1Very low38.8Very low136 Ų13697.5 Ų97.583%0.83456%0.557SS**  trans-74.2111.5169.243.40000108.8I138T136-I138 PolarHBondContact O-N 3.44Å
137A34.5Very low38.7Very low89 Ų8999.2 Ų99.274%0.73656%0.558SS**PPolyproline II helixtrans-60.5119.5173.100000109.3Q135 T139Q135-A137 PolarHBondContact O-N 3.21Å; A137-T139 PolarHBondContact O-N 2.85Å
138I34.2Very low38.7Very low157 Ų15797.9 Ų97.981%0.80555%0.553SS**PPolyproline II helixtrans-68.9117.6167.341.9170.8000108.3T136T136-I138 PolarHBondContact O-N 3.44Å
139T32.8Very low38.7Very low144 Ų14498.6 Ų98.688%0.88357%0.566SS**PPolyproline II helixtrans-58.2134.6-175.5-61.70000112.4A137A137-T139 PolarHBondContact O-N 2.85Å
140A29.5Very low38.5Very low91 Ų9199.4 Ų99.475%0.75257%0.572SS**PPolyproline II helixtrans-53.3144.7-173.500000117.2
141G26.3Very low38Very low56 Ų56107.8 Ų107.858%0.57761%0.611SS**  trans-130.999.315100000109.8
142Q32.5Very low37.7Very low178 Ų178109.4 Ų109.483%0.83263%0.632SS**SBendtrans43.4111.2159.9-63.4-174.5-31.800120.7Q144Q142-Q144 PolarHBondContact O-N 2.95Å; Q142-Q144 VanDerWaalsContact O-N 3.17Å
143N35.3Very low37.6Very low167 Ų167112.9 Ų112.989%0.89365%0.649SS**SBendtrans39.258.4142.2-66.5-75.5000118.3
144Q30.2Very low37.4Very low168 Ų168114.7 Ų114.779%0.78566%0.657SS**SBendtrans-138.2138.3152.6-107.217470.200107.5Q142 Q146Q142-Q144 PolarHBondContact O-N 2.95Å; Q142-Q144 VanDerWaalsContact O-N 3.17Å; Q144-Q146 VanDerWaalsContact C-N 3.33Å; Q144-Q146 PolarHBondContact O-N 3.03Å
145S33.8Very low37.3Very low125 Ų125117.3 Ų117.387%0.87467%0.672SS**  trans-5094.8172.947.60000109.9Q147S145-Q147 PolarHBondContact O-N 3.19Å
146Q36.1Very low37.1Very low139 Ų139114.3 Ų114.365%0.6566%0.663SS**  trans-80.1118.8-176-97.7-179.327.600109.7Q144 I148Q144-Q146 VanDerWaalsContact C-N 3.33Å; Q144-Q146 PolarHBondContact O-N 3.03Å; Q146-I148 PolarHBondContact O-N 3.03Å
147Q34.8Very low36.8Very low125 Ų125114.5 Ų114.558%0.58466%0.655SS**  trans-60.8110.5167.7-174.5179.1-4800108.8S145 S149 T182S145-Q147 PolarHBondContact O-N 3.19Å; Q147-S149 PolarHBondContact O-N 2.94Å; Q147-S149 VanDerWaalsContact O-N 3.15Å; Q147-T182 WeakPolarHBondContact CG-OG1 3.41Å
148I40.1Very low37.1Very low67 Ų67113 Ų11334%0.34464%0.636SS.*BIsolated β-bridgetrans-77.4100.9175.5-57.1171.5000107.1Q146 V150Q146-I148 PolarHBondContact O-N 3.03Å; I148-V150 HydrophobicContact CG2-CG2 3.6Å; I148-V150 PolarHBondContact O-N 3.31Å; I148-V150 VanDerWaalsContact O-N 3.16Å
149S37.7Very low37Very low93 Ų93110.8 Ų110.865%0.6564%0.642SS**  trans-81.386.6171.258.60000109.4Q147 Q151Q147-S149 PolarHBondContact O-N 2.94Å; Q147-S149 VanDerWaalsContact O-N 3.15Å; S149-Q151 PolarHBondContact O-N 3Å
150V39.3Very low37.2Very low41 Ų41109.4 Ų109.425%0.24863%0.629CS.*  trans-75.8100.8172-163.50000107.8I148 G152I148-V150 HydrophobicContact CG2-CG2 3.6Å; I148-V150 PolarHBondContact O-N 3.31Å; I148-V150 VanDerWaalsContact O-N 3.16Å; V150-G152 PolarHBondContact O-N 3.29Å
151Q37.7Very low37.8Very low197 Ų197106.6 Ų106.692%0.92161%0.609SS**SBendtrans-70.698.4166.3-88.7-172.1-4.400108.6S149S149-Q151 PolarHBondContact O-N 3Å
152G43.4Very low38.4Very low53 Ų53106.6 Ų106.655%0.54659%0.594SS.*  trans98.977.2165.600000115.7V150V150-G152 PolarHBondContact O-N 3.29Å
153Q46.3Very low39.1Very low109 Ų10999.8 Ų99.851%0.50957%0.565SS.*  trans-91.4105.3148.5-91.2-175.54.300107.7
154Q45.9Very low39.7Very low126 Ų12693.2 Ų93.259%0.58953%0.529SS*.  trans-98.2124.8176.2-61.1-17033.900108.1Y166Q154-Y166 HydrophobicContact CB-CD2 4.42Å; Q154-Y166 HydrophobicContact CB-CE2 4.43Å; Q154-Y166 WeakPolarHBondContact O-CD2 3.44Å
155V47.2Very low40.8Very low108 Ų10886.3 Ų86.366%0.65550%0.499SS*.EExtended strand (participates in β ladder)trans-92101.8153.3-179.40000104.3T163 I164V155-T163 HydrophobicContact CG1-CG2 3.66Å; V155-I164 WeakPolarHBondContact CA-O 3.41Å
156A40.7Very low41.5Very low32 Ų3284 Ų8426%0.26447%0.471SS..EExtended strand (participates in β ladder)trans-98.3121.1178.800000108.2I164A156-I164 PolarHBondContact N-O 3.07Å; A156-I164 PolarHBondContact O-N 3.07Å
157Q34Very low42.3Very low140 Ų14081.4 Ų81.465%0.65446%0.459SS*.EExtended strand (participates in β ladder)trans-100.1111.6173-156170.540.400108Q162Q157-Q162 VanDerWaalsContact CA-O 3.26Å; Q157-Q162 WeakPolarHBondContact CA-O 3.13Å
158T41.3Very low43Very low56 Ų5676.6 Ų76.634%0.34444%0.439SS..  trans-67.1153.3176.2-36.20000108.8D160 G161 Q162T158-D160 WeakPolarHBondContact CG2-OD1 3.48Å; T158-D160 PolarHBondContact O-N 3.15Å; T158-G161 PolarHBondContact O-N 3.1Å; T158-Q162 PolarHBondContact N-O 3.35Å; T158-Q162 VanDerWaalsContact N-O 3.09Å
159A32.8Very low43.5Very low112 Ų11274 Ų7493%0.92643%0.426SS*.THydrogen-bonded Turntrans-56.7-18.1-176.700000114.1
160D37Very low44.2Very low115 Ų11572 Ų7262%0.61541%0.408SS*.THydrogen-bonded Turntrans-87.35.3176.828.7-59.8000113.9T158T158-D160 WeakPolarHBondContact CG2-OD1 3.48Å; T158-D160 PolarHBondContact O-N 3.15Å
161G40.3Very low44.5Very low32 Ų3274 Ų7433%0.3343%0.429SS..SBendtrans83.84.4170.900000115.6T158T158-G161 PolarHBondContact O-N 3.1Å
162Q39.9Very low44.7Very low55 Ų5572 Ų7226%0.25742%0.424SS..  trans-72.9135.1173.2-75.8-173.9-7.600111.2I129 Q157 T158I129-Q162 VanDerWaalsContact CD1-OE1 3.31Å; Q157-Q162 VanDerWaalsContact CA-O 3.26Å; Q157-Q162 WeakPolarHBondContact CA-O 3.13Å; T158-Q162 PolarHBondContact N-O 3.35Å; T158-Q162 VanDerWaalsContact N-O 3.09Å
163T46.3Very low44.9Very low36 Ų3671.9 Ų71.922%0.22142%0.423CS..EExtended strand (participates in β ladder)trans-104.3111.7177.4-55.70000109.1I129 V155 V165I129-T163 PolarHBondContact N-O 2.77Å; V155-T163 HydrophobicContact CG1-CG2 3.66Å; T163-V165 HydrophobicContact CG2-CG2 4.11Å
164I48.8Very low45Very low28 Ų2869.5 Ų69.514%0.14442%0.419CS..EExtended strand (participates in β ladder)trans-92.5118.6176.8-52.5176.8000108.2I129 I131 V155 A156 Y166I129-I164 HydrophobicContact CB-CG1 4.48Å; I129-I164 WeakPolarHBondContact O-CA 3.39Å; I131-I164 HydrophobicContact CD1-CG2 3.71Å; I131-I164 HydrophobicContact CG1-CG2 4.19Å; V155-I164 WeakPolarHBondContact CA-O 3.41Å; A156-I164 PolarHBondContact N-O 3.07Å; A156-I164 PolarHBondContact O-N 3.07Å; I164-Y166 HydrophobicContact CB-CE2 4.26Å; I164-Y166 HydrophobicContact CG2-CD2 3.99Å; I164-Y166 HydrophobicContact CG2-CE2 3.45Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.45Å
165V53.6Low45.1Very low24 Ų2468 Ų6815%0.14542%0.418CS..EExtended strand (participates in β ladder)trans-110118.6178.7-178.50000109.3Q128 I129 I130 I131 T163Q128-V165 HydrophobicContact CG-CG2 4.21Å; I129-V165 PolarHBondContact O-N 3.14Å; I130-V165 WeakPolarHBondContact CA-O 3.26Å; I131-V165 PolarHBondContact N-O 3.47Å; I131-V165 VanDerWaalsContact N-O 3.12Å; T163-V165 HydrophobicContact CG2-CG2 4.11Å
166Y47.9Very low45.3Very low75 Ų7566.5 Ų66.529%0.29441%0.406SS..EExtended strand (participates in β ladder)trans-92.9113.7176.8-68.7-101.9000109.6I131 Q154 I164I131-Y166 HydrophobicContact CB-CD1 4.09Å; I131-Y166 HydrophobicContact CB-CE1 4.19Å; I131-Y166 HydrophobicContact CD1-CE1 3.82Å; I131-Y166 HydrophobicContact CG2-CD1 4.26Å; I131-Y166 HydrophobicContact CG2-CE1 4.24Å; Q154-Y166 HydrophobicContact CB-CD2 4.42Å; Q154-Y166 HydrophobicContact CB-CE2 4.43Å; Q154-Y166 WeakPolarHBondContact O-CD2 3.44Å; I164-Y166 HydrophobicContact CB-CE2 4.26Å; I164-Y166 HydrophobicContact CG2-CD2 3.99Å; I164-Y166 HydrophobicContact CG2-CE2 3.45Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.45Å
