A0A3Q0KS63_SCHMA Loading...

Putative collagen alpha-1(V) chain

AlphaFold DB , UniProt , Accession A0A3Q0KS63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,540 aa.

>A0A3Q0KS63_SCHMA|A0A3Q0KS63
MDNGRVLSPGEEVRLANFPCAICRCDPNTREVVCETETCPTLQCGEDEGQLLEPGQCCPECVAKNRVEPVLPQATPRTYTDEPRSTKTSRPTAEPAYTLPPPPPPLPDGSPGLRGPIGPPGPPGPPGDPGLDGENGLPGMPGPPGPPPQDVDDYMQRSRAMIKGPVGENVTMYQDIRVTMGPPGEPGAPGFPGVIGTPGPIGQSGPMGDPGPPGNPGSRGHSGPVGNDGKAGPIGRPGLKGARGPRGMPGVMGEAGLPGAMGLRGERGERGEEGIKGMAGDYGPKGLPGPVGPKGSIGLQGQRGEPGPRGFMGLPGPIGVDGTDGVPGAPGDPGAPGSQGSPGLQGPEGPKGQPGLPGPKGEVGFPGLRGDRGAPGPSGNPGKQGTHGPPGTIGNKGEPGDRGHPGKPGMMGIRGFSGGEGEIGLVGAKGPEGSVGLQGAQGLPGPEGIKGRRGERGPLGPVGEQGSRGIRGSAGLSGAPGHEGSRGLPGLRGPPGPEGPPGAIGPGGAPGITGPVGEKGAQGDIGPSGLKGPTGPRGSVGNSGQPGPTGEPGPKGPLGSIGRPGMPGAAGIPGPHGPQGGQGLRGLPGSVGKTGDPGAVGSKGPRGDRGPRGEPGAPGPFGPSGEKGQRGQSGKRGPMGAEGRVGPEGSPGTPGKPGDPGPAGEPGHIGPPGPPGERGAPGQMGPPGPPGRAGDKGASGPVGRDGAKGDRGEKGDMGDSGTVGVPGLVGNTGIRGERGEKGDRGPTGPRGEPGPIGVPGQRGADGPMGHPGPQGRPGNKGILGIRGYQGDKGTPGDQGPQGIPGDPGIPGQPGPPGSVGMKGVKGEMGPRGPRGEAGNMGIKGVQGPPGPKGHPGLSGQQGDRGQPGVQGDQGSEGLIGEPGPQGPPGENGRPGPPGPAGQTGPKGEAGDPGLEGPAGSDGMAGLPGPAGDKGERGDPGLPGTVGPIGPDGDQGPSGAPGKIGPTGPPGNVGKPGEMGPPGNAGLPGRTGLPGPPGKDGQVGKQGPRGEEGPRGPDGNPGIQGPPGASGVKGPPGSRGPVGPTGMRGPPGLIGQPGPPGKQGSQGRPGKPGPDGFEGKRGPPGEIGAPGVPGNKGPVGDEGEPGSRGASGNMGLTGPPGDGGPPGLPGIPGSRGTQGPPGEVGLKGEAGLPGVPGPIGQPGPMGPPGIQGPLGEPGPPGNDGPPGAIGLPGPPGEFKTDYTSLFSRRRDTDVGMMQADEPRNRGRRIRRSYEWSDEDYDPSKETDPNDEEEDIFEALRQVGRLVNSLNSGSGTQFNPARTCHDLKRDHPEKKDGIYYVDPNGGHWRDGISVYCRLSGLETCVSPVTEQMSSIYLSQTKQKRLWYSEFLMKSENTQIEYNIPKDQLVFLQMSSEVAIQRLKVNCRNIQNILEIISLLSDNNMLIEFNETIQLFSIEIEENSCGHKQSGSLLLTVRTKQPSLLPIRDIRITTNGLYDSELSLEVGTICYGGMDPEQFNITDIDNNNNNHSNNINKEDSSNHNIYDPVEHKSNIEVKKFNFNVMNNNNNNNNNNIRLVSEPF
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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
1M39.5Very low44Very low160 Ų160117 Ų11779%0.78870%0.695SS**  047.80-78.2176.4152.800110.3N3 L7 V13M1-N3 PolarHBondContact O-N 2.83Å; M1-L7 HydrophobicContact CE-CD1 4.14Å; M1-V13 HydrophobicContact CE-CB 4.3Å; M1-V13 HydrophobicContact CE-CG1 3.85Å; M1-V13 HydrophobicContact CE-CG2 3.4Å
2D41Very low43.6Very low156 Ų156120.8 Ų120.883%0.83470%0.7SS**THydrogen-bonded Turntrans-97.81.5-137.1-43.2-67.3000113.9
3N43.3Very low43.2Very low156 Ų156117.5 Ų117.583%0.83468%0.682SS**THydrogen-bonded Turntrans-109.818.9-175.6-66.1-9.6000113.4M1 R5M1-N3 PolarHBondContact O-N 2.83Å; N3-R5 PolarHBondContact O-N 2.72Å
4G37.6Very low42.7Very low77 Ų77124.4 Ų124.479%0.79469%0.692SS**  trans62.318.6174.100000115.8
5R52.1Low42.1Very low179 Ų179126.7 Ų126.768%0.67570%0.701SS**  trans-88.5114-175.5176170.6163169.4-9.9110.6N3 L7 E11N3-R5 PolarHBondContact O-N 2.72Å; R5-L7 PolarHBondContact O-N 3.19Å; R5-E11 IonicContact CZ-OE1 3.17Å; R5-E11 IonicContact NE-OE1 3.27Å; R5-E11 IonicContact NH2-OE1 2.79Å; R5-E11 PolarHBondContact NH2-OE1 2.75Å
6V47.1Very low41.5Very low136 Ų136124.6 Ų124.682%0.82471%0.705SS**PPolyproline II helixtrans-62.2131.4167.4-177.70000108.7
7L53.1Low40.8Very low73 Ų73123.6 Ų123.638%0.38270%0.697SS.*PPolyproline II helixtrans-82.5145.1-178.5-67.1172.3000111.3M1 R5 E11 V13M1-L7 HydrophobicContact CE-CD1 4.14Å; R5-L7 PolarHBondContact O-N 3.19Å; L7-E11 HydrophobicContact CB-CB 4.24Å; L7-E11 HydrophobicContact CD2-CB 4.22Å; L7-E11 HydrophobicContact CD2-CG 3.82Å; L7-V13 HydrophobicContact CD1-CG2 3.42Å; L7-V13 VanDerWaalsContact CD1-CG2 3.42Å
8S49.9Very low40.3Very low71 Ų71126.3 Ų126.350%0.49770%0.7SS.*PPolyproline II helixtrans-77.9150.5176.3-40.50000110.1G10 E11S8-G10 PolarHBondContact O-N 2.74Å; S8-G10 VanDerWaalsContact O-N 3.1Å; S8-E11 VanDerWaalsContact CB-OE2 3.32Å; S8-E11 WeakPolarHBondContact CB-OE2 3.08Å; S8-E11 PolarHBondContact N-OE2 2.7Å; S8-E11 VanDerWaalsContact O-CB 3.24Å; S8-E11 WeakPolarHBondContact O-CB 2.9Å; S8-E11 PolarHBondContact O-N 2.79Å; S8-E11 PolarHBondContact OG-OE2 2.58Å
9P34.4Very low39.9Very low136 Ų136125.5 Ų125.588%0.88370%0.701SS**THydrogen-bonded Turntrans-54.7119.3167.4-25.235.3000110.5
10G39.5Very low39.4Very low82 Ų82125 Ų12585%0.84571%0.705SS**THydrogen-bonded Turntrans98.50.2-172.900000116S8 E12S8-G10 PolarHBondContact O-N 2.74Å; S8-G10 VanDerWaalsContact O-N 3.1Å; G10-E12 PolarHBondContact O-N 3.36Å
11E46Very low39.5Very low61 Ų61121.7 Ų121.729%0.28569%0.694SS.*  trans-94.888.2178.2-154.2172.3179.800109.8R5 L7 S8R5-E11 IonicContact CZ-OE1 3.17Å; R5-E11 IonicContact NE-OE1 3.27Å; R5-E11 IonicContact NH2-OE1 2.79Å; R5-E11 PolarHBondContact NH2-OE1 2.75Å; L7-E11 HydrophobicContact CB-CB 4.24Å; L7-E11 HydrophobicContact CD2-CB 4.22Å; L7-E11 HydrophobicContact CD2-CG 3.82Å; S8-E11 VanDerWaalsContact CB-OE2 3.32Å; S8-E11 WeakPolarHBondContact CB-OE2 3.08Å; S8-E11 PolarHBondContact N-OE2 2.7Å; S8-E11 VanDerWaalsContact O-CB 3.24Å; S8-E11 WeakPolarHBondContact O-CB 2.9Å; S8-E11 PolarHBondContact O-N 2.79Å; S8-E11 PolarHBondContact OG-OE2 2.58Å
12E39.5Very low39.9Very low163 Ų163119.7 Ų119.776%0.76269%0.685SS**  trans-60.8135.5-173.8-77.6-168.214700114.6G10 R14G10-E12 PolarHBondContact O-N 3.36Å; E12-R14 PolarHBondContact O-N 3.37Å
13V38.7Very low40.5Very low77 Ų77115.2 Ų115.247%0.46767%0.665SS.*  trans-82.694.4166.5-174.50000109.4M1 L7 L15M1-V13 HydrophobicContact CE-CB 4.3Å; M1-V13 HydrophobicContact CE-CG1 3.85Å; M1-V13 HydrophobicContact CE-CG2 3.4Å; L7-V13 HydrophobicContact CD1-CG2 3.42Å; L7-V13 VanDerWaalsContact CD1-CG2 3.42Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 HydrophobicContact CG1-CG 4.31Å; V13-L15 PolarHBondContact O-N 2.74Å
14R36.4Very low41.2Very low215 Ų215114.9 Ų114.981%0.81165%0.652SS**  trans-70.991.1164.1-72-170.8176.6-169.4-2110E12 A16E12-R14 PolarHBondContact O-N 3.37Å; R14-A16 PolarHBondContact O-N 2.89Å
15L33Very low42.4Very low159 Ų159113.1 Ų113.183%0.83263%0.627SS**  trans-59116.2164.1-85.5163.5000108.6V13 N17V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 HydrophobicContact CG1-CG 4.31Å; V13-L15 PolarHBondContact O-N 2.74Å; L15-N17 PolarHBondContact O-N 3.42Å
16A32.7Very low43.2Very low92 Ų92107.2 Ų107.276%0.7661%0.609SS**  trans-86.673.2-164.400000113.2R14R14-A16 PolarHBondContact O-N 2.89Å
17N29.6Very low43.8Very low108 Ų108105.5 Ų105.558%0.57860%0.601SS**  trans-72.8146.2143.7-77.87000108L15 E1328L15-N17 PolarHBondContact O-N 3.42Å; N17-E1328 PolarHBondContact ND2-OE2 2.91Å
18F31.4Very low44.5Very low172 Ų172108.8 Ų108.875%0.75462%0.619SS**  trans69.488-172.6-52.6-75.1000116.8C20F18-C20 PolarHBondContact O-N 2.85Å
19P33.7Very low45.5Very low111 Ų111108.8 Ų108.872%0.72162%0.616SS**  trans-74.573.2163.133.4-34.9000111.2
20C28.9Very low46.9Very low115 Ų115111.5 Ų111.578%0.77761%0.609SS**  trans-126.648.6170.3-70.90000111.3F18F18-C20 PolarHBondContact O-N 2.85Å
21A41.3Very low47.9Very low56 Ų56113.4 Ų113.446%0.46360%0.596SS.*  trans-64.6145.1165.500000110.1C23A21-C23 PolarHBondContact O-N 3.4Å
22I49.2Very low48.7Very low119 Ų119111.9 Ų111.961%0.6159%0.59SS**  trans-63.9105.1-164.4-59168.7000111
23C52.5Low49.8Very low61 Ų61108.2 Ų108.241%0.41258%0.579SS.*EExtended strand (participates in β ladder)trans-98.2118.4167.4-73.40000109.4A21 V32 C34A21-C23 PolarHBondContact O-N 3.4Å; C23-V32 HydrophobicContact CB-CG1 3.76Å; C23-C34 HydrophobicContact CB-CB 4.15Å; C23-C34 WeakPolarHBondContact CB-SG 3.39Å; C23-C34 WeakPolarHBondContact SG-CB 3.3Å; C23-C34 CovalentContact SG-SG 2.04Å; C23-C34 PolarHBondContact SG-SG 2.74Å
24R59Low50.6Low149 Ų149105.9 Ų105.956%0.56257%0.565SS**EExtended strand (participates in β ladder)trans-117.1121.9-177.4-175.8177.5-176.1157.16.5110.7D26 V33R24-D26 PolarHBondContact O-N 3.25Å; R24-V33 PolarHBondContact N-O 3.47Å; R24-V33 PolarHBondContact O-N 3.37Å
25C63.4Low51.4Low40 Ų40103.6 Ų103.627%0.2756%0.564SS.*EExtended strand (participates in β ladder)trans-65.4124166.4-70.60000110.5P27 E31 C57C25-P27 WeakPolarHBondContact O-CD 3.3Å; C25-E31 WeakPolarHBondContact CA-O 3.23Å; C25-C57 HydrophobicContact CB-CB 4.08Å; C25-C57 WeakPolarHBondContact CB-SG 3.47Å; C25-C57 WeakPolarHBondContact SG-CB 3.4Å; C25-C57 CovalentContact SG-SG 2.03Å; C25-C57 PolarHBondContact SG-SG 3.11Å
26D68.1Low52.1Low55 Ų5599.8 Ų99.829%0.29455%0.548SS..  trans-74.6119.6167.5-170.9-43.5000108.6R24 N28 T29 R30 E31R24-D26 PolarHBondContact O-N 3.25Å; D26-N28 PolarHBondContact O-N 3.09Å; D26-N28 VanDerWaalsContact O-N 3.13Å; D26-N28 WeakPolarHBondContact OD1-CA 3.43Å; D26-N28 VanDerWaalsContact OD1-CB 3.27Å; D26-N28 WeakPolarHBondContact OD1-CB 3.47Å; D26-N28 PolarHBondContact OD1-N 3.3Å; D26-N28 PolarHBondContact OD1-ND2 2.64Å; D26-T29 PolarHBondContact O-N 3.23Å; D26-R30 WeakPolarHBondContact O-CA 3.45Å; D26-R30 PolarHBondContact O-N 3.31Å; D26-E31 PolarHBondContact N-O 3.42Å
27P59Low52.8Low101 Ų101105.1 Ų105.166%0.65656%0.557SS**THydrogen-bonded Turntrans-66.4-13.4-177.828.6-36000113.7C25C25-P27 WeakPolarHBondContact O-CD 3.3Å
28N67.5Low53.7Low142 Ų142105.6 Ų105.676%0.75956%0.564SS**THydrogen-bonded Turntrans-91.6-39.2179.8-49.3-81000112.5D26D26-N28 PolarHBondContact O-N 3.09Å; D26-N28 VanDerWaalsContact O-N 3.13Å; D26-N28 WeakPolarHBondContact OD1-CA 3.43Å; D26-N28 VanDerWaalsContact OD1-CB 3.27Å; D26-N28 WeakPolarHBondContact OD1-CB 3.47Å; D26-N28 PolarHBondContact OD1-N 3.3Å; D26-N28 PolarHBondContact OD1-ND2 2.64Å
29T71.2Confident54.3Low71 Ų71101 Ų10144%0.43655%0.552SS.*THydrogen-bonded Turntrans-99.1-21.6-178.674.30000113.8D26 E31D26-T29 PolarHBondContact O-N 3.23Å; T29-E31 VanDerWaalsContact CB-OE2 3.25Å; T29-E31 WeakPolarHBondContact CB-OE2 3.46Å; T29-E31 PolarHBondContact O-N 3.42Å; T29-E31 WeakPolarHBondContact OG1-CB 3.34Å; T29-E31 PolarHBondContact OG1-N 2.81Å; T29-E31 PolarHBondContact OG1-OE2 2.83Å
30R64Low54.9Low193 Ų193100 Ų10073%0.72855%0.546SS*.  trans64.614.4-169.3-53.5179.5170.9-169.8-4.2114.9D26 C57D26-R30 WeakPolarHBondContact O-CA 3.45Å; D26-R30 PolarHBondContact O-N 3.31Å; R30-C57 PolarHBondContact O-SG 3.37Å; R30-C57 VanDerWaalsContact O-SG 3.35Å
31E61.3Low55.8Low122 Ų12299 Ų9957%0.5754%0.536SS*.BIsolated β-bridgetrans-88.6149.4175-61.7164.7137.100110.5C25 D26 T29C25-E31 WeakPolarHBondContact CA-O 3.23Å; D26-E31 PolarHBondContact N-O 3.42Å; T29-E31 VanDerWaalsContact CB-OE2 3.25Å; T29-E31 WeakPolarHBondContact CB-OE2 3.46Å; T29-E31 PolarHBondContact O-N 3.42Å; T29-E31 WeakPolarHBondContact OG1-CB 3.34Å; T29-E31 PolarHBondContact OG1-N 2.81Å; T29-E31 PolarHBondContact OG1-OE2 2.83Å
32V62.3Low55.9Low29 Ų29100.7 Ų100.718%0.17654%0.537CS..EExtended strand (participates in β ladder)trans-86.4113.4175.9-175.20000109.6C23 L42 C57C23-V32 HydrophobicContact CB-CG1 3.76Å; V32-L42 HydrophobicContact CG2-CD1 4.45Å; V32-C57 VanDerWaalsContact CG2-SG 3.57Å
33V63.8Low55.7Low86 Ų86103.5 Ų103.552%0.52155%0.547SS..EExtended strand (participates in β ladder)trans-98.5112.7175.9-175.80000109.3R24R24-V33 PolarHBondContact N-O 3.47Å; R24-V33 PolarHBondContact O-N 3.37Å
34C55.1Low55.4Low27 Ų27103.6 Ų103.618%0.18255%0.548CS..EExtended strand (participates in β ladder)trans-113.6149.5175.9-49.40000110.6C23 T36 C39C23-C34 HydrophobicContact CB-CB 4.15Å; C23-C34 WeakPolarHBondContact CB-SG 3.39Å; C23-C34 WeakPolarHBondContact SG-CB 3.3Å; C23-C34 CovalentContact SG-SG 2.04Å; C23-C34 PolarHBondContact SG-SG 2.74Å; C34-T36 PolarHBondContact O-N 3.28Å; C34-C39 PolarHBondContact SG-SG 3.07Å
35E52Low54.5Low168 Ų16899.8 Ų99.879%0.78556%0.555SS**SBendtrans-80.82.4-179.5-61.6-171.8143.200114.1
36T49.3Very low53.3Low79 Ų79104.4 Ų104.449%0.48557%0.573SS.*SBendtrans-141.2145.3177.351.50000111.5C34 T38C34-T36 PolarHBondContact O-N 3.28Å; T36-T38 PolarHBondContact O-N 2.98Å
37E45.6Very low51.9Low203 Ų203109.5 Ų109.595%0.94960%0.6SS**SBendtrans-70.89.1-165-57.4-173.9141.100117
38T49.9Very low50.9Low118 Ų118113.8 Ų113.872%0.72461%0.611SS**  trans-130.2108.7-177.641.60000112.6T36T36-T38 PolarHBondContact O-N 2.98Å
39C43.9Very low49.3Very low75 Ų75111.1 Ų111.151%0.50762%0.618SS.*PPolyproline II helixtrans-96.6122.4174.7-54.10000110.5C34C34-C39 PolarHBondContact SG-SG 3.07Å
40P45.7Very low48Very low91 Ų91116.3 Ų116.359%0.59164%0.637SS**PPolyproline II helixtrans-70.1158.1162.731-33.4000110.6L42P40-L42 PolarHBondContact O-N 3.17Å
41T48.2Very low47.1Very low94 Ų94114.3 Ų114.358%0.57764%0.64SS**PPolyproline II helixtrans-67.7116.9176.320.40000111.3Q43T41-Q43 PolarHBondContact O-N 3.43Å
42L43.4Very low46.6Very low91 Ų91110.6 Ų110.648%0.47662%0.624SS.*PPolyproline II helixtrans-69.6120.6177-75.7162.9000111V32 P40V32-L42 HydrophobicContact CG2-CD1 4.45Å; P40-L42 PolarHBondContact O-N 3.17Å
43Q45.6Very low46.1Very low179 Ų179116.5 Ų116.584%0.83665%0.649SS**PPolyproline II helixtrans-92.6116.6163.7-71.7-175.7-19.500109.2T41T41-Q43 PolarHBondContact O-N 3.43Å
44C44.9Very low45.4Very low62 Ų62118 Ų11842%0.41966%0.661SS.*PPolyproline II helixtrans-80.6118.4165.6-39.60000107.8L52 C58C44-L52 WeakPolarHBondContact SG-CD1 3.37Å; C44-C58 HydrophobicContact CB-CB 4.04Å; C44-C58 WeakPolarHBondContact CB-SG 3.14Å; C44-C58 WeakPolarHBondContact SG-CB 3.35Å; C44-C58 CovalentContact SG-SG 2.04Å; C44-C58 PolarHBondContact SG-SG 2.94Å
45G41.1Very low45.5Very low70 Ų70118.8 Ų118.872%0.72267%0.674SS**PPolyproline II helixtrans-93.1147.3165.500000110.2
46E37.6Very low45.8Very low136 Ų136116 Ų11664%0.63666%0.661SS**SBendcis-130.6172.1-0.2-69.2177.2115.100110.3R77E46-R77 VanDerWaalsContact CD-NH2 3.29Å; E46-R77 IonicContact OE1-CZ 3.7Å; E46-R77 IonicContact OE1-NH1 2.73Å; E46-R77 PolarHBondContact OE1-NH1 3.22Å; E46-R77 IonicContact OE1-NH2 3.86Å; E46-R77 PolarHBondContact OE1-NH2 3.15Å; E46-R77 IonicContact OE2-CZ 3.99Å; E46-R77 IonicContact OE2-NH1 3.71Å; E46-R77 PolarHBondContact OE2-NH1 2.77Å; E46-R77 IonicContact OE2-NH2 2.74Å; E46-R77 PolarHBondContact OE2-NH2 3.47Å
47D38.9Very low46.1Very low163 Ų163113.5 Ų113.587%0.87265%0.646SS**SBendtrans70.3135.2-172-60.8-28.8000117.3
48E37.1Very low46.7Very low190 Ų190104.9 Ų104.989%0.88861%0.608SS**SBendtrans55.262174.3-57-146.7137.300120.2Q50E48-Q50 PolarHBondContact O-N 3.39Å
49G35.8Very low46.8Very low87 Ų87104.5 Ų104.590%0.89761%0.608SS**  65.912109.600000121.5
50Q43.4Very low47Very low180 Ų180109.2 Ų109.284%0.84162%0.622SS**  trans-116.6127.5173.7-75.6-174.7-12.400113E48E48-Q50 PolarHBondContact O-N 3.39Å
51L43.8Very low47.1Very low150 Ų150108.6 Ų108.679%0.78562%0.619SS**PPolyproline II helixtrans-72.6127.5165.2-85.571.3000108.8
52L51.1Low47Very low45 Ų45109.5 Ų109.524%0.23663%0.625CS.*PPolyproline II helixtrans-74.3143.3166-71.9166.1000110C44 Q56C44-L52 WeakPolarHBondContact SG-CD1 3.37Å; L52-Q56 HydrophobicContact CB-CB 4.42Å; L52-Q56 HydrophobicContact CD2-CB 4.1Å
53E51.5Low47.1Very low152 Ų152109.2 Ų109.271%0.7164%0.635SS**PPolyproline II helixtrans-72.9153.6171.7-66.9-152.5146.300111.4G55 Q56E53-G55 PolarHBondContact O-N 3.21Å; E53-G55 VanDerWaalsContact O-N 3.16Å; E53-Q56 PolarHBondContact O-N 3.11Å
54P50.7Low46.5Very low118 Ų118109.4 Ų109.477%0.76663%0.633SS**THydrogen-bonded Turntrans-53.8120.8-176.8-27.535.8000113.1
55G56.3Low45.9Very low44 Ų44113.8 Ų113.845%0.45465%0.652SS.*THydrogen-bonded Turntrans108.1-4.5176.800000116.1E53E53-G55 PolarHBondContact O-N 3.21Å; E53-G55 VanDerWaalsContact O-N 3.16Å
56Q58.7Low45.6Very low110 Ų110120.3 Ų120.351%0.51466%0.655SS.*BIsolated β-bridgetrans-91.6142.2177.7-65.8-171.7-11.800113.8L52 E53L52-Q56 HydrophobicContact CB-CB 4.42Å; L52-Q56 HydrophobicContact CD2-CB 4.1Å; E53-Q56 PolarHBondContact O-N 3.11Å
57C55.2Low45.2Very low26 Ų26119.8 Ų119.818%0.17666%0.661CS.*PPolyproline II helixtrans-88.9139.3177.7-70.10000113.3C25 R30 V32C25-C57 HydrophobicContact CB-CB 4.08Å; C25-C57 WeakPolarHBondContact CB-SG 3.47Å; C25-C57 WeakPolarHBondContact SG-CB 3.4Å; C25-C57 CovalentContact SG-SG 2.03Å; C25-C57 PolarHBondContact SG-SG 3.11Å; R30-C57 PolarHBondContact O-SG 3.37Å; R30-C57 VanDerWaalsContact O-SG 3.35Å; V32-C57 VanDerWaalsContact CG2-SG 3.57Å
58C58.4Low44.9Very low22 Ų22118.9 Ų118.915%0.14965%0.651CS.*PPolyproline II helixtrans-57.6136.3171.8-61.80000111.2C44 E60 C61C44-C58 HydrophobicContact CB-CB 4.04Å; C44-C58 WeakPolarHBondContact CB-SG 3.14Å; C44-C58 WeakPolarHBondContact SG-CB 3.35Å; C44-C58 CovalentContact SG-SG 2.04Å; C44-C58 PolarHBondContact SG-SG 2.94Å; C58-E60 VanDerWaalsContact C-N 3.29Å; C58-E60 PolarHBondContact O-N 3.49Å; C58-C61 WeakPolarHBondContact O-CB 3.35Å; C58-C61 PolarHBondContact O-N 3.21Å; C58-C61 VanDerWaalsContact O-N 3.14Å
59P51.3Low44.5Very low110 Ų110116 Ų11671%0.71465%0.649SS**G310 helixtrans-56.4-34.9-175.5-29.236000115.4
60E49.4Very low44.3Very low173 Ų173118.4 Ų118.481%0.80865%0.646SS**G310 helixtrans-75.8-19.2-178.5-64.5-148.4124.500114.5C58 V62 A63C58-E60 VanDerWaalsContact C-N 3.29Å; C58-E60 PolarHBondContact O-N 3.49Å; E60-V62 PolarHBondContact O-N 2.78Å; E60-A63 WeakPolarHBondContact O-CB 3.44Å; E60-A63 PolarHBondContact O-N 3.12Å
61C46.3Very low43.6Very low79 Ų79116.3 Ų116.353%0.53464%0.64SS.*G310 helixtrans-62.2-18.5179.8-68.60000113.1C58 A63C58-C61 WeakPolarHBondContact O-CB 3.35Å; C58-C61 PolarHBondContact O-N 3.21Å; C58-C61 VanDerWaalsContact O-N 3.14Å; C61-A63 PolarHBondContact O-N 3.26Å
62V47.4Very low42.9Very low113 Ų113115.1 Ų115.169%0.68564%0.642SS**G310 helixtrans-68.9-19.3176.5-172.10000112.2E60E60-V62 PolarHBondContact O-N 2.78Å
63A43.9Very low42Very low84 Ų84121.3 Ų121.369%0.69467%0.669SS**G310 helixtrans-94-17.4-168.600000116.1E60 C61E60-A63 WeakPolarHBondContact O-CB 3.44Å; E60-A63 PolarHBondContact O-N 3.12Å; C61-A63 PolarHBondContact O-N 3.26Å
64K34.6Very low40.8Very low183 Ų183118.6 Ų118.680%0.79667%0.673SS**  trans-140100.7-172.2-70.9177.6-175.5163.10113.5R66K64-R66 PolarHBondContact O-N 3.38Å
65N32.1Very low39.9Very low154 Ų154119.5 Ų119.582%0.82468%0.676SS**  trans-68.693.9161.6-85.7-50.5000110.3
66R34Very low38.6Very low208 Ų208122.5 Ų122.579%0.78569%0.688SS**  trans-133.1133.3156-84.9-165.8172.8-176.4-3.5109.9K64K64-R66 PolarHBondContact O-N 3.38Å
67V29.6Very low37.4Very low124 Ų124125.4 Ų125.475%0.75269%0.694SS**  trans-122.3101.6173.2177.60000105.7
68E31.6Very low36.2Very low144 Ų144129.9 Ų129.967%0.67372%0.721SS**  trans-152.6128.8177.8-109.2161.7-160.700107.3V70E68-V70 PolarHBondContact O-N 3.38Å
69P28.5Very low35Very low130 Ų130137.1 Ų137.184%0.84475%0.746SS**  trans-75.3111178.729.7-32.3000109.7L71P69-L71 PolarHBondContact O-N 3.43Å; P69-L71 VanDerWaalsContact O-N 3.12Å
70V33.1Very low34.1Very low137 Ų137138.1 Ų138.183%0.8375%0.75SS**  trans-74.9105.3-179.4179.80000110.1E68E68-V70 PolarHBondContact O-N 3.38Å
71L27.6Very low33.3Very low137 Ų137136.7 Ų136.772%0.71775%0.748SS**  trans-59.7131.4166-152.678.8000109P69 Q73P69-L71 PolarHBondContact O-N 3.43Å; P69-L71 VanDerWaalsContact O-N 3.12Å; L71-Q73 PolarHBondContact O-N 3.29Å
72P30.5Very low32.6Very low125 Ų125141 Ų14181%0.81276%0.76SS**  trans-72.487.9-177.428.6-34.9000111.5
73Q31.2Very low32.3Very low175 Ų175140.3 Ų140.382%0.81876%0.758SS**  trans-77120.6168.6-69.1-169.9-6.200109.9L71L71-Q73 PolarHBondContact O-N 3.29Å
74A25.9Very low31.7Very low95 Ų95148.1 Ų148.179%0.78577%0.77SS**  trans-78.9130.2173.500000111.1
75T32.1Very low31.5Very low136 Ų136144.2 Ų144.283%0.83477%0.765SS**  trans-167.5156.8150.810.30000109.5