167Q52.2Low45.6Very low86 Ų8672.5 Ų72.540%0.40243%0.429SS..EExtended strand (participates in β ladder)trans-110.2113.5179.4-142.1112.388.200108.9I130 I131 V169I130-Q167 HydrophobicContact CG2-CB 4.48Å; I131-Q167 PolarHBondContact O-N 3.19Å; I131-Q167 VanDerWaalsContact O-N 3.16Å; Q167-V169 PolarHBondContact O-N 3.35Å
168P50.9Low45.9Very low24 Ų2473.8 Ų73.816%0.15644%0.435CS..EExtended strand (participates in β ladder)trans-71.5130.2174.928.2-31.5000109.5
169V50.5Low45.9Very low11 Ų1172.9 Ų72.97%0.06744%0.436CS..EExtended strand (participates in β ladder)trans-123152.2174.1-65.70000109Q132 Q133 P134 Q135 Q167Q132-V169 HydrophobicContact CB-CG1 4.48Å; Q132-V169 HydrophobicContact CB-CG2 3.95Å; Q132-V169 HydrophobicContact CG-CG1 4.01Å; Q132-V169 HydrophobicContact CG-CG2 4.38Å; Q133-V169 PolarHBondContact O-N 2.91Å; P134-V169 WeakPolarHBondContact CA-O 3.17Å; Q135-V169 PolarHBondContact N-O 3.12Å; Q167-V169 PolarHBondContact O-N 3.35Å
170N51.3Low46Very low52 Ų5272.3 Ų72.328%0.27842%0.415SS..  trans-68.3165.4171.9-65.8-51.3000110.6D172 G173 S174 L176N170-D172 PolarHBondContact O-N 2.86Å; N170-G173 PolarHBondContact O-N 3.01Å; N170-S174 PolarHBondContact N-O 3.45Å; N170-S174 PolarHBondContact ND2-O 3.29Å; N170-S174 PolarHBondContact ND2-OG 3.03Å; N170-S174 VanDerWaalsContact ND2-OG 3.17Å; N170-L176 VanDerWaalsContact OD1-CD2 3.27Å; N170-L176 WeakPolarHBondContact OD1-CD2 3.3Å
171A46.3Very low46.5Very low84 Ų8469.3 Ų69.369%0.69440%0.399SS*.THydrogen-bonded Turntrans-53.7-23.9174.500000113.6
172D42.8Very low46.5Very low154 Ų15468.5 Ų68.582%0.82439%0.387SS*.THydrogen-bonded Turntrans-91.38.4177.3-59.7-29.5000114N170 S174N170-D172 PolarHBondContact O-N 2.86Å; D172-S174 VanDerWaalsContact C-N 3.26Å; D172-S174 PolarHBondContact O-N 3.13Å
173G46Very low46.7Very low51 Ų5168.2 Ų68.253%0.52639%0.387SS..SBendtrans76.33.2177.900000115.5N170N170-G173 PolarHBondContact O-N 3.01Å
174S48.1Very low46.6Very low59 Ų5969.9 Ų69.941%0.41340%0.399SS..  trans-78.3133.7174.260.60000111.5N170 D172N170-S174 PolarHBondContact N-O 3.45Å; N170-S174 PolarHBondContact ND2-O 3.29Å; N170-S174 PolarHBondContact ND2-OG 3.03Å; N170-S174 VanDerWaalsContact ND2-OG 3.17Å; D172-S174 VanDerWaalsContact C-N 3.26Å; D172-S174 PolarHBondContact O-N 3.13Å
175V49.1Very low46.2Very low95 Ų9571.1 Ų71.158%0.57641%0.413SS*.BIsolated β-bridgetrans-69.1131.2173-165.70000108.3Q177V175-Q177 PolarHBondContact O-N 2.8Å
176L50.7Low45.6Very low75 Ų7574.6 Ų74.639%0.39344%0.444SS..  trans-58.7108.5177.3-77.4165.1000110.2N170N170-L176 VanDerWaalsContact OD1-CD2 3.27Å; N170-L176 WeakPolarHBondContact OD1-CD2 3.3Å
177Q47.2Very low45.4Very low159 Ų15975.4 Ų75.474%0.74346%0.461SS*.  trans-100.3116.9176.7-163.116681.700107.8V175 V218V175-Q177 PolarHBondContact O-N 2.8Å; Q177-V218 HydrophobicContact CG-CG2 4.25Å
178Q40Very low45.2Very low167 Ų16774 Ų7478%0.7846%0.455SS*.  trans83.3106.8-173.3-58.1178.1-26.600115.8
179G42.3Very low44.4Very low36 Ų3677.8 Ų77.837%0.37149%0.489SS..  trans-163.7130.7166.200000110.7I181G179-I181 PolarHBondContact O-N 3.48Å
180M35.6Very low43.9Very low100 Ų10081.3 Ų81.349%0.49353%0.528SS..  trans-71.8119.9164.6-80.1-118.8-70.100108.1T213 T215M180-T213 HydrophobicContact CB-CG2 4.47Å; M180-T213 HydrophobicContact CE-CG2 3.49Å; M180-T213 VanDerWaalsContact CE-CG2 3.49Å; M180-T213 HydrophobicContact SD-CG2 3.54Å; M180-T213 VanDerWaalsContact SD-CG2 3.54Å; M180-T215 HydrophobicContact CG-CG2 4.35Å; M180-T215 HydrophobicContact SD-CG2 4.08Å; M180-T215 PolarHBondContact SD-OG1 3.36Å
181I46.7Very low43.2Very low53 Ų5382 Ų8227%0.27254%0.541SS..EExtended strand (participates in β ladder)trans-95.1118.7179.7-58.7170.8000107.4G179 I183 T213 V214 L216G179-I181 PolarHBondContact O-N 3.48Å; I181-I183 HydrophobicContact CG2-CD1 4.41Å; I181-I183 HydrophobicContact CG2-CG1 3.96Å; I181-T213 WeakPolarHBondContact O-CA 3.29Å; I181-V214 PolarHBondContact N-O 3.13Å; I181-V214 VanDerWaalsContact N-O 3.15Å; I181-V214 PolarHBondContact O-N 3Å; I181-L216 HydrophobicContact CD1-CD1 4.34Å
182T39.3Very low42.4Very low14 Ų1486.8 Ų86.89%0.08655%0.549CS..EExtended strand (participates in β ladder)trans-110.1117.5175.8-510000109.5Q147 T211 V212Q147-T182 WeakPolarHBondContact CG-OG1 3.41Å; T182-T211 HydrophobicContact CG2-CG2 4.35Å; T182-V212 WeakPolarHBondContact CA-O 3.46Å
183I45.3Very low42.2Very low49 Ų4985 Ų8525%0.25154%0.538SS..EExtended strand (participates in β ladder)trans-106.8127.8-175.6-51.2174.6000109.4I181 L188 V212I181-I183 HydrophobicContact CG2-CD1 4.41Å; I181-I183 HydrophobicContact CG2-CG1 3.96Å; I183-L188 HydrophobicContact CG2-CD1 3.9Å; I183-V212 PolarHBondContact N-O 3.42Å; I183-V212 PolarHBondContact O-N 3.48Å
184P43.8Very low41.8Very low72 Ų7288.3 Ų88.347%0.46855%0.548SS..EExtended strand (participates in β ladder)trans-69.8132.6170.9-13.627.7000111.3A186 S187P184-A186 PolarHBondContact O-N 3.37Å; P184-A186 VanDerWaalsContact O-N 3.09Å; P184-S187 PolarHBondContact O-N 3.19Å; P184-S187 VanDerWaalsContact O-N 3.11Å
185A39.9Very low41.2Very low54 Ų5492.1 Ų92.145%0.44656%0.559SS.*G310 helixtrans-59.7-24.6-176.100000114.6S187 L188 G210A185-S187 PolarHBondContact O-N 2.94Å; A185-L188 PolarHBondContact O-N 3.43Å; A185-G210 WeakPolarHBondContact CB-O 3.45Å; A185-G210 PolarHBondContact N-O 3.08Å
186A42.6Very low40.6Very low96 Ų9692 Ų9279%0.79357%0.568SS**G310 helixtrans-65-22.1178.500000113.5P184 L188P184-A186 PolarHBondContact O-N 3.37Å; P184-A186 VanDerWaalsContact O-N 3.09Å; A186-L188 VanDerWaalsContact C-N 3.28Å; A186-L188 PolarHBondContact O-N 3.2Å
187S43.9Very low39.7Very low92 Ų9295 Ų9564%0.64359%0.59SS**G310 helixtrans-82-2.5179.3-54.20000113.7P184 A185P184-S187 PolarHBondContact O-N 3.19Å; P184-S187 VanDerWaalsContact O-N 3.11Å; A185-S187 PolarHBondContact O-N 2.94Å
188L46.4Very low39Very low56 Ų5690.3 Ų90.329%0.29358%0.584SS.*G310 helixtrans-102.212.6-173.6-81.8127.9000114.9I183 A185 A186 G190 I193I183-L188 HydrophobicContact CG2-CD1 3.9Å; A185-L188 PolarHBondContact O-N 3.43Å; A186-L188 VanDerWaalsContact C-N 3.28Å; A186-L188 PolarHBondContact O-N 3.2Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.17Å; L188-I193 HydrophobicContact CD2-CD1 4.02Å; L188-I193 HydrophobicContact CD2-CG1 4.11Å
189A33.9Very low38.7Very low105 Ų10586.8 Ų86.887%0.86859%0.593SS**THydrogen-bonded Turntrans-68.188.7175.100000110.9
190G39.9Very low38.3Very low85 Ų8587.5 Ų87.588%0.87660%0.595SS**THydrogen-bonded Turntrans110.8-1.5170.600000116.9L188L188-G190 VanDerWaalsContact C-N 3.32Å; L188-G190 PolarHBondContact O-N 3.17Å
191A36.6Very low38.2Very low67 Ų6789.8 Ų89.855%0.55461%0.609SS**  trans-110.9122.6179.400000111.7
192Q31.1Very low37.9Very low183 Ų18389.4 Ų89.486%0.85561%0.609SS**  trans-86131.3167.8-78.1-166.9-5.100110.3V194Q192-V194 PolarHBondContact O-N 3.02Å
193I38.7Very low37.7Very low117 Ų11794.5 Ų94.560%0.664%0.636SS**  trans-75110.4171.5-56172.3000107.5L188L188-I193 HydrophobicContact CD2-CD1 4.02Å; L188-I193 HydrophobicContact CD2-CG1 4.11Å
194V37Very low37.5Very low121 Ų12196.5 Ų96.573%0.73365%0.651SS**  trans-90.2114.9176.3179.50000109.3Q192 A196Q192-V194 PolarHBondContact O-N 3.02Å; V194-A196 PolarHBondContact O-N 3.5Å
195Q35.2Very low37.2Very low138 Ų13897.7 Ų97.765%0.64566%0.656SS**  trans-72.8119.5176.3-175.4174.1-0.800110.2T197Q195-T197 PolarHBondContact O-N 3.47Å
196A36.2Very low37.3Very low92 Ų92101.3 Ų101.376%0.7667%0.668SS**  trans-68.4112.1170.800000109.2V194 G198V194-A196 PolarHBondContact O-N 3.5Å; A196-G198 PolarHBondContact O-N 3.2Å
197T31.7Very low37.1Very low140 Ų14099.2 Ų99.286%0.85965%0.648SS**  trans-72.992174.940.80000110.4Q195Q195-T197 PolarHBondContact O-N 3.47Å
198G32.6Very low37.1Very low60 Ų6098.9 Ų98.962%0.61966%0.659SS**SBendtrans-147.2119.2163.200000107.4A196 A200A196-G198 PolarHBondContact O-N 3.2Å; G198-A200 PolarHBondContact O-N 3.08Å
199G34.7Very low36.6Very low93 Ų93104.4 Ų104.496%0.95968%0.683SS**SBendtrans-49.899.2-163.400000116.5
200A32.4Very low37Very low50 Ų50101.9 Ų101.941%0.41367%0.668SS.*  trans-155.112415700000107.6G198 T202 P217G198-A200 PolarHBondContact O-N 3.08Å; A200-T202 PolarHBondContact O-N 3.49Å; A200-P217 HydrophobicContact CB-CG 4.4Å
201N34.2Very low37Very low149 Ų149100.4 Ų100.480%0.79764%0.642SS**  trans-65.6102.2-178.4-93-21.6000110.7P217N201-P217 WeakPolarHBondContact O-CD 3.36Å; N201-P217 VanDerWaalsContact O-CG 3.25Å; N201-P217 WeakPolarHBondContact O-CG 3.46Å
202T39.6Very low37.1Very low45 Ų4598.6 Ų98.628%0.27662%0.624SS.*  trans-79.5119.4164.233.90000109.5A200 T204 L216A200-T202 PolarHBondContact O-N 3.49Å; T202-T204 PolarHBondContact O-N 3.26Å; T202-L216 HydrophobicContact CG2-CG 4.33Å
203N36.8Very low37.5Very low120 Ų12091.3 Ų91.364%0.64259%0.592SS**EExtended strand (participates in β ladder)trans-86.4108.5171.5-96.86000109.3
204T39.4Very low37.7Very low92 Ų9287.1 Ų87.156%0.56457%0.572SS**EExtended strand (participates in β ladder)trans-92.1112.2169.8-56.20000108.2T202 V212T202-T204 PolarHBondContact O-N 3.26Å; T204-V212 HydrophobicContact CG2-CG1 4.18Å
205T37.8Very low37.7Very low96 Ų9684.4 Ų84.459%0.58956%0.556SS**EExtended strand (participates in β ladder)trans-105.5116.4174.2-53.60000108.7S207T205-S207 PolarHBondContact O-N 2.97Å
206N42.3Very low38Very low130 Ų13083 Ų8370%0.69555%0.552SS**EExtended strand (participates in β ladder)trans-87.697.3175.5-164-3.8000108.5
207S38.8Very low37.9Very low52 Ų5282 Ų8236%0.36454%0.538SS..EExtended strand (participates in β ladder)trans-77.3122.8168.944.90000108T205 Q209 T211T205-S207 PolarHBondContact O-N 2.97Å; S207-Q209 PolarHBondContact O-N 3.35Å; S207-T211 PolarHBondContact OG-O 3.5Å
208G42.8Very low38.4Very low86 Ų8679.8 Ų79.889%0.88752%0.524SS*.THydrogen-bonded Turntrans-61.323.8-177.900000116.8
209Q36.8Very low38.4Very low171 Ų17181.5 Ų81.580%0.79953%0.527SS*.THydrogen-bonded Turntrans-123.769.5172.6-70.9179.8-13.600109.6S207 T211S207-Q209 PolarHBondContact O-N 3.35Å; Q209-T211 PolarHBondContact O-N 2.9Å; Q209-T211 PolarHBondContact O-OG1 2.99Å; Q209-T211 VanDerWaalsContact O-OG1 3.06Å
210G42.9Very low38.4Very low53 Ų5380 Ų8055%0.54651%0.511SS..THydrogen-bonded Turntrans57.811.4155.400000119.8A185A185-G210 WeakPolarHBondContact CB-O 3.45Å; A185-G210 PolarHBondContact N-O 3.08Å
211T38.6Very low38.9Very low53 Ų5385.5 Ų85.533%0.32553%0.534SS..EExtended strand (participates in β ladder)trans-137.4138-177.348.30000110.6T182 S207 Q209T182-T211 HydrophobicContact CG2-CG2 4.35Å; S207-T211 PolarHBondContact OG-O 3.5Å; Q209-T211 PolarHBondContact O-N 2.9Å; Q209-T211 PolarHBondContact O-OG1 2.99Å; Q209-T211 VanDerWaalsContact O-OG1 3.06Å
212V39.8Very low38.9Very low30 Ų3086.5 Ų86.518%0.18254%0.535CS..EExtended strand (participates in β ladder)trans-109121.3176.5-177.60000108.7T182 I183 T204 V214T182-V212 WeakPolarHBondContact CA-O 3.46Å; I183-V212 PolarHBondContact N-O 3.42Å; I183-V212 PolarHBondContact O-N 3.48Å; T204-V212 HydrophobicContact CG2-CG1 4.18Å; V212-V214 HydrophobicContact CG1-CG2 4.37Å
213T38.3Very low38.7Very low29 Ų2991 Ų9118%0.17856%0.562CS.*EExtended strand (participates in β ladder)trans-106.4121.3178.7-51.10000109.9M180 I181M180-T213 HydrophobicContact CB-CG2 4.47Å; M180-T213 HydrophobicContact CE-CG2 3.49Å; M180-T213 VanDerWaalsContact CE-CG2 3.49Å; M180-T213 HydrophobicContact SD-CG2 3.54Å; M180-T213 VanDerWaalsContact SD-CG2 3.54Å; I181-T213 WeakPolarHBondContact O-CA 3.29Å
214V42.9Very low39Very low30 Ų3092.7 Ų92.718%0.18257%0.572CS.*EExtended strand (participates in β ladder)trans-109.4120.3178.4-1750000109.4I181 V212 L216I181-V214 PolarHBondContact N-O 3.13Å; I181-V214 VanDerWaalsContact N-O 3.15Å; I181-V214 PolarHBondContact O-N 3Å; V212-V214 HydrophobicContact CG1-CG2 4.37Å; V214-L216 HydrophobicContact CG1-CD1 4.13Å
215T37.2Very low38.6Very low64 Ų6492.8 Ų92.839%0.39358%0.582SS.*EExtended strand (participates in β ladder)trans-104.9120.6174.5-42.40000109.2M180M180-T215 HydrophobicContact CG-CG2 4.35Å; M180-T215 HydrophobicContact SD-CG2 4.08Å; M180-T215 PolarHBondContact SD-OG1 3.36Å
216L42.3Very low38.6Very low108 Ų10892 Ų9257%0.56559%0.593SS**PPolyproline II helixtrans-97.2121.1175.1-68.390.2000110.2I181 T202 V214I181-L216 HydrophobicContact CD1-CD1 4.34Å; T202-L216 HydrophobicContact CG2-CG 4.33Å; V214-L216 HydrophobicContact CG1-CD1 4.13Å
217P34.6Very low38Very low72 Ų7289 Ų8947%0.46859%0.593SS.*PPolyproline II helixtrans-80.5133.5168.431.4-31.4000110.6A200 N201A200-P217 HydrophobicContact CB-CG 4.4Å; N201-P217 WeakPolarHBondContact O-CD 3.36Å; N201-P217 VanDerWaalsContact O-CG 3.25Å; N201-P217 WeakPolarHBondContact O-CG 3.46Å
218V42.6Very low37.5Very low92 Ų9293.8 Ų93.856%0.55861%0.611SS**PPolyproline II helixtrans-92132.7174.8101.70000109.2Q177Q177-V218 HydrophobicContact CG-CG2 4.25Å
219S30.9Very low36.9Very low97 Ų9794.9 Ų94.968%0.67860%0.601SS**  trans-149.3100.3158.251.30000110
220G35.4Very low36.5Very low62 Ų6294.6 Ų94.664%0.63960%0.601SS**SBendtrans69.8123.7150.900000118.3M222G220-M222 PolarHBondContact O-N 2.68Å
221N42.6Very low36Very low165 Ų16598 Ų9888%0.88261%0.611SS**  trans-2.998.3163.7-80.235.2000116.5
222M33.6Very low35.7Very low169 Ų169105.7 Ų105.783%0.83363%0.634SS**  trans-130.288.1156.3-66.7-166.7-13200108.3G220G220-M222 PolarHBondContact O-N 2.68Å
223V35.5Very low35.6Very low139 Ų139109.8 Ų109.884%0.84266%0.662SS**  trans-74.5128.6154.1-860000107
224N44.9Very low35.3Very low156 Ų156114.5 Ų114.583%0.83469%0.694SS**  trans76.590.5163.8-151.7-34.1000116.7
225A29.8Very low34.9Very low95 Ų95117.4 Ų117.479%0.78572%0.721SS**  trans-147.297.9149.600000108.4G227A225-G227 PolarHBondContact O-N 3.1Å; A225-G227 VanDerWaalsContact O-N 3.08Å
226G37.6Very low34.6Very low79 Ų79123.7 Ų123.781%0.81475%0.746SS**  trans-64.1103.4172.800000110.7
227G30.8Very low34.4Very low68 Ų68127.4 Ų127.470%0.70176%0.763SS**  trans-83.7109.1171.800000110.7A225 V229A225-G227 PolarHBondContact O-N 3.1Å; A225-G227 VanDerWaalsContact O-N 3.08Å; G227-V229 PolarHBondContact O-N 3.39Å
228M28.5Very low34.5Very low151 Ų151130.5 Ų130.574%0.74478%0.78SS**  trans-71.1121.4171.4-66.6-78.6-80.400109.8
229V30.5Very low34.5Very low110 Ų110132.4 Ų132.467%0.66780%0.795SS**  trans-95.2113.9175.2177.50000109.6G227 V231G227-V229 PolarHBondContact O-N 3.39Å; V229-V231 HydrophobicContact CG1-CG2 4.44Å
230M26.6Very low34.7Very low164 Ų164131.5 Ų131.581%0.80880%0.8SS**  trans-86.9108.1172-159.6-105.1-83.200109.1R232M230-R232 PolarHBondContact O-N 3.15Å
231V33.2Very low34.9Very low124 Ų124132.3 Ų132.375%0.75281%0.809SS**  trans-77.8110.6179-177.70000109.1V229V229-V231 HydrophobicContact CG1-CG2 4.44Å
232R31.6Very low35Very low215 Ų215129 Ų12981%0.81181%0.814SS**PPolyproline II helixtrans-98.2116169.4-151.6162.1100.5164.85.9107.6M230 C234M230-R232 PolarHBondContact O-N 3.15Å; R232-C234 PolarHBondContact O-N 2.89Å
233P39.5Very low35.1Very low117 Ų117124.2 Ų124.276%0.7681%0.808SS**PPolyproline II helixtrans-74.5117.9174.328.1-29.7000108.9