76P30.3Very low31.5Very low107 Ų107142.1 Ų142.170%0.69576%0.758SS**  trans-89.8154.3-155.634.2-36.9000115.4T78P76-T78 PolarHBondContact O-N 3.25Å
77R32Very low31.5Very low172 Ų172142 Ų14265%0.64976%0.763SS**  trans-77.8103169.4-78.2-175.8167.7-166.4-5111.6E46E46-R77 VanDerWaalsContact CD-NH2 3.29Å; E46-R77 IonicContact OE1-CZ 3.7Å; E46-R77 IonicContact OE1-NH1 2.73Å; E46-R77 PolarHBondContact OE1-NH1 3.22Å; E46-R77 IonicContact OE1-NH2 3.86Å; E46-R77 PolarHBondContact OE1-NH2 3.15Å; E46-R77 IonicContact OE2-CZ 3.99Å; E46-R77 IonicContact OE2-NH1 3.71Å; E46-R77 PolarHBondContact OE2-NH1 2.77Å; E46-R77 IonicContact OE2-NH2 2.74Å; E46-R77 PolarHBondContact OE2-NH2 3.47Å
78T30.9Very low31.6Very low120 Ų120142.3 Ų142.374%0.73677%0.766SS**  trans-70.1128161.245.50000110.7P76P76-T78 PolarHBondContact O-N 3.25Å
79Y32.7Very low31.9Very low174 Ų174141.4 Ų141.468%0.68278%0.776SS**  trans-92.6142.7164.7-98.5-108000109.7
80T33.2Very low32Very low131 Ų131145.5 Ų145.580%0.80477%0.774SS**  trans-132.696.4168.356.10000110.2
81D31.8Very low32.4Very low142 Ų142144.2 Ų144.276%0.75977%0.769SS**  trans-67.4165.4152.1-70.9-64000109
82E31.5Very low32.6Very low170 Ų170143.6 Ų143.679%0.79477%0.77SS**  cis-156.3-152.620.4-145.3-153.3156.900108.4
83P40.5Very low32.8Very low98 Ų98142.2 Ų142.264%0.63677%0.77SS**  -111.7165.2-78.126.5-8.7000114.3
84R31.6Very low32.8Very low249 Ų249142.1 Ų142.194%0.9477%0.769SS**  trans-150.1118.1143.4-139.1-178.9-177.2178.22116.9
85S30.9Very low33.6Very low100 Ų100143.1 Ų143.170%0.69977%0.768SS**  trans-60.9159161.6-135.20000111.8
86T31.8Very low33.6Very low111 Ų111140.9 Ų140.968%0.68176%0.763SS**  cis-155157.319.940.50000110.4
87K35.4Very low33.8Very low205 Ų205146.9 Ų146.989%0.89177%0.774SS**  -172.5158.7121.3-104.6166.8-175.2176.10112.4
88T31.6Very low34Very low131 Ų131145.3 Ų145.380%0.80478%0.783SS**  trans-134.8136.7-158.5-37.70000112.7
89S36.2Very low34.2Very low125 Ų125147 Ų14787%0.87479%0.787SS**  trans-152.6101.5154570000111.2
90R31.6Very low35.1Very low216 Ų216144.2 Ų144.282%0.81579%0.79SS**  trans-97162163.4-145.2-178.2-173.9-164.61.8107.6
91P40.6Very low35.5Very low110 Ų110143.4 Ų143.471%0.71479%0.787SS**  -146.616393.739.9-24.7000115.4
92T33.5Very low35.8Very low123 Ų123142 Ų14276%0.75579%0.786SS**  trans21.7140.6149.457.50000121.1
93A34.2Very low36.7Very low97 Ų97139.6 Ų139.680%0.80279%0.785SS**  cis-153.317026.700000114.4
94E30.6Very low36.9Very low172 Ų172140.5 Ų140.580%0.80479%0.791SS**  trans-97.1-176.5159-41.2178.7154.600108.8
95P41.8Very low37.4Very low117 Ų117134.1 Ų134.176%0.7678%0.782SS**  cis-135.9-163.3-6.639.5-20000113.8
96A33.3Very low37.5Very low88 Ų88137.4 Ų137.473%0.72779%0.79SS**  trans104.8143.6146.900000119.7
97Y34.2Very low38Very low234 Ų234137.4 Ų137.492%0.91879%0.792SS**  trans-69.9136.4-177.5-70.9-104.3000112.1
98T35.7Very low37.9Very low139 Ų139135.6 Ų135.685%0.85379%0.792SS**  trans-141.8148.3154.7-41.10000109.5
99L36.5Very low38Very low156 Ų156133.1 Ų133.182%0.81779%0.793SS**PPolyproline II helixtrans-64.4148.7176.8-68.1163.9000111.1
100P50.5Low38.1Very low114 Ų114132.2 Ų132.274%0.7479%0.786SS**PPolyproline II helixtrans-62.9134.6174.426.9-34.1000110.5
101P41.4Very low38.9Very low114 Ų114128 Ų12874%0.7479%0.787SS**PPolyproline II helixtrans-69.7153.6177.329.8-34.9000111.3
102P39.2Very low39Very low114 Ų114126.3 Ų126.374%0.7479%0.79SS**PPolyproline II helixtrans-64.1147.1173.228.9-35000110.8
103P48.8Very low39.5Very low118 Ų118129 Ų12977%0.76680%0.798SS**PPolyproline II helixtrans-64.8142.3-179.527.1-34.6000111.3
104P45.7Very low39.9Very low118 Ų118134.9 Ų134.977%0.76680%0.8SS**PPolyproline II helixtrans-69.6144.1177.129.7-34.7000111.3
105P42.7Very low41Very low115 Ų115129.2 Ų129.275%0.74779%0.787SS**PPolyproline II helixtrans-75164.5167.933.9-35.6000111.3
106L33.2Very low41.6Very low168 Ų168129.8 Ų129.888%0.8879%0.791SS**  trans121.9150.9171.7-72163.6000112.1
107P40.4Very low42.5Very low112 Ų112132.4 Ų132.473%0.72779%0.792SS**  cis-131-170.7-26.837.5-20.2000112.7
108D35.1Very low43.3Very low167 Ų167123.7 Ų123.789%0.89377%0.773SS**  trans-53.7139179.2-73.4-71.9000115
109G33.7Very low44.5Very low79 Ų79122.9 Ų122.981%0.81477%0.77SS**  trans-82.5178.7-170.200000116.6
110S38.2Very low45.5Very low105 Ų105121.5 Ų121.573%0.73477%0.77SS**  trans-136.9151.9165.661.20000110.2
111P47.5Very low45.6Very low128 Ų128118.9 Ų118.983%0.83176%0.764SS**PPolyproline II helixtrans-72.7137.2-172.6-16.131.3000112
112G43.7Very low46.4Very low75 Ų75119 Ų11977%0.77377%0.765SS**PPolyproline II helixtrans-61.5148.117300000112.4R114G112-R114 PolarHBondContact O-N 3.47Å
113L42.8Very low47.3Very low178 Ų178119.7 Ų119.793%0.93277%0.769SS**PPolyproline II helixtrans-65.5131.3174.9-72.7168.8000110.1G115L113-G115 PolarHBondContact O-N 3.41Å
114R42.3Very low47.6Very low222 Ų222117 Ų11784%0.83876%0.763SS**PPolyproline II helixtrans-62.1121.1168.5-173-175.9-172.3-163.22.8107.7G112G112-R114 PolarHBondContact O-N 3.47Å
115G54.2Low48.2Very low52 Ų52117.1 Ų117.154%0.53676%0.763SS.*PPolyproline II helixtrans-56.7158.7175.100000112L113L113-G115 PolarHBondContact O-N 3.41Å
116P54.3Low48.9Very low129 Ų129117.6 Ų117.684%0.83877%0.766SS**PPolyproline II helixtrans-55.5145.2176.325.4-34.2000110.2G118P116-G118 PolarHBondContact O-N 3.08Å; P116-G118 VanDerWaalsContact O-N 3.16Å
117I53.2Low49.5Very low144 Ų144112.8 Ų112.874%0.73876%0.758SS**PPolyproline II helixtrans-62120167.9-65.1173.5000105.9
118G51Low49.8Very low51 Ų51114.7 Ų114.753%0.52676%0.762SS.*PPolyproline II helixtrans-56.7151.2176.400000110.5P116P116-G118 PolarHBondContact O-N 3.08Å; P116-G118 VanDerWaalsContact O-N 3.16Å
119P60Low50.6Low122 Ų122112.6 Ų112.679%0.79276%0.757SS**PPolyproline II helixtrans-53.8145.9176.225.3-34.4000109.6G121P119-G121 PolarHBondContact O-N 3.18Å
120P58.4Low51Low127 Ų127111.9 Ų111.983%0.82575%0.75SS**PPolyproline II helixtrans-49.6130.1169.2-24.334000108.9
121G52.4Low51.2Low59 Ų59115 Ų11561%0.60876%0.758SS**PPolyproline II helixtrans-54.4146.517500000109.7P119P119-G121 PolarHBondContact O-N 3.18Å
122P58.2Low50.9Low117 Ų117114.9 Ų114.976%0.7675%0.75SS**PPolyproline II helixtrans-53.1142.7176.524.5-34000109.1G124P122-G124 PolarHBondContact O-N 3.47Å
123P58.1Low50.8Low128 Ų128114.5 Ų114.583%0.83175%0.747SS**PPolyproline II helixtrans-49132169.5-2534.2000108.8
124G54.9Low50.7Low61 Ų61114.4 Ų114.463%0.62974%0.741SS**PPolyproline II helixtrans-53.7147.4173.900000109.6P122P122-G124 PolarHBondContact O-N 3.47Å
125P57.2Low50.5Low120 Ų120111.6 Ų111.678%0.77974%0.743SS**PPolyproline II helixtrans-52.1142.3177.723.8-33.9000109.2G127P125-G127 PolarHBondContact O-N 3.25Å; P125-G127 VanDerWaalsContact O-N 3.09Å
126P57.9Low49.7Very low125 Ų125112.6 Ų112.681%0.81275%0.753SS**PPolyproline II helixtrans-50.2123.7169.8-23.833.6000108.2D128P126-D128 PolarHBondContact O-N 3.16Å
127G46.5Very low48.7Very low68 Ų68113.7 Ų113.770%0.70175%0.751SS**PPolyproline II helixtrans-56.413817800000109.3P125P125-G127 PolarHBondContact O-N 3.25Å; P125-G127 VanDerWaalsContact O-N 3.09Å
128D45.4Very low48.3Very low151 Ų151112.6 Ų112.681%0.80775%0.754SS**PPolyproline II helixtrans-49.2135.8-174.6-60.4-68.7000110.6P126 G130P126-D128 PolarHBondContact O-N 3.16Å; D128-G130 PolarHBondContact O-N 3.1Å
129P52.5Low47.7Very low123 Ų123113.5 Ų113.580%0.79976%0.763SS**PPolyproline II helixtrans-51.1117.6172.4-25.534.5000108.8L131P129-L131 PolarHBondContact O-N 3.18Å
130G43.3Very low46.8Very low65 Ų65116.1 Ų116.167%0.6777%0.767SS**PPolyproline II helixtrans-57118.1-174.300000109.4D128 D132D128-G130 PolarHBondContact O-N 3.1Å; G130-D132 PolarHBondContact O-N 3.47Å
131L40.7Very low46.1Very low171 Ų171116.1 Ų116.190%0.89577%0.767SS**  trans-52.6114.1-177.1-74.4166.1000109.8P129 G133P129-L131 PolarHBondContact O-N 3.18Å; L131-G133 PolarHBondContact O-N 3.2Å
132D41.9Very low45.8Very low124 Ų124116.1 Ų116.166%0.66377%0.767SS**PPolyproline II helixtrans-55122.1171.4-70.8-71.4000108.3G130 E134 L1190G130-D132 PolarHBondContact O-N 3.47Å; D132-E134 PolarHBondContact O-N 3.36Å; D132-E134 VanDerWaalsContact O-N 3.15Å; D132-L1190 HydrophobicContact CB-CD1 4.12Å; D132-L1190 VanDerWaalsContact CG-CD1 3.46Å; D132-L1190 WeakPolarHBondContact OD2-CD1 3.46Å
133G42.4Very low45.1Very low68 Ų68116.3 Ų116.370%0.70177%0.768SS**PPolyproline II helixtrans-56.3119.5-158.800000113.3L131 N135L131-G133 PolarHBondContact O-N 3.2Å; G133-N135 PolarHBondContact O-N 3.09Å
134E39Very low44.5Very low176 Ų176116.2 Ų116.282%0.82277%0.767SS**PPolyproline II helixtrans-54129172.3-70-166.6121.600110D132 G136D132-E134 PolarHBondContact O-N 3.36Å; D132-E134 VanDerWaalsContact O-N 3.15Å; E134-G136 PolarHBondContact O-N 3.34Å; E134-G136 VanDerWaalsContact O-N 3.11Å
135N39.9Very low43.8Very low163 Ų163116.2 Ų116.287%0.87277%0.767SS**PPolyproline II helixtrans-59.1119.8174.1-71.3-75000108.4G133 L137G133-N135 PolarHBondContact O-N 3.09Å; N135-L137 PolarHBondContact O-N 2.77Å
136G35.9Very low43.4Very low73 Ų73116.3 Ų116.375%0.75377%0.768SS**PPolyproline II helixtrans-51.2121.8-161.700000113.8E134E134-G136 PolarHBondContact O-N 3.34Å; E134-G136 VanDerWaalsContact O-N 3.11Å
137L34.9Very low43Very low152 Ų152114.8 Ų114.880%0.79676%0.758SS**  trans-45131.3164.2-77.5163.3000109.2N135 G139N135-L137 PolarHBondContact O-N 2.77Å; L137-G139 PolarHBondContact O-N 2.67Å
138P43.6Very low42.9Very low121 Ų121117.1 Ų117.179%0.78676%0.761SS**PPolyproline II helixtrans-52.1118.2170.1-25.234.4000108.5M140P138-M140 PolarHBondContact O-N 2.87Å
139G39.1Very low42.8Very low70 Ų70119.2 Ų119.272%0.72277%0.766SS**PPolyproline II helixtrans-51.8129.8-168.100000111.1L137L137-G139 PolarHBondContact O-N 2.67Å
140M40Very low42.7Very low177 Ų177119.6 Ų119.687%0.87276%0.761SS**PPolyproline II helixtrans-46.7134.1179.5-69-177.472.400109.5P138 G142P138-M140 PolarHBondContact O-N 2.87Å; M140-G142 PolarHBondContact O-N 3.33Å
141P44.6Very low43Very low127 Ų127120.4 Ų120.483%0.82575%0.753SS**PPolyproline II helixtrans-48.2123.2174.2-27.935.1000109.1
142G45.4Very low43.5Very low59 Ų59117.8 Ų117.861%0.60874%0.74SS**PPolyproline II helixtrans-51.7141.8-172.200000110.6M140M140-G142 PolarHBondContact O-N 3.33Å
143P44.2Very low44.1Very low120 Ų120115.2 Ų115.278%0.77973%0.726SS**PPolyproline II helixtrans-51.7135.5-174.222-33.7000109.5G145P143-G145 PolarHBondContact O-N 3Å
144P46.1Very low44.6Very low127 Ų127121 Ų12183%0.82573%0.728SS**PPolyproline II helixtrans-47.5128.3179.6-29.635.3000110.3
145G39.3Very low45.3Very low61 Ų61116.7 Ų116.763%0.62971%0.709SS**PPolyproline II helixtrans-50.8143.6-177.500000110.6P143P143-G145 PolarHBondContact O-N 3Å
146P49.4Very low46Very low122 Ų122115.1 Ų115.179%0.79270%0.696SS**PPolyproline II helixtrans-51.3130.1-165.619.8-33.2000110.7
147P48.3Very low46.9Very low93 Ų93119.5 Ų119.560%0.60469%0.69SS**PPolyproline II helixtrans-58.1143.6-177.824.5-33.8000109.7V151P147-V151 HydrophobicContact CB-CG2 4.22Å; P147-V151 HydrophobicContact CG-CG2 4.15Å
148P44.5Very low47.4Very low116 Ų116115.8 Ų115.875%0.75368%0.677SS**PPolyproline II helixtrans-57.8150179.524.8-33.9000110.9D150P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 2.99Å
149Q43.2Very low47.4Very low196 Ų196119.1 Ų119.192%0.91667%0.674SS**SBendtrans-70.368.3-168.4-63.8175.7-40.100113.5
150D50.2Low47.4Very low131 Ų131119.4 Ų119.470%0.70167%0.669SS**  trans-158.628.4173.6-104.4-32.3000113.6P148 D152 D153P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 2.99Å; D150-D152 PolarHBondContact O-N 2.83Å; D150-D153 PolarHBondContact O-N 2.84Å
151V49.8Very low47.1Very low82 Ų82119 Ų11950%0.49767%0.667SS.*Hα-helixtrans-62.3-28.1-178.6-176.90000112.4P147 Y154 M155P147-V151 HydrophobicContact CB-CG2 4.22Å; P147-V151 HydrophobicContact CG-CG2 4.15Å; V151-Y154 PolarHBondContact O-N 3.06Å; V151-M155 PolarHBondContact O-N 2.83Å
152D52Low46.7Very low116 Ų116120.4 Ų120.462%0.6267%0.666SS**Hα-helixtrans-68-33.9177.9-79.7-66.6000114.3D150 Y154 M155 Q156D150-D152 PolarHBondContact O-N 2.83Å; D152-Y154 VanDerWaalsContact C-N 3.27Å; D152-Y154 PolarHBondContact O-N 3.39Å; D152-M155 CarbonylContact O-C 3.43Å; D152-M155 PolarHBondContact O-N 2.75Å; D152-Q156 WeakPolarHBondContact O-CB 3.38Å; D152-Q156 WeakPolarHBondContact O-CG 3.49Å; D152-Q156 PolarHBondContact O-N 3.07Å
153D53.5Low46.1Very low69 Ų69127.7 Ų127.737%0.36968%0.681SS.*Hα-helixtrans-71.2-25179.2-168.146.5000111.7D150 R157D150-D153 PolarHBondContact O-N 2.84Å; D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 WeakPolarHBondContact O-CD 3.24Å; D153-R157 WeakPolarHBondContact O-CG 3.3Å; D153-R157 PolarHBondContact O-N 3.17Å; D153-R157 VanDerWaalsContact O-N 3.11Å; D153-R157 IonicContact OD1-NE 3.87Å; D153-R157 PolarHBondContact OD1-NE 3.45Å; D153-R157 IonicContact OD1-NH2 3.07Å; D153-R157 IonicContact OD2-CZ 2.79Å; D153-R157 IonicContact OD2-NE 2.64Å; D153-R157 PolarHBondContact OD2-NE 3.04Å; D153-R157 IonicContact OD2-NH2 2.75Å; D153-R157 PolarHBondContact OD2-NH2 2.82Å
154Y53.4Low45.6Very low190 Ų190125.2 Ų125.275%0.74568%0.677SS**Hα-helixtrans-71.5-44.3169-167.7-107.2000111.6V151 D152 Q156 R157 S158V151-Y154 PolarHBondContact O-N 3.06Å; D152-Y154 VanDerWaalsContact C-N 3.27Å; D152-Y154 PolarHBondContact O-N 3.39Å; Y154-Q156 VanDerWaalsContact C-N 3.35Å; Y154-Q156 PolarHBondContact O-N 3.36Å; Y154-R157 PolarHBondContact O-N 3.08Å; Y154-S158 PolarHBondContact O-N 3.15Å; Y154-S158 VanDerWaalsContact O-N 3.11Å; Y154-S158 PolarHBondContact O-OG 2.71Å
155M54.4Low45.1Very low86 Ų86125.4 Ų125.442%0.42468%0.679SS.*Hα-helixtrans-72.6-21.6178.2-79.6-75-87.400114.3V151 D152 S158 R159V151-M155 PolarHBondContact O-N 2.83Å; D152-M155 CarbonylContact O-C 3.43Å; D152-M155 PolarHBondContact O-N 2.75Å; M155-S158 PolarHBondContact O-OG 3.08Å; M155-S158 VanDerWaalsContact O-OG 3.12Å; M155-R159 WeakPolarHBondContact O-CD 3.39Å; M155-R159 WeakPolarHBondContact O-CG 3.08Å
156Q55.1Low44.8Very low129 Ų129129.2 Ų129.260%0.60369%0.689SS**Hα-helixtrans-84.5-33.2171-71-173.230.900112D152 Y154 R159 A160D152-Q156 WeakPolarHBondContact O-CB 3.38Å; D152-Q156 WeakPolarHBondContact O-CG 3.49Å; D152-Q156 PolarHBondContact O-N 3.07Å; Y154-Q156 VanDerWaalsContact C-N 3.35Å; Y154-Q156 PolarHBondContact O-N 3.36Å; Q156-R159 CarbonylContact O-C 3.32Å; Q156-R159 PolarHBondContact O-N 2.92Å; Q156-A160 WeakPolarHBondContact O-CB 3.33Å; Q156-A160 PolarHBondContact O-N 3.09Å
157R53.8Low44.1Very low165 Ų165127 Ų12762%0.62369%0.688SS**Hα-helixtrans-67.7-38.2173.5-74.6170.5-165.6-136.54.9113D153 Y154 R159 A160D153-R157 WeakPolarHBondContact O-CB 3.4Å; D153-R157 WeakPolarHBondContact O-CD 3.24Å; D153-R157 WeakPolarHBondContact O-CG 3.3Å; D153-R157 PolarHBondContact O-N 3.17Å; D153-R157 VanDerWaalsContact O-N 3.11Å; D153-R157 IonicContact OD1-NE 3.87Å; D153-R157 PolarHBondContact OD1-NE 3.45Å; D153-R157 IonicContact OD1-NH2 3.07Å; D153-R157 IonicContact OD2-CZ 2.79Å; D153-R157 IonicContact OD2-NE 2.64Å; D153-R157 PolarHBondContact OD2-NE 3.04Å; D153-R157 IonicContact OD2-NH2 2.75Å; D153-R157 PolarHBondContact OD2-NH2 2.82Å; Y154-R157 PolarHBondContact O-N 3.08Å; R157-R159 PolarHBondContact O-N 2.7Å; R157-A160 PolarHBondContact O-N 2.92Å; R157-A160 VanDerWaalsContact O-N 3.17Å
158S46.2Very low43.4Very low75 Ų75131 Ų13152%0.52470%0.699SS.*Hα-helixtrans-65.5-27.2171.860.70000112.8Y154 M155Y154-S158 PolarHBondContact O-N 3.15Å; Y154-S158 VanDerWaalsContact O-N 3.11Å; Y154-S158 PolarHBondContact O-OG 2.71Å; M155-S158 PolarHBondContact O-OG 3.08Å; M155-S158 VanDerWaalsContact O-OG 3.12Å
159R44Very low42.7Very low191 Ų191133 Ų13372%0.72170%0.703SS**THydrogen-bonded Turntrans-89.1-3.7173.3-71.3175.1169.1148-4.2114.5M155 Q156 R157M155-R159 WeakPolarHBondContact O-CD 3.39Å; M155-R159 WeakPolarHBondContact O-CG 3.08Å; Q156-R159 CarbonylContact O-C 3.32Å; Q156-R159 PolarHBondContact O-N 2.92Å; R157-R159 PolarHBondContact O-N 2.7Å
160A39Very low42.2Very low76 Ų76130.8 Ų130.863%0.62870%0.703SS**THydrogen-bonded Turntrans-85.9-16.4177.500000113.3Q156 R157 I162Q156-A160 WeakPolarHBondContact O-CB 3.33Å; Q156-A160 PolarHBondContact O-N 3.09Å; R157-A160 PolarHBondContact O-N 2.92Å; R157-A160 VanDerWaalsContact O-N 3.17Å; A160-I162 PolarHBondContact O-N 3.32Å
161M33.6Very low41.2Very low167 Ų167129.4 Ų129.482%0.82370%0.7SS**SBendtrans-95.370.1172-67.1-163.7-175.900111.7
162I35.4Very low40.2Very low157 Ų157130.2 Ų130.281%0.80570%0.699SS**  trans-180110.8141.8-90.5149.1000109.1A160A160-I162 PolarHBondContact O-N 3.32Å
163K33.6Very low39.1Very low212 Ų212135 Ų13592%0.92271%0.71SS**  trans-138.4129.7156.4-74.9-177.8176.5178.90104.7
164G32.3Very low38Very low68 Ų68141.3 Ų141.370%0.70174%0.737SS**  cis-169.1-149.4-3.300000106.6
165P36.3Very low36.9Very low131 Ų131138.9 Ų138.985%0.85174%0.737SS**  cis-120-173.1442-28.6000113.4
166V31.9Very low35.9Very low141 Ų141141 Ų14186%0.85575%0.749SS**  trans-85.4144.9-178.8-166.40000111.4
167G35.3Very low34.7Very low75 Ų75145.2 Ų145.277%0.77376%0.759SS**  trans-157.8132.7165.600000109.6
168E33.1Very low33.6Very low179 Ų179143.9 Ų143.984%0.83677%0.769SS**  trans-92.8147.5-167.5-62.7171.7128.400113.1
169N30.1Very low33Very low156 Ų156145.8 Ų145.883%0.83478%0.778SS**  trans51.499.1162.2-63.7-12.8000119.8
170V32.9Very low32.4Very low151 Ų151146 Ų14692%0.91579%0.79SS**  -149.6150.6120.5169.10000108.3
171T30.5Very low32.3Very low102 Ų102145 Ų14563%0.62679%0.787SS**  trans-85.3164.9-175.847.10000115.4
172M26.9Very low32.7Very low98 Ų98142.5 Ų142.548%0.48378%0.783SS.*  trans18.9109.8157.8-62.3-164.3-179.900119.5Q1411 L1412M172-Q1411 HydrophobicContact CE-CB 3.66Å; M172-Q1411 HydrophobicContact SD-CB 3.51Å; M172-Q1411 VanDerWaalsContact SD-CB 3.51Å; M172-Q1411 HydrophobicContact SD-CG 4.33Å; M172-L1412 HydrophobicContact CE-CD2 3.76Å; M172-L1412 HydrophobicContact CE-CG 4.21Å
173Y28.9Very low33.1Very low218 Ų218141.1 Ų141.186%0.85578%0.784SS**  -175.5101103.7-115.3-82.9000109.9
174Q30.5Very low33.3Very low200 Ų200134.1 Ų134.194%0.93577%0.772SS**  trans-158.772.7161.3-143.8171.347.300111.8
175D30.5Very low33.8Very low139 Ų139139.6 Ų139.674%0.74378%0.779SS**  trans-98.1152.1151.9-153.1-22.2000108.6
176I33.1Very low34.3Very low131 Ų131139.2 Ų139.267%0.67278%0.776SS**  trans64124.7171.2-51.7-177000116.5
177R31.6Very low34.6Very low217 Ų217135.6 Ų135.682%0.81977%0.768SS**  cis-170.7141.1-20.8-114.9174.5-154.3-173.96.9106.8
178V29.9Very low35Very low138 Ų138136.5 Ų136.584%0.83677%0.768SS**SBendtrans-142.897.7143.5-173.20000109.7
179T32.9Very low35.7Very low115 Ų115133.6 Ų133.671%0.70677%0.765SS**  trans39.5105.4160.4620000119.4
180M31.3Very low36.2Very low196 Ų196129.6 Ų129.697%0.96676%0.76SS**  -97.8147.893.2-76-170.6167.600108.1
181G38.2Very low36.5Very low55 Ų55132 Ų13257%0.56776%0.759SS**  trans-72.4178.2173.200000111.3
182P40.9Very low37.4Very low114 Ų114132 Ų13274%0.7476%0.76SS**PPolyproline II helixtrans-54.8154.5157.829.4-35.4000109.2G184P182-G184 PolarHBondContact O-N 3.32Å; P182-G184 VanDerWaalsContact O-N 3.14Å
183P45.2Very low38.1Very low128 Ų128130.8 Ų130.883%0.83177%0.773SS**PPolyproline II helixtrans-48.9125.4157.4-20.632.6000107.4
184G36.4Very low38.8Very low64 Ų64127.1 Ų127.166%0.6677%0.773SS**PPolyproline II helixtrans-55.8148178.800000109.9P182P182-G184 PolarHBondContact O-N 3.32Å; P182-G184 VanDerWaalsContact O-N 3.14Å