234C32Very low35.3Very low127 Ų127124.1 Ų124.186%0.85881%0.807SS**PPolyproline II helixtrans-87.8119.7161.555.10000108.4R232R232-C234 PolarHBondContact O-N 2.89Å
235A32.8Very low35Very low91 Ų91122.8 Ų122.875%0.75281%0.807SS**  trans-135.3108.1162.500000109
236E32.5Very low35.4Very low197 Ų197124.1 Ų124.192%0.92181%0.806SS**  trans70.4128.6138.9-131.5162.6171.100121.2
237M37.1Very low35.6Very low186 Ų186128.9 Ų128.992%0.91681%0.809SS**  trans-81.8127.3-175.8-64.8162.486.900111
238V36.6Very low36Very low137 Ų137134.4 Ų134.483%0.8382%0.816SS**  trans-136.5129.9152.3175.20000107.4
239P41.8Very low36.5Very low132 Ų132137 Ų13786%0.85782%0.818SS**  trans-87.3119.2-179.232.2-27.6000110.4
240G36.3Very low37.2Very low77 Ų77138.5 Ų138.579%0.79482%0.82SS**  trans145.6119.5159.800000115.6
241G39.2Very low37.8Very low80 Ų80136.4 Ų136.483%0.82582%0.819SS**  trans93.5110156.500000115.6G243G241-G243 PolarHBondContact O-N 3.31Å
242G44.2Very low38.2Very low96 Ų96136.7 Ų136.799%0.9982%0.816SS**  trans-58.8124.8179.600000113.7
243G36.1Very low38.8Very low68 Ų68132.9 Ų132.970%0.70182%0.819SS**  trans-152.3124.8168.800000108.6G241G241-G243 PolarHBondContact O-N 3.31Å
244V40.6Very low39.1Very low137 Ų137131 Ų13183%0.8382%0.821SS**PPolyproline II helixtrans-59.9130.4173.5-740000109.9T246V244-T246 PolarHBondContact O-N 3.24Å
245P37.4Very low39.7Very low127 Ų127127.9 Ų127.983%0.82580%0.804SS**PPolyproline II helixtrans-73.5124-179.327.9-31.9000110.1
246T39.4Very low40.4Very low124 Ų124130.4 Ų130.476%0.76180%0.801SS**PPolyproline II helixtrans-75.3122.9170.865.50000108.1V244 Q248V244-T246 PolarHBondContact O-N 3.24Å; T246-Q248 PolarHBondContact O-N 3.34Å; T246-Q248 VanDerWaalsContact O-N 3.07Å
247M41.3Very low40.9Very low179 Ų179127.8 Ų127.888%0.88279%0.79SS**  trans-66.2106.5170.5-80.9169.5105.400108.8R249M247-R249 PolarHBondContact O-N 3.18Å; M247-R249 VanDerWaalsContact O-N 3.15Å
248Q39.8Very low41.3Very low184 Ų184125.9 Ų125.986%0.8678%0.783SS**  trans-8189.3167.8-160.1165.94.100108.2T246 I250T246-Q248 PolarHBondContact O-N 3.34Å; T246-Q248 VanDerWaalsContact O-N 3.07Å; Q248-I250 PolarHBondContact O-N 2.99Å
249R37.6Very low42.1Very low204 Ų204128 Ų12877%0.7778%0.784SS**  trans-64.9116.9171.1-81.2-149.1-169.5-172.54.4109.3M247 P251M247-R249 PolarHBondContact O-N 3.18Å; M247-R249 VanDerWaalsContact O-N 3.15Å; R249-P251 WeakPolarHBondContact O-CD 3.34Å
250I45.6Very low42.8Very low142 Ų142128.5 Ų128.573%0.72878%0.775SS**  trans-70.1119.7162.1-60.5161.4000106.8Q248 L252Q248-I250 PolarHBondContact O-N 2.99Å; I250-L252 HydrophobicContact CG2-CD1 4.31Å; I250-L252 PolarHBondContact O-N 3.13Å; I250-L252 VanDerWaalsContact O-N 3.13Å
251P40.3Very low43.6Very low120 Ų120133.4 Ų133.478%0.77978%0.777SS**  trans-72.1105173.9-13.529.3000109.2R249R249-P251 WeakPolarHBondContact O-CD 3.34Å
252L41.5Very low45.1Very low131 Ų131133.7 Ų133.769%0.68676%0.764SS**  trans-73.6127.8165.1-90.576.9000108.6I250 G254I250-L252 HydrophobicContact CG2-CD1 4.31Å; I250-L252 PolarHBondContact O-N 3.13Å; I250-L252 VanDerWaalsContact O-N 3.13Å; L252-G254 PolarHBondContact O-N 3.35Å
253P43.2Very low46.3Very low134 Ų134135.9 Ų135.987%0.8775%0.752SS**THydrogen-bonded Turntrans-75112176.930.3-29.4000108.9
254G45.7Very low48.7Very low79 Ų79143.1 Ų143.181%0.81476%0.76SS**THydrogen-bonded Turntrans123.6-4.7162.400000118.3L252L252-G254 PolarHBondContact O-N 3.35Å
255A43.9Very low51.2Low60 Ų60138.6 Ų138.650%0.49673%0.732SS.*  trans-97.44.4-175.200000115.8M257 L258A255-M257 VanDerWaalsContact C-N 3.28Å; A255-M257 PolarHBondContact O-N 3.46Å; A255-L258 PolarHBondContact O-N 3.26Å
256E47.5Very low53.9Low145 Ų145136.8 Ų136.868%0.67872%0.716SS**THydrogen-bonded Turntrans-81.2-2.5-174.7-71.1-106.8133.700114.2
257M43Very low56.3Low142 Ų142134.8 Ų134.870%0.771%0.712SS**THydrogen-bonded Turntrans-108.19.1174-72-86.871.300113.3A255 E259 Q278A255-M257 VanDerWaalsContact C-N 3.28Å; A255-M257 PolarHBondContact O-N 3.46Å; M257-E259 PolarHBondContact O-N 3.4Å; M257-Q278 HydrophobicContact CE-CG 4.47Å
258L45.9Very low58.9Low145 Ų145135.6 Ų135.676%0.75971%0.711SS**SBendtrans-80.6113.2170.9-116.4152.5000107.9A255 E260A255-L258 PolarHBondContact O-N 3.26Å; L258-E260 PolarHBondContact O-N 3.06Å
259E53Low61.5Low182 Ų182130.8 Ų130.885%0.8569%0.688SS**  trans-42.1102.8-179.4-65.1172.5152.100111.2M257 E261M257-E259 PolarHBondContact O-N 3.4Å; E259-E261 PolarHBondContact O-N 3.44Å; E259-E261 VanDerWaalsContact O-N 3.1Å
260E56.7Low64.2Low143 Ų143125.4 Ų125.467%0.66867%0.669SS**  trans-56116.5165.9-174.6-178.6-173.500106.7L258 R277L258-E260 PolarHBondContact O-N 3.06Å; E260-R277 IonicContact OE2-CZ 3.98Å; E260-R277 IonicContact OE2-NH1 3.3Å; E260-R277 PolarHBondContact OE2-NH1 3.11Å
261E53.7Low66.4Low179 Ų179125 Ų12584%0.83666%0.663SS**  trans-43.2121.5-177.3-165.2173.3-175.900109.7E259 L263E259-E261 PolarHBondContact O-N 3.44Å; E259-E261 VanDerWaalsContact O-N 3.1Å; E261-L263 PolarHBondContact O-N 2.81Å
262P70Confident69.1Low86 Ų86125.9 Ų125.956%0.55865%0.651SS**  trans-69.696.5-165.224.3-32.4000110.4Y264 Y270P262-Y264 PolarHBondContact O-N 2.68Å; P262-Y270 HydrophobicContact CB-CE2 3.85Å
263L70.9Confident71.7Confident142 Ų142121.6 Ų121.674%0.74363%0.628SS**  trans-51.6124.3162.8-176.968000107.5E261 V265E261-L263 PolarHBondContact O-N 2.81Å; L263-V265 WeakPolarHBondContact O-CG1 3.48Å; L263-V265 PolarHBondContact O-N 3.46Å
264Y85.4Confident74Confident220 Ų220119 Ų11986%0.86361%0.607SS**  trans-60.1103.5-177.5-175.6-101.2000110.1P262P262-Y264 PolarHBondContact O-N 2.68Å
265V92.9Very high76.4Confident42 Ų42122.4 Ų122.426%0.25560%0.599SS.*  trans-106.3170.9174.7-66.10000109.5L263 A267 Y270 I273L263-V265 WeakPolarHBondContact O-CG1 3.48Å; L263-V265 PolarHBondContact O-N 3.46Å; V265-A267 PolarHBondContact O-N 2.9Å; V265-A267 VanDerWaalsContact O-N 3.16Å; V265-Y270 HydrophobicContact CG2-CD2 3.73Å; V265-Y270 HydrophobicContact CG2-CG 4.36Å; V265-I273 HydrophobicContact CB-CD1 4.14Å; V265-I273 HydrophobicContact CG1-CD1 4.25Å; V265-I273 HydrophobicContact CG2-CD1 4.05Å
266N94.4Very high78.9Confident90 Ų90126.9 Ų126.948%0.48160%0.603SS.*  trans-54.8124.8173.6-173.1-52.8000110.8K268 Q269 Y270N266-K268 PolarHBondContact O-N 3.07Å; N266-K268 VanDerWaalsContact O-N 3.11Å; N266-K268 WeakPolarHBondContact OD1-CB 3.43Å; N266-K268 PolarHBondContact OD1-N 2.97Å; N266-Q269 HydrophobicContact CB-CB 4.37Å; N266-Q269 HydrophobicContact CB-CG 4.09Å; N266-Q269 PolarHBondContact O-N 2.98Å; N266-Y270 PolarHBondContact O-N 2.8Å
267A89.9Confident81.1Confident82 Ų82125.2 Ų125.268%0.67859%0.591SS**THydrogen-bonded Turntrans-53.1-35.5-177.200000113.4V265 Q269V265-A267 PolarHBondContact O-N 2.9Å; V265-A267 VanDerWaalsContact O-N 3.16Å; A267-Q269 PolarHBondContact O-N 3.25Å
268K95.1Very high83.6Confident195 Ų195123 Ų12385%0.84858%0.578SS**THydrogen-bonded Turntrans-69.8-17.3178.3-66.3-173.2173.3-1790113.4N266N266-K268 PolarHBondContact O-N 3.07Å; N266-K268 VanDerWaalsContact O-N 3.11Å; N266-K268 WeakPolarHBondContact OD1-CB 3.43Å; N266-K268 PolarHBondContact OD1-N 2.97Å
269Q95.3Very high85.8Confident83 Ų83118.6 Ų118.639%0.38856%0.563SS.*THydrogen-bonded Turntrans-107-24-172.1-58.2-172.22.900113.6N266 A267 H271 R272 I273N266-Q269 HydrophobicContact CB-CB 4.37Å; N266-Q269 HydrophobicContact CB-CG 4.09Å; N266-Q269 PolarHBondContact O-N 2.98Å; A267-Q269 PolarHBondContact O-N 3.25Å; Q269-H271 PolarHBondContact O-N 3.17Å; Q269-R272 CarbonylContact O-C 3.59Å; Q269-R272 WeakPolarHBondContact O-CA 3.32Å; Q269-R272 WeakPolarHBondContact O-CB 3.08Å; Q269-R272 PolarHBondContact O-N 2.94Å; Q269-I273 HydrophobicContact CB-CD1 3.73Å; Q269-I273 HydrophobicContact CB-CG1 4.19Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 3.49Å
270Y93.4Very high87.8Confident92 Ų92115.9 Ų115.936%0.36155%0.545SS..Hα-helixtrans-43.7-61.9-171.6179.3-108.4000114.1P262 V265 N266 R272 I273 L274P262-Y270 HydrophobicContact CB-CE2 3.85Å; V265-Y270 HydrophobicContact CG2-CD2 3.73Å; V265-Y270 HydrophobicContact CG2-CG 4.36Å; N266-Y270 PolarHBondContact O-N 2.8Å; Y270-R272 VanDerWaalsContact C-N 3.26Å; Y270-R272 PolarHBondContact O-N 3.09Å; Y270-I273 WeakPolarHBondContact O-CB 3.44Å; Y270-I273 PolarHBondContact O-N 2.84Å; Y270-I273 VanDerWaalsContact O-N 3.12Å; Y270-L274 PolarHBondContact O-N 3.31Å
271H93.4Very high89.4Confident133 Ų133110.7 Ų110.762%0.61653%0.527SS*.Hα-helixtrans-60.2-34-179.4-64.6100.2000113.4Q269 K275Q269-H271 PolarHBondContact O-N 3.17Å; H271-K275 WeakPolarHBondContact O-CG 3.47Å; H271-K275 PolarHBondContact O-N 2.97Å; H271-K275 VanDerWaalsContact O-N 3.17Å
272R96.7Very high91.2Very high138 Ų138108.8 Ų108.852%0.52152%0.516SS..Hα-helixtrans-75.7-34.4179.3-167.4175.367.5-154.41.1111.7Q269 Y270 L274 R276Q269-R272 CarbonylContact O-C 3.59Å; Q269-R272 WeakPolarHBondContact O-CA 3.32Å; Q269-R272 WeakPolarHBondContact O-CB 3.08Å; Q269-R272 PolarHBondContact O-N 2.94Å; Y270-R272 VanDerWaalsContact C-N 3.26Å; Y270-R272 PolarHBondContact O-N 3.09Å; R272-L274 VanDerWaalsContact C-N 3.35Å; R272-R276 WeakPolarHBondContact O-CB 3.42Å; R272-R276 WeakPolarHBondContact O-CG 3.36Å; R272-R276 PolarHBondContact O-N 2.78Å
273I94.8Very high92.2Very high42 Ų42107.9 Ų107.922%0.21551%0.506CS..Hα-helixtrans-61.5-47.3172.9-70.5166.2000109.1V265 Q269 Y270 K275 R276 R277V265-I273 HydrophobicContact CB-CD1 4.14Å; V265-I273 HydrophobicContact CG1-CD1 4.25Å; V265-I273 HydrophobicContact CG2-CD1 4.05Å; Q269-I273 HydrophobicContact CB-CD1 3.73Å; Q269-I273 HydrophobicContact CB-CG1 4.19Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 3.49Å; Y270-I273 WeakPolarHBondContact O-CB 3.44Å; Y270-I273 PolarHBondContact O-N 2.84Å; Y270-I273 VanDerWaalsContact O-N 3.12Å; I273-K275 PolarHBondContact O-N 3.23Å; I273-R276 PolarHBondContact O-N 3.15Å; I273-R277 HydrophobicContact CG2-CG 4.42Å; I273-R277 VanDerWaalsContact CG2-NE 3.33Å; I273-R277 WeakPolarHBondContact O-CG 3.4Å; I273-R277 PolarHBondContact O-N 3.16Å
274L92.8Very high93Very high80 Ų80106 Ų10642%0.41949%0.493SS..Hα-helixtrans-58.6-49.1179-170.561.6000111.8Y270 R272 R276 R277 Q278Y270-L274 PolarHBondContact O-N 3.31Å; R272-L274 VanDerWaalsContact C-N 3.35Å; L274-R276 VanDerWaalsContact C-N 3.34Å; L274-R276 PolarHBondContact O-N 3.22Å; L274-R277 WeakPolarHBondContact O-CB 3.47Å; L274-R277 PolarHBondContact O-N 3.17Å; L274-R277 VanDerWaalsContact O-N 3.14Å; L274-Q278 PolarHBondContact O-N 3.37Å; L274-Q278 VanDerWaalsContact O-N 3.07Å
275K95.4Very high93.1Very high149 Ų149100 Ų10065%0.64849%0.489SS*.Hα-helixtrans-58.9-41.2175.6-71.7-179179.5-174.10113H271 I273 A279H271-K275 WeakPolarHBondContact O-CG 3.47Å; H271-K275 PolarHBondContact O-N 2.97Å; H271-K275 VanDerWaalsContact O-N 3.17Å; I273-K275 PolarHBondContact O-N 3.23Å; K275-A279 WeakPolarHBondContact O-CB 3.35Å; K275-A279 PolarHBondContact O-N 3.09Å
276R96.7Very high92.9Very high155 Ų155102.3 Ų102.359%0.58550%0.497SS*.Hα-helixtrans-69.9-30.4177.6-75.2-178.8177.5-156.6-1112.9R272 I273 L274 R280R272-R276 WeakPolarHBondContact O-CB 3.42Å; R272-R276 WeakPolarHBondContact O-CG 3.36Å; R272-R276 PolarHBondContact O-N 2.78Å; I273-R276 PolarHBondContact O-N 3.15Å; L274-R276 VanDerWaalsContact C-N 3.34Å; L274-R276 PolarHBondContact O-N 3.22Å; R276-R280 WeakPolarHBondContact O-CB 3.48Å; R276-R280 WeakPolarHBondContact O-CG 3.41Å; R276-R280 PolarHBondContact O-N 3.05Å; R276-R280 PolarHBondContact O-NE 3.19Å
277R94.6Very high92.5Very high109 Ų109100.7 Ų100.741%0.41150%0.502SS..Hα-helixtrans-66.8-50.4173.7-73.6173.7-176.4-97.60.6110.3E260 I273 L274 A279 R280 A281E260-R277 IonicContact OE2-CZ 3.98Å; E260-R277 IonicContact OE2-NH1 3.3Å; E260-R277 PolarHBondContact OE2-NH1 3.11Å; I273-R277 HydrophobicContact CG2-CG 4.42Å; I273-R277 VanDerWaalsContact CG2-NE 3.33Å; I273-R277 WeakPolarHBondContact O-CG 3.4Å; I273-R277 PolarHBondContact O-N 3.16Å; L274-R277 WeakPolarHBondContact O-CB 3.47Å; L274-R277 PolarHBondContact O-N 3.17Å; L274-R277 VanDerWaalsContact O-N 3.14Å; R277-A279 VanDerWaalsContact C-N 3.32Å; R277-A279 PolarHBondContact O-N 3.46Å; R277-R280 PolarHBondContact O-N 3.23Å; R277-R280 VanDerWaalsContact O-N 3.13Å; R277-A281 PolarHBondContact O-N 3.25Å
278Q93.8Very high92.3Very high95 Ų95103.2 Ų103.244%0.44450%0.498SS..Hα-helixtrans-55.8-45.4174.8-67.5172.1-7.200112M257 L274 R280 A281 K282M257-Q278 HydrophobicContact CE-CG 4.47Å; L274-Q278 PolarHBondContact O-N 3.37Å; L274-Q278 VanDerWaalsContact O-N 3.07Å; Q278-R280 PolarHBondContact O-N 2.87Å; Q278-A281 PolarHBondContact O-N 3.16Å; Q278-K282 PolarHBondContact O-N 3.32Å; Q278-K282 VanDerWaalsContact O-N 3.08Å
279A93.1Very high91.8Very high53 Ų5397.1 Ų97.144%0.43847%0.474SS..Hα-helixtrans-64.2-39.3177.600000113K275 R277 L283K275-A279 WeakPolarHBondContact O-CB 3.35Å; K275-A279 PolarHBondContact O-N 3.09Å; R277-A279 VanDerWaalsContact C-N 3.32Å; R277-A279 PolarHBondContact O-N 3.46Å; A279-L283 WeakPolarHBondContact O-CG 3.25Å; A279-L283 PolarHBondContact O-N 3.09Å; A279-L283 VanDerWaalsContact O-N 3.13Å
280R94.3Very high91.4Very high125 Ų12598.2 Ų98.247%0.47249%0.488SS..Hα-helixtrans-68.2-45.5175.6-79.5-174.2-69.4159.4-0.9112R276 R277 Q278 K282 L283 E284R276-R280 WeakPolarHBondContact O-CB 3.48Å; R276-R280 WeakPolarHBondContact O-CG 3.41Å; R276-R280 PolarHBondContact O-N 3.05Å; R276-R280 PolarHBondContact O-NE 3.19Å; R277-R280 PolarHBondContact O-N 3.23Å; R277-R280 VanDerWaalsContact O-N 3.13Å; Q278-R280 PolarHBondContact O-N 2.87Å; R280-K282 PolarHBondContact O-N 3.3Å; R280-L283 CarbonylContact O-C 3.57Å; R280-L283 PolarHBondContact O-N 3.47Å; R280-E284 WeakPolarHBondContact O-CB 3.47Å; R280-E284 WeakPolarHBondContact O-CG 3.37Å; R280-E284 PolarHBondContact O-N 3.36Å
281A90.6Very high91Very high34 Ų34103.4 Ų103.428%0.28151%0.512SS..Hα-helixtrans-55.3-42.7176.500000111.3R277 Q278 E284 A285R277-A281 PolarHBondContact O-N 3.25Å; Q278-A281 PolarHBondContact O-N 3.16Å; A281-E284 PolarHBondContact O-N 3.44Å; A281-A285 WeakPolarHBondContact O-CB 3.35Å; A281-A285 PolarHBondContact O-N 3.12Å
282K92.3Very high90.7Very high139 Ų139105 Ų10560%0.60452%0.52SS*.Hα-helixtrans-61.4-46.6173.4-173.5174.9179.8176.50112.9Q278 R280 E284 A285 E286Q278-K282 PolarHBondContact O-N 3.32Å; Q278-K282 VanDerWaalsContact O-N 3.08Å; R280-K282 PolarHBondContact O-N 3.3Å; K282-E284 VanDerWaalsContact C-N 3.33Å; K282-E284 PolarHBondContact O-N 2.93Å; K282-A285 PolarHBondContact O-N 3.32Å; K282-E286 WeakPolarHBondContact CE-OE1 3.39Å; K282-E286 WeakPolarHBondContact O-CB 3.45Å; K282-E286 VanDerWaalsContact O-CG 3.31Å; K282-E286 WeakPolarHBondContact O-CG 3.43Å; K282-E286 PolarHBondContact O-N 3.26Å
283L90.1Very high90.6Very high68 Ų68110 Ų11036%0.35654%0.539SS..Hα-helixtrans-68.5-30.2178.5-70.1174.7000113.3A279 R280 G287 K288 I289A279-L283 WeakPolarHBondContact O-CG 3.25Å; A279-L283 PolarHBondContact O-N 3.09Å; A279-L283 VanDerWaalsContact O-N 3.13Å; R280-L283 CarbonylContact O-C 3.57Å; R280-L283 PolarHBondContact O-N 3.47Å; L283-G287 PolarHBondContact O-N 3.18Å; L283-K288 HydrophobicContact CD2-CB 4.32Å; L283-K288 HydrophobicContact CD2-CD 3.61Å; L283-K288 PolarHBondContact O-N 2.89Å; L283-I289 HydrophobicContact CB-CD1 3.85Å; L283-I289 HydrophobicContact CB-CG1 4.17Å; L283-I289 HydrophobicContact CD1-CD1 4.45Å