185E43.1Very low39.3Very low183 Ų183124 Ų12486%0.85576%0.761SS**  trans-44.1130.6175.7-65.4-178.4130.400109.5G187E185-G187 PolarHBondContact O-N 3.01Å
186P46.5Very low40.1Very low123 Ų123120.3 Ų120.380%0.79976%0.756SS**  trans-53.7106175.7-26.435.2000108.9A188P186-A188 PolarHBondContact O-N 2.81Å; P186-A188 VanDerWaalsContact O-N 3.16Å
187G39.1Very low40.6Very low66 Ų66120.2 Ų120.268%0.6876%0.762SS**  trans-52.3124.5-166.700000110.2E185 P189E185-G187 PolarHBondContact O-N 3.01Å; G187-P189 VanDerWaalsContact O-N 3.16Å
188A42.3Very low41.4Very low93 Ų93115.4 Ų115.477%0.76976%0.759SS**  trans-33.7115.8-164.600000111.6P186 G190P186-A188 PolarHBondContact O-N 2.81Å; P186-A188 VanDerWaalsContact O-N 3.16Å; A188-G190 PolarHBondContact O-N 2.99Å
189P48.6Very low42.3Very low119 Ų119111.5 Ų111.577%0.77375%0.747SS**  trans-46.6110.9-164.9-33.335.5000111.7G187 F191G187-P189 VanDerWaalsContact O-N 3.16Å; P189-F191 PolarHBondContact O-N 2.88Å; P189-F191 VanDerWaalsContact O-N 3.13Å
190G41.1Very low43Very low71 Ų71112.1 Ų112.173%0.73275%0.752SS**  trans-52.9123.5-171.400000109.6A188A188-G190 PolarHBondContact O-N 2.99Å
191F39.5Very low43.7Very low203 Ų203110.6 Ų110.689%0.8975%0.747SS**  trans-29.4116.3-167.4-81.4-83000111.6P189 G193P189-F191 PolarHBondContact O-N 2.88Å; P189-F191 VanDerWaalsContact O-N 3.13Å; F191-G193 PolarHBondContact O-N 3.02Å
192P48.5Very low44.4Very low101 Ų101110.9 Ų110.966%0.65675%0.75SS**  trans-53.2112.1-168.719.1-31.9000109.2V194P192-V194 PolarHBondContact O-N 3.17Å
193G42.9Very low44.7Very low72 Ų72114.5 Ų114.574%0.74276%0.757SS**  trans-52.8118.7-170.300000109.1F191 I195F191-G193 PolarHBondContact O-N 3.02Å; G193-I195 PolarHBondContact O-N 3.46Å; G193-I195 VanDerWaalsContact O-N 3.1Å
194V42.6Very low45.2Very low142 Ų142114 Ų11486%0.86176%0.756SS**  trans-25.5107.4-159.1-177.40000111.4P192 G196P192-V194 PolarHBondContact O-N 3.17Å; V194-G196 PolarHBondContact O-N 2.83Å
195I42Very low46.2Very low133 Ų133113.9 Ų113.968%0.68276%0.755SS**  trans-48.4108.6-175.8-63.7174.8000107.7G193 T197G193-I195 PolarHBondContact O-N 3.46Å; G193-I195 VanDerWaalsContact O-N 3.1Å; I195-T197 PolarHBondContact O-N 2.89Å
196G45.3Very low46.7Very low63 Ų63111.3 Ų111.365%0.64975%0.754SS**  trans-56.8119.9177.900000106.8V194V194-G196 PolarHBondContact O-N 2.83Å
197T44.6Very low46.9Very low129 Ų129113.1 Ų113.179%0.79175%0.754SS**  trans-44.1120.5-179.147.90000108.1I195 G199I195-T197 PolarHBondContact O-N 2.89Å; T197-G199 PolarHBondContact O-N 2.67Å
198P48.5Very low47.6Very low115 Ų115113 Ų11375%0.74775%0.752SS**PPolyproline II helixtrans-47.6119-172.8-3235.8000109.6
199G49.4Very low47.9Very low57 Ų57115.9 Ų115.959%0.58876%0.755SS**PPolyproline II helixtrans-52134.2178.400000107.6T197 I201T197-G199 PolarHBondContact O-N 2.67Å; G199-I201 PolarHBondContact O-N 2.95Å
200P47.6Very low48.5Very low127 Ų127115.3 Ų115.383%0.82575%0.751SS**PPolyproline II helixtrans-51.4122.5-173.921.8-33.4000108G202P200-G202 PolarHBondContact O-N 2.94Å
201I46.5Very low49.2Very low164 Ų164114.8 Ų114.884%0.84175%0.746SS**  trans-48.8115-173.7-65.9174.6000106.7G199 Q203G199-I201 PolarHBondContact O-N 2.95Å; I201-Q203 PolarHBondContact O-N 2.83Å
202G51Low49.7Very low62 Ų62111 Ų11164%0.63974%0.742SS**  trans-53.6129.5-17600000107.9P200 S204P200-G202 PolarHBondContact O-N 2.94Å; G202-S204 PolarHBondContact O-N 3.16Å
203Q47.6Very low49.9Very low190 Ų190112.1 Ų112.189%0.88875%0.749SS**  trans-45.8121.4-176.2-74.1-178.2-20.300108.7I201 G205I201-Q203 PolarHBondContact O-N 2.83Å; Q203-G205 PolarHBondContact O-N 2.9Å
204S56.1Low50.4Low117 Ų117112 Ų11282%0.81875%0.748SS**PPolyproline II helixtrans-51.9118.517525.20000107.1G202G202-S204 PolarHBondContact O-N 3.16Å
205G57Low50.4Low61 Ų61112.8 Ų112.863%0.62975%0.747SS**PPolyproline II helixtrans-52.3139-177.600000109Q203 M207Q203-G205 PolarHBondContact O-N 2.9Å; G205-M207 PolarHBondContact O-N 3.02Å
206P54.1Low51.1Low129 Ų129111 Ų11184%0.83874%0.744SS**PPolyproline II helixtrans-52.4123.3-176.422.2-33.3000108.5G208P206-G208 PolarHBondContact O-N 3.3Å
207M51.5Low51.3Low162 Ų162111.6 Ų111.680%0.79875%0.75SS**  trans-56114.4179.2-176179.775.700107.1G205 D209G205-M207 PolarHBondContact O-N 3.02Å; M207-D209 PolarHBondContact O-N 3.02Å
208G52.9Low51.3Low62 Ų62109 Ų10964%0.63974%0.737SS**PPolyproline II helixtrans-54.7133.8-172.400000110.4P206 P210P206-G208 PolarHBondContact O-N 3.3Å; G208-P210 VanDerWaalsContact O-N 3.16Å
209D48.8Very low51.3Low155 Ų155112.7 Ų112.783%0.82974%0.736SS**PPolyproline II helixtrans-46.3121.8-174.8-68.9-57.6000110.4M207 G211M207-D209 PolarHBondContact O-N 3.02Å; D209-G211 PolarHBondContact O-N 3.04Å
210P60.3Low51.3Low106 Ų106110.2 Ų110.269%0.68871%0.711SS**PPolyproline II helixtrans-53.3117.9179.3-29.136000110.3G208G208-P210 VanDerWaalsContact O-N 3.16Å
211G57.1Low51.1Low60 Ų60108.5 Ų108.562%0.61969%0.691SS**PPolyproline II helixtrans-52.4137.8-174.500000111D209D209-G211 PolarHBondContact O-N 3.04Å
212P48.7Very low51.2Low124 Ų124102.8 Ų102.881%0.80567%0.666SS**PPolyproline II helixtrans-54.4125.2-169.220.5-32.9000110.5G214P212-G214 PolarHBondContact O-N 3.14Å
213P53.8Low51.4Low124 Ų124101.4 Ų101.481%0.80565%0.652SS**PPolyproline II helixtrans-52.6128.3-175.7-30.135.8000112.1N215P213-N215 PolarHBondContact O-N 3.15Å
214G53.3Low51.4Low70 Ų7097 Ų9772%0.72264%0.64SS**PPolyproline II helixtrans-58.8132.4-179.100000111.7P212P212-G214 PolarHBondContact O-N 3.14Å
215N41.8Very low51.3Low159 Ų15996.7 Ų96.785%0.8563%0.633SS**PPolyproline II helixtrans-50.5127.5-179.7-69-36.7000111.2P213 G217P213-N215 PolarHBondContact O-N 3.15Å; N215-G217 PolarHBondContact O-N 2.94Å; N215-G217 VanDerWaalsContact O-N 3.17Å
216P57.8Low50.7Low94 Ų9496.1 Ų96.161%0.6163%0.627SS**PPolyproline II helixtrans-57.7121.1178.6-27.435.3000112.2
217G50.2Low50.2Low76 Ų7697.3 Ų97.378%0.78463%0.626SS**PPolyproline II helixtrans-63.2145.2175.800000111.8N215N215-G217 PolarHBondContact O-N 2.94Å; N215-G217 VanDerWaalsContact O-N 3.17Å
218S43.4Very low49.9Very low74 Ų7496.8 Ų96.852%0.51763%0.627SS.*PPolyproline II helixtrans-87.3136.1-165.959.50000115G937 D938S218-G937 WeakPolarHBondContact O-CA 3.22Å; S218-D938 CarbonylContact C-O 3.1Å; S218-D938 WeakPolarHBondContact CA-O 3.49Å; S218-D938 WeakPolarHBondContact CB-O 3.5Å
219R47.8Very low49.5Very low193 Ų19397.6 Ų97.673%0.72864%0.635SS**  trans-56.8-120.8-173.1-167.7-141.7-169.6161.66.4119.7G937 D938R219-G937 VanDerWaalsContact O-CA 3.26Å; R219-G937 WeakPolarHBondContact O-CA 3.06Å; R219-G937 PolarHBondContact O-N 2.83Å; R219-D938 HydrophobicContact CB-CB 3.8Å; R219-D938 WeakPolarHBondContact CD-OD2 3.27Å; R219-D938 IonicContact CZ-OD2 3.42Å; R219-D938 VanDerWaalsContact N-N 3.1Å; R219-D938 PolarHBondContact N-O 2.96Å; R219-D938 IonicContact NE-OD2 3.43Å; R219-D938 IonicContact NH1-OD2 3.34Å; R219-D938 PolarHBondContact NH1-OD2 3.05Å
220G50.8Low49.4Very low5 Ų5100.4 Ų100.45%0.05264%0.64CS.*  trans-157.2147.9-170.800000114.5E935 R936G220-E935 VanDerWaalsContact C-OE1 3.25Å; G220-E935 VanDerWaalsContact CA-OE1 3.25Å; G220-E935 WeakPolarHBondContact CA-OE1 3.36Å; G220-R936 CarbonylContact C-O 3.58Å; G220-R936 VanDerWaalsContact CA-C 3.49Å; G220-R936 WeakPolarHBondContact CA-O 3.49Å; G220-R936 PolarHBondContact N-O 3.46Å
221H43.7Very low48.7Very low91 Ų91100.2 Ų100.242%0.42165%0.648SS.*  trans-87.9-161.5-169-146.1-64.6000113.3E935 R936H221-E935 VanDerWaalsContact N-CA 3.26Å; H221-E935 VanDerWaalsContact N-CB 3.3Å; H221-R936 HydrophobicContact CB-CB 3.79Å; H221-R936 VanDerWaalsContact CD2-CZ 3.45Å; H221-R936 PolarHBondContact CD2-NE 3.1Å; H221-R936 PolarHBondContact CD2-NH2 3.3Å; H221-R936 PolarHBondContact N-O 2.88Å; H221-R936 PolarHBondContact NE2-NH2 2.84Å
222S48.4Very low48.6Very low45 Ų45100.5 Ų100.532%0.31565%0.651SS.*  trans-138128.8147.3-55.60000113.5D932 K933S222-D932 WeakPolarHBondContact CB-OD1 3.34Å; S222-K933 VanDerWaalsContact C-N 3.29Å; S222-K933 VanDerWaalsContact CA-CA 3.46Å; S222-K933 VanDerWaalsContact OG-CE 3.22Å; S222-K933 WeakPolarHBondContact OG-CE 3.26Å; S222-K933 PolarHBondContact OG-NZ 2.89Å
223G54.6Low48.8Very low33 Ų33101.1 Ų101.134%0.3466%0.655SS.*  trans169133.9161.700000110.7K933 G934G223-K933 CarbonylContact C-O 3.42Å; G223-K933 CarbonylContact O-C 3.53Å; G223-K933 VanDerWaalsContact O-C 3.3Å; G223-G934 VanDerWaalsContact C-N 3.34Å; G223-G934 VanDerWaalsContact N-CA 3.34Å; G223-G934 VanDerWaalsContact N-N 3.14Å; G223-G934 PolarHBondContact O-N 2.67Å
224P47.7Very low48.6Very low98 Ų98102.2 Ų102.264%0.63665%0.652SS**  cis-143.846.732.645.1-23.4000117.4G931 D932 K933P224-G931 CarbonylContact C-O 3.54Å; P224-G931 VanDerWaalsContact CA-O 3.3Å; P224-G931 WeakPolarHBondContact CA-O 3.37Å; P224-D932 VanDerWaalsContact C-N 3.33Å; P224-K933 WeakPolarHBondContact CD-O 3.37Å
225V53.1Low48Very low109 Ų109102.5 Ų102.566%0.66166%0.655SS**  trans-43.4126166.7-57.70000116.6G931 D932V225-G931 CarbonylContact O-C 3.57Å; V225-G931 VanDerWaalsContact O-O 3.13Å; V225-D932 WeakPolarHBondContact CA-O 3.3Å; V225-D932 VanDerWaalsContact N-N 3.17Å; V225-D932 PolarHBondContact N-O 2.78Å; V225-D932 PolarHBondContact O-N 3.25Å
226G44.7Very low48.2Very low50 Ų50106 Ų10652%0.51566%0.656SS.*  trans-144.1121.3179.700000117.7
227N44.6Very low47.9Very low153 Ų153107.6 Ų107.682%0.81867%0.667SS**  trans63.6156.8136.9-55.5-40.8000122.8
228D43.6Very low47.1Very low152 Ų152107.4 Ų107.481%0.81367%0.665SS**PPolyproline II helixtrans-86.9153-163-46.6-87.1000117.5
229G46.3Very low46.9Very low79 Ų79112.7 Ų112.781%0.81469%0.686SS**PPolyproline II helixtrans-83130.8153.500000111.4
230K45.8Very low46.5Very low214 Ų214113.9 Ų113.993%0.9370%0.697SS**PPolyproline II helixtrans-72.6148.9-167.4-67.8178.8179.91750114.7
231A45.9Very low45.9Very low102 Ų102117.3 Ų117.384%0.84373%0.732SS**PPolyproline II helixtrans-73.8155.8-176.600000115.3
232G54.9Low45.6Very low66 Ų66118.3 Ų118.368%0.6876%0.756SS**PPolyproline II helixtrans-77.9161.3167.600000113.6
233P51.8Low45.2Very low137 Ų137128.1 Ų128.189%0.8979%0.786SS**PPolyproline II helixtrans-78.9163.6-167.830.8-36000116
234I49.5Very low44.6Very low146 Ų146129.8 Ų129.875%0.74980%0.803SS**PPolyproline II helixtrans-79.3137.3-161-64.6161.5000114.6R236I234-R236 HydrophobicContact CG2-CG 3.81Å
235G42.6Very low44.3Very low76 Ų76131.9 Ų131.978%0.78482%0.817SS**PPolyproline II helixtrans-102.7147.3150.800000111.4
236R45Very low43.9Very low232 Ų232137.4 Ų137.488%0.87583%0.826SS**  trans-113.2166.2-169.3-91.4-163.1171.9-160.3-2.1114.9I234I234-R236 HydrophobicContact CG2-CG 3.81Å
237P51.2Low43.4Very low128 Ų128138.3 Ų138.383%0.83184%0.836SS**  trans-115174.9-143.643.2-37.6000117.2
238G34.2Very low43.3Very low72 Ų72140.1 Ų140.174%0.74284%0.841SS**  trans133.2152.8175.200000110.7
239L39.3Very low43.2Very low185 Ų185138.8 Ų138.897%0.96984%0.841SS**  cis-148-174.8-3.4-99.5164.7000108.7
240K39.2Very low42.7Very low218 Ų218138.6 Ų138.695%0.94884%0.839SS**  trans-106.4126.4-163.9-169178.4-174.7176.30114.6
241G37.5Very low42.7Very low77 Ų77136 Ų13679%0.79484%0.841SS**  trans159.2153.2170.300000111.7
242A37.9Very low42.5Very low112 Ų112139.9 Ų139.993%0.92684%0.844SS**  cis-127-163.26.500000112.6
243R39.9Very low42Very low251 Ų251140 Ų14095%0.94785%0.845SS**  trans-145.1137.6-165.9-179.6-167.3-175.2-151.86.3114.6
244G42.8Very low41.6Very low68 Ų68143.1 Ų143.170%0.70185%0.848SS**  trans101166.5161.300000115.1
245P40.1Very low41.3Very low142 Ų142141 Ų14192%0.92285%0.852SS**  cis-103.4-156.312.840.5-35.3000115.1
246R44.8Very low41.5Very low225 Ų225140.7 Ų140.785%0.84985%0.849SS**  trans-151.9140.2-168168.6-169.6171.4-136.6-5.9112.4
247G35.6Very low41.5Very low70 Ų70137.9 Ų137.972%0.72285%0.85SS**  trans154150.9167.100000110.9
248M40.6Very low41.6Very low191 Ų191137.9 Ų137.994%0.94185%0.85SS**  cis-131.4173.85.2-75.8-171.4175.900111.4
249P43.1Very low42.2Very low124 Ų124137.7 Ų137.781%0.80585%0.848SS**  trans-111.9143.3-171.137.8-27.5000116.1
250G35.5Very low42.3Very low75 Ų75134.3 Ų134.377%0.77385%0.847SS**  trans76125.3132.600000120.8
251V46Very low42.6Very low160 Ų160132.2 Ų132.297%0.9784%0.843SS**  trans-136.6166.8143.2-104.90000109.3
252M42.3Very low42.7Very low182 Ų182131.9 Ų131.990%0.89784%0.839SS**PPolyproline II helixtrans-100.5144.2-157.9-178.4162.15300112.1
253G44.3Very low42.8Very low70 Ų70135 Ų13572%0.72284%0.839SS**PPolyproline II helixtrans-87.9147.9172.900000112.1
254E41.7Very low42.7Very low202 Ų202134.5 Ų134.594%0.94484%0.837SS**PPolyproline II helixtrans-80.1159.3173.5-65.5-168.1123.600112.1
255A45Very low42.5Very low101 Ų101134.4 Ų134.484%0.83584%0.837SS**PPolyproline II helixtrans-84.4138.3-167.300000113.4
256G45.9Very low42.1Very low69 Ų69134.3 Ų134.371%0.71182%0.824SS**PPolyproline II helixtrans-70142.3163.100000111.3
257L44.8Very low41.7Very low174 Ų174133.7 Ų133.791%0.91182%0.821SS**PPolyproline II helixtrans-65.1128.3176.5-76.9164.1000110.8
258P52.5Low41.7Very low127 Ų127133.7 Ų133.783%0.82582%0.822SS**PPolyproline II helixtrans-64.8135.1176.3-22.734.2000112.6
259G46.6Very low41.5Very low68 Ų68134.6 Ų134.670%0.70182%0.824SS**PPolyproline II helixtrans-69.4157.3171.800000112.9M261G259-M261 PolarHBondContact O-N 2.83Å
260A42.3Very low41.4Very low114 Ų114140.4 Ų140.494%0.94283%0.83SS**PPolyproline II helixtrans-62.9119.4179.200000111.4
261M45.8Very low41.5Very low175 Ų175140 Ų14086%0.86283%0.826SS**PPolyproline II helixtrans-85.3118.9-175.1-168.5-179.5-62.100111.1G259G259-M261 PolarHBondContact O-N 2.83Å
262G38.9Very low41.2Very low69 Ų69142 Ų14271%0.71183%0.825SS**PPolyproline II helixtrans-71.7126.7176.800000112.5R264G262-R264 PolarHBondContact O-N 3.4Å
263L41.3Very low41.3Very low179 Ų179142.8 Ų142.894%0.93783%0.826SS**  trans-7985.3176.6-74.8174.8000111.7G265L263-G265 PolarHBondContact O-N 2.52Å
264R37.2Very low41Very low239 Ų239143 Ų14390%0.90283%0.829SS**  trans-69.4114159.9-178.6-178.5-175.5172.13108.8G262G262-R264 PolarHBondContact O-N 3.4Å
265G37.5Very low41.1Very low67 Ų67141.9 Ų141.969%0.69183%0.827SS**  trans-78.8142.1175.400000112.9L263L263-G265 PolarHBondContact O-N 2.52Å
266E33.3Very low40.9Very low140 Ų140146.7 Ų146.765%0.65483%0.829SS**  trans-160.9127.2149.6-96.1-111.280.400109.8
267R35.4Very low40.6Very low211 Ų211146.6 Ų146.680%0.79683%0.828SS**  trans49118.4130.9-162-168.7-51.9-160.67.5118.7
268G36.5Very low40.5Very low71 Ų71147 Ų14773%0.73283%0.828SS**  cis153.31461.300000110.8
269E34.9Very low40Very low210 Ų210145.9 Ų145.998%0.98183%0.829SS**  trans-82.9138.4-170-65.7-168.5140.300114.9
270R41.6Very low39.6Very low246 Ų246145.7 Ų145.793%0.92883%0.827SS**  trans-142.9119.8165.2177.1-150.1-62.8-172-0.4105.6
271G37.9Very low39.6Very low67 Ų67148 Ų14869%0.69182%0.823SS**  cis151.2147.51.600000108.4
272E39.1Very low39.9Very low202 Ų202150.3 Ų150.394%0.94482%0.824SS**PPolyproline II helixtrans-90.3147.9-176.2-63.3-159133.500113.5
273E45.7Very low40Very low197 Ų197150.2 Ų150.292%0.92182%0.823SS**PPolyproline II helixtrans-78.8152.2-176.2-69.7-170.999.100113.1
274G36.8Very low40.1Very low76 Ų76148 Ų14878%0.78482%0.819SS**PPolyproline II helixtrans-78.6140.7-179.900000113.4
275I44Very low40.8Very low177 Ų177146.5 Ų146.591%0.90882%0.819SS**PPolyproline II helixtrans-67133.117152.5172.4000111.9
276K41.8Very low41.2Very low202 Ų202146.9 Ų146.988%0.87882%0.824SS**PPolyproline II helixtrans-87.1156.5174.5-167.1173.5178.31800109.9
277G38.7Very low42Very low67 Ų67147.9 Ų147.969%0.69183%0.832SS**  trans-63.9-172.1-178.300000115.4
278M42Very low43.2Very low184 Ų184143.7 Ų143.791%0.90683%0.833SS**  cis-150.7177.742.9-69.6172.759.900114.5
279A42.3Very low43.7Very low103 Ų103143.2 Ų143.285%0.85183%0.828SS**  trans-30.1159.2173.800000119
280G38.5Very low44.4Very low64 Ų64139.3 Ų139.366%0.6682%0.82SS**  cis147.2170.7-0.400000111.7
281D42.8Very low45.1Very low161 Ų161134.5 Ų134.586%0.86182%0.818SS**  trans-173.7173.9149.1-103.9-22.1000113.2
282Y50.7Low45.6Very low225 Ų225133.7 Ų133.788%0.88281%0.81SS**  trans-92.7123.2-154.1-78.6-107.3000117.5
283G41.3Very low46.1Very low67 Ų67130.1 Ų130.169%0.69180%0.804SS**  trans36.2138.8130.700000123.5
284P44.3Very low46.6Very low131 Ų131130 Ų13085%0.85180%0.801SS**  -109.3167.9122.534.2-34.1000112.3G286P284-G286 PolarHBondContact O-N 2.88Å
285K51.5Low47.1Very low208 Ų208129.2 Ų129.290%0.90479%0.793SS**PPolyproline II helixtrans-60135.8176.1-82.5-176.9174.61790111.2
286G45.9Very low47Very low76 Ų76126.4 Ų126.478%0.78479%0.789SS**PPolyproline II helixtrans-63.1136.7175.600000112.8P284P284-G286 PolarHBondContact O-N 2.88Å
287L51.4Low47.5Very low160 Ų160123.5 Ų123.584%0.83878%0.782SS**PPolyproline II helixtrans-66.9158.9159.7-68.7166.7000109.5G289L287-G289 PolarHBondContact O-N 3.25Å
288P58.9Low47.8Very low124 Ų124123.1 Ų123.181%0.80578%0.778SS**PPolyproline II helixtrans-53.8128.4169.1-2334000110.1
289G48.2Very low47.6Very low61 Ų61122.8 Ų122.863%0.62978%0.779SS**PPolyproline II helixtrans-60.4147.7174.900000110.6L287L287-G289 PolarHBondContact O-N 3.25Å
290P48.3Very low47.8Very low127 Ų127125.7 Ų125.783%0.82578%0.775SS**PPolyproline II helixtrans-56.7145.7173.126.3-34.3000109.6G292P290-G292 PolarHBondContact O-N 3.39Å
291V57.8Low48.2Very low145 Ų145125.7 Ų125.788%0.87978%0.775SS**  trans-55.3114.9173.7176.80000107.7
292G47.5Very low48Very low50 Ų50127.3 Ų127.352%0.51578%0.777SS.*PPolyproline II helixtrans-56.3145.5177.600000110.1P290 K294P290-G292 PolarHBondContact O-N 3.39Å; G292-K294 PolarHBondContact O-N 3.24Å; G292-K294 VanDerWaalsContact O-N 3.15Å
293P49.4Very low47.9Very low128 Ų128127 Ų12783%0.83178%0.775SS**PPolyproline II helixtrans-52.8127.5-179.422.8-33.3000109.1G295P293-G295 PolarHBondContact O-N 3.22Å
294K55.8Low48.3Very low193 Ų193126.8 Ų126.884%0.83977%0.773SS**PPolyproline II helixtrans-49.5116.6177.6179.9-176.3178.7-174.90107.4G292 S296G292-K294 PolarHBondContact O-N 3.24Å; G292-K294 VanDerWaalsContact O-N 3.15Å; K294-S296 PolarHBondContact O-N 3.14Å
295G47.7Very low48.5Very low61 Ų61129.4 Ų129.463%0.62977%0.773SS**PPolyproline II helixtrans-49.9137.4-171.300000111P293 I297P293-G295 PolarHBondContact O-N 3.22Å; G295-I297 PolarHBondContact O-N 3.01Å
296S42Very low48.8Very low118 Ų118125 Ų12583%0.82577%0.766SS**PPolyproline II helixtrans-51.3127.9173.838.60000108.6K294 G298K294-S296 PolarHBondContact O-N 3.14Å; S296-G298 PolarHBondContact O-N 3.46Å
297I52.4Low49Very low140 Ų140124.1 Ų124.172%0.71876%0.757SS**  trans-60.4109.6170-64172.2000104.7G295 L299G295-I297 PolarHBondContact O-N 3.01Å; I297-L299 PolarHBondContact O-N 3.27Å
298G44.9Very low48.9Very low60 Ų60122.8 Ų122.862%0.61976%0.758SS**  trans-53.7136.217800000108.6S296 Q300S296-G298 PolarHBondContact O-N 3.46Å; G298-Q300 PolarHBondContact O-N 3.34Å
299L38.9Very low48.5Very low177 Ų177128.4 Ų128.493%0.92776%0.763SS**  trans-46.1102.8-171.3-77.8168000110.5I297 G301I297-L299 PolarHBondContact O-N 3.27Å; L299-G301 PolarHBondContact O-N 3.5Å
300Q46Very low48.5Very low163 Ų163128.4 Ų128.476%0.76276%0.763SS**  trans-67.5102.5176.4-17617212.200105.5G298 Q302G298-Q300 PolarHBondContact O-N 3.34Å; Q300-Q302 PolarHBondContact O-N 3.13Å
301G45.8Very low48Very low64 Ų64132.8 Ų132.866%0.6677%0.77SS**  trans-46.3132.5-170.500000110.7L299 R303L299-G301 PolarHBondContact O-N 3.5Å; G301-R303 PolarHBondContact O-N 3.29Å
302Q40.1Very low47.5Very low196 Ų196134.1 Ų134.192%0.91677%0.769SS**  trans-37.7111.7-164.4-79.2-177.5-18.400111Q300 G304Q300-Q302 PolarHBondContact O-N 3.13Å; Q302-G304 PolarHBondContact O-N 3.17Å
303R47.6Very low47.5Very low218 Ų218134.6 Ų134.682%0.82377%0.773SS**  trans-64.7102.2-179.2-172.8-176.1-163.7177.86.2107G301 E305G301-R303 PolarHBondContact O-N 3.29Å; R303-E305 PolarHBondContact O-N 3.31Å
304G49.7Very low47.2Very low63 Ų63136.6 Ų136.665%0.64978%0.776SS**  trans-47.1138.8-176.500000111.1Q302Q302-G304 PolarHBondContact O-N 3.17Å
305E49.7Very low47.1Very low185 Ų185133 Ų13386%0.86477%0.772SS**  trans-49.9126.3-167.8-64.9-164.9128.200111.4R303 G307R303-E305 PolarHBondContact O-N 3.31Å; E305-G307 PolarHBondContact O-N 3.26Å
306P56.7Low47.3Very low116 Ų116132.7 Ų132.775%0.75377%0.77SS**  trans-61106170.9-21.433.3000108.7
307G50.9Low47.4Very low57 Ų57133.3 Ų133.359%0.58877%0.771SS**  trans-50.9147.3-177.800000112E305 R309E305-G307 PolarHBondContact O-N 3.26Å; G307-R309 PolarHBondContact O-N 3.25Å
308P49.1Very low47.7Very low132 Ų132134.1 Ų134.186%0.85778%0.775SS**  trans-52.6111.3-164.418.7-32.5000111.5G310P308-G310 PolarHBondContact O-N 2.97Å
309R49.3Very low47.9Very low242 Ų242134 Ų13491%0.91377%0.774SS**  trans-66.4110.6-175-167.3176.4-172.8177.71.2108.6G307G307-R309 PolarHBondContact O-N 3.25Å
310G48.3Very low48.3Very low62 Ų62128.2 Ų128.264%0.63975%0.746SS**  trans-53.4149.8-170.800000113.9P308 M312P308-G310 PolarHBondContact O-N 2.97Å; G310-M312 PolarHBondContact O-N 2.92Å
311F39.4Very low48.3Very low219 Ų219125.5 Ų125.596%0.96174%0.736SS**  trans-45.4106.7-176.2-74.8-86.6000112.4G313F311-G313 PolarHBondContact O-N 2.92Å
312M45.6Very low48.6Very low173 Ų173124.7 Ų124.785%0.85273%0.728SS**PPolyproline II helixtrans-71.5122.6172.7-165.5166.568.200107.9G310G310-M312 PolarHBondContact O-N 2.92Å
313G47.7Very low49Very low60 Ų60121.5 Ų121.562%0.61972%0.722SS**PPolyproline II helixtrans-57.5151.5-174.900000112.9F311F311-G313 PolarHBondContact O-N 2.92Å
314L44.4Very low48.9Very low170 Ų170118.9 Ų118.989%0.8973%0.725SS**PPolyproline II helixtrans-46.1123.7177.8-73.5166.3000110.8G316L314-G316 PolarHBondContact O-N 3.18Å
315P53.5Low49Very low116 Ų116119.4 Ų119.475%0.75373%0.73SS**PPolyproline II helixtrans-54.7133.6170.4-25.735000110.3
316G51.6Low48.9Very low56 Ų56117 Ų11758%0.57773%0.727SS**PPolyproline II helixtrans-58.7153.1172.300000110.9L314 I318L314-G316 PolarHBondContact O-N 3.18Å; G316-I318 PolarHBondContact O-N 2.84Å
317P44.3Very low48.8Very low130 Ų130117.3 Ų117.384%0.84473%0.73SS**PPolyproline II helixtrans-56.3130.8-179.924.7-34.1000110.1G319P317-G319 PolarHBondContact O-N 3.02Å
318I58Low49Very low157 Ų157118 Ų11881%0.80574%0.737SS**PPolyproline II helixtrans-52.7133.1-178.9-74.2171.9000109.9G316 V320G316-I318 PolarHBondContact O-N 2.84Å; I318-V320 PolarHBondContact O-N 3.14Å
319G48.7Very low49.1Very low58 Ų58116.2 Ų116.260%0.59873%0.733SS**PPolyproline II helixtrans-60.8130.316900000109.4P317P317-G319 PolarHBondContact O-N 3.02Å
320V47.7Very low49.4Very low55 Ų55111.2 Ų111.233%0.33373%0.732SS.*  trans-36.4147.6166.1-79.90000114.2I318 R738 G739 E740I318-V320 PolarHBondContact O-N 3.14Å; V320-R738 WeakPolarHBondContact CA-O 3.48Å; V320-R738 HydrophobicContact CG1-CG 3.59Å; V320-G739 VanDerWaalsContact CB-CA 3.48Å; V320-E740 HydrophobicContact CB-CG 3.89Å; V320-E740 HydrophobicContact CG2-CG 3.59Å; V320-E740 WeakPolarHBondContact O-CG 3.42Å
321D47Very low49.6Very low106 Ų106111.4 Ų111.457%0.56773%0.734SS**PPolyproline II helixtrans-82.1119.6-176-62-63.5000116.4G739 E740D321-G739 CarbonylContact O-C 3.07Å; D321-G739 VanDerWaalsContact O-C 3.31Å; D321-E740 VanDerWaalsContact C-CG 3.48Å; D321-E740 WeakPolarHBondContact O-CA 3.34Å; D321-E740 WeakPolarHBondContact O-CB 3.18Å; D321-E740 PolarHBondContact O-N 2.63Å
322G51.3Low50Low48 Ų48108.8 Ų108.850%0.49573%0.73SS.*PPolyproline II helixtrans-63.2135.8179.400000116.8E740G322-E740 WeakPolarHBondContact CA-OE1 3.36Å; G322-E740 PolarHBondContact N-OE1 2.96Å
323T48.2Very low50.2Low128 Ų128107 Ų10779%0.78573%0.731SS**PPolyproline II helixtrans-65.3138.2-178.755.20000113.4G325T323-G325 PolarHBondContact O-N 2.93Å
324D46Very low50.1Low164 Ų164107.6 Ų107.688%0.87774%0.738SS**PPolyproline II helixtrans-47.3120.9-173.5-68.2-60.9000115.5
325G50.4Low50Low73 Ų73104.2 Ų104.275%0.75373%0.734SS**PPolyproline II helixtrans-80.1121.5165.100000111T323T323-G325 PolarHBondContact O-N 2.93Å
326V49.4Very low49.7Very low134 Ų134105.1 Ų105.181%0.81274%0.74SS**PPolyproline II helixtrans-55.8132.8-177.8-176.40000111.5G328V326-G328 PolarHBondContact O-N 2.95Å; V326-G328 VanDerWaalsContact O-N 3.16Å
327P54Low49.4Very low124 Ų124106.4 Ų106.481%0.80575%0.753SS**PPolyproline II helixtrans-57.9117.6176.4-26.535.3000112.8
328G55.1Low49.4Very low72 Ų72106.3 Ų106.374%0.74276%0.755SS**PPolyproline II helixtrans-70.3147.4170.800000111.8V326V326-G328 PolarHBondContact O-N 2.95Å; V326-G328 VanDerWaalsContact O-N 3.16Å
329A50.7Low48.7Very low94 Ų94108.5 Ų108.578%0.77776%0.762SS**PPolyproline II helixtrans-65.7147.2179.200000112.2G331A329-G331 PolarHBondContact O-N 3.31Å
330P56.6Low48.4Very low136 Ų136109.2 Ų109.288%0.88377%0.769SS**PPolyproline II helixtrans-56.9130.1169.9-2334.1000111.1
331G52.4Low48.2Very low66 Ų66112.1 Ų112.168%0.6879%0.792SS**PPolyproline II helixtrans-92.8161.5-166.800000116.3A329 P333A329-G331 PolarHBondContact O-N 3.31Å; G331-P333 WeakPolarHBondContact O-CD 3.04Å
332D46.8Very low48.5Very low165 Ų165113.7 Ų113.788%0.88281%0.808SS**PPolyproline II helixtrans-73.6124180-65.6-55.4000113.5G334D332-G334 PolarHBondContact O-N 3.11Å
333P49.4Very low48.1Very low134 Ų134114.8 Ų114.887%0.8782%0.819SS**  trans-76.973.3-178.5-20.836000116.9G331G331-P333 WeakPolarHBondContact O-CD 3.04Å
334G45.8Very low47.8Very low74 Ų74117 Ų11776%0.76383%0.826SS**  trans68.4160.8138.200000122.2D332D332-G334 PolarHBondContact O-N 3.11Å
335A43.4Very low47.6Very low99 Ų99118.5 Ų118.582%0.81883%0.827SS**  trans-145.3129.2162.800000109.1
336P47.3Very low47.8Very low135 Ų135117.6 Ų117.688%0.87782%0.818SS**  trans-98.2132.3-168.434.5-33.4000115.3
337G44.4Very low47.6Very low82 Ų82117.5 Ų117.585%0.84582%0.821SS**  trans95126.3138.300000119.7
338S44.8Very low47.3Very low128 Ų128120.6 Ų120.690%0.89582%0.824SS**  trans-149.8143.1149.161.70000109.5
339Q44.3Very low47.2Very low204 Ų204119.7 Ų119.795%0.95381%0.814SS**  trans-114.6141.5-170.9176.3-177.4-30.300112.5
340G42.2Very low46.8Very low72 Ų72121.5 Ų121.574%0.74282%0.819SS**  trans111.5151.7173.300000113.1
341S41.9Very low46.2Very low116 Ų116124.1 Ų124.181%0.81182%0.816SS**  cis-152.3160.3-1.658.80000110.1
342P54.8Low46.2Very low139 Ų139123.9 Ų123.990%0.90381%0.814SS**  trans-86.7144.1-166.533.3-35.7000115.3
343G41.6Very low46.1Very low71 Ų71124.9 Ų124.973%0.73281%0.813SS**  trans173.3154.9169.900000110.1
344L43Very low46.4Very low175 Ų175123.9 Ų123.992%0.91681%0.806SS**  cis-137154.7-0.6-81.3162000109.2G346L344-G346 PolarHBondContact O-N 3.02Å
345Q41.9Very low46.8Very low195 Ų195123.3 Ų123.391%0.91180%0.801SS**PPolyproline II helixtrans-77.6117.9175.7-173.1173.6600111
346G54.2Low46.9Very low55 Ų55126.8 Ų126.857%0.56781%0.805SS**PPolyproline II helixtrans-80159.1170.100000112.7L344L344-G346 PolarHBondContact O-N 3.02Å
347P44.5Very low47.4Very low132 Ų132126.2 Ų126.286%0.85780%0.801SS**PPolyproline II helixtrans-72.9152.1-170.129.8-36.1000113.9G349P347-G349 PolarHBondContact O-N 3.22Å; P347-G349 VanDerWaalsContact O-N 3.17Å
348E48.1Very low48Very low189 Ų189125 Ų12588%0.88379%0.788SS**  trans-67.2109177.5-170.3175.8170.800111.2
349G52.6Low48.2Very low52 Ų52125.2 Ų125.254%0.53679%0.786SS.*  trans-73156.8172.800000112.3P347 K351P347-G349 PolarHBondContact O-N 3.22Å; P347-G349 VanDerWaalsContact O-N 3.17Å; G349-K351 PolarHBondContact O-N 3.44Å
350P42.8Very low48.3Very low133 Ų133123.9 Ų123.986%0.86478%0.777SS**  trans-62134.1-167.624.8-34.7000112.8G352P350-G352 VanDerWaalsContact C-N 3.35Å; P350-G352 PolarHBondContact O-N 3.31Å
351K43.2Very low48.7Very low191 Ų191123.3 Ų123.383%0.8377%0.772SS**  trans-62.787.9178-171.4172.6-175.1170.20111.4G349G349-K351 PolarHBondContact O-N 3.44Å
352G53.4Low48.6Very low61 Ų61127.1 Ų127.163%0.62978%0.777SS**PPolyproline II helixtrans-54.2140.4172.700000110.9P350 P354P350-G352 VanDerWaalsContact C-N 3.35Å; P350-G352 PolarHBondContact O-N 3.31Å; G352-P354 VanDerWaalsContact O-CD 3.3Å; G352-P354 WeakPolarHBondContact O-CD 3.16Å
353Q45.1Very low48.2Very low186 Ų186124.7 Ų124.787%0.86976%0.759SS**PPolyproline II helixtrans-60.4122.1-174.9-67.9175.2-12.500110.7G355Q353-G355 PolarHBondContact O-N 3.06Å
354P55.5Low48.4Very low112 Ų112124.5 Ų124.573%0.72776%0.757SS**PPolyproline II helixtrans-56.6135.9155.2-18.332.5000108G352G352-P354 VanDerWaalsContact O-CD 3.3Å; G352-P354 WeakPolarHBondContact O-CD 3.16Å
355G54.3Low48.1Very low63 Ų63125.7 Ų125.765%0.64976%0.755SS**PPolyproline II helixtrans-57.8161.8175.500000111.8Q353Q353-G355 PolarHBondContact O-N 3.06Å
356L44.9Very low48.6Very low172 Ų172121.4 Ų121.490%0.90174%0.744SS**  trans-43.9129.1174.9-70.8168.5000110.3G358L356-G358 PolarHBondContact O-N 3.26Å; L356-G358 VanDerWaalsContact O-N 3.14Å
357P57.8Low48.3Very low123 Ų123122.1 Ų122.180%0.79975%0.751SS**PPolyproline II helixtrans-52.2124.8172.7-26.835000109.7
358G56.3Low48.1Very low56 Ų56124.3 Ų124.358%0.57776%0.755SS**PPolyproline II helixtrans-53.7152.1170.400000110L356 K360L356-G358 PolarHBondContact O-N 3.26Å; L356-G358 VanDerWaalsContact O-N 3.14Å; G358-K360 PolarHBondContact O-N 3.4Å; G358-K360 VanDerWaalsContact O-N 3.15Å
359P50.7Low47.9Very low132 Ų132126.6 Ų126.686%0.85776%0.755SS**PPolyproline II helixtrans-50.6127-174.921.3-33.2000110G361P359-G361 PolarHBondContact O-N 3.18Å
360K45.5Very low47.7Very low176 Ų176127.3 Ų127.377%0.76576%0.763SS**  trans-44.8109.4-178.5177.5-171.1175.8-1700109.1G358 V363G358-K360 PolarHBondContact O-N 3.4Å; G358-K360 VanDerWaalsContact O-N 3.15Å; K360-V363 VanDerWaalsContact CE-CG2 3.49Å
361G50.5Low47.5Very low60 Ų60129 Ų12962%0.61977%0.765SS**  trans-51.9142.617400000109.7P359 V363P359-G361 PolarHBondContact O-N 3.18Å; G361-V363 PolarHBondContact O-N 3.17Å
362E41Very low47.5Very low197 Ų197131.3 Ų131.392%0.92177%0.768SS**  trans-53.2139.7-175.2-66.7-168.313100110.5G364E362-G364 VanDerWaalsContact C-N 3.34Å; E362-G364 PolarHBondContact O-N 3.43Å
363V44.7Very low47.2Very low88 Ų88131.4 Ų131.453%0.53377%0.769SS.*  trans-7095.9-172.9-179.10000108K360 G361 F365 P366K360-V363 VanDerWaalsContact CE-CG2 3.49Å; G361-V363 PolarHBondContact O-N 3.17Å; V363-F365 PolarHBondContact O-N 3.1Å; V363-F365 VanDerWaalsContact O-N 3.14Å; V363-P366 HydrophobicContact CG1-CG 4.27Å
364G45.9Very low46.8Very low66 Ų66127 Ų12768%0.6877%0.765SS**PPolyproline II helixtrans-48.3122.5162.700000107.8E362E362-G364 VanDerWaalsContact C-N 3.34Å; E362-G364 PolarHBondContact O-N 3.43Å
365F37.8Very low46.6Very low200 Ų200127.7 Ų127.788%0.87777%0.769SS**PPolyproline II helixtrans-47.4126.4-164.2-77.8-91.7000111.1V363 G367V363-F365 PolarHBondContact O-N 3.1Å; V363-F365 VanDerWaalsContact O-N 3.14Å; F365-G367 PolarHBondContact O-N 2.88Å
366P51.9Low46.4Very low106 Ų106127.8 Ų127.869%0.68877%0.77SS**PPolyproline II helixtrans-55.9118.5169.6-21.132.9000107.5V363 L368V363-P366 HydrophobicContact CG1-CG 4.27Å; P366-L368 PolarHBondContact O-N 3.34Å
367G47.5Very low46.3Very low69 Ų69125.7 Ų125.771%0.71177%0.767SS**PPolyproline II helixtrans-51.9134.1175.700000108.9F365 R369F365-G367 PolarHBondContact O-N 2.88Å; G367-R369 PolarHBondContact O-N 2.72Å
368L39.8Very low45.7Very low179 Ų179125.2 Ų125.294%0.93777%0.766SS**  trans-52114.3-173.8-83.6171.3000109.1P366 G370P366-L368 PolarHBondContact O-N 3.34Å; L368-G370 PolarHBondContact O-N 3.38Å
369R44.3Very low45.1Very low236 Ų236125.6 Ų125.689%0.89177%0.77SS**  trans-57.6105.3-176177.2-173-170.1169.33.9107.4G367 D371G367-R369 PolarHBondContact O-N 2.72Å; R369-D371 PolarHBondContact O-N 3.26Å
370G49.2Very low44.6Very low68 Ų68126.7 Ų126.770%0.70177%0.769SS**  trans-46.3122.7-168.900000111.7L368 R372L368-G370 PolarHBondContact O-N 3.38Å; G370-R372 PolarHBondContact O-N 3.12Å; G370-R372 VanDerWaalsContact O-N 3.14Å
371D38.4Very low44.7Very low168 Ų168124.1 Ų124.190%0.89877%0.77SS**  trans-58.7123.3-177.2-89.2-51.7000109.3R369 G373R369-D371 PolarHBondContact O-N 3.26Å; D371-G373 PolarHBondContact O-N 2.92Å
372R42.6Very low44.2Very low240 Ų240124.6 Ų124.691%0.90678%0.775SS**  trans-61.5105.7-170.3-176.7-174.9-168.71772.5108G370 A374G370-R372 PolarHBondContact O-N 3.12Å; G370-R372 VanDerWaalsContact O-N 3.14Å; R372-A374 PolarHBondContact O-N 2.77Å
373G48.1Very low44.1Very low63 Ų63125.5 Ų125.565%0.64978%0.776SS**  trans-44.4130.4-174.700000111.6D371D371-G373 PolarHBondContact O-N 2.92Å
374A36.8Very low44Very low94 Ų94130.5 Ų130.578%0.77779%0.794SS**PPolyproline II helixtrans-51.5126.2-179.500000109R372 G376R372-A374 PolarHBondContact O-N 2.77Å; A374-G376 PolarHBondContact O-N 3.14Å; A374-G376 VanDerWaalsContact O-N 3.11Å
375P50.2Low43.5Very low125 Ų125130.5 Ų130.581%0.81279%0.793SS**PPolyproline II helixtrans-53.7123.6175.5-25.334.4000108.8
376G49.8Very low43.7Very low65 Ų65127.3 Ų127.367%0.6779%0.791SS**PPolyproline II helixtrans-53.2130.4-174.900000110.1A374 S378A374-G376 PolarHBondContact O-N 3.14Å; A374-G376 VanDerWaalsContact O-N 3.11Å; G376-S378 PolarHBondContact O-N 2.7Å; G376-S378 VanDerWaalsContact O-N 3.08Å
377P43Very low43.5Very low129 Ų129131 Ų13184%0.83880%0.798SS**PPolyproline II helixtrans-56.7121.6-179.523.2-32.8000108.3G379P377-G379 PolarHBondContact O-N 3.11Å
378S46.8Very low43.1Very low112 Ų112131.1 Ų131.178%0.78380%0.799SS**PPolyproline II helixtrans-55.5117.7-169.7-174.30000110G376 N380G376-S378 PolarHBondContact O-N 2.7Å; G376-S378 VanDerWaalsContact O-N 3.08Å; S378-N380 PolarHBondContact O-N 2.86Å
379G43.5Very low43.4Very low64 Ų64128.9 Ų128.966%0.6680%0.795SS**PPolyproline II helixtrans-55.4124178.900000110P377 P381P377-G379 PolarHBondContact O-N 3.11Å; G379-P381 WeakPolarHBondContact O-CD 3.38Å
380N38.6Very low43.4Very low155 Ų155123.8 Ų123.883%0.82979%0.793SS**PPolyproline II helixtrans-55.7124.5-179.5-81.2-38.9000109.7S378 G382S378-N380 PolarHBondContact O-N 2.86Å; N380-G382 PolarHBondContact O-N 2.96Å
381P48Very low42.8Very low123 Ų123123.8 Ų123.880%0.79979%0.793SS**PPolyproline II helixtrans-52.6137.5176.6-2936.8000111.6G379G379-P381 WeakPolarHBondContact O-CD 3.38Å
382G41.2Very low42.9Very low70 Ų70121.8 Ų121.872%0.72279%0.787SS**PPolyproline II helixtrans-66.6151.8-155.600000115.6N380 Q384N380-G382 PolarHBondContact O-N 2.96Å; G382-Q384 PolarHBondContact O-N 3.05Å; G382-Q384 VanDerWaalsContact O-N 3.1Å
383K37.1Very low42.9Very low215 Ų215118.1 Ų118.194%0.93578%0.784SS**  trans-67.2104.3151.6-78-169.4173.8-176.70108.1G385K383-G385 PolarHBondContact O-N 3.27Å
384Q43.6Very low42.6Very low194 Ų194118 Ų11891%0.90778%0.782SS**  trans-53.4131.2174.6-175.2173.9-16.100110.4G382G382-Q384 PolarHBondContact O-N 3.05Å; G382-Q384 VanDerWaalsContact O-N 3.1Å
385G36.3Very low42.9Very low65 Ų65121.1 Ų121.167%0.6779%0.786SS**  trans-81.8167.8-164.200000115.8K383K383-G385 PolarHBondContact O-N 3.27Å
386T42Very low42.4Very low134 Ų134125 Ų12582%0.82279%0.79SS**  trans-98.5104.2171.351.20000111.3
387H46.8Very low42Very low184 Ų184125.1 Ų125.185%0.85279%0.791SS**  trans33.3103.7148.3-54.192.7000118.5
388G39.1Very low41.7Very low71 Ų71128.4 Ų128.473%0.73280%0.795SS**PPolyproline II helixtrans-87.1149.2159.500000112.2
389P47Very low41.7Very low131 Ų131129 Ų12985%0.85180%0.796SS**PPolyproline II helixtrans-85.7125.216432.4-29.9000110.9
390P42.7Very low41.4Very low129 Ų129129.5 Ų129.584%0.83880%0.801SS**PPolyproline II helixtrans-96.2143.3-179.434.8-33000114.4
391G38.1Very low41.5Very low68 Ų68130.6 Ų130.670%0.70181%0.807SS**  trans93.1156.3162.600000117.1
392T39.1Very low41.4Very low127 Ų127135 Ų13578%0.77981%0.808SS**  cis-164.8141.2-10.724.20000111.4
393I43.9Very low41.5Very low162 Ų162134.9 Ų134.983%0.83181%0.807SS**  trans59.4123.1144.1-58.1167000120.4
394G41.5Very low41.5Very low60 Ų60133.1 Ų133.162%0.61980%0.801SS**  trans89.5142.3148.500000116.7
395N43.5Very low41.9Very low161 Ų161129.6 Ų129.686%0.86180%0.795SS**  cis-147.3156.68.8-72.7-58.5000113.5
396K39.7Very low42.2Very low207 Ų207130.1 Ų130.190%0.980%0.801SS**  trans-26.5138.3151.6175.9-170.9-176.9-175.50114.2
397G40Very low41.9Very low66 Ų66133.4 Ų133.468%0.6880%0.804SS**  cis135.9132.8-0.700000112.2
398E38.2Very low41.9Very low198 Ų198130.7 Ų130.793%0.92580%0.803SS**  trans-138.4163178.4-81.2-151.7121.900113
399P46Very low41.8Very low125 Ų125131.1 Ų131.181%0.81281%0.807SS**  trans-125162.8-149.540.5-26.5000117.2
400G38.1Very low41.5Very low74 Ų74134 Ų13476%0.76381%0.812SS**  trans118.1150.8179.500000111.2
401D39.1Very low41.4Very low178 Ų178137 Ų13795%0.95282%0.816SS**  cis-105.6174.519.2-106-46.3000116.6
402R46.6Very low41.3Very low215 Ų215136.8 Ų136.881%0.81182%0.815SS**PPolyproline II helixtrans-98.9122-163.8-175.7179.3-177.6173.50.6113.9H404R402-H404 PolarHBondContact O-ND1 2.99Å
403G43.2Very low41.5Very low68 Ų68139.4 Ų139.470%0.70182%0.822SS**PPolyproline II helixtrans-61.8143.1169.900000113
404H37.5Very low41Very low178 Ų178139.3 Ų139.382%0.82481%0.811SS**PPolyproline II helixtrans-99126.6178.7-77.563.6000110.6R402R402-H404 PolarHBondContact O-ND1 2.99Å
405P52.1Low40.7Very low120 Ų120138.8 Ų138.878%0.77981%0.806SS**PPolyproline II helixtrans-68.5145.2-178.8-20.733000113.6
406G41.3Very low40.8Very low77 Ų77137.6 Ų137.679%0.79479%0.794SS**PPolyproline II helixtrans-65.8146.3167.100000111.9
407K37.2Very low40.6Very low203 Ų203130.2 Ų130.288%0.88377%0.768SS**PPolyproline II helixtrans-91.6147.2175.5-74.1-172175-176.70111.4
408P47.2Very low40.4Very low127 Ų127128.7 Ų128.783%0.82575%0.753SS**PPolyproline II helixtrans-75.2162.9-177.1-14.431.3000113.6
409G37Very low40.5Very low80 Ų80122.4 Ų122.483%0.82574%0.741SS**PPolyproline II helixtrans-75.7167.5178.500000114.9
410M40.7Very low40Very low191 Ų191125.7 Ų125.794%0.94175%0.745SS**PPolyproline II helixtrans-99.6152.6-178.8-72.2175.360.500113.4
411M39.2Very low39.9Very low191 Ų191125.3 Ų125.394%0.94174%0.741SS**PPolyproline II helixtrans-101164.4167.3-143.2177.5-62.200108.3
412G35.5Very low40.1Very low65 Ų65122.7 Ų122.767%0.6772%0.723SS**  trans-154.4-171.4-166.800000121.1
413I44.7Very low39.6Very low181 Ų181120.8 Ų120.893%0.92873%0.727SS**  trans85.8157.3158.771.2160.2000123.8
414R33Very low39.2Very low160 Ų160120.8 Ų120.860%0.60473%0.727SS**  trans85.9144.3-163.5-155.4155.7-168.7127.621.1114D1236 Y1239R414-D1236 VanDerWaalsContact CG-OD2 3.26Å; R414-D1236 WeakPolarHBondContact CG-OD2 3.38Å; R414-D1236 IonicContact CZ-OD1 2.71Å; R414-D1236 IonicContact CZ-OD2 3.35Å; R414-D1236 VanDerWaalsContact CZ-OD2 3.27Å; R414-D1236 IonicContact NE-OD1 2.65Å; R414-D1236 IonicContact NE-OD2 3.91Å; R414-D1236 PolarHBondContact NE-OD2 3.27Å; R414-D1236 IonicContact NH2-OD1 3.15Å; R414-D1236 PolarHBondContact NH2-OD1 3.1Å; R414-D1236 IonicContact NH2-OD2 2.69Å; R414-D1236 PolarHBondContact NH2-OD2 2.82Å; R414-Y1239 VanDerWaalsContact NH2-CB 3.33Å