284E89.2Confident90.6Very high102 Ų102115.7 Ų115.748%0.47756%0.558SS.*Hα-helixtrans-72.7-41.1174.6-73.1175.4-160.100111.4R280 A281 K282 E286 G287 I289R280-E284 WeakPolarHBondContact O-CB 3.47Å; R280-E284 WeakPolarHBondContact O-CG 3.37Å; R280-E284 PolarHBondContact O-N 3.36Å; A281-E284 PolarHBondContact O-N 3.44Å; K282-E284 VanDerWaalsContact C-N 3.33Å; K282-E284 PolarHBondContact O-N 2.93Å; E284-E286 VanDerWaalsContact C-N 3.31Å; E284-E286 PolarHBondContact O-N 3.06Å; E284-G287 WeakPolarHBondContact O-CA 3.44Å; E284-G287 PolarHBondContact O-N 3.27Å; E284-I289 HydrophobicContact CG-CB 4.34Å; E284-I289 HydrophobicContact CG-CD1 4.06Å
285A86.1Confident90.7Very high94 Ų94121.2 Ų121.278%0.77758%0.578SS**Hα-helixtrans-63.5-37172.300000112A281 K282 G287A281-A285 WeakPolarHBondContact O-CB 3.35Å; A281-A285 PolarHBondContact O-N 3.12Å; K282-A285 PolarHBondContact O-N 3.32Å; A285-G287 PolarHBondContact O-N 3.31Å
286E88.4Confident90.7Very high90 Ų90117.8 Ų117.842%0.42156%0.562SS.*THydrogen-bonded Turntrans-74.7-4.1171.7-69.6174.3-164.400113.3K282 E284 K288K282-E286 WeakPolarHBondContact CE-OE1 3.39Å; K282-E286 WeakPolarHBondContact O-CB 3.45Å; K282-E286 VanDerWaalsContact O-CG 3.31Å; K282-E286 WeakPolarHBondContact O-CG 3.43Å; K282-E286 PolarHBondContact O-N 3.26Å; E284-E286 VanDerWaalsContact C-N 3.31Å; E284-E286 PolarHBondContact O-N 3.06Å; E286-K288 HydrophobicContact CB-CD 4.31Å; E286-K288 HydrophobicContact CB-CG 4.26Å; E286-K288 PolarHBondContact O-N 3.43Å; E286-K288 WeakPolarHBondContact OE2-CD 3.37Å; E286-K288 WeakPolarHBondContact OE2-CE 3.42Å; E286-K288 IonicContact OE2-NZ 2.68Å; E286-K288 PolarHBondContact OE2-NZ 3.31Å
287G86.2Confident90.7Very high57 Ų57116 Ų11659%0.58856%0.563SS**THydrogen-bonded Turntrans6812.6178.800000115.1L283 E284 A285 I289L283-G287 PolarHBondContact O-N 3.18Å; E284-G287 WeakPolarHBondContact O-CA 3.44Å; E284-G287 PolarHBondContact O-N 3.27Å; A285-G287 PolarHBondContact O-N 3.31Å; G287-I289 VanDerWaalsContact C-N 3.3Å; G287-I289 PolarHBondContact O-N 3.32Å
288K85.7Confident90.9Very high135 Ų135114.9 Ų114.959%0.58756%0.562SS**  trans-72.5-22.1-177.3-74.9175.1176.3163.80113.5L283 E286 P290L283-K288 HydrophobicContact CD2-CB 4.32Å; L283-K288 HydrophobicContact CD2-CD 3.61Å; L283-K288 PolarHBondContact O-N 2.89Å; E286-K288 HydrophobicContact CB-CD 4.31Å; E286-K288 HydrophobicContact CB-CG 4.26Å; E286-K288 PolarHBondContact O-N 3.43Å; E286-K288 WeakPolarHBondContact OE2-CD 3.37Å; E286-K288 WeakPolarHBondContact OE2-CE 3.42Å; E286-K288 IonicContact OE2-NZ 2.68Å; E286-K288 PolarHBondContact OE2-NZ 3.31Å; K288-P290 WeakPolarHBondContact O-CD 3.38Å
289I85.1Confident91.1Very high67 Ų67114.4 Ų114.434%0.34456%0.56SS.*SBendtrans-97110.3176.6-63.8172.4000108.1L283 E284 G287 K291L283-I289 HydrophobicContact CB-CD1 3.85Å; L283-I289 HydrophobicContact CB-CG1 4.17Å; L283-I289 HydrophobicContact CD1-CD1 4.45Å; E284-I289 HydrophobicContact CG-CB 4.34Å; E284-I289 HydrophobicContact CG-CD1 4.06Å; G287-I289 VanDerWaalsContact C-N 3.3Å; G287-I289 PolarHBondContact O-N 3.32Å; I289-K291 PolarHBondContact O-N 3.17Å
290P86.8Confident91.3Very high105 Ų105115.3 Ų115.368%0.68256%0.564SS**  trans-64.4124.2176.5-20.233.1000110.4K288 E292K288-P290 WeakPolarHBondContact O-CD 3.38Å; P290-E292 VanDerWaalsContact C-N 3.3Å
291K84.6Confident91.5Very high202 Ų202117.6 Ų117.688%0.87857%0.572SS**SBendtrans-69.3-31.2177-62.9-175179.4-176.90112.2I289I289-K291 PolarHBondContact O-N 3.17Å
292E88.5Confident91.9Very high165 Ų165118.3 Ų118.377%0.77157%0.57SS**SBendtrans-118.6145.9-179.2-66.9-176179.900111.9P290P290-E292 VanDerWaalsContact C-N 3.3Å
293R94.1Very high92.1Very high243 Ų243117.9 Ų117.992%0.91756%0.564SS**  trans-80.5125.9174.1-176.2176.1176.2165.8-0.2109.7
294R93.7Very high92.5Very high162 Ų162120 Ų12061%0.61157%0.572SS**  trans-61.7139.5173.4-60.5177.465.7176.22.8111Y296R294-Y296 WeakPolarHBondContact CB-O 3.49Å; R294-Y296 PolarHBondContact O-N 3.01Å
295K96.1Very high92.9Very high196 Ų196116.7 Ų116.785%0.85256%0.562SS**SBendtrans-52.5-37.5175.7-177175.3-179.3177.60112.5
296Y95.5Very high93.4Very high77 Ų77118 Ų11830%0.30255%0.554SS.*  trans-143.5151.5170.853.1-96.3000109R294 E299 H302R294-Y296 WeakPolarHBondContact CB-O 3.49Å; R294-Y296 PolarHBondContact O-N 3.01Å; Y296-E299 WeakPolarHBondContact CE2-OE2 3.31Å; Y296-E299 VanDerWaalsContact CZ-OE2 3.29Å; Y296-E299 PolarHBondContact OH-OE2 2.84Å; Y296-H302 HydrophobicContact CD1-CB 4.14Å; Y296-H302 AromaticContact CD1-CG 3.71Å; Y296-H302 AromaticContact CD1-ND1 3.72Å; Y296-H302 HydrophobicContact CD2-CB 3.78Å; Y296-H302 HydrophobicContact CE1-CB 4.31Å; Y296-H302 AromaticContact CE1-CD2 3.59Å; Y296-H302 AromaticContact CE1-CG 3.72Å; Y296-H302 AromaticContact CE1-NE2 3.82Å; Y296-H302 HydrophobicContact CE2-CB 3.96Å; Y296-H302 HydrophobicContact CG-CB 3.86Å; Y296-H302 AromaticContact CG-CG 3.96Å; Y296-H302 AromaticContact CZ-CD2 3.73Å; Y296-H302 AromaticContact CZ-CG 3.96Å
297L96.3Very high93.7Very high118 Ų118120.9 Ų120.962%0.61857%0.567SS**SBendtrans-82.1-36.3-175.5-17558.4000112.6
298H98.2Very high94.2Very high85 Ų85123.1 Ų123.139%0.39456%0.558SS.*  trans-131.3129.5-171.6-51.2-68.3000111.8S300 R301 H302H298-S300 PolarHBondContact O-N 3.47Å; H298-R301 HydrophobicContact CB-CB 4.19Å; H298-R301 HydrophobicContact CB-CG 3.97Å; H298-R301 PolarHBondContact CD2-NE 2.84Å; H298-R301 PolarHBondContact O-N 3.5Å; H298-H302 PolarHBondContact O-N 3.38Å; H298-H302 VanDerWaalsContact O-N 3.12Å
299E97.5Very high94.5Very high86 Ų86123.6 Ų123.640%0.40256%0.56SS.*Hα-helixtrans-64.4-41.3-178.6-169.854.5-127.300112.4Y296 R301 H302 R303Y296-E299 WeakPolarHBondContact CE2-OE2 3.31Å; Y296-E299 VanDerWaalsContact CZ-OE2 3.29Å; Y296-E299 PolarHBondContact OH-OE2 2.84Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.39Å; E299-H302 PolarHBondContact O-N 3.27Å; E299-R303 PolarHBondContact O-N 3.3Å
300S98.3Very high95Very high72 Ų72125.7 Ų125.750%0.50356%0.563SS.*Hα-helixtrans-60.8-39.8177.255.60000112.8H298 H304H298-S300 PolarHBondContact O-N 3.47Å; S300-H304 WeakPolarHBondContact O-CB 3.18Å; S300-H304 PolarHBondContact O-N 3Å
301R98.1Very high95.2Very high173 Ų173121.9 Ų121.965%0.65354%0.543SS*.Hα-helixtrans-68.2-38.8176.7-65.8-170.3-173.9-970.2111.7H298 E299 H304 A305H298-R301 HydrophobicContact CB-CB 4.19Å; H298-R301 HydrophobicContact CB-CG 3.97Å; H298-R301 PolarHBondContact CD2-NE 2.84Å; H298-R301 PolarHBondContact O-N 3.5Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.39Å; R301-H304 PolarHBondContact O-N 3.01Å; R301-A305 WeakPolarHBondContact O-CB 3.48Å; R301-A305 PolarHBondContact O-N 3.01Å
302H98.4Very high95.4Very high49 Ų49120.1 Ų120.123%0.22754%0.543CS..Hα-helixtrans-63.1-49.4175.3-174.657.4000111.2Y296 H298 E299 H304 A305 M306Y296-H302 HydrophobicContact CD1-CB 4.14Å; Y296-H302 AromaticContact CD1-CG 3.71Å; Y296-H302 AromaticContact CD1-ND1 3.72Å; Y296-H302 HydrophobicContact CD2-CB 3.78Å; Y296-H302 HydrophobicContact CE1-CB 4.31Å; Y296-H302 AromaticContact CE1-CD2 3.59Å; Y296-H302 AromaticContact CE1-CG 3.72Å; Y296-H302 AromaticContact CE1-NE2 3.82Å; Y296-H302 HydrophobicContact CE2-CB 3.96Å; Y296-H302 HydrophobicContact CG-CB 3.86Å; Y296-H302 AromaticContact CG-CG 3.96Å; Y296-H302 AromaticContact CZ-CD2 3.73Å; Y296-H302 AromaticContact CZ-CG 3.96Å; H298-H302 PolarHBondContact O-N 3.38Å; H298-H302 VanDerWaalsContact O-N 3.12Å; E299-H302 PolarHBondContact O-N 3.27Å; H302-H304 VanDerWaalsContact C-N 3.34Å; H302-H304 PolarHBondContact O-N 3.2Å; H302-A305 PolarHBondContact O-N 2.86Å; H302-M306 WeakPolarHBondContact CE1-CE 3.47Å; H302-M306 WeakPolarHBondContact O-CG 3.36Å; H302-M306 PolarHBondContact O-N 3.31Å
303R98Very high95.6Very high130 Ų130115.6 Ų115.649%0.49154%0.541SS..Hα-helixtrans-56.4-45.5173.8-72.7-170.5-72120.3-5112.3E299 A305 M306 Q307E299-R303 PolarHBondContact O-N 3.3Å; R303-A305 PolarHBondContact O-N 2.95Å; R303-M306 PolarHBondContact O-N 3.19Å; R303-Q307 WeakPolarHBondContact O-CB 3.47Å; R303-Q307 VanDerWaalsContact O-CG 3.29Å; R303-Q307 WeakPolarHBondContact O-CG 3.21Å; R303-Q307 PolarHBondContact O-N 3.05Å
304H98Very high95.6Very high113 Ų113105.9 Ų105.952%0.52352%0.516SS..Hα-helixtrans-59.7-47.6176176.870.6000111.9S300 R301 H302 M306 Q307 R308S300-H304 WeakPolarHBondContact O-CB 3.18Å; S300-H304 PolarHBondContact O-N 3Å; R301-H304 PolarHBondContact O-N 3.01Å; H302-H304 VanDerWaalsContact C-N 3.34Å; H302-H304 PolarHBondContact O-N 3.2Å; H304-M306 VanDerWaalsContact C-N 3.26Å; H304-M306 PolarHBondContact O-N 3.42Å; H304-Q307 PolarHBondContact O-N 3.09Å; H304-R308 VanDerWaalsContact O-CG 3.3Å; H304-R308 WeakPolarHBondContact O-CG 3.27Å; H304-R308 PolarHBondContact O-N 3.21Å; H304-R308 VanDerWaalsContact O-N 3.09Å
305A97.2Very high95.6Very high32 Ų32106.9 Ų106.926%0.26452%0.52SS..Hα-helixtrans-63.4-30.1178.100000113.2R301 H302 R303 R310 F316R301-A305 WeakPolarHBondContact O-CB 3.48Å; R301-A305 PolarHBondContact O-N 3.01Å; H302-A305 PolarHBondContact O-N 2.86Å; R303-A305 PolarHBondContact O-N 2.95Å; A305-R310 PolarHBondContact O-NH2 2.76Å; A305-F316 HydrophobicContact CB-CZ 4.3Å; A305-F316 WeakPolarHBondContact O-CE1 3.39Å
306M96.3Very high95.5Very high122 Ų122100.8 Ų100.860%0.60149%0.494SS*.Hα-helixtrans-75.7-37.5175.3-73.4-62.4169.600112.9H302 R303 H304H302-M306 WeakPolarHBondContact CE1-CE 3.47Å; H302-M306 WeakPolarHBondContact O-CG 3.36Å; H302-M306 PolarHBondContact O-N 3.31Å; R303-M306 PolarHBondContact O-N 3.19Å; H304-M306 VanDerWaalsContact C-N 3.26Å; H304-M306 PolarHBondContact O-N 3.42Å
307Q96.1Very high95.2Very high149 Ų14999.9 Ų99.970%0.69649%0.491SS*.Hα-helixtrans-81.2-16.1-177.9-69.7170.7-2.500114R303 H304 K309R303-Q307 WeakPolarHBondContact O-CB 3.47Å; R303-Q307 VanDerWaalsContact O-CG 3.29Å; R303-Q307 WeakPolarHBondContact O-CG 3.21Å; R303-Q307 PolarHBondContact O-N 3.05Å; H304-Q307 PolarHBondContact O-N 3.09Å; Q307-K309 PolarHBondContact O-N 3.26Å
308R95.3Very high94.6Very high105 Ų10596.3 Ų96.340%0.39648%0.477SS..SBendtrans-63.1132.9178.7-82.4175.674.1174.44.9111.1H304 R310 F316H304-R308 VanDerWaalsContact O-CG 3.3Å; H304-R308 WeakPolarHBondContact O-CG 3.27Å; H304-R308 PolarHBondContact O-N 3.21Å; H304-R308 VanDerWaalsContact O-N 3.09Å; R308-R310 PolarHBondContact O-N 2.97Å; R308-F316 HydrophobicContact CB-CD1 3.58Å; R308-F316 HydrophobicContact CB-CE1 3.53Å; R308-F316 HydrophobicContact CG-CD1 4.38Å; R308-F316 HydrophobicContact CG-CE1 4.26Å; R308-F316 VanDerWaalsContact NH1-CD2 3.29Å; R308-F316 VanDerWaalsContact NH1-CE2 3.3Å; R308-F316 VanDerWaalsContact NH2-CB 3.27Å; R308-F316 VanDerWaalsContact NH2-CG 3.35Å
309K93.4Very high93.6Very high144 Ų14497.6 Ų97.663%0.62649%0.493SS*.  trans-55.6131.4171.5-171.4179-178.5-1760110Q307 F317Q307-K309 PolarHBondContact O-N 3.26Å; K309-F317 HydrophobicContact CB-CB 4.23Å; K309-F317 HydrophobicContact CD-CB 4.33Å; K309-F317 HydrophobicContact CD-CD1 4.36Å; K309-F317 HydrophobicContact CD-CD2 4.41Å; K309-F317 HydrophobicContact CD-CG 4.13Å; K309-F317 HydrophobicContact CG-CB 4.13Å; K309-F317 HydrophobicContact CG-CG 4.44Å; K309-F317 PolarHBondContact O-N 3.12Å
310R94.4Very high92.5Very high112 Ų112101.6 Ų101.642%0.42351%0.509SS..BIsolated β-bridgetrans-108.4142.2175.5-64.3178.7-177.1-83.3-3.5109.3A305 R308 G314 R315 F316A305-R310 PolarHBondContact O-NH2 2.76Å; R308-R310 PolarHBondContact O-N 2.97Å; R310-G314 PolarHBondContact NH1-O 3.18Å; R310-R315 CarbonylContact C-O 3.49Å; R310-R315 WeakPolarHBondContact CA-O 3.45Å; R310-R315 WeakPolarHBondContact CB-O 3.45Å; R310-F316 HydrophobicContact CG-CD1 4.3Å; R310-F316 VanDerWaalsContact CZ-CE1 3.49Å; R310-F316 VanDerWaalsContact NH2-CE1 3.3Å
311G90.6Very high90.9Very high25 Ų25101.7 Ų101.726%0.25850%0.501SS..  trans-83.2-172.2166.100000110.4G314 R315G311-G314 PolarHBondContact O-N 3.15Å; G311-R315 PolarHBondContact N-O 3.08Å
312D89.1Confident89.4Confident165 Ų165100.2 Ų100.288%0.88250%0.499SS*.G310 helixtrans-62146.5173.7-168.226.1000111.1G314D312-G314 VanDerWaalsContact C-N 3.29Å; D312-G314 PolarHBondContact O-N 3.3Å
313G93.4Very high87.7Confident70 Ų70104.7 Ų104.772%0.72252%0.52SS*.G310 helixtrans70.415.5-175.500000115.7R315G313-R315 VanDerWaalsContact C-N 3.27Å; G313-R315 PolarHBondContact O-N 2.71Å
314G93.4Very high86Confident39 Ų39105.3 Ų105.340%0.40253%0.529SS..G310 helixtrans78.23.3169.600000115.6R310 G311 D312R310-G314 PolarHBondContact NH1-O 3.18Å; G311-G314 PolarHBondContact O-N 3.15Å; D312-G314 VanDerWaalsContact C-N 3.29Å; D312-G314 PolarHBondContact O-N 3.3Å
315R93.4Very high84.4Confident183 Ų183102.2 Ų102.269%0.69152%0.522SS*.PPolyproline II helixtrans-68149.1173-67.4175.3178.1-94.2-2.6110.3R310 G311 G313 F317R310-R315 CarbonylContact C-O 3.49Å; R310-R315 WeakPolarHBondContact CA-O 3.45Å; R310-R315 WeakPolarHBondContact CB-O 3.45Å; G311-R315 PolarHBondContact N-O 3.08Å; G313-R315 VanDerWaalsContact C-N 3.27Å; G313-R315 PolarHBondContact O-N 2.71Å; R315-F317 PolarHBondContact O-N 3.4Å
316F94.3Very high82.7Confident67 Ų67103.6 Ų103.629%0.29453%0.534SS..BIsolated β-bridgetrans-67.7137.1170.5-66.8-54.9000109.6A305 R308 R310 S318A305-F316 HydrophobicContact CB-CZ 4.3Å; A305-F316 WeakPolarHBondContact O-CE1 3.39Å; R308-F316 HydrophobicContact CB-CD1 3.58Å; R308-F316 HydrophobicContact CB-CE1 3.53Å; R308-F316 HydrophobicContact CG-CD1 4.38Å; R308-F316 HydrophobicContact CG-CE1 4.26Å; R308-F316 VanDerWaalsContact NH1-CD2 3.29Å; R308-F316 VanDerWaalsContact NH1-CE2 3.3Å; R308-F316 VanDerWaalsContact NH2-CB 3.27Å; R308-F316 VanDerWaalsContact NH2-CG 3.35Å; R310-F316 HydrophobicContact CG-CD1 4.3Å; R310-F316 VanDerWaalsContact CZ-CE1 3.49Å; R310-F316 VanDerWaalsContact NH2-CE1 3.3Å; F316-S318 PolarHBondContact O-N 3.19Å; F316-S318 VanDerWaalsContact O-N 3.16Å
317F90.1Very high81.1Confident58 Ų58102.3 Ų102.325%0.25453%0.529SS..PPolyproline II helixtrans-58.9118.7-179.4-172.6-101.5000110.7K309 R315 K322K309-F317 HydrophobicContact CB-CB 4.23Å; K309-F317 HydrophobicContact CD-CB 4.33Å; K309-F317 HydrophobicContact CD-CD1 4.36Å; K309-F317 HydrophobicContact CD-CD2 4.41Å; K309-F317 HydrophobicContact CD-CG 4.13Å; K309-F317 HydrophobicContact CG-CB 4.13Å; K309-F317 HydrophobicContact CG-CG 4.44Å; K309-F317 PolarHBondContact O-N 3.12Å; R315-F317 PolarHBondContact O-N 3.4Å; F317-K322 HydrophobicContact CE1-CB 3.59Å; F317-K322 HydrophobicContact CE1-CD 4.33Å; F317-K322 HydrophobicContact CE1-CG 3.97Å; F317-K322 VanDerWaalsContact CZ-CA 3.44Å; F317-K322 HydrophobicContact CZ-CB 3.43Å; F317-K322 VanDerWaalsContact CZ-CB 3.43Å; F317-K322 HydrophobicContact CZ-CG 3.76Å
318S83.8Confident79.3Confident44 Ų4497.2 Ų97.231%0.30852%0.516SS..PPolyproline II helixtrans-84137.9173.6-172.10000109.6F316 K320 E321 K322F316-S318 PolarHBondContact O-N 3.19Å; F316-S318 VanDerWaalsContact O-N 3.16Å; S318-K320 PolarHBondContact O-N 2.87Å; S318-K320 VanDerWaalsContact O-N 3.11Å; S318-E321 WeakPolarHBondContact CB-OE2 3.39Å; S318-E321 PolarHBondContact N-OE2 3.32Å; S318-E321 WeakPolarHBondContact O-CB 3.47Å; S318-E321 PolarHBondContact O-N 3.45Å; S318-K322 PolarHBondContact O-N 3.27Å