415G35.6Very low39.2Very low50 Ų50119 Ų11952%0.51572%0.723SS.*  cis-164.9-160.511.700000118D1236G415-D1236 WeakPolarHBondContact CA-OD2 3.07Å
416F45.9Very low38.4Very low136 Ų136120.3 Ų120.360%0.59673%0.729SS**  trans-119.2-140-170.5-63.2-48.4000114.7W1234 S1235 D1236F416-W1234 HydrophobicContact CB-CE3 3.54Å; F416-W1234 HydrophobicContact CB-CZ3 3.71Å; F416-W1234 AromaticContact CD1-CE3 3.7Å; F416-W1234 HydrophobicContact CD1-CE3 3.7Å; F416-W1234 AromaticContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CD1-CZ3 3.46Å; F416-W1234 VanDerWaalsContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CE1-CZ3 4.26Å; F416-W1234 AromaticContact CG-CE3 3.97Å; F416-W1234 HydrophobicContact CG-CE3 3.97Å; F416-W1234 AromaticContact CG-CZ3 3.73Å; F416-W1234 HydrophobicContact CG-CZ3 3.73Å; F416-W1234 CarbonylContact O-C 3.58Å; F416-S1235 CarbonylContact O-C 3.28Å; F416-S1235 VanDerWaalsContact O-C 3.29Å; F416-S1235 WeakPolarHBondContact O-CA 3.21Å; F416-S1235 PolarHBondContact O-N 3.44Å; F416-D1236 VanDerWaalsContact C-CB 3.44Å; F416-D1236 VanDerWaalsContact N-CB 3.32Å; F416-D1236 PolarHBondContact N-OD2 3.07Å; F416-D1236 WeakPolarHBondContact O-CB 3.09Å; F416-D1236 PolarHBondContact O-N 2.74Å
417S35.7Very low38.1Very low51 Ų51119.8 Ų119.836%0.35772%0.723SS.*  cis-157.6102.3-12.755.20000113.4W1234 S1235 D1236S417-W1234 VanDerWaalsContact CA-CE3 3.49Å; S417-S1235 VanDerWaalsContact N-N 3.16Å; S417-S1235 PolarHBondContact N-O 2.72Å; S417-S1235 PolarHBondContact OG-O 3.13Å; S417-D1236 WeakPolarHBondContact OG-CA 3.45Å
418G35.3Very low38Very low35 Ų35115.4 Ų115.436%0.36173%0.725SS.*  trans75.7165.4171.200000119E1233 W1234 S1235G418-E1233 CarbonylContact C-O 3.52Å; G418-E1233 WeakPolarHBondContact CA-O 3.45Å; G418-W1234 VanDerWaalsContact N-CA 3.33Å; G418-W1234 CarbonylContact O-C 3.55Å; G418-W1234 VanDerWaalsContact O-CA 3.27Å; G418-W1234 WeakPolarHBondContact O-CA 3.24Å; G418-S1235 PolarHBondContact O-N 3.47Å
419G40.6Very low37.5Very low65 Ų65119.6 Ų119.667%0.6773%0.73SS**  cis143.3147.2-7.300000112.7E1233G419-E1233 PolarHBondContact N-O 2.78Å
420E35.8Very low37.6Very low195 Ų195119 Ų11991%0.91172%0.724SS**  cis-123.4-126.8-5.4-58.6-166.912100111.6
421G34.6Very low38Very low65 Ų65116 Ų11667%0.6772%0.719SS**  cis-173-156.513.200000113.2
422E43.2Very low38Very low123 Ų123116.6 Ų116.658%0.57572%0.719SS**  trans-134.9178.7-166.1-80.3-166.816900117.3R1229E422-R1229 WeakPolarHBondContact OE1-CA 3.35Å; E422-R1229 PolarHBondContact OE1-N 3.46Å
423I37.4Very low38.4Very low175 Ų175117 Ų11790%0.89772%0.724SS**  trans94.5133164-52.9174.7000115.9
424G34.8Very low37.9Very low69 Ų69114.1 Ų114.171%0.71172%0.719SS**  cis-160.4-149.712.400000117.1
425L37.2Very low38.4Very low139 Ų139113.7 Ų113.773%0.72873%0.734SS**  trans-115.5169.1-153.3-73.9165.7000117
426V35.5Very low38.7Very low149 Ų149114.4 Ų114.490%0.90374%0.742SS**  trans85.8133.9162.6-167.60000116.2
427G35Very low38Very low66 Ų66116.2 Ų116.268%0.6876%0.757SS**  cis165.5165.3-11.200000116.2
428A34.1Very low38.1Very low110 Ų110123.6 Ų123.691%0.90979%0.785SS**  trans56.4117.8158.500000122.3
429K37.9Very low38.2Very low215 Ų215125 Ų12594%0.93580%0.801SS**  -139.4144.6129.1-169.2174.6179.2-174.90109.2
430G38.2Very low37.6Very low67 Ų67127 Ų12769%0.69181%0.81SS**  trans-109.3-143.1-172.700000114.8
431P48.2Very low37.9Very low130 Ų130127 Ų12784%0.84481%0.81SS**  -121.9154.7-122.739.7-28.4000116.1
432E40.5Very low38.2Very low203 Ų203127 Ų12795%0.94981%0.81SS**  trans-165.7152.7162.2-108166.8174.900107.5
433G43.8Very low38.3Very low74 Ų74129.5 Ų129.576%0.76383%0.827SS**  cis-162.5161.7-400000110.7
434S34Very low38.8Very low119 Ų119127 Ų12783%0.83282%0.822SS**  trans-99.6140-166.456.70000115.5
435V43.8Very low38.9Very low151 Ų151127 Ų12792%0.91582%0.822SS**  trans-145141160.5-1720000107.7
436G40.5Very low39.4Very low66 Ų66126.6 Ų126.668%0.6883%0.827SS**  cis162.872.5-300000113.4
437L33Very low39.6Very low173 Ų173128.7 Ų128.791%0.90683%0.827SS**  trans19.6115.5153.1-67.1165.3000120.5
438Q37.5Very low39.6Very low206 Ų206128.5 Ų128.596%0.96383%0.826SS**  trans-172.8148.1135.5-107.6172.1-0.900109.9
439G35.6Very low39.7Very low66 Ų66131 Ų13168%0.6882%0.822SS**  cis160.9140.1-8.700000112.1
440A30Very low39.7Very low105 Ų105130.5 Ų130.587%0.86882%0.82SS**  trans67.2161.8-177.600000114.7
441Q41.2Very low39.8Very low195 Ų195131 Ų13191%0.91183%0.825SS**  cis-138.315815.2-158.3162.95.100112.7
442G40.9Very low39.1Very low65 Ų65136.8 Ų136.867%0.6783%0.83SS**PPolyproline II helixtrans-85.6171.4-159.300000117.7P444G442-P444 WeakPolarHBondContact O-CD 3.31Å
443L46.1Very low39.1Very low177 Ų177139.1 Ų139.193%0.92783%0.83SS**PPolyproline II helixtrans-63.8128.5179-63.5165.6000113.1
444P46.1Very low38.6Very low122 Ų122138.7 Ų138.779%0.79283%0.826SS**PPolyproline II helixtrans-87.7144.7156-7.427.6000110.7G442G442-P444 WeakPolarHBondContact O-CD 3.31Å
445G38Very low38.8Very low69 Ų69142.9 Ų142.971%0.71183%0.833SS**  trans-80.7-179.2-172.700000116.5
446P47.6Very low38.5Very low130 Ų130146.7 Ų146.784%0.84483%0.831SS**  trans-79.3172.4-177.433.4-36.6000114.7
447E38.8Very low38.9Very low193 Ų193146.4 Ų146.490%0.90283%0.828SS**  trans75.2139.2-177.4-57.9-149.4105.800117.4
448G36.8Very low39.4Very low63 Ų63144.6 Ų144.665%0.64983%0.826SS**  cis-175.9175.8-2.900000117.1
449I34.5Very low39.5Very low163 Ų163142 Ų14284%0.83682%0.818SS**  trans42.4101.7158.455.8169.4000122.9
450K38.7Very low39.9Very low203 Ų203142 Ų14288%0.88382%0.819SS**  66.7112.4118.5-161.4175.6-170.5171.70120.7
451G39.8Very low40.7Very low78 Ų78143 Ų14380%0.80482%0.816SS**  trans-125.4169.3166.900000114.2
452R34.6Very low40.8Very low251 Ų251140.8 Ų140.895%0.94782%0.816SS**  trans-117.1147.3-167.8-86.7-177.4169.2-175.5-1.2116.3
453R38.9Very low40.7Very low252 Ų252141.2 Ų141.295%0.95182%0.819SS**  trans-8.5131.5148.8174.3-164.2-93.9-169.6-5.1118.3
454G35Very low40.7Very low66 Ų66142.4 Ų142.468%0.6882%0.82SS**  trans-179.9148.615400000109.3
455E38.6Very low40.5Very low207 Ų207145.7 Ų145.797%0.96783%0.825SS**  cis-133.6-1584.8-63.1-162111.100112.7
456R37.3Very low40.4Very low231 Ų231145.5 Ų145.587%0.87282%0.823SS**  trans-146.9144.1-166.2164.9-160.3-84-169.8-7.2111.9
457G48.5Very low40.2Very low60 Ų60145.1 Ų145.162%0.61982%0.824SS**  trans134169.8149.100000115.3
458P42.7Very low40.3Very low134 Ų134147.8 Ų147.887%0.8783%0.825SS**  cis-103.9-170.58.139.3-33.5000115.2
459L39.7Very low40.3Very low152 Ų152148.1 Ų148.180%0.79683%0.828SS**  trans-114.8158.7-173.8-88.368.4000113.9
460G44.4Very low40.7Very low67 Ų67149.2 Ų149.269%0.69183%0.834SS**  trans94.8165.8131.600000118.2
461P47.1Very low40.7Very low125 Ų125151.3 Ų151.381%0.81284%0.837SS**  cis-96.5174-2.338.1-31.9000113
462V43.7Very low40.6Very low149 Ų149151.1 Ų151.190%0.90383%0.834SS**  cis91.1118.224.3-178.30000116
463G38.5Very low41Very low73 Ų73145 Ų14575%0.75383%0.83SS**  trans124.6131.7169.800000113.6
464E46.3Very low41.2Very low203 Ų203138 Ų13895%0.94983%0.826SS**  cis-1381702.7-80.3-156.9117.900114.4
465Q40.5Very low41.6Very low190 Ų190138.3 Ų138.389%0.88883%0.829SS**  trans-95.7157.1177.7154.6-167.3-25.600110
466G37.3Very low41.6Very low65 Ų65136.8 Ų136.867%0.6783%0.827SS**  cis139.4138.8-0.800000112.1
467S43.5Very low41.8Very low122 Ų122131.8 Ų131.885%0.85383%0.827SS**  trans-162.6116.5166.740.70000116.9
468R39.8Very low41.7Very low250 Ų250132.2 Ų132.294%0.94383%0.831SS**  trans14.9123.2133.4-164.1-174-149.8164.74.5117.9
469G36.4Very low41.8Very low69 Ų69130.3 Ų130.371%0.71183%0.827SS**  cis126.2143.5-3.900000114.3
470I43.7Very low42.1Very low187 Ų187129.1 Ų129.196%0.95983%0.828SS**  trans-147.4162.515928.3172.3000112.6
471R37.7Very low42.1Very low247 Ų247129.3 Ų129.393%0.93283%0.83SS**  trans-75.5136.7-162.9167-167.6-74.1168.5-7.1115.4
472G39.1Very low41.8Very low73 Ų73132.5 Ų132.575%0.75383%0.834SS**  127.498.512700000119.8
473S41.5Very low41.7Very low124 Ų124134.6 Ų134.687%0.86783%0.834SS**  trans-152.4158.5150.565.20000110.2
474A43Very low41.9Very low104 Ų104134.1 Ų134.186%0.8683%0.828SS**  trans-70.5164.4-179.500000112.8
475G43.4Very low41.6Very low72 Ų72130.2 Ų130.274%0.74282%0.823SS**  trans-96.2153.7-163.300000116.9
476L40.6Very low41.7Very low176 Ų176132.8 Ų132.892%0.92183%0.825SS**  trans6177.5152.8-58.7175.5000117.6G478L476-G478 PolarHBondContact O-N 2.78Å
477S40Very low42Very low126 Ų126132.4 Ų132.488%0.88182%0.821SS**  trans-57.2124.9147.9-53.70000109.9
478G46.4Very low41.9Very low68 Ų68134.6 Ų134.670%0.70182%0.823SS**  trans-69175171.700000113L476L476-G478 PolarHBondContact O-N 2.78Å
479A44.7Very low42.3Very low94 Ų94128.5 Ų128.578%0.77782%0.815SS**PPolyproline II helixtrans-53.4153.7-175.100000114.1G481A479-G481 PolarHBondContact O-N 2.87Å
480P46.6Very low42.6Very low128 Ų128128.5 Ų128.583%0.83182%0.815SS**PPolyproline II helixtrans-51.8130.6170.2-24.534000111.2
481G45Very low42.4Very low70 Ų70128.1 Ų128.172%0.72281%0.814SS**PPolyproline II helixtrans-61.1147.3167.400000110.2A479 E483A479-G481 PolarHBondContact O-N 2.87Å; G481-E483 PolarHBondContact O-N 3.02Å
482H40.4Very low42.6Very low192 Ų192127.4 Ų127.489%0.88981%0.811SS**PPolyproline II helixtrans-57.9137.1174.5-71.9-88.6000110.2G484H482-G484 PolarHBondContact O-N 3.42Å
483E42.3Very low43Very low194 Ų194126.2 Ų126.291%0.90780%0.799SS**PPolyproline II helixtrans-55.5123.9172.4-172174-178.300108.8G481 S485G481-E483 PolarHBondContact O-N 3.02Å; E483-S485 PolarHBondContact O-N 2.82Å
484G41.9Very low43.4Very low62 Ų62126.1 Ų126.164%0.63980%0.795SS**PPolyproline II helixtrans-62.1138.8-171.100000111.3H482 R486H482-G484 PolarHBondContact O-N 3.42Å; G484-R486 PolarHBondContact O-N 2.82Å
485S40.5Very low43.6Very low121 Ų121126.5 Ų126.585%0.84679%0.789SS**  trans-56.1104.8169.951.10000108.8E483 G487E483-S485 PolarHBondContact O-N 2.82Å; S485-G487 PolarHBondContact O-N 3.32Å
486R41.8Very low43.8Very low245 Ų245126 Ų12693%0.92578%0.784SS**  trans-55.4105.4-174.9-174.3177.3-172.6159.1-0.1109.2G484G484-R486 PolarHBondContact O-N 2.82Å
487G44.1Very low44.1Very low57 Ų57123.8 Ų123.859%0.58878%0.78SS**  trans-56.4151.3178.300000111S485S485-G487 PolarHBondContact O-N 3.32Å
488L41.1Very low44.3Very low168 Ų168126.7 Ų126.788%0.8878%0.78SS**  trans-49.9131.6168.3-70.7168.8000108.5G490L488-G490 PolarHBondContact O-N 3.05Å
489P48.1Very low44.4Very low122 Ų122126 Ų12679%0.79277%0.773SS**  trans-54.8112.8172.6-24.334.2000108.5L491P489-L491 PolarHBondContact O-N 2.95Å
490G42.7Very low44.5Very low68 Ų68127.3 Ų127.370%0.70177%0.773SS**  trans-56.9138.8-174.300000110.5L488 R492L488-G490 PolarHBondContact O-N 3.05Å; G490-R492 PolarHBondContact O-N 2.89Å
491L39.5Very low44.9Very low179 Ų179127 Ų12794%0.93777%0.772SS**  trans-50118.8168.6-80.2167.7000107.8P489 G493P489-L491 PolarHBondContact O-N 2.95Å; L491-G493 PolarHBondContact O-N 2.93Å
492R41.5Very low45Very low232 Ų232126.8 Ų126.888%0.87577%0.769SS**  trans-63.299.8-178.4179.4-176.4-179.9-176.80.5107.6G490G490-R492 PolarHBondContact O-N 2.89Å
493G49.1Very low44.9Very low49 Ų49122.7 Ų122.751%0.50577%0.769SS.*PPolyproline II helixtrans-52.9148.917700000110.7L491L491-G493 PolarHBondContact O-N 2.93Å
494P49Very low44.9Very low121 Ų121121.5 Ų121.579%0.78677%0.766SS**PPolyproline II helixtrans-53.3137171.825-33.7000108.3G496P494-G496 PolarHBondContact O-N 3.24Å; P494-G496 VanDerWaalsContact O-N 3.1Å
495P47.2Very low45.3Very low112 Ų112121 Ų12173%0.72776%0.762SS**PPolyproline II helixtrans-51124173.7-25.734.6000109
496G47.2Very low45.2Very low62 Ų62122 Ų12264%0.63977%0.765SS**PPolyproline II helixtrans-56.5144.7179.300000110P494 E498P494-G496 PolarHBondContact O-N 3.24Å; P494-G496 VanDerWaalsContact O-N 3.1Å; G496-E498 PolarHBondContact O-N 2.82Å
497P47.1Very low45.1Very low129 Ų129113.7 Ų113.784%0.83876%0.756SS**PPolyproline II helixtrans-55127.6175.424.6-33.5000108.7G499P497-G499 PolarHBondContact O-N 2.85Å; P497-G499 VanDerWaalsContact O-N 3.08Å
498E44.1Very low45Very low187 Ų187114.3 Ų114.387%0.87476%0.763SS**PPolyproline II helixtrans-56.5118.1-180-172.2170.6-164.200108.5G496G496-E498 PolarHBondContact O-N 2.82Å
499G49.2Very low44.6Very low53 Ų53111.5 Ų111.555%0.54676%0.764SS.*PPolyproline II helixtrans-58.4135.7-173.100000110.2P497 P501P497-G499 PolarHBondContact O-N 2.85Å; P497-G499 VanDerWaalsContact O-N 3.08Å; G499-P501 WeakPolarHBondContact O-CD 3.42Å; G499-P501 VanDerWaalsContact O-N 3.15Å
500P46.1Very low44.2Very low122 Ų122111.7 Ų111.779%0.79277%0.765SS**PPolyproline II helixtrans-55.3124.6-176.722.4-33.2000109.4G502P500-G502 PolarHBondContact O-N 3.24Å; P500-G502 VanDerWaalsContact O-N 3.15Å
501P54.5Low44Very low123 Ų123112.4 Ų112.480%0.79977%0.772SS**PPolyproline II helixtrans-50.9124.5-178.5-30.936.4000110.9G499 A503G499-P501 WeakPolarHBondContact O-CD 3.42Å; G499-P501 VanDerWaalsContact O-N 3.15Å; P501-A503 PolarHBondContact O-N 3.36Å
502G47Very low44.1Very low64 Ų64111.9 Ų111.966%0.6677%0.768SS**PPolyproline II helixtrans-53.9139-170.200000111.9P500 I504P500-G502 PolarHBondContact O-N 3.24Å; P500-G502 VanDerWaalsContact O-N 3.15Å; G502-I504 PolarHBondContact O-N 3.02Å
503A39.2Very low43.9Very low107 Ų107108 Ų10888%0.88477%0.771SS**  trans-58.497.4-173.300000111.9P501 G505P501-A503 PolarHBondContact O-N 3.36Å; A503-G505 PolarHBondContact O-N 3.01Å; A503-G505 VanDerWaalsContact O-N 3.09Å
504I43.1Very low43.5Very low168 Ų168108.7 Ų108.786%0.86278%0.777SS**  trans-62113.6172-63.6174.7000106.8G502G502-I504 PolarHBondContact O-N 3.02Å
505G48.4Very low43.5Very low52 Ų52108.7 Ų108.754%0.53678%0.777SS.*  trans-59.9155-177.300000112.1A503 G507A503-G505 PolarHBondContact O-N 3.01Å; A503-G505 VanDerWaalsContact O-N 3.09Å; G505-G507 VanDerWaalsContact C-N 3.26Å; G505-G507 PolarHBondContact O-N 3.43Å
506P39.5Very low43.1Very low141 Ų141110 Ų11092%0.91678%0.783SS**  trans-69.579.6-177.828.9-35.5000111.8G508P506-G508 PolarHBondContact O-N 3.06Å
507G40.5Very low42.8Very low72 Ų72110 Ų11074%0.74278%0.782SS**PPolyproline II helixtrans-60125.5167.400000109.7G505G505-G507 VanDerWaalsContact C-N 3.26Å; G505-G507 PolarHBondContact O-N 3.43Å
508G40.3Very low42.2Very low70 Ų70111.6 Ų111.672%0.72278%0.779SS**PPolyproline II helixtrans-60.9150.9-162.100000115.2P506 P510P506-G508 PolarHBondContact O-N 3.06Å; G508-P510 VanDerWaalsContact O-CD 3.3Å; G508-P510 WeakPolarHBondContact O-CD 3.4Å
509A33.3Very low41.9Very low109 Ų109108.1 Ų108.190%0.90176%0.761SS**PPolyproline II helixtrans-80.3132.1173.500000112
510P40.1Very low41.5Very low126 Ų126108.6 Ų108.682%0.81877%0.766SS**  trans-133.6134.7148.736.2-23.6000113.2G508G508-P510 VanDerWaalsContact O-CD 3.3Å; G508-P510 WeakPolarHBondContact O-CD 3.4Å
511G38.3Very low41Very low82 Ų82106 Ų10685%0.84575%0.754SS**  trans105.198.9157.800000117
512I41.7Very low40.4Very low169 Ų169105.9 Ų105.987%0.86774%0.743SS**  trans-116.2130.1158.750.8163.4000110.5
513T36.3Very low40.1Very low151 Ų151106 Ų10693%0.92674%0.744SS**  trans175139.2161.2-74.10000105.9
514G41.3Very low39.9Very low62 Ų62106.1 Ų106.164%0.63973%0.73SS**  cis-163.8-174.19.700000112.7
515P48.2Very low39.8Very low122 Ų122106.5 Ų106.579%0.79273%0.732SS**  -138.4-171.3-12734-12.2000117.6
516V39.9Very low39.6Very low139 Ų139107 Ų10784%0.84274%0.737SS**  trans81.7138.8164.1-168.80000116.5
517G40Very low39.6Very low61 Ų61106.7 Ų106.763%0.62974%0.735SS**  cis152.5169.3-11.200000115.3
518E36Very low39.4Very low164 Ų164109 Ų10977%0.76674%0.74SS**  trans63.2154150.4-67.5-106.8107.200120.5
519K37.5Very low39.4Very low114 Ų114108.9 Ų108.950%0.49674%0.739SS.*  cis-177.6146.7-13.9158.7178160.9-760113.5
520G39.6Very low39.5Very low63 Ų63112.9 Ų112.965%0.64974%0.744SS**  trans106.1164.5140.800000119.1
521A36.2Very low39.3Very low66 Ų66116.6 Ų116.655%0.54575%0.747SS.*  cis-170151.7-15.400000112.7
522Q41.5Very low40Very low121 Ų121115.4 Ų115.457%0.56574%0.735SS**  trans57.8143.2138.1-160.1169.1500120.1D524Q522-D524 VanDerWaalsContact CG-OD2 3.23Å; Q522-D524 WeakPolarHBondContact CG-OD2 3.3Å; Q522-D524 PolarHBondContact NE2-OD2 2.97Å
523G42Very low39.8Very low66 Ų66113.7 Ų113.768%0.6874%0.735SS**  cis171.7-170.8700000109.6
524D35.1Very low39.9Very low111 Ų111113.2 Ų113.259%0.59473%0.732SS**  cis-163-139.6-11.1-77.6-34.2000106.3Q522Q522-D524 VanDerWaalsContact CG-OD2 3.23Å; Q522-D524 WeakPolarHBondContact CG-OD2 3.3Å; Q522-D524 PolarHBondContact NE2-OD2 2.97Å
525I39.5Very low40.5Very low175 Ų175113.4 Ų113.490%0.89773%0.734SS**  trans81.1162.6162.8-55.4176.2000116.2
526G44.5Very low40.3Very low62 Ų62114 Ų11464%0.63974%0.738SS**  trans-165.7-166.6-178.400000112.2
527P38.9Very low40.2Very low136 Ų136117.3 Ų117.388%0.88374%0.735SS**  -143.816710639.7-26.8000116.3
528S38.2Very low40.8Very low120 Ų120117.4 Ų117.484%0.83974%0.736SS**  trans-78.9170.4171.9-46.30000112.2
529G38.7Very low41.1Very low68 Ų68113.8 Ų113.870%0.70173%0.729SS**  cis113.1135.97.800000112.6
530L35.9Very low41.3Very low193 Ų193115.1 Ų115.1100%1.0175%0.746SS**  trans-140.8168.1177.4-82.8-177000113.4
531K36.5Very low41.4Very low203 Ų203114.7 Ų114.788%0.88374%0.742SS**  trans-145.4149.2-157.3-177.2180178.3-179.90112.1
532G51.9Low41.5Very low58 Ų58119.4 Ų119.460%0.59876%0.758SS**  trans-87.5-179.6179.700000116.4
533P38.1Very low41.3Very low132 Ų132119.4 Ų119.486%0.85777%0.771SS**  trans-96.3176.3-177.437.8-34.4000114.9
534T39.3Very low41.2Very low142 Ų142119.9 Ų119.987%0.87178%0.776SS**  trans-161.7150.4-165.7-57.80000114.7
535G53.1Low41.3Very low65 Ų65124 Ų12467%0.6779%0.792SS**  trans83.3179.2157.800000116.4
536P43.1Very low41.9Very low135 Ų135121.3 Ų121.388%0.87779%0.786SS**  cis-120.3-159.48.744.3-31000112.6
537R39.5Very low41.5Very low209 Ų209121.7 Ų121.779%0.78979%0.79SS**  cis-164.2156-45.8164.3177.2161-166.6-12.6108.7S539R537-S539 PolarHBondContact NH2-OG 3.34Å
538G51.4Low41.9Very low63 Ų63121 Ų12165%0.64979%0.785SS**  trans-128.8-176.7160.100000114.8
539S43.6Very low41.9Very low87 Ų87122.1 Ų122.161%0.60879%0.787SS**  trans167.3165.1173.4450000110.9R537R537-S539 PolarHBondContact NH2-OG 3.34Å
540V41.6Very low41.9Very low142 Ų142122.3 Ų122.386%0.86179%0.789SS**  cis-176157.3-13.2142.70000105.7
541G40.9Very low42.1Very low54 Ų54122.3 Ų122.356%0.55778%0.784SS**  cis139.4137.3-5.700000114.5
542N38.3Very low42.8Very low165 Ų165118.6 Ų118.688%0.88278%0.781SS**  trans74.1158.9156.3-61.6-0.3000119.8
543S36.6Very low42.1Very low121 Ų121119.4 Ų119.485%0.84679%0.789SS**  cis-171.1164.8-11.344.80000113.1
544G40.3Very low42.6Very low76 Ų76119.3 Ų119.378%0.78479%0.788SS**  trans-165.2156.316800000112.9
545Q36.6Very low42.4Very low197 Ų197122.8 Ų122.892%0.92179%0.791SS**  trans-149.1-174.6-162.5-124.3-160.8-500115.4
546P52.8Low41.8Very low119 Ų119122.8 Ų122.877%0.77379%0.791SS**  -130.3-167.3-123.344.7-25.3000116.8
547G36.8Very low42Very low70 Ų70122.7 Ų122.772%0.72279%0.79SS**  trans-153.9157.1164.600000113.2
548P46.6Very low41.8Very low121 Ų121121.1 Ų121.179%0.78680%0.797SS**  trans-133.9-179.8-153.441.6-24000118.6
549T37.5Very low41.5Very low145 Ų145121.8 Ų121.889%0.8980%0.804SS**  trans95.5126.1154.7-51.20000118.8
550G39.9Very low41.3Very low72 Ų72122.6 Ų122.674%0.74281%0.809SS**  trans160.285.7167.700000114.7
551E39.1Very low41.4Very low192 Ų192124.1 Ų124.190%0.89781%0.811SS**  trans-96.2-178.4168.2-52.8-168.9132.600111.2
552P51.6Low41.5Very low126 Ų126124.9 Ų124.982%0.81882%0.818SS**  -129167.6-83.838.4-21.9000113.6
553G36.6Very low42Very low74 Ų74129.3 Ų129.376%0.76382%0.823SS**  trans170.1146168.200000115.7
554P48.8Very low42.6Very low131 Ų131129.6 Ų129.685%0.85182%0.822SS**  trans-117143.7-16439.9-30.2000117.4
555K35.3Very low42.7Very low215 Ų215129.4 Ų129.494%0.93582%0.82SS**  trans-179.8150151.7-104.7172.8-179.1178.90107
556G40.3Very low43.1Very low65 Ų65129.2 Ų129.267%0.6782%0.821SS**  cis-166.8173.1-5.900000108.6
557P47.4Very low42.7Very low132 Ų132129.8 Ų129.886%0.85783%0.825SS**  trans-85.3145-168.233.3-35.7000114.3
558L36.4Very low42.9Very low177 Ų177130.1 Ų130.193%0.92783%0.828SS**  167.1139.7122.1-170.965.6000110.2
559G44.8Very low42.6Very low77 Ų77129.4 Ų129.479%0.79483%0.833SS**  trans163.289.8175.100000113.2
560S38.6Very low42.5Very low103 Ų103127.8 Ų127.872%0.7283%0.834SS**  trans-104.3177.9176.256.10000111.8
561I43.4Very low42.6Very low175 Ų175128 Ų12890%0.89784%0.836SS**  trans80.5124.6-177.2-49.4166.4000112.9
562G42.9Very low42.6Very low69 Ų69126.1 Ų126.171%0.71183%0.831SS**  cis-172.9169.3-300000113.7
563R50.6Low42.1Very low258 Ų258126.2 Ų126.297%0.97483%0.832SS**  trans-95.8133.1174.9-76.8-175.5173.3-170.2-0.7111.7
564P49.4Very low42.3Very low128 Ų128126.2 Ų126.283%0.83183%0.831SS**  trans-135.8149.6134.934.7-22000111.6
565G42.2Very low41.9Very low72 Ų72125.8 Ų125.874%0.74283%0.828SS**  cis-176.5158.7-6.200000109.6
566M45Very low42.1Very low193 Ų193124.9 Ų124.995%0.95183%0.827SS**  trans-97.2134.7179.1-69.8176.967.100112.1
567P44.6Very low42Very low130 Ų130125 Ų12584%0.84483%0.828SS**  -139.8158.312936.6-24000111.9
568G41.1Very low41.6Very low77 Ų77124.8 Ų124.879%0.79483%0.827SS**  cis-169.1178.8-2.600000109.1
569A39.5Very low41.6Very low107 Ų107125.8 Ų125.888%0.88483%0.827SS**  trans-134.5142-170.600000114.6
570A35.5Very low41.3Very low111 Ų111126 Ų12692%0.91783%0.829SS**  trans152.4142.5145.400000111.9
571G40.7Very low41.3Very low76 Ų76124.7 Ų124.778%0.78483%0.831SS**  trans155.887.7170.200000116.8
572I39.5Very low41.2Very low152 Ų152125.3 Ų125.378%0.77983%0.831SS**  trans-145.2134.9170.1-51.2176.2000104
573P42.6Very low41.1Very low129 Ų129125.7 Ų125.784%0.83884%0.835SS**  -149-174.850.541.5-20000117.7
574G40.7Very low40.2Very low73 Ų73120.5 Ų120.575%0.75383%0.825SS**  trans160.3110.6164.200000114.9
575P39.9Very low39.6Very low122 Ų122126.8 Ų126.879%0.79283%0.832SS**  trans-108.5142.8-168.237.8-33000117.9
576H38.7Very low39.5Very low196 Ų196126.8 Ų126.891%0.90783%0.832SS**  trans46.9127.4150.2-94.494.1000123.8
577G38.9Very low39Very low67 Ų67125.8 Ų125.869%0.69183%0.83SS**  trans-158.5153.8158.200000110.6
578P39.4Very low39.1Very low128 Ų128125.8 Ų125.883%0.83183%0.83SS**  trans-121.6-175.1-151.743.2-32.7000117.3
579Q34.6Very low39.2Very low199 Ų199125.8 Ų125.893%0.9383%0.83SS**  trans89.4131.7160.4-167174.4-1000118.8
580G39.8Very low39Very low81 Ų81126.2 Ų126.284%0.83583%0.827SS**  trans167.388169.300000113.7
581G38.3Very low39Very low75 Ų75127.5 Ų127.577%0.77382%0.823SS**  trans-175.299.5175.200000116.3
582Q40.5Very low39.1Very low189 Ų189127.4 Ų127.488%0.88382%0.822SS**  trans-169.3152.1146.6-113.6-175.714.600111.4
583G40.9Very low39Very low77 Ų77129 Ų12979%0.79482%0.823SS**  trans175.3103.3174.900000110.8
584L32.8Very low38.6Very low148 Ų148129.5 Ų129.578%0.77582%0.824SS**  trans-125.6127.9-166-71.5165.1000112.9
585R36.9Very low38.6Very low261 Ų261128.9 Ų128.999%0.98582%0.817SS**  trans169147.4147.8-99.4168.6173.2-166.9-3110
586G39.6Very low38.2Very low72 Ų72130.1 Ų130.174%0.74282%0.817SS**  cis-177.1156.2-6.100000112.7
587L34.6Very low38.5Very low171 Ų171126.9 Ų126.990%0.89581%0.814SS**  trans-95.9-175.2169.8-64.7165.9000109.5
588P46.5Very low38.3Very low130 Ų130127.6 Ų127.684%0.84482%0.821SS**  cis-129.9-173.3-18.822.12.4000113.1
589G43.8Very low38.3Very low78 Ų78126.2 Ų126.280%0.80482%0.821SS**  trans172.8128.8159.600000112.8
590S34.7Very low38.3Very low115 Ų115124 Ų12480%0.80482%0.82SS**  trans-147.2155.7-16759.10000116.7
591V35.8Very low38.3Very low138 Ų138123.6 Ų123.684%0.83682%0.816SS**  trans76.5128.1168-167.70000117.5
592G42.7Very low38.3Very low74 Ų74126.2 Ų126.276%0.76382%0.823SS**  trans-166.43.5-177.100000121.6
593K36.3Very low38.3Very low186 Ų186127.4 Ų127.481%0.80983%0.825SS**  trans49109.5164.1-61.9-176.5178.8-179.60122.1
594T35.1Very low38.2Very low139 Ų139126.8 Ų126.885%0.85382%0.819SS**  56131.9124.4-440000123.9
595G39.7Very low38.7Very low60 Ų60125.7 Ų125.762%0.61982%0.82SS**  trans135.984.4156.600000114.8
596D32.1Very low38.7Very low148 Ų148124 Ų12479%0.79181%0.814SS**  83.8162.684.9-67.8-40.8000114.1
597P45.8Very low38.6Very low128 Ų128123.8 Ų123.883%0.83181%0.812SS**  -133.3168.2-64.639.6-24.3000114.4
598G34.4Very low39Very low82 Ų82122.1 Ų122.185%0.84580%0.804SS**  trans162.4151.9167.800000115.7
599A39.9Very low38.6Very low100 Ų100125.9 Ų125.983%0.82680%0.801SS**  trans-149.2157.5-176.500000113.3
600V34.3Very low38.6Very low152 Ų152125 Ų12592%0.92179%0.792SS**  trans170.6138.8141146.40000112.4
601G40.6Very low38.8Very low72 Ų72125.6 Ų125.674%0.74279%0.793SS**  trans84.8157.5153.200000118.3
602S37.5Very low39.1Very low131 Ų131127.1 Ų127.192%0.91678%0.784SS**  cis-156.3178.4-17.667.30000111.7
603K40.9Very low38.7Very low213 Ų213126.3 Ų126.393%0.92678%0.776SS**  trans-95.9135-158168.9-171.7175-177.10115.1
604G39.1Very low38.4Very low64 Ų64124.5 Ų124.566%0.6677%0.77SS**  trans149168.5146.400000115.9
605P42.5Very low38.7Very low125 Ų125123.8 Ų123.881%0.81277%0.768SS**  cis-135.1169.8-1542.9-27.4000115.1
606R37.7Very low38.6Very low226 Ų226124.2 Ų124.285%0.85377%0.772SS**  trans24.1119.4133.6-171.5179.1-174.6165.70.5118.1
607G36.7Very low39.2Very low68 Ų68121.8 Ų121.870%0.70177%0.773SS**  115.4160.586.400000109
608D42.4Very low39.2Very low135 Ų135121.7 Ų121.772%0.72277%0.772SS**  cis-137.3136.31.8-73.2-47.6000107.7
609R38.3Very low39.8Very low209 Ų209120.2 Ų120.279%0.78976%0.757SS**  58.5102.983.1-165.3-172.3-172.3-174.13.8116
610G44.3Very low40Very low59 Ų59121.2 Ų121.261%0.60876%0.755SS**  trans118.9154.8133.300000115.3
611P39.6Very low40.1Very low129 Ų129121.8 Ų121.884%0.83875%0.745SS**  cis-71.6152.15.926.3-33.5000114.5
612R40.8Very low40.3Very low169 Ų169121.4 Ų121.464%0.63874%0.742SS**  cis59.789.317.3-167.3180-167.9-154.8-0.2113.3E614R612-E614 IonicContact CZ-OE2 3.15Å; R612-E614 IonicContact NE-OE2 2.74Å; R612-E614 PolarHBondContact NE-OE2 2.93Å; R612-E614 IonicContact NH2-OE2 2.7Å; R612-E614 PolarHBondContact NH2-OE2 2.86Å
613G35.6Very low40.4Very low57 Ų57121.4 Ų121.459%0.58874%0.738SS**  cis76.8148.532.100000110.4
614E29.5Very low40.3Very low148 Ų148116.6 Ų116.669%0.69273%0.731SS**  trans67.4165.3-160-43.6169.2112.600112.7R612R612-E614 IonicContact CZ-OE2 3.15Å; R612-E614 IonicContact NE-OE2 2.74Å; R612-E614 PolarHBondContact NE-OE2 2.93Å; R612-E614 IonicContact NH2-OE2 2.7Å; R612-E614 PolarHBondContact NH2-OE2 2.86Å
615P40.2Very low40.5Very low125 Ų125117.1 Ų117.181%0.81274%0.737SS**  cis-118.8150.6-19.714.87.8000112.8
616G38.5Very low40Very low68 Ų68119.6 Ų119.670%0.70174%0.737SS**  trans-103.2-169.1160.400000111.6
617A44.9Very low39.9Very low98 Ų98117.8 Ų117.881%0.8174%0.736SS**  trans68.9154.6-178.100000113.2
618P44.7Very low40.2Very low126 Ų126118.5 Ų118.582%0.81874%0.743SS**  -123.3142.851.235.5-22.7000115.2
619G47.4Very low39.8Very low51 Ų51120.5 Ų120.553%0.52675%0.748SS.*  trans-94.7143.2141.500000109.1
620P45.3Very low39.6Very low121 Ų121121.1 Ų121.179%0.78675%0.75SS**  trans-72.5131.5157.132.4-31000108
621F36.5Very low39.5Very low164 Ų164122.2 Ų122.272%0.71976%0.761SS**  56.8126.561.8-74.3-92.3000112.8P833F621-P833 HydrophobicContact CD2-CG 4.38Å; F621-P833 HydrophobicContact CE2-CG 4.04Å; F621-P833 HydrophobicContact CZ-CG 4.23Å
622G44.4Very low39.3Very low64 Ų64124.1 Ų124.166%0.6676%0.759SS**  cis-165.1-127.14.400000114.2
623P39Very low38.9Very low130 Ų130122.2 Ų122.284%0.84477%0.772SS**  -116.9177.4-90.538.4-35.3000114.5
624S39.3Very low39.3Very low112 Ų112123.2 Ų123.278%0.78378%0.782SS**  trans-62.9149.5176.6-171.40000113.4
625G42.7Very low39.7Very low75 Ų75126.3 Ų126.377%0.77379%0.793SS**  trans-133.6123.8163.500000109.5
626E32.3Very low39.6Very low177 Ų177132.3 Ų132.383%0.82780%0.8SS**  trans-88.6143.8-171.2-69.5-168.396.500114.5
627K35.2Very low39.6Very low189 Ų189132.1 Ų132.182%0.82280%0.798SS**  trans39.9100.5133.5-167.1-175.2-175.7179.70118.3
628G43.4Very low39.7Very low82 Ų82133.6 Ų133.685%0.84580%0.799SS**  trans-127.7117.6155.300000111.1
629Q35Very low39.2Very low178 Ų178137 Ų13783%0.83281%0.807SS**  trans-98.1148174.6-92.7-166.5-1.900112.2
630R33.2Very low38.9Very low222 Ų222138 Ų13884%0.83882%0.817SS**  trans65.598.7159.1-171.6-177.6-72.1-157.7-2.9117.2
631G41.7Very low38.4Very low81 Ų81137.3 Ų137.384%0.83582%0.821SS**  trans-117.9132.6136.300000108.9
632Q36Very low38.6Very low169 Ų169139.2 Ų139.279%0.7983%0.832SS**  trans-119.5168.4171.7-90.9-169.2-10.600110
633S32.6Very low38.9Very low129 Ų129139.6 Ų139.690%0.90284%0.836SS**  trans77.4147.7-179.579.80000115.4
634G42.8Very low39.2Very low79 Ų79145.4 Ų145.481%0.81484%0.841SS**  cis-142.5166.2500000114.6
635K38.9Very low39.1Very low212 Ų212146.1 Ų146.192%0.92284%0.841SS**  trans-113.4131.2172-67-177.8177.6-176.80110.5
636R37.7Very low39.5Very low252 Ų252145.5 Ų145.595%0.95183%0.834SS**  trans177.5148.5150.1-165.9162.4-72.4-1212.3107.9
637G38.2Very low40Very low64 Ų64143.5 Ų143.566%0.6684%0.837SS**  cis-152.9-171.62.400000113.4
638P47.2Very low40.4Very low129 Ų129141.1 Ų141.184%0.83883%0.828SS**  trans-117.5-168.8-159.243.5-34.3000115.5
639M35.3Very low40.9Very low198 Ų198141.3 Ų141.398%0.97583%0.83SS**  trans84.8142177.1-160.6175.772.700114.1
640G39.8Very low41Very low72 Ų72136 Ų13674%0.74281%0.813SS**  cis-141.8-166.6-0.300000112.2
641A35.2Very low41.7Very low105 Ų105129.7 Ų129.787%0.86880%0.8SS**  trans-106.7-179.8-161.500000116.4
642E40.6Very low41.5Very low204 Ų204130 Ų13095%0.95380%0.804SS**  trans97.6123157.1-159159.9-138.800118.1
643G51.4Low41.8Very low72 Ų72127 Ų12774%0.74280%0.798SS**SBendtrans164.630.4-177.100000120.2
644R44.7Very low42.6Very low253 Ų253126.1 Ų126.196%0.95579%0.788SS**  trans55.3111.1173.1-65.6-174.3174.8-167.6-2.8117.7
645V38Very low42.5Very low127 Ų127126.1 Ų126.177%0.7779%0.788SS**  trans-72.8138.5179.4178.90000112.9E648V645-E648 HydrophobicContact CG1-CB 4.09Å
646G51.3Low42.5Very low62 Ų62125.2 Ų125.264%0.63978%0.784SS**  trans167.1152158.800000113.2
647P41.9Very low42.7Very low135 Ų135119.4 Ų119.488%0.87778%0.779SS**  cis-93.5115.9-11.433.9-25.5000110.5G649P647-G649 PolarHBondContact O-N 3.49Å
648E44.7Very low43.1Very low139 Ų139119.7 Ų119.765%0.6578%0.782SS**  trans-89.2102.3-179.2-159.4-177.9155.700111.8V645 S650V645-E648 HydrophobicContact CG1-CB 4.09Å; E648-S650 WeakPolarHBondContact CG-OG 3.35Å; E648-S650 PolarHBondContact O-N 2.75Å; E648-S650 VanDerWaalsContact OE1-CB 3.3Å; E648-S650 WeakPolarHBondContact OE1-CB 3.43Å; E648-S650 PolarHBondContact OE1-OG 3.46Å
649G53.9Low42.6Very low86 Ų86121.2 Ų121.289%0.88778%0.783SS**  trans-84.992.2163.200000110.2P647P647-G649 PolarHBondContact O-N 3.49Å
650S36.9Very low43.3Very low67 Ų67118 Ų11847%0.46978%0.777SS.*  trans-151.7176.4-178.878.40000110.7E648E648-S650 WeakPolarHBondContact CG-OG 3.35Å; E648-S650 PolarHBondContact O-N 2.75Å; E648-S650 VanDerWaalsContact OE1-CB 3.3Å; E648-S650 WeakPolarHBondContact OE1-CB 3.43Å; E648-S650 PolarHBondContact OE1-OG 3.46Å
651P47.7Very low43.3Very low88 Ų88117.9 Ų117.957%0.57178%0.777SS**  -135.3172-86.638.7-21.7000114.3T653P651-T653 HydrophobicContact CG-CG2 3.78Å; P651-T653 PolarHBondContact O-N 2.75Å
652G37.4Very low43.5Very low88 Ų88119.4 Ų119.491%0.90778%0.778SS**  trans-71.666.1158.200000111.9
653T41.8Very low43.9Very low107 Ų107115 Ų11566%0.65678%0.775SS**PPolyproline II helixtrans-69.5148.4178.512.40000112.5P651P651-T653 HydrophobicContact CG-CG2 3.78Å; P651-T653 PolarHBondContact O-N 2.75Å
654P49.6Very low43.2Very low109 Ų109115 Ų11571%0.70878%0.776SS**PPolyproline II helixtrans-75.9145.9-165.4-16.632000114.6K656P654-K656 PolarHBondContact O-N 2.74Å
655G40.9Very low42.9Very low79 Ų79112.1 Ų112.181%0.81477%0.773SS**PPolyproline II helixtrans-61.6123.815700000110
656K38.7Very low43.4Very low193 Ų193111.9 Ų111.984%0.83977%0.774SS**PPolyproline II helixtrans-76.7153.6173.4-65.2175.2-177.6172.20109.9P654P654-K656 PolarHBondContact O-N 2.74Å
657P41.6Very low43Very low130 Ų130111.9 Ų111.984%0.84478%0.775SS**PPolyproline II helixtrans-56.4142.5166.8-21.933.5000111.3
658G45.6Very low43Very low70 Ų70114.7 Ų114.772%0.72278%0.776SS**  trans-125138.4166.600000109.1
659D38.5Very low42.6Very low161 Ų161115.8 Ų115.886%0.86178%0.784SS**  trans-76.8158.7-170.4-67.4-65.9000113.8
660P49.5Very low42.3Very low130 Ų130114.6 Ų114.684%0.84477%0.772SS**  trans-100.7162.1-151.2-3.124.2000116.9
661G40.3Very low42.9Very low71 Ų71117.2 Ų117.273%0.73279%0.787SS**  trans141.8158156.800000114.1
662P38.7Very low43.4Very low137 Ų137118.7 Ų118.789%0.8980%0.797SS**  cis-103.2-163.2-4.241-32.9000112.4
663A47.9Very low44Very low110 Ų110117.5 Ų117.591%0.90979%0.785SS**  trans-125.1156.4179.200000112.9
664G37.2Very low44.5Very low73 Ų73118.3 Ų118.375%0.75379%0.792SS**  trans136.5136.7177.500000111.2
665E38.1Very low44.5Very low193 Ų193118.9 Ų118.990%0.90280%0.796SS**  cis-139.7168.4-3.9-86.7-159.7118.600110.8
666P49.1Very low44.3Very low121 Ų121119 Ų11979%0.78680%0.797SS**  trans-101.8154.9-163.515.92.8000115.9
667G42.8Very low44.5Very low63 Ų63119.3 Ų119.365%0.64980%0.801SS**  trans175.6138.5163.400000111.7
668H42.9Very low44.2Very low193 Ų193125.2 Ų125.289%0.89481%0.807SS**  cis-137.2157.7-11.8-87-86.2000109.9
669I35.7Very low43.9Very low163 Ų163125.5 Ų125.584%0.83681%0.809SS**PPolyproline II helixtrans-81.2121.1-176.3-59.6172.9000110.9
670G48.2Very low44.1Very low61 Ų61122.3 Ų122.363%0.62981%0.806SS**PPolyproline II helixtrans-93136.9153.100000109.7
671P49.5Very low44Very low121 Ų121122.4 Ų122.479%0.78681%0.806SS**PPolyproline II helixtrans-74.4132.2-170.628.5-34.4000112.7G673P671-G673 PolarHBondContact O-N 3.03Å
672P56.9Low44.2Very low119 Ų119122.8 Ų122.877%0.77381%0.81SS**PPolyproline II helixtrans-62.7131.1163.4-19.832.7000110.7
673G49.6Very low44.5Very low64 Ų64125.9 Ų125.966%0.6681%0.813SS**PPolyproline II helixtrans-64.6132168.500000110.2P671 P675P671-G673 PolarHBondContact O-N 3.03Å; G673-P675 WeakPolarHBondContact O-CD 3.29Å
674P54.1Low44.1Very low124 Ų124129.7 Ų129.781%0.80581%0.814SS**PPolyproline II helixtrans-71.1124.9-168.226.3-34.4000112.8
675P47.9Very low44.7Very low121 Ų121129 Ų12979%0.78681%0.807SS**PPolyproline II helixtrans-61.6141160.3-18.733.3000110.1G673G673-P675 WeakPolarHBondContact O-CD 3.29Å
676G38.7Very low45.7Very low82 Ų82125.8 Ų125.885%0.84580%0.803SS**PPolyproline II helixtrans-70.1131.9-169.300000114.8
677E41.9Very low46Very low198 Ų198126.1 Ų126.193%0.92581%0.805SS**PPolyproline II helixtrans-84.3140173.1-65.7-165.9131.800112.6
678R36.3Very low46.2Very low255 Ų255126.3 Ų126.396%0.96281%0.806SS**  trans-122.6100.2164.8178.5-172.7-77.5-163.4-3.2109.2
679G38.5Very low47.1Very low75 Ų75123.1 Ų123.177%0.77380%0.803SS**  trans179.3155172.800000110.8
680A41.6Very low48.2Very low95 Ų95121.5 Ų121.579%0.78580%0.803SS**  cis-137.21562.800000111.6
681P48.3Very low47.9Very low132 Ų132122.5 Ų122.586%0.85781%0.814SS**  trans-72.7136174.2-15.430.9000113.2
682G45.2Very low48.1Very low78 Ų78128.5 Ų128.580%0.80482%0.821SS**  trans28.5115.9156.200000121.2
683Q43.9Very low47.5Very low203 Ų203127.9 Ų127.995%0.94983%0.826SS**PPolyproline II helixtrans-81.8140153.7-68.3-173.16.700110.8
684M40.6Very low47.2Very low190 Ų190128.1 Ų128.194%0.93683%0.828SS**PPolyproline II helixtrans-85.5133.5174.7-175.916355.900110.2
685G49.2Very low46.7Very low59 Ų59130.5 Ų130.561%0.60883%0.834SS**PPolyproline II helixtrans-80171.5-165.800000116.6
686P58.2Low46.2Very low125 Ų125134.8 Ų134.881%0.81284%0.84SS**PPolyproline II helixtrans-70.6138.4177.729.4-34.5000112.1
687P56.7Low46.2Very low128 Ų128134.2 Ų134.283%0.83183%0.834SS**PPolyproline II helixtrans-61.2145.4172.1-24.134.7000113.1
688G47.2Very low46.1Very low66 Ų66129.9 Ų129.968%0.6883%0.832SS**PPolyproline II helixtrans-69.6145.917900000113.5
689P61.7Low46.4Very low126 Ų126123.7 Ų123.782%0.81883%0.828SS**PPolyproline II helixtrans-67.8136.3178.127.6-34000111.6
690P57.8Low46.6Very low129 Ų129123.3 Ų123.384%0.83882%0.824SS**PPolyproline II helixtrans-62.6141178.5-24.634.6000113.6
691G42Very low46.7Very low83 Ų83125.1 Ų125.186%0.85683%0.828SS**PPolyproline II helixtrans-70.9139.2177.100000113.2
692R53.5Low46.3Very low247 Ų247125.7 Ų125.793%0.93283%0.829SS**PPolyproline II helixtrans-102.1120.1162.5-83.6-174.8168.3-174.8-3.7109.9
693A44.2Very low46.4Very low106 Ų106125.5 Ų125.588%0.87683%0.826SS**PPolyproline II helixtrans-80.5150.8151.400000108.9
694G43.2Very low46.5Very low68 Ų68127.3 Ų127.370%0.70183%0.825SS**  cis155.9120.9-7.300000110.8
695D43.7Very low46.2Very low175 Ų175126.2 Ų126.294%0.93682%0.823SS**  trans-118.2158.7-178.2-85.6-60.9000112.5
696K38.1Very low45.6Very low210 Ų210127.1 Ų127.191%0.91383%0.832SS**  trans-134.4126.7-155.9178.8-175.4176.6-176.50112.9
697G39.4Very low44.8Very low70 Ų70125.8 Ų125.872%0.72283%0.831SS**  trans103.9162.4176.200000113
698A39.7Very low43.9Very low108 Ų108129.5 Ų129.589%0.89383%0.834SS**  cis-91169.49.200000114.8
699S41.9Very low43.7Very low124 Ų124128 Ų12887%0.86782%0.819SS**  trans-131.4143.5174.4-54.30000110.4
700G42.2Very low42.7Very low68 Ų68125.7 Ų125.770%0.70180%0.8SS**  trans139.8157.9165.100000114.3
701P43.8Very low41.8Very low132 Ų132125.9 Ų125.986%0.85778%0.784SS**  cis-91.8158.7-2.136.1-33.7000113.6
702V41Very low41.7Very low145 Ų145125 Ų12588%0.87977%0.774SS**  trans-86.3137.7167.5170.70000109.6
703G46.9Very low41.2Very low73 Ų73120.7 Ų120.775%0.75377%0.765SS**  trans-121.729.2-161.800000118.2
704R46.3Very low40.9Very low242 Ų242125.5 Ų125.591%0.91377%0.766SS**  trans67.9142.3172.7-74.1-176161.7178.6-5.2119.7
705D34Very low40.6Very low166 Ų166125 Ų12589%0.88876%0.761SS**  trans-89158.7170.7-52.4-87.1000113.7
706G36.1Very low40.3Very low78 Ų78124 Ų12480%0.80476%0.755SS**  trans93.1150.9160.500000115.8
707A41.1Very low40.4Very low97 Ų97122.7 Ų122.780%0.80276%0.755SS**  cis-95.71571.400000112
708K39.1Very low40.2Very low206 Ų206122.3 Ų122.390%0.89675%0.751SS**  cis77.788.625-165.6-175.5175.6-178.10115.6
709G41.3Very low39.8Very low35 Ų35124.7 Ų124.736%0.36175%0.749SS.*  trans140.3138.2164.300000112.8T747G709-T747 WeakPolarHBondContact O-CG2 3.48Å
710D41.7Very low39.3Very low78 Ų78124.7 Ų124.742%0.41775%0.749SS.*  cis-154.6166.3-13-134.1-23.2000114.5G748 P749 R750D710-G748 PolarHBondContact N-O 3Å; D710-P749 HydrophobicContact CB-CB 4.24Å; D710-R750 HydrophobicContact CB-CB 4.3Å; D710-R750 VanDerWaalsContact CG-NH1 3.26Å; D710-R750 IonicContact OD1-NH1 2.74Å; D710-R750 PolarHBondContact OD1-NH1 2.81Å; D710-R750 VanDerWaalsContact OD1-NH1 3.09Å; D710-R750 VanDerWaalsContact OD2-CD 3.29Å; D710-R750 WeakPolarHBondContact OD2-CD 3.25Å; D710-R750 IonicContact OD2-CZ 3.84Å; D710-R750 IonicContact OD2-NE 2.74Å; D710-R750 IonicContact OD2-NH1 2.72Å; D710-R750 PolarHBondContact OD2-NH1 3.16Å