319P77.4Confident77.6Confident112 Ų11298.4 Ų98.473%0.72753%0.53SS*.Hα-helixtrans-55.4-28.3174-26.334.7000113.5K322P319-K322 VanDerWaalsContact O-CB 3.26Å; P319-K322 WeakPolarHBondContact O-CB 3.45Å; P319-K322 PolarHBondContact O-N 3.41Å
320K72.5Confident75.9Confident170 Ų17094.9 Ų94.974%0.73952%0.523SS*.Hα-helixtrans-71.4-35.3176.3-63.5-173.4176.1-174.30112.9S318 K322 E323 E324S318-K320 PolarHBondContact O-N 2.87Å; S318-K320 VanDerWaalsContact O-N 3.11Å; K320-K322 PolarHBondContact O-N 3.34Å; K320-E323 PolarHBondContact O-N 3.23Å; K320-E324 PolarHBondContact O-N 2.93Å
321E66.1Low74Confident73 Ų7397 Ų9734%0.34154%0.538SS..Hα-helixtrans-70.7-18.6175.7-66.6164.4168.800111.8S318 E323 A325S318-E321 WeakPolarHBondContact CB-OE2 3.39Å; S318-E321 PolarHBondContact N-OE2 3.32Å; S318-E321 WeakPolarHBondContact O-CB 3.47Å; S318-E321 PolarHBondContact O-N 3.45Å; E321-E323 VanDerWaalsContact C-N 3.29Å; E321-E323 PolarHBondContact O-N 2.96Å; E321-A325 WeakPolarHBondContact O-CB 3.07Å; E321-A325 PolarHBondContact O-N 2.79Å
322K65.8Low72.2Confident143 Ų143103.8 Ų103.862%0.62256%0.563SS**Hα-helixtrans-62.2-39.4172.1-167.7-178.2172.8-169.50111.8F317 S318 P319 K320 A326F317-K322 HydrophobicContact CE1-CB 3.59Å; F317-K322 HydrophobicContact CE1-CD 4.33Å; F317-K322 HydrophobicContact CE1-CG 3.97Å; F317-K322 VanDerWaalsContact CZ-CA 3.44Å; F317-K322 HydrophobicContact CZ-CB 3.43Å; F317-K322 VanDerWaalsContact CZ-CB 3.43Å; F317-K322 HydrophobicContact CZ-CG 3.76Å; S318-K322 PolarHBondContact O-N 3.27Å; P319-K322 VanDerWaalsContact O-CB 3.26Å; P319-K322 WeakPolarHBondContact O-CB 3.45Å; P319-K322 PolarHBondContact O-N 3.41Å; K320-K322 PolarHBondContact O-N 3.34Å; K322-A326 WeakPolarHBondContact O-CB 3.42Å; K322-A326 PolarHBondContact O-N 3.48Å
323E62.4Low70.2Confident142 Ų142104.8 Ų104.866%0.66456%0.562SS**Hα-helixtrans-72.2-47.6-179.7-169.3169.9-171.900110.2K320 E321 A326 L327K320-E323 PolarHBondContact O-N 3.23Å; E321-E323 VanDerWaalsContact C-N 3.29Å; E321-E323 PolarHBondContact O-N 2.96Å; E323-A326 PolarHBondContact O-N 3.13Å; E323-L327 HydrophobicContact CG-CD1 4.08Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CD1 3.04Å; E323-L327 VanDerWaalsContact O-CG 3.24Å; E323-L327 WeakPolarHBondContact O-CG 3.26Å; E323-L327 PolarHBondContact O-N 3.06Å
324E62.7Low68.1Low144 Ų144108.1 Ų108.167%0.67356%0.562SS**Hα-helixtrans-65-39.9175.9-74.7-177.5154.300113.5K320 L327 G328K320-E324 PolarHBondContact O-N 2.93Å; E324-L327 PolarHBondContact O-N 3.05Å; E324-G328 PolarHBondContact O-N 3.35Å
325A64Low65.8Low47 Ų47110.1 Ų110.139%0.38858%0.575SS.*Hα-helixtrans-69.9-36.117600000112.2E321 L327 G328 L329E321-A325 WeakPolarHBondContact O-CB 3.07Å; E321-A325 PolarHBondContact O-N 2.79Å; A325-L327 VanDerWaalsContact C-N 3.32Å; A325-G328 PolarHBondContact O-N 3.12Å; A325-L329 WeakPolarHBondContact O-CD1 3.39Å; A325-L329 PolarHBondContact O-N 3.49Å
326A63.1Low63.5Low61 Ų61106.9 Ų106.950%0.50458%0.577SS.*Hα-helixtrans-67.3-34.1172.800000111.9K322 E323 S330K322-A326 WeakPolarHBondContact O-CB 3.42Å; K322-A326 PolarHBondContact O-N 3.48Å; E323-A326 PolarHBondContact O-N 3.13Å; A326-S330 PolarHBondContact O-N 3.39Å; A326-S330 PolarHBondContact O-OG 2.97Å
327L61.1Low61.3Low96 Ų96108.6 Ų108.650%0.50360%0.604SS.*Hα-helixtrans-71.9-36.8173.1-73.9162.4000112.3E323 E324 A325 S330 Q331E323-L327 HydrophobicContact CG-CD1 4.08Å; E323-L327 WeakPolarHBondContact O-CB 3.48Å; E323-L327 WeakPolarHBondContact O-CD1 3.04Å; E323-L327 VanDerWaalsContact O-CG 3.24Å; E323-L327 WeakPolarHBondContact O-CG 3.26Å; E323-L327 PolarHBondContact O-N 3.06Å; E324-L327 PolarHBondContact O-N 3.05Å; A325-L327 VanDerWaalsContact C-N 3.32Å; L327-S330 WeakPolarHBondContact CA-OG 3.49Å; L327-S330 PolarHBondContact O-N 3.13Å; L327-S330 PolarHBondContact O-OG 2.64Å; L327-Q331 PolarHBondContact O-N 3.06Å
328G59.9Low59.2Low41 Ų41110 Ų11042%0.42363%0.626SS.*Hα-helixtrans-68.2-38.3176.100000113.8E324 A325E324-G328 PolarHBondContact O-N 3.35Å; A325-G328 PolarHBondContact O-N 3.12Å
329L59.5Low57.8Low131 Ų131114.3 Ų114.369%0.68665%0.651SS**Hα-helixtrans-72.6-30.9175-90.3106000113.3A325 Q331A325-L329 WeakPolarHBondContact O-CD1 3.39Å; A325-L329 PolarHBondContact O-N 3.49Å; L329-Q331 VanDerWaalsContact C-N 3.33Å
330S55.9Low56.4Low69 Ų69115.5 Ų115.548%0.48365%0.651SS.*Hα-helixtrans-76.9-18.7177.148.70000113.6A326 L327A326-S330 PolarHBondContact O-N 3.39Å; A326-S330 PolarHBondContact O-OG 2.97Å; L327-S330 WeakPolarHBondContact CA-OG 3.49Å; L327-S330 PolarHBondContact O-N 3.13Å; L327-S330 PolarHBondContact O-OG 2.64Å
331Q55.7Low55.6Low158 Ų158116.2 Ų116.274%0.73866%0.657SS**SBendtrans-84.5-13.3176.3-139.8162.89500113.2L327 L329L327-Q331 PolarHBondContact O-N 3.06Å; L329-Q331 VanDerWaalsContact C-N 3.33Å
332Q52.1Low55.1Low166 Ų166119.5 Ų119.578%0.77668%0.682SS**SBendtrans-93.2-9.6-179.4-150.2161.321.100113.9I334Q332-I334 VanDerWaalsContact C-N 3.35Å
333E47.3Very low54.5Low186 Ų186118.2 Ų118.287%0.86969%0.687SS**SBendtrans-87.94.4169.9-79.5-139.7133.300114.2
334I49.8Very low54Low140 Ų140118.1 Ų118.172%0.71870%0.696SS**  trans-114.759.6171.2-45.4176.9000109.1Q332Q332-I334 VanDerWaalsContact C-N 3.35Å
335A45.1Very low53.6Low82 Ų82120.3 Ų120.368%0.67871%0.706SS**  trans-78.5122.3153.300000107A337A335-A337 PolarHBondContact O-N 3.33Å; A335-A337 VanDerWaalsContact O-N 3.11Å
336P45.3Very low53.2Low114 Ų114126.6 Ų126.674%0.7473%0.729SS**  trans-67.4116.7173.527.9-30.7000107.9A338P336-A338 PolarHBondContact O-N 3.17Å
337A47.1Very low52.8Low103 Ų103131.5 Ų131.585%0.85175%0.746SS**  trans-62.782.115900000108.1A335 T339A335-A337 PolarHBondContact O-N 3.33Å; A335-A337 VanDerWaalsContact O-N 3.11Å; A337-T339 PolarHBondContact O-N 3.43Å
338A47Very low52.3Low87 Ų87138.6 Ų138.672%0.71977%0.766SS**  trans-86.7105.3170.900000108.1P336 D340P336-A338 PolarHBondContact O-N 3.17Å; A338-D340 PolarHBondContact O-N 2.81Å
339T54.3Low51.9Low136 Ų136143.4 Ų143.483%0.83479%0.786SS**  trans-46.2120.6166.149.60000112.4A337A337-T339 PolarHBondContact O-N 3.43Å
340D48.2Very low51.3Low137 Ų137146.2 Ų146.273%0.73382%0.817SS**  trans-146.467.6154.9-159.317.1000111A338A338-D340 PolarHBondContact O-N 2.81Å
341E55.3Low51.1Low185 Ų185150.1 Ų150.186%0.86483%0.834SS**  trans-112.1103.1156.5-78.4-103.7131.200105
342T55.1Low50.9Low141 Ų141149.6 Ų149.687%0.86584%0.839SS**SBendtrans176.5-5.8149.632.90000116.2
343V53.7Low50.8Low117 Ų117148.7 Ų148.771%0.70984%0.842SS**SBendtrans-98.5-8.5-172.8-169.80000115.3
344T52.1Low51Low140 Ų140146.5 Ų146.586%0.85984%0.841SS**SBendtrans-104.221.8-169.8-30.10000116.1
345Q54.8Low51.1Low190 Ų190146.9 Ų146.989%0.88885%0.848SS**SBendtrans-133.814.4176.4-76.3-170.713.700116.6
346M55.2Low51.5Low178 Ų178151.3 Ų151.388%0.87786%0.86SS**SBendtrans-111.681161.5-87-175.2-175.300109.3
347I53.6Low51.9Low165 Ų165153.9 Ų153.985%0.84687%0.868SS**  trans-17898.9148.6-85.1140.9000106.3
348R52.1Low52.3Low245 Ų245157.8 Ų157.893%0.92587%0.869SS**  trans-175.484.1139.4-99.4177.7-164.4176.85.9107.5
349V51Low52.7Low141 Ų141163.8 Ų163.886%0.85588%0.882SS**  trans-92.4146.9153.8172.50000106.3
350S47.5Very low52.6Low190 Ų190166.3 Ų166.3100%1.32989%0.886SS**  trans91.80178.6-56.10000115.5

Retrieved 350 of 350 residues in 203.5 ms (Link to these results)