711R38.7Very low38.7Very low133 Ų133124.8 Ų124.850%0.50275%0.749SS.*  trans-54.7146.5166.8177.7-172.1-163.9153.8-8.9112.5R750 E752R711-R750 WeakPolarHBondContact O-CA 2.96Å; R711-E752 VanDerWaalsContact CZ-CD 3.45Å; R711-E752 IonicContact CZ-OE1 2.72Å; R711-E752 IonicContact CZ-OE2 3.13Å; R711-E752 VanDerWaalsContact CZ-OE2 3.27Å; R711-E752 IonicContact NE-OE1 3.17Å; R711-E752 PolarHBondContact NE-OE1 3.1Å; R711-E752 IonicContact NE-OE2 2.68Å; R711-E752 PolarHBondContact NE-OE2 2.95Å; R711-E752 IonicContact NH2-OE1 3.73Å; R711-E752 PolarHBondContact NH2-OE1 3.25Å; R711-E752 IonicContact NH2-OE2 2.67Å; R711-E752 PolarHBondContact NH2-OE2 2.93Å
712G40.1Very low38.1Very low63 Ų63124.7 Ų124.765%0.64975%0.747SS**  cis-152-145.88.200000111.9
713E42Very low37.6Very low157 Ų157125.1 Ų125.173%0.73475%0.749SS**  cis-131.4-154.210.2-63.5-164.2120.900113.1
714K39.4Very low36.8Very low208 Ų208124.6 Ų124.690%0.90474%0.744SS**  trans-145.4140-155.4167.7-156.8165-160.60111.7
715G36.2Very low36.1Very low57 Ų57119.5 Ų119.559%0.58874%0.739SS**  trans120.1145.317200000111.3
716D38.4Very low36.2Very low153 Ų153117.7 Ų117.782%0.81874%0.737SS**  cis-144.1144-2.6-76.4-44000107.3
717M38.8Very low36.4Very low184 Ų184117.1 Ų117.191%0.90673%0.731SS**  66.4120.266.6-177.3173.9168.500115.3
718G36.2Very low36.1Very low62 Ų62119.7 Ų119.764%0.63973%0.731SS**  trans87.3105.5170.200000113.2
719D29.8Very low36.1Very low158 Ų158116 Ų11685%0.84573%0.725SS**  68.4126.459.4-70.4-44000116
720S31.3Very low36.1Very low124 Ų124117.3 Ų117.387%0.86774%0.739SS**  trans48.6122.8148.4-56.20000120.8
721G30.5Very low35.6Very low69 Ų69121.3 Ų121.371%0.71176%0.76SS**  trans150.793152.800000117.4
722T30.4Very low35.4Very low131 Ų131121.2 Ų121.280%0.80477%0.774SS**  trans12.3133.6137.452.40000121.4
723V31.8Very low35.2Very low153 Ų153121.2 Ų121.293%0.92777%0.774SS**  trans79133.6148175.10000117.8
724G29.4Very low34.8Very low63 Ų63121.4 Ų121.465%0.64978%0.779SS**  trans118.7146.2-173.300000110.7
725V32.1Very low34.7Very low134 Ų134123 Ų12381%0.81278%0.779SS**  cis-148.8145.6-1.7-166.60000107.9G727V725-G727 PolarHBondContact O-N 2.8Å
726P36.7Very low34.8Very low128 Ų128123.1 Ų123.183%0.83178%0.78SS**  trans-60.5128.5163.8-2032.7000110.3
727G39Very low34.7Very low67 Ų67124 Ų12469%0.69178%0.779SS**  trans-106.4-174.4179.600000113.3V725V725-G727 PolarHBondContact O-N 2.8Å
728L36.1Very low35Very low151 Ų151124.7 Ų124.779%0.79177%0.772SS**  trans-174.2152.2136.9-102.2165.9000112.4
729V39.1Very low35.1Very low127 Ų127124.1 Ų124.177%0.7777%0.766SS**  trans48.789.9162.5-169.60000118.5
730G39.7Very low35.6Very low64 Ų64121.8 Ų121.866%0.6675%0.75SS**  54.2135.994.200000121.5
731N32.6Very low36.2Very low162 Ų162122.3 Ų122.387%0.86674%0.737SS**  trans-153.5154.8142.3-111.5-26.4000112.1
732T34Very low36.9Very low130 Ų130122.6 Ų122.680%0.79874%0.739SS**  trans-22140.4170.8-41.70000117.7
733G35.9Very low37.4Very low63 Ų63122.2 Ų122.265%0.64973%0.733SS**  cis163-173.9-3.500000113.8
734I33.3Very low38.1Very low162 Ų162126.1 Ų126.183%0.83173%0.73SS**  trans43.3115162.352.7166000122.2
735R37.2Very low38.5Very low242 Ų242126.5 Ų126.591%0.91374%0.735SS**  trans74.1146.1135.6-154.8170.8-169.6178.32.8117.6
736G39.1Very low39.1Very low59 Ų59125.4 Ų125.461%0.60873%0.73SS**  cis-145.3-161.74.600000114.2
737E36.5Very low39.4Very low170 Ų170125.2 Ų125.279%0.79473%0.727SS**  trans-68.6178.4-169.2-68.6105.1143.200116.8
738R43.8Very low39.5Very low200 Ų200124.1 Ų124.176%0.75572%0.716SS**  trans-121.1108.5-161.5156.7-176.7-86.8-157.1-1.4111.1V320V320-R738 WeakPolarHBondContact CA-O 3.48Å; V320-R738 HydrophobicContact CG1-CG 3.59Å
739G39.3Very low40.1Very low50 Ų50122.5 Ų122.552%0.51571%0.714SS.*  trans151.6165.2162.100000116.8V320 D321V320-G739 VanDerWaalsContact CB-CA 3.48Å; D321-G739 CarbonylContact O-C 3.07Å; D321-G739 VanDerWaalsContact O-C 3.31Å
740E39.6Very low40.2Very low108 Ų108123.8 Ų123.851%0.50571%0.705SS.*  cis-103.9175.8-3.3-126.3-175.1-146.200116.1V320 D321 G322V320-E740 HydrophobicContact CB-CG 3.89Å; V320-E740 HydrophobicContact CG2-CG 3.59Å; V320-E740 WeakPolarHBondContact O-CG 3.42Å; D321-E740 VanDerWaalsContact C-CG 3.48Å; D321-E740 WeakPolarHBondContact O-CA 3.34Å; D321-E740 WeakPolarHBondContact O-CB 3.18Å; D321-E740 PolarHBondContact O-N 2.63Å; G322-E740 WeakPolarHBondContact CA-OE1 3.36Å; G322-E740 PolarHBondContact N-OE1 2.96Å
741K44.8Very low40.4Very low136 Ų136122.1 Ų122.159%0.59169%0.688SS**  trans-97.1102.9172.2173.4-178.7169.2-730110.7D743K741-D743 VanDerWaalsContact CE-OD1 3.27Å; K741-D743 WeakPolarHBondContact CE-OD1 3.07Å; K741-D743 IonicContact NZ-OD1 3.74Å; K741-D743 PolarHBondContact NZ-OD1 2.71Å; K741-D743 IonicContact NZ-OD2 2.74Å; K741-D743 PolarHBondContact NZ-OD2 2.87Å
742G43.7Very low40.8Very low74 Ų74120.1 Ų120.176%0.76367%0.673SS**  trans-94.6131.4160.600000111.5R744G742-R744 PolarHBondContact O-N 2.83Å
743D41.2Very low41.5Very low124 Ų124119.4 Ų119.466%0.66367%0.671SS**  trans-85.7106.7-169.9-78.9-63.2000115.7K741K741-D743 VanDerWaalsContact CE-OD1 3.27Å; K741-D743 WeakPolarHBondContact CE-OD1 3.07Å; K741-D743 IonicContact NZ-OD1 3.74Å; K741-D743 PolarHBondContact NZ-OD1 2.71Å; K741-D743 IonicContact NZ-OD2 2.74Å; K741-D743 PolarHBondContact NZ-OD2 2.87Å
744R46.3Very low41.8Very low234 Ų234119.7 Ų119.788%0.88367%0.674SS**  trans57.3113.6133.4-166178.8-171.9173.23.4120.9G742G742-R744 PolarHBondContact O-N 2.83Å
745G38.8Very low42.6Very low72 Ų72117.6 Ų117.674%0.74267%0.671SS**  trans-124.3161.8152.200000112
746P43.5Very low42.8Very low110 Ų110114.3 Ų114.371%0.71467%0.67SS**  trans-128.9151.8-142.940.2-26000120.3
747T43.3Very low42.7Very low125 Ų125114.6 Ų114.677%0.76767%0.673SS**  trans79.4127.2148.2-52.10000120.4G709G709-T747 WeakPolarHBondContact O-CG2 3.48Å
748G41.7Very low43Very low44 Ų44113.2 Ų113.245%0.45468%0.676SS.*  trans-166.4-175.7-177.700000118.2D710D710-G748 PolarHBondContact N-O 3Å
749P49.7Very low43.4Very low116 Ų116109.7 Ų109.775%0.75368%0.679SS**  trans-122.3178.3-164.520.54000115.8D710D710-P749 HydrophobicContact CB-CB 4.24Å
750R41.3Very low43.3Very low155 Ų155110.9 Ų110.959%0.58569%0.691SS**  cis-172151-17.8169.4173.6-175.774.220.1112D710 R711D710-R750 HydrophobicContact CB-CB 4.3Å; D710-R750 VanDerWaalsContact CG-NH1 3.26Å; D710-R750 IonicContact OD1-NH1 2.74Å; D710-R750 PolarHBondContact OD1-NH1 2.81Å; D710-R750 VanDerWaalsContact OD1-NH1 3.09Å; D710-R750 VanDerWaalsContact OD2-CD 3.29Å; D710-R750 WeakPolarHBondContact OD2-CD 3.25Å; D710-R750 IonicContact OD2-CZ 3.84Å; D710-R750 IonicContact OD2-NE 2.74Å; D710-R750 IonicContact OD2-NH1 2.72Å; D710-R750 PolarHBondContact OD2-NH1 3.16Å; R711-R750 WeakPolarHBondContact O-CA 2.96Å
751G41.9Very low43.2Very low29 Ų29114.5 Ų114.530%0.29971%0.708SS.*  trans-98.3-178.4172.300000117.9
752E41.5Very low42.8Very low119 Ų119118.9 Ų118.956%0.55672%0.721SS**  cis-157.217635.4-90.8-176.1159.400115.3R711R711-E752 VanDerWaalsContact CZ-CD 3.45Å; R711-E752 IonicContact CZ-OE1 2.72Å; R711-E752 IonicContact CZ-OE2 3.13Å; R711-E752 VanDerWaalsContact CZ-OE2 3.27Å; R711-E752 IonicContact NE-OE1 3.17Å; R711-E752 PolarHBondContact NE-OE1 3.1Å; R711-E752 IonicContact NE-OE2 2.68Å; R711-E752 PolarHBondContact NE-OE2 2.95Å; R711-E752 IonicContact NH2-OE1 3.73Å; R711-E752 PolarHBondContact NH2-OE1 3.25Å; R711-E752 IonicContact NH2-OE2 2.67Å; R711-E752 PolarHBondContact NH2-OE2 2.93Å
753P49.5Very low42.8Very low116 Ų116118.7 Ų118.775%0.75372%0.719SS**  trans-131.2-177.5-152.645.7-33.4000120.6
754G42.4Very low42.7Very low69 Ų69117.4 Ų117.471%0.71173%0.726SS**  trans126.8171152.900000118
755P49.2Very low42.5Very low117 Ų117111.7 Ų111.776%0.7671%0.713SS**  cis-147.9-175.1-25.743.2-24.2000117.2
756I41.5Very low43.1Very low173 Ų173110.5 Ų110.589%0.88770%0.7SS**  trans78.5142.3164.1-57.7167000117
757G38.4Very low42.9Very low66 Ų66111.8 Ų111.868%0.6871%0.708SS**  cis-165.3-165.47.300000115.1
758V42Very low42.8Very low141 Ų141114.7 Ų114.786%0.85572%0.716SS**  trans-137.3-173-160.1-56.90000114.2
759P51Low42.7Very low125 Ų125115 Ų11581%0.81272%0.719SS**  cis-140.4176-12.539.2-20000118.2
760G39Very low41.8Very low75 Ų75118 Ų11877%0.77372%0.723SS**  trans154.2161.8155.800000116.2
761Q35.7Very low42.2Very low185 Ų185116.1 Ų116.186%0.86473%0.73SS**  cis-152.5-90.4-20.1-155.8-147.4116.300116.3
762R37.6Very low42Very low227 Ų227118 Ų11886%0.85775%0.75SS**  trans-165.1146.7-165.2-178.4-168-65.2-171.3-0.3111.3
763G43Very low41.8Very low71 Ų71118.2 Ų118.273%0.73276%0.761SS**  cis152142.7-7.400000112.9
764A39Very low41.6Very low97 Ų97121.2 Ų121.280%0.80277%0.765SS**  trans-166.6133.4170.200000114.7
765D43.4Very low41.6Very low114 Ų114121 Ų12161%0.6176%0.763SS**  trans-78.4171.916629.2-74.1000112.3R1107D765-R1107 VanDerWaalsContact C-CZ 3.45Å; D765-R1107 WeakPolarHBondContact O-CD 3.44Å; D765-R1107 PolarHBondContact O-NE 2.87Å; D765-R1107 VanDerWaalsContact O-NE 3.14Å; D765-R1107 PolarHBondContact O-NH1 3.48Å; D765-R1107 IonicContact OD2-CZ 2.71Å; D765-R1107 IonicContact OD2-NH1 2.71Å; D765-R1107 PolarHBondContact OD2-NH1 3.17Å; D765-R1107 IonicContact OD2-NH2 3.67Å; D765-R1107 PolarHBondContact OD2-NH2 2.83Å
766G51.6Low40.9Very low47 Ų47127.3 Ų127.349%0.48577%0.772SS.*  cis141.61562.800000111.6
767P38.7Very low41.2Very low136 Ų136123.3 Ų123.388%0.88376%0.757SS**  trans-128.7166.2162.637.8-24.5000115.6
768M40.7Very low41.2Very low186 Ų186122 Ų12292%0.91674%0.744SS**  trans-132157.1-171.4165.4-17762.700109
769G39.1Very low40.8Very low51 Ų51119 Ų11953%0.52672%0.723SS.*  cis-145.2-138.19.500000112.9
770H31.2Very low40.1Very low180 Ų180122.2 Ų122.283%0.83372%0.724SS**  cis-138.9147.628.7-44.2-88.1000113
771P50.8Low39.8Very low115 Ų115121.6 Ų121.675%0.74772%0.718SS**PPolyproline II helixtrans-91.9154.4175-4.524.6000114.8
772G36.2Very low39.8Very low69 Ų69120.4 Ų120.471%0.71172%0.716SS**PPolyproline II helixtrans-91.7168162.800000113.1
773P37.7Very low39.9Very low122 Ų122117.8 Ų117.879%0.79272%0.718SS**PPolyproline II helixtrans-82.8162.2-159.732.1-36.8000116.5
774Q45.4Very low39.5Very low179 Ų179117.9 Ų117.984%0.83672%0.718SS**  trans-104.8140.4-172.4175.5-178.5-5.100113.2
775G42.1Very low39.3Very low64 Ų64122 Ų12266%0.6673%0.725SS**  trans-81.7160.4172.800000115
776R34.7Very low39.2Very low250 Ų250127.8 Ų127.894%0.94374%0.738SS**  trans-87.8130.7-171.7-64.6-179.9177.3179.7-0.6114.1
777P47.8Very low38.4Very low89 Ų89128.6 Ų128.658%0.57875%0.747SS**  trans-75.6178.1169.8-24.739.4000116.2P800P777-P800 CarbonylContact C-O 3.59Å; P777-P800 WeakPolarHBondContact CB-O 3.22Å; P777-P800 WeakPolarHBondContact O-CG 3.08Å
778G39Very low38.3Very low39 Ų39133.7 Ų133.740%0.40275%0.75SS.*  trans-148.5146.3-178.200000113.9P800 Q801 G802G778-P800 CarbonylContact C-O 3.54Å; G778-P800 PolarHBondContact N-O 2.88Å; G778-P800 CarbonylContact O-C 3.16Å; G778-P800 VanDerWaalsContact O-C 3.28Å; G778-Q801 CarbonylContact O-C 3.55Å; G778-Q801 WeakPolarHBondContact O-CA 3.37Å; G778-Q801 PolarHBondContact O-N 2.84Å; G778-G802 WeakPolarHBondContact O-CA 3.42Å; G778-G802 PolarHBondContact O-N 2.88Å
779N34.5Very low38.4Very low78 Ų78132.4 Ų132.442%0.41774%0.742SS.*  trans-112.5145.1-158.3-141.5-21.6000117.2P800 Q801N779-P800 HydrophobicContact CB-CB 3.4Å; N779-P800 VanDerWaalsContact N-CB 3.28Å; N779-Q801 CarbonylContact C-O 3.3Å; N779-Q801 WeakPolarHBondContact CA-O 3.43Å; N779-Q801 WeakPolarHBondContact OD1-CB 3.38Å; N779-Q801 PolarHBondContact OD1-N 2.89Å; N779-Q801 VanDerWaalsContact OD1-N 3.1Å
780K34.9Very low38.2Very low192 Ų192133.1 Ų133.184%0.83575%0.749SS**  trans-149.4121.4132.6-70.1-165.2179.4170.30114.9Q801K780-Q801 PolarHBondContact N-O 3.42Å
781G33.5Very low38.2Very low62 Ų62131.4 Ų131.464%0.63975%0.746SS**  94.2128.412900000120.4
782I35.9Very low37.4Very low161 Ų161135.5 Ų135.583%0.82675%0.752SS**  trans-136.2146.8164.5-62.6-179.2000109.4
783L38Very low37.4Very low172 Ų172135.7 Ų135.790%0.90175%0.753SS**  trans-98.4120.7-177.2-97.4140.5000114
784G34.9Very low37.2Very low72 Ų72135.9 Ų135.974%0.74275%0.753SS**  trans25.4123.4149.900000123.6
785I35.6Very low37Very low183 Ų183133.3 Ų133.394%0.93875%0.752SS**  trans-130.5163.3142.7-32.9178.6000107.9
786R40.7Very low37.2Very low237 Ų237133.7 Ų133.789%0.89476%0.756SS**  trans-129.2121.6-155.5179.6-174.8-177.2176.52.6115.3
787G36.2Very low37.2Very low64 Ų64129.6 Ų129.666%0.6675%0.752SS**  trans82.8146.2164.900000115.1
788Y35.6Very low37Very low242 Ų242134 Ų13495%0.94977%0.765SS**  cis-135.6-177.16.4-83.9-92.9000112
789Q42.5Very low37.4Very low160 Ų160134.5 Ų134.575%0.74877%0.77SS**  trans-109.7150.2-151.7172.7-176.6-9.300116
790G36Very low37.5Very low65 Ų65133.4 Ų133.467%0.6777%0.767SS**  trans126.9131.4146.900000115.5
791D31Very low38Very low144 Ų144130.2 Ų130.277%0.7776%0.755SS**  cis-153.7152.9-13.9-96.9-39.1000110.7
792K33.4Very low38.5Very low202 Ų202129.9 Ų129.988%0.87875%0.751SS**  trans52.578.4163-157.9174.7-173.9175.50118.9
793G35.3Very low38.7Very low72 Ų72130 Ų13074%0.74275%0.752SS**  trans-110.8141.1138.800000108.9
794T34.1Very low39.5Very low127 Ų127127.2 Ų127.278%0.77975%0.745SS**  trans-70144.6179.643.10000111.4G796T794-G796 PolarHBondContact O-N 2.86Å
795P41.6Very low40Very low125 Ų125127.1 Ų127.181%0.81274%0.744SS**  trans-57.8138.5176.7-2333.9000111.9
796G46.3Very low40.3Very low72 Ų72125.8 Ų125.874%0.74274%0.738SS**  trans-121.4126166.100000108.7T794T794-G796 PolarHBondContact O-N 2.86Å
797D33.6Very low41Very low164 Ų164120.3 Ų120.388%0.87773%0.733SS**  trans-71129.4-168.9-58-71.1000112.9
798Q44.7Very low41.3Very low182 Ų182120.6 Ų120.685%0.8574%0.736SS**  trans-101.2113.3175.6-169.5168.8-3.700112.5
799G48.2Very low41.6Very low48 Ų48116.5 Ų116.550%0.49573%0.729SS.*  trans-68.9-175.5172.600000115.5
800P36.5Very low42Very low56 Ų56114.4 Ų114.436%0.36473%0.73SS.*  -133.7125.7-108.827.4-3.3000117.6P777 G778 N779P777-P800 CarbonylContact C-O 3.59Å; P777-P800 WeakPolarHBondContact CB-O 3.22Å; P777-P800 WeakPolarHBondContact O-CG 3.08Å; G778-P800 CarbonylContact C-O 3.54Å; G778-P800 PolarHBondContact N-O 2.88Å; G778-P800 CarbonylContact O-C 3.16Å; G778-P800 VanDerWaalsContact O-C 3.28Å; N779-P800 HydrophobicContact CB-CB 3.4Å; N779-P800 VanDerWaalsContact N-CB 3.28Å
801Q44.7Very low42.4Very low125 Ų125114.6 Ų114.658%0.58473%0.732SS**PPolyproline II helixtrans-96.4128.8-174.5176.6-168.5-18.500118.7G778 N779 K780G778-Q801 CarbonylContact O-C 3.55Å; G778-Q801 WeakPolarHBondContact O-CA 3.37Å; G778-Q801 PolarHBondContact O-N 2.84Å; N779-Q801 CarbonylContact C-O 3.3Å; N779-Q801 WeakPolarHBondContact CA-O 3.43Å; N779-Q801 WeakPolarHBondContact OD1-CB 3.38Å; N779-Q801 PolarHBondContact OD1-N 2.89Å; N779-Q801 VanDerWaalsContact OD1-N 3.1Å; K780-Q801 PolarHBondContact N-O 3.42Å
802G45Very low42.8Very low54 Ų54116.7 Ų116.756%0.55774%0.736SS**PPolyproline II helixtrans-65.4170.2-159.200000121.9G778G778-G802 WeakPolarHBondContact O-CA 3.42Å; G778-G802 PolarHBondContact O-N 2.88Å
803I38.3Very low43.6Very low163 Ų163113.1 Ų113.184%0.83673%0.734SS**PPolyproline II helixtrans-78.8128.1-173.1-48.8169.9000111.7
804P54.6Low44.1Very low115 Ų115112.6 Ų112.675%0.74773%0.728SS**PPolyproline II helixtrans-71.2134.5165.8-1631.3000111.5
805G47.1Very low44.3Very low70 Ų70112.5 Ų112.572%0.72273%0.73SS**PPolyproline II helixtrans-64.5148.8-174.600000114.9
806D41.6Very low44.9Very low155 Ų155113 Ų11383%0.82973%0.733SS**PPolyproline II helixtrans-62.1131.8-172.6-64.1-70.1000113.7G808D806-G808 PolarHBondContact O-N 3.16Å
807P55.2Low44.8Very low121 Ų121112.8 Ų112.879%0.78673%0.731SS**PPolyproline II helixtrans-60.4125.9167.9-22.634000111I809P807-I809 PolarHBondContact O-N 2.85Å
808G42.1Very low44.8Very low70 Ų70110.3 Ų110.372%0.72273%0.727SS**PPolyproline II helixtrans-53.5128.9-178.600000112.5D806 P810D806-G808 PolarHBondContact O-N 3.16Å; G808-P810 VanDerWaalsContact O-CD 3.3Å; G808-P810 WeakPolarHBondContact O-CD 3.3Å
809I41.8Very low44.7Very low156 Ų156108.8 Ų108.880%0.873%0.729SS**PPolyproline II helixtrans-53.2116.9-171.2-54173000110.5P807 G811P807-I809 PolarHBondContact O-N 2.85Å; I809-G811 PolarHBondContact O-N 2.96Å
810P50.7Low44.3Very low117 Ų117110.1 Ų110.176%0.7674%0.743SS**PPolyproline II helixtrans-61.2121.6172.2-22.634.5000109.7G808 Q812G808-P810 VanDerWaalsContact O-CD 3.3Å; G808-P810 WeakPolarHBondContact O-CD 3.3Å; P810-Q812 PolarHBondContact O-N 3.32Å
811G44.6Very low44Very low69 Ų69115.7 Ų115.771%0.71177%0.767SS**PPolyproline II helixtrans-55.1131.2-174.600000112.2I809 P813I809-G811 PolarHBondContact O-N 2.96Å; G811-P813 WeakPolarHBondContact O-CD 3.09Å
812Q40.6Very low43.7Very low187 Ų187118 Ų11887%0.87478%0.775SS**PPolyproline II helixtrans-56.1123-177.6-68.3-177.3-3.100110.8P810 G814P810-Q812 PolarHBondContact O-N 3.32Å; Q812-G814 PolarHBondContact O-N 3.18Å
813P49.5Very low43.4Very low128 Ų128117.5 Ų117.583%0.83177%0.769SS**PPolyproline II helixtrans-60.9123.5172.7-23.634.8000110.4G811G811-P813 WeakPolarHBondContact O-CD 3.09Å
814G44.7Very low43.3Very low60 Ų60112.5 Ų112.562%0.61975%0.746SS**PPolyproline II helixtrans-60.9149.7-177.600000113.1Q812 P816Q812-G814 PolarHBondContact O-N 3.18Å; G814-P816 WeakPolarHBondContact O-CD 2.99Å
815P39.6Very low42.5Very low126 Ų126112.3 Ų112.382%0.81873%0.734SS**PPolyproline II helixtrans-62.7126.9-174.524.7-34.2000112.1G817P815-G817 PolarHBondContact O-N 3.43Å
816P53.1Low42.1Very low135 Ų135112.6 Ų112.688%0.87774%0.737SS**PPolyproline II helixtrans-62.2128.2175.3-24.435.2000112.5G814G814-P816 WeakPolarHBondContact O-CD 2.99Å
817G44.3Very low41.9Very low67 Ų67112.7 Ų112.769%0.69173%0.732SS**PPolyproline II helixtrans-89.1134.8-170.900000116.1P815P815-G817 PolarHBondContact O-N 3.43Å
818S34.6Very low41.1Very low113 Ų113116.1 Ų116.179%0.7974%0.74SS**  trans50.9106.4146.661.80000121.4
819V42.2Very low40.9Very low150 Ų150115.7 Ų115.791%0.90974%0.735SS**  trans24.2129.1131.3-1710000120.1
820G40.1Very low41.2Very low76 Ų76114.5 Ų114.578%0.78474%0.738SS**  trans-166145.8160.200000112.9
821M30.3Very low40.9Very low173 Ų173120.9 Ų120.985%0.85275%0.747SS**  trans-113.7129.6-169.7-78177.560.500116
822K37.8Very low40.6Very low173 Ų173120 Ų12075%0.75274%0.738SS**  trans63.3118.9135-167.4176.6-176.5174.60121.6
823G38.2Very low41Very low43 Ų43116.2 Ų116.244%0.44373%0.729SS.*  trans-140.8154.715400000110.2
824V36.7Very low40.6Very low59 Ų59119.6 Ų119.636%0.35873%0.726SS.*  trans-155.9141.6-163.5-88.80000118.4
825K38.7Very low40.4Very low111 Ų111119.1 Ų119.148%0.48372%0.721SS.*  trans103.7133.1142.1-169172.4-178.8164.70120.1E827K825-E827 WeakPolarHBondContact CE-OE1 3.32Å; K825-E827 WeakPolarHBondContact CE-OE2 3.46Å; K825-E827 IonicContact NZ-OE1 2.64Å; K825-E827 PolarHBondContact NZ-OE1 2.9Å; K825-E827 IonicContact NZ-OE2 3.48Å; K825-E827 PolarHBondContact NZ-OE2 2.8Å
826G38.4Very low40.1Very low76 Ų76120.6 Ų120.678%0.78472%0.717SS**  trans-162.3139.1154.700000110.4
827E37.5Very low39.5Very low157 Ų157119.5 Ų119.573%0.73472%0.719SS**  trans-131.4156.6-169.6-77.3170.1161.300113.5K825K825-E827 WeakPolarHBondContact CE-OE1 3.32Å; K825-E827 WeakPolarHBondContact CE-OE2 3.46Å; K825-E827 IonicContact NZ-OE1 2.64Å; K825-E827 PolarHBondContact NZ-OE1 2.9Å; K825-E827 IonicContact NZ-OE2 3.48Å; K825-E827 PolarHBondContact NZ-OE2 2.8Å
828M36.9Very low39.2Very low192 Ų192119.7 Ų119.795%0.94672%0.721SS**  trans-159.9147.2149.3-165.8152.956.500113
829G39.4Very low39.1Very low61 Ų61122.4 Ų122.463%0.62973%0.727SS**  trans-149.9-147.9168.500000108.6
830P47.1Very low38.9Very low132 Ų132124 Ų12486%0.85773%0.727SS**  cis-135.6-172.9-24.542.7-26.8000113
831R45.2Very low38.7Very low251 Ų251123.5 Ų123.595%0.94772%0.722SS**  trans-173.3159.1145.5-161.7158.7179.41661113.4
832G37.1Very low39.3Very low51 Ų51123.1 Ų123.153%0.52672%0.721SS.*  trans-141-141.4179.200000116.8
833P50.3Low39.4Very low106 Ų106124.6 Ų124.669%0.68873%0.728SS**  -139175.1-102.142.2-26.8000118.9F621F621-P833 HydrophobicContact CD2-CG 4.38Å; F621-P833 HydrophobicContact CE2-CG 4.04Å; F621-P833 HydrophobicContact CZ-CG 4.23Å
834R41.5Very low39.6Very low199 Ų199125.8 Ų125.875%0.75174%0.74SS**  trans-177.2159.5156.5-179.7172.8169.788.418.2110.1E836R834-E836 IonicContact CZ-OE2 3.21Å; R834-E836 IonicContact NH1-OE2 2.83Å; R834-E836 PolarHBondContact NH1-OE2 2.86Å; R834-E836 IonicContact NH2-OE2 2.72Å; R834-E836 PolarHBondContact NH2-OE2 3.05Å
835G39.7Very low39.9Very low51 Ų51129.4 Ų129.453%0.52676%0.761SS.*  cis140.3129.9-16.700000118.4
836E33.9Very low40.1Very low157 Ų157132.8 Ų132.873%0.73478%0.779SS**  trans85.1126.9154.9-51.6-179.113200125.3R834R834-E836 IonicContact CZ-OE2 3.21Å; R834-E836 IonicContact NH1-OE2 2.83Å; R834-E836 PolarHBondContact NH1-OE2 2.86Å; R834-E836 IonicContact NH2-OE2 2.72Å; R834-E836 PolarHBondContact NH2-OE2 3.05Å
837A39.3Very low40.2Very low111 Ų111132.6 Ų132.692%0.91778%0.777SS**  78.8138.4129.100000125.4
838G38.1Very low40.8Very low71 Ų71130.5 Ų130.573%0.73278%0.777SS**  trans167.1137.1166.300000113.2
839N32.9Very low41.4Very low170 Ų170127.3 Ų127.391%0.90977%0.771SS**  trans-133172.9-165.7-85.5-32.8000115.5
840M38.3Very low41.8Very low184 Ų184127.7 Ų127.791%0.90677%0.774SS**  trans101.9119156.3-161.3162.758.700115.5
841G35.8Very low41.5Very low66 Ų66127.2 Ų127.268%0.6877%0.772SS**  104146.579.600000108.9
842I43.1Very low41.2Very low165 Ų165125.3 Ų125.385%0.84677%0.77SS**  cis-157.914221.620.4170.8000111.6
843K40.2Very low41.6Very low204 Ų204125.9 Ų125.989%0.88778%0.776SS**  56.6129.1126.9-159177.3-177.4-177.90121.2
844G41.9Very low41.4Very low67 Ų67130 Ų13069%0.69179%0.785SS**  trans-113.4-160.4175.600000115.9
845V42.8Very low41.3Very low135 Ų135126.2 Ų126.282%0.81879%0.787SS**  trans-134.3113.4-176.4-149.90000105.9
846Q43.6Very low41.1Very low182 Ų182126.9 Ų126.985%0.8579%0.794SS**  60.3118.369.4-161.9177.332.900113
847G39.5Very low41.3Very low72 Ų72127.9 Ų127.974%0.74280%0.803SS**  cis177.2-122.6-3.900000116.3
848P51Low41.2Very low113 Ų113127.6 Ų127.673%0.73480%0.795SS**  trans-90.6161.4-14342.3-41.7000112.7
849P49.4Very low41.1Very low126 Ų126127.5 Ų127.582%0.81879%0.794SS**  -131.6138.161.722.6-0.8000115.7
850G46.7Very low41.1Very low68 Ų68128.8 Ų128.870%0.70179%0.794SS**  trans-83.7167.1146.900000110.2
851P41.1Very low41.2Very low123 Ų123129.1 Ų129.180%0.79979%0.793SS**  trans-127.1158.8136.637.1-30.7000112.7
852K39.8Very low41.4Very low211 Ų211128.9 Ų128.992%0.91779%0.791SS**  trans12.2120151.5-60.4177.3177-178.80116.9
853G45Very low41.2Very low63 Ų63128.9 Ų128.965%0.64979%0.793SS**  cis124.6147.2-0.600000113.1
854H46.5Very low41.5Very low191 Ų191128.8 Ų128.888%0.88479%0.787SS**  trans-55.9131.8168.6-33.4-64.8000109.5
855P38.9Very low41.1Very low120 Ų120129.4 Ų129.478%0.77979%0.793SS**  -99.3-179.996.5-18.735.7000111.9
856G35.3Very low41Very low66 Ų66129.6 Ų129.668%0.6879%0.785SS**  cis76.4119.34600000108.4
857L39.3Very low41Very low177 Ų177127.7 Ų127.793%0.92779%0.789SS**SBendcis-127.5152.529.4-58161.7000110.2
858S35.4Very low41Very low105 Ų105127.6 Ų127.673%0.73479%0.787SS**  cis-153.3126.5-7.244.80000109.8
859G35.8Very low40.5Very low69 Ų69129.1 Ų129.171%0.71179%0.794SS**  trans-93.2170.2151.600000109.6
860Q33.4Very low40.1Very low197 Ų197132.6 Ų132.692%0.92180%0.8SS**  trans70.9140.8-165.8-46.7173.59.400111.3
861Q39.9Very low39.7Very low191 Ų191132.4 Ų132.489%0.89380%0.797SS**  cis-134.2147.112.6-179.7-179.9-4.200109.4
862G41.5Very low39.6Very low61 Ų61134.4 Ų134.463%0.62980%0.801SS**  cis139.7135.81.400000110.2
863D38.4Very low40Very low165 Ų165133.7 Ų133.788%0.88280%0.801SS**SBendtrans-58.1161.1-178.7-85.7-65000114.3
864R45.8Very low39.7Very low203 Ų203134.5 Ų134.577%0.76681%0.809SS**  trans77.885.3159.1-163.5-175.1-171.7138.21.2117.2
865G33.4Very low39.5Very low79 Ų79130.9 Ų130.981%0.81481%0.805SS**  trans-9794148.100000111.5
866Q41Very low39.7Very low139 Ų139134 Ų13465%0.6581%0.809SS**  trans-69.1139148.4-70.3174.4-94.900106.4G868Q866-G868 PolarHBondContact O-N 2.83Å
867P43.9Very low39.8Very low143 Ų143134.1 Ų134.193%0.92981%0.811SS**SBendtrans-55.9121.7-166.7-28.435.9000113.5
868G40Very low39.9Very low69 Ų69134.1 Ų134.171%0.71181%0.811SS**  trans-116.8-159.6-168.800000115.2Q866Q866-G868 PolarHBondContact O-N 2.83Å
869V39.7Very low40.3Very low145 Ų145137.3 Ų137.388%0.87982%0.818SS**  trans-151.4113.8177.4-93.60000113
870Q41.1Very low40.4Very low200 Ų200137.2 Ų137.294%0.93582%0.817SS**  trans43.3128133.1-167.4169.9-17.200123.7
871G39.3Very low40.5Very low63 Ų63137.1 Ų137.165%0.64982%0.817SS**  trans117.3128.9161.600000114.4
872D38.7Very low40.9Very low166 Ų166134.3 Ų134.389%0.88882%0.815SS**  cis-145.31405.4-73.2-36.4000114.6
873Q46.9Very low40.9Very low196 Ų196134.9 Ų134.992%0.91682%0.82SS**  trans25.8124.2142.9-169.8172.5-17.500125.4
874G39.7Very low40.9Very low79 Ų79133.5 Ų133.581%0.81482%0.821SS**  trans94.1144.4141.700000118.3
875S42.7Very low41.2Very low115 Ų115131.5 Ų131.580%0.80482%0.82SS**  cis-148.9173.18.2650000113.8
876E43.1Very low42.1Very low185 Ų185130.5 Ų130.586%0.86481%0.809SS**  trans-63.9169.6170.1-58.3123.2116.500113.2
877G37.5Very low42.6Very low69 Ų69129.7 Ų129.771%0.71182%0.816SS**  cis133.1146.4-0.400000112.7
878L41.2Very low43.5Very low178 Ų178127.8 Ų127.893%0.93280%0.804SS**  trans-167.3164.8165.8-110.2175.7000112.8
879I42.7Very low43.9Very low171 Ų171127.7 Ų127.788%0.87780%0.803SS**  trans-142.2150.7-160.5-74.1167.7000112.7
880G37.8Very low44.1Very low67 Ų67130.2 Ų130.269%0.69181%0.805SS**  trans126.3142.2161.300000114.6
881E36.5Very low44.1Very low196 Ų196128 Ų12892%0.91680%0.8SS**  cis-136.4164.10.4-69.4-162.5118.200112.5
882P48.5Very low44.5Very low132 Ų132128.4 Ų128.486%0.85780%0.804SS**  trans-125.2164.8-168.340.6-26.1000117.2
883G40.7Very low44.7Very low72 Ų72131.6 Ų131.674%0.74280%0.803SS**  trans116163.8158.500000116.1
884P38.6Very low45.4Very low137 Ų137128.1 Ų128.189%0.8980%0.798SS**  cis-99.3174.35.538.8-34.7000114.7
885Q53.1Low46Very low161 Ų161127.2 Ų127.275%0.75279%0.788SS**PPolyproline II helixtrans-96.2133.6-173.9168.7178.37.900112.2
886G51.5Low46.6Very low57 Ų57127.6 Ų127.659%0.58879%0.788SS**PPolyproline II helixtrans-75.5145.6161.200000111
887P52.3Low47.5Very low123 Ų123124.7 Ų124.780%0.79979%0.785SS**PPolyproline II helixtrans-60.8138.1-175.125.2-34.1000111.4G889P887-G889 PolarHBondContact O-N 2.85Å
888P61.2Low48.3Very low103 Ų103124.6 Ų124.667%0.66978%0.784SS**PPolyproline II helixtrans-57.5137.6170-21.632.9000110.4E890P888-E890 PolarHBondContact O-N 3.27Å
889G48.8Very low49.2Very low66 Ų66122.3 Ų122.368%0.6878%0.78SS**PPolyproline II helixtrans-61136.316800000109.8P887 N891P887-G889 PolarHBondContact O-N 2.85Å; G889-N891 PolarHBondContact O-N 2.87Å
890E43.5Very low49.6Very low199 Ų199118.8 Ų118.893%0.9378%0.777SS**PPolyproline II helixtrans-59.7126.8173.4-75.2-161.7106.500109.6P888 G892P888-E890 PolarHBondContact O-N 3.27Å; E890-G892 PolarHBondContact O-N 2.02Å
891N42.2Very low50Low154 Ų154119.2 Ų119.282%0.82478%0.781SS**PPolyproline II helixtrans-57.8117.1175.9-76.3-31.2000109.3G889 R893G889-N891 PolarHBondContact O-N 2.87Å; N891-R893 PolarHBondContact O-N 3.21Å
892G47.1Very low50.4Low71 Ų71119.1 Ų119.173%0.73278%0.781SS**  trans-52.8113.3166.900000108.7E890 P894E890-G892 PolarHBondContact O-N 2.02Å; G892-P894 WeakPolarHBondContact O-CD 3.29Å
893R44.3Very low50.3Low233 Ų233119.6 Ų119.688%0.87978%0.781SS**PPolyproline II helixtrans-56.7125.5-175.2-68.6-176.2179.8-170.90.5108.8N891 G895N891-R893 PolarHBondContact O-N 3.21Å; R893-G895 PolarHBondContact O-N 3.4Å
894P60.8Low50.6Low123 Ų123119 Ų11980%0.79978%0.775SS**PPolyproline II helixtrans-52.2131.9172-26.935.3000109.7G892G892-P894 WeakPolarHBondContact O-CD 3.29Å
895G52.5Low51.3Low60 Ų60118.8 Ų118.862%0.61977%0.773SS**PPolyproline II helixtrans-56137.9-178.500000110.7R893 P897R893-G895 PolarHBondContact O-N 3.4Å; G895-P897 WeakPolarHBondContact O-CD 3.33Å
896P54.9Low51Low122 Ų122120.8 Ų120.879%0.79278%0.78SS**PPolyproline II helixtrans-58.4125.6-179.124-33.2000109.4G898P896-G898 PolarHBondContact O-N 3.41Å
897P61.9Low50.4Low124 Ų124121 Ų12181%0.80578%0.782SS**PPolyproline II helixtrans-56.4130.9177.5-26.435.2000110.7G895G895-P897 WeakPolarHBondContact O-CD 3.33Å
898G54.9Low50Low68 Ų68124.9 Ų124.970%0.70179%0.789SS**PPolyproline II helixtrans-57.8130.6177.600000110.5P896 A900P896-G898 PolarHBondContact O-N 3.41Å; G898-A900 PolarHBondContact O-N 3.1Å
899P59.6Low49.3Very low130 Ų130125 Ų12584%0.84480%0.799SS**PPolyproline II helixtrans-62.9124.1-177.524.8-33.4000110.2G901P899-G901 PolarHBondContact O-N 3.16Å
900A50.5Low49Very low97 Ų97125.1 Ų125.180%0.80280%0.801SS**PPolyproline II helixtrans-64.2123.6179.100000110.4G898 Q902G898-A900 PolarHBondContact O-N 3.1Å; A900-Q902 PolarHBondContact O-N 3.4Å
901G45.9Very low48.6Very low76 Ų76123.5 Ų123.578%0.78480%0.799SS**PPolyproline II helixtrans-66.3124.5-179.700000111.9P899P899-G901 PolarHBondContact O-N 3.16Å
902Q45.3Very low49Very low194 Ų194122 Ų12291%0.90780%0.797SS**PPolyproline II helixtrans-81.9128.5169.2-66.4-168.914.200109.9A900 G904A900-Q902 PolarHBondContact O-N 3.4Å; Q902-G904 PolarHBondContact O-N 3.04Å
903T46.7Very low48.5Very low142 Ų142122.3 Ų122.387%0.87180%0.8SS**PPolyproline II helixtrans-69.2123.6-179-55.50000110.2
904G48.1Very low48.1Very low59 Ų59119.7 Ų119.761%0.60880%0.803SS**PPolyproline II helixtrans-80.5151.2-175.500000114.5Q902 K906Q902-G904 PolarHBondContact O-N 3.04Å; G904-K906 PolarHBondContact O-N 3.24Å
905P52.3Low47.4Very low132 Ų132123.1 Ų123.186%0.85781%0.808SS**  trans-76.8104.6171.631.1-33000111.6
906K46.4Very low46.8Very low203 Ų203123.4 Ų123.488%0.88381%0.812SS**  trans-54.4137.8149.3169.2-168.2176.1-172.90108.9G904G904-K906 PolarHBondContact O-N 3.24Å
907G39.3Very low46.2Very low62 Ų62124.2 Ų124.264%0.63982%0.817SS**  cis136.7119.91.500000110
908E43.5Very low45.7Very low204 Ų204123.5 Ų123.595%0.95382%0.821SS**  trans-127.3164.3-179.2-66.2-162.9141.100112
909A46.1Very low45Very low105 Ų105123.8 Ų123.887%0.86882%0.824SS**  trans-76.4150-168.200000113.3
910G43Very low44.2Very low70 Ų70122.9 Ų122.972%0.72282%0.821SS**  trans-98166167.500000111.9
911D35.3Very low43.9Very low165 Ų165125.4 Ų125.488%0.88282%0.821SS**  trans-154.2163.7159.4-107.1-28.3000109.3
912P51.5Low43.8Very low121 Ų121125.7 Ų125.779%0.78682%0.824SS**  trans-102.2157.2-145.737.5-38.5000116.8
913G36.6Very low43.4Very low78 Ų78124.3 Ų124.380%0.80482%0.819SS**  trans-177.6149.6167.700000112.3
914L36.1Very low43.5Very low179 Ų179122.4 Ų122.494%0.93782%0.818SS**  trans-103.5130.9-179.5-76.9167.9000112.6
915E45.7Very low43.2Very low194 Ų194123 Ų12391%0.90782%0.824SS**  trans43.7122.6146.1-165.8168.3-156.700122.7
916G38.3Very low42.6Very low67 Ų67124.4 Ų124.469%0.69182%0.823SS**  trans105.8166.1138.900000117.6
917P43.2Very low42.8Very low139 Ų139120.4 Ų120.490%0.90382%0.818SS**  cis-116.4-165.3-10.440.4-26.4000112.6
918A51.4Low43.1Very low109 Ų109121.1 Ų121.190%0.90183%0.825SS**  trans-108.4160.4-168.600000116.3
919G41.1Very low43.2Very low74 Ų74117.6 Ų117.676%0.76382%0.82SS**  trans145.8151.2168.300000112.8
920S42.8Very low43.1Very low110 Ų110116.6 Ų116.677%0.76981%0.812SS**  cis-166.1143-12.251.80000111.2
921D43.7Very low43Very low151 Ų151115.6 Ų115.681%0.80780%0.802SS**  trans54.3127.8156.9-61.3-10.2000123.6
922G42.7Very low43.2Very low82 Ų82111.3 Ų111.385%0.84578%0.779SS**  trans-159.686.3158.100000109.9
923M38.1Very low42.7Very low165 Ų165111.2 Ų111.281%0.81377%0.766SS**  trans-117.6161.4-167.7-73.3-173.568.500115.1
924A48.7Very low43.1Very low101 Ų101109.4 Ų109.484%0.83575%0.747SS**  trans72.3148.7169.100000117.6
925G41.6Very low43.2Very low71 Ų71107.9 Ų107.973%0.73274%0.736SS**  cis178174.4-2.800000112.6
926L39.9Very low43.2Very low163 Ų163104.6 Ų104.685%0.85372%0.715SS**  cis-148.8-76.5-4.8-118.3172000116.4
927P49.9Very low43.4Very low118 Ų118102.3 Ų102.377%0.76669%0.691SS**  trans-133.7122.4-137.238.9-21.6000121.7
928G45.1Very low43.2Very low77 Ų7798.2 Ų98.279%0.79466%0.662SS**  trans64.4176.9132.400000121.9
929P46.5Very low43Very low130 Ų13098.1 Ų98.184%0.84465%0.652SS**  cis-126.4-178.9-10.140.7-25.6000114.3
930A44.5Very low43.1Very low85 Ų8596.7 Ų96.770%0.70264%0.638SS**  cis-174.7157.9-30.200000113.3
931G40.1Very low42.5Very low49 Ų4999.2 Ų99.251%0.50564%0.641SS.*  trans85.9164.3158.300000119.8P224 V225P224-G931 CarbonylContact C-O 3.54Å; P224-G931 VanDerWaalsContact CA-O 3.3Å; P224-G931 WeakPolarHBondContact CA-O 3.37Å; V225-G931 CarbonylContact O-C 3.57Å; V225-G931 VanDerWaalsContact O-O 3.13Å
932D40.4Very low42.5Very low75 Ų7597.5 Ų97.540%0.40164%0.638SS.*  cis-164.4143.2-28.4-176.522.4000113.2S222 P224 V225S222-D932 WeakPolarHBondContact CB-OD1 3.34Å; P224-D932 VanDerWaalsContact C-N 3.33Å; V225-D932 WeakPolarHBondContact CA-O 3.3Å; V225-D932 VanDerWaalsContact N-N 3.17Å; V225-D932 PolarHBondContact N-O 2.78Å; V225-D932 PolarHBondContact O-N 3.25Å
933K39.2Very low42.1Very low118 Ų11897.2 Ų97.251%0.51364%0.636SS.*  trans67.8119.1-169.4-79.180.2-152.4138.30117.8S222 G223 P224S222-K933 VanDerWaalsContact C-N 3.29Å; S222-K933 VanDerWaalsContact CA-CA 3.46Å; S222-K933 VanDerWaalsContact OG-CE 3.22Å; S222-K933 WeakPolarHBondContact OG-CE 3.26Å; S222-K933 PolarHBondContact OG-NZ 2.89Å; G223-K933 CarbonylContact C-O 3.42Å; G223-K933 CarbonylContact O-C 3.53Å; G223-K933 VanDerWaalsContact O-C 3.3Å; P224-K933 WeakPolarHBondContact CD-O 3.37Å
934G45Very low42.1Very low40 Ų4095.3 Ų95.341%0.41263%0.634SS.*  cis-171.7173.7-5.400000110.8G223G223-G934 VanDerWaalsContact C-N 3.34Å; G223-G934 VanDerWaalsContact N-CA 3.34Å; G223-G934 VanDerWaalsContact N-N 3.14Å; G223-G934 PolarHBondContact O-N 2.67Å
935E39.6Very low41.6Very low148 Ų14896.4 Ų96.469%0.69263%0.629SS**  cis-166.2158.49.2-62.9-159112.800110.9G220 H221G220-E935 VanDerWaalsContact C-OE1 3.25Å; G220-E935 VanDerWaalsContact CA-OE1 3.25Å; G220-E935 WeakPolarHBondContact CA-OE1 3.36Å; H221-E935 VanDerWaalsContact N-CA 3.26Å; H221-E935 VanDerWaalsContact N-CB 3.3Å
936R44.9Very low41.6Very low125 Ų12595.5 Ų95.547%0.47262%0.621SS.*  cis71.1116.6-21.7-150.1-82.8-59.2138.710.1128.7G220 H221 D938G220-R936 CarbonylContact C-O 3.58Å; G220-R936 VanDerWaalsContact CA-C 3.49Å; G220-R936 WeakPolarHBondContact CA-O 3.49Å; G220-R936 PolarHBondContact N-O 3.46Å; H221-R936 HydrophobicContact CB-CB 3.79Å; H221-R936 VanDerWaalsContact CD2-CZ 3.45Å; H221-R936 PolarHBondContact CD2-NE 3.1Å; H221-R936 PolarHBondContact CD2-NH2 3.3Å; H221-R936 PolarHBondContact N-O 2.88Å; H221-R936 PolarHBondContact NE2-NH2 2.84Å; R936-D938 IonicContact CZ-OD1 2.64Å; R936-D938 IonicContact NH1-OD1 2.71Å; R936-D938 PolarHBondContact NH1-OD1 2.92Å; R936-D938 IonicContact NH2-OD1 3.19Å
937G44Very low41.7Very low19 Ų1994 Ų9420%0.19662%0.62CS.*PPolyproline II helixtrans-54.9128.3176.600000123.6S218 R219S218-G937 WeakPolarHBondContact O-CA 3.22Å; R219-G937 VanDerWaalsContact O-CA 3.26Å; R219-G937 WeakPolarHBondContact O-CA 3.06Å; R219-G937 PolarHBondContact O-N 2.83Å
938D38.1Very low41.4Very low52 Ų5294.5 Ų94.528%0.27862%0.615SS.*PPolyproline II helixtrans-97132.6159-62.9-32.5000111.6S218 R219 R936S218-D938 CarbonylContact C-O 3.1Å; S218-D938 WeakPolarHBondContact CA-O 3.49Å; S218-D938 WeakPolarHBondContact CB-O 3.5Å; R219-D938 HydrophobicContact CB-CB 3.8Å; R219-D938 WeakPolarHBondContact CD-OD2 3.27Å; R219-D938 IonicContact CZ-OD2 3.42Å; R219-D938 VanDerWaalsContact N-N 3.1Å; R219-D938 PolarHBondContact N-O 2.96Å; R219-D938 IonicContact NE-OD2 3.43Å; R219-D938 IonicContact NH1-OD2 3.34Å; R219-D938 PolarHBondContact NH1-OD2 3.05Å; R936-D938 IonicContact CZ-OD1 2.64Å; R936-D938 IonicContact NH1-OD1 2.71Å; R936-D938 PolarHBondContact NH1-OD1 2.92Å; R936-D938 IonicContact NH2-OD1 3.19Å
939P47.2Very low41.2Very low107 Ų10793 Ų9370%0.69560%0.6SS**PPolyproline II helixtrans-63.6168.9175.2-23.734.8000116
940G43.8Very low41.1Very low45 Ų4593 Ų9346%0.46460%0.6SS.*PPolyproline II helixtrans-72.1122.917100000114
941L30.1Very low40.9Very low162 Ų16296 Ų9685%0.84860%0.604SS**  trans-164.1163.2168.7-86.9176.7000107.3
942P42.8Very low40.8Very low115 Ų11596.5 Ų96.575%0.74761%0.609SS**  cis-116.5-173-42.136.2-20.9000110.3
943G35Very low40.8Very low76 Ų76101.1 Ų101.178%0.78463%0.634SS**  trans-73.5137.8-177.600000115.3
944T38.2Very low41.1Very low126 Ų126103.4 Ų103.477%0.77365%0.647SS**  trans-117.6122.8158.655.30000106.7
945V38.3Very low41.2Very low123 Ų123104 Ų10475%0.74565%0.653SS**  42.7104.485.8-174.50000109.6
946G40.5Very low41.3Very low53 Ų53103.2 Ų103.255%0.54666%0.661SS.*  trans-70.4-172.6-170.800000113.8I948G946-I948 VanDerWaalsContact C-N 3.3Å; G946-I948 PolarHBondContact O-N 2.89Å
947P41.5Very low41.3Very low131 Ų131102.1 Ų102.185%0.85167%0.673SS**  trans-63.393.917128.2-34.1000110.3G949P947-G949 PolarHBondContact O-N 2.85Å
948I44.4Very low41.3Very low129 Ų129104.2 Ų104.266%0.66269%0.694SS**  -41.1125.4127-63.2171.5000105.3G946G946-I948 VanDerWaalsContact C-N 3.3Å; G946-I948 PolarHBondContact O-N 2.89Å
949G41.5Very low41.4Very low46 Ų46106 Ų10647%0.47472%0.716SS.*  trans-63.5-179.4-172.500000112.1P947 D951P947-G949 PolarHBondContact O-N 2.85Å; G949-D951 PolarHBondContact O-N 3.17Å
950P44.1Very low41.6Very low130 Ų130107.1 Ų107.184%0.84472%0.723SS**  trans-62.383.5153.630-33.1000108.6G952P950-G952 WeakPolarHBondContact O-CA 3.08Å; P950-G952 PolarHBondContact O-N 3.3Å; P950-G952 VanDerWaalsContact O-N 3.09Å
951D40.6Very low41.6Very low146 Ų146108.4 Ų108.478%0.78174%0.736SS**  trans-48.1114.6144.4-87.5-31.6000105G949G949-D951 PolarHBondContact O-N 3.17Å
952G38.7Very low42.1Very low60 Ų60108.9 Ų108.962%0.61973%0.731SS**  trans-64161.7-140.600000115.2P950 Q954P950-G952 WeakPolarHBondContact O-CA 3.08Å; P950-G952 PolarHBondContact O-N 3.3Å; P950-G952 VanDerWaalsContact O-N 3.09Å; G952-Q954 PolarHBondContact O-N 3.27Å
953D39.6Very low42.3Very low173 Ų173111.6 Ų111.693%0.92574%0.738SS**  trans-48.3110.3164.8-98.6-44.4000109G955D953-G955 PolarHBondContact O-N 3.15Å
954Q45.7Very low42.9Very low165 Ų165110.4 Ų110.477%0.77173%0.726SS**  trans-60.3100.5-171.7178.6-176.4-1700108.6G952G952-Q954 PolarHBondContact O-N 3.27Å
955G46.3Very low43.5Very low54 Ų54110.7 Ų110.756%0.55773%0.73SS**  trans-47134.5-174.800000111.1D953 S957D953-G955 PolarHBondContact O-N 3.15Å; G955-S957 PolarHBondContact O-N 2.99Å
956P43.1Very low44Very low131 Ų131111.7 Ų111.785%0.85174%0.736SS**SBendtrans-50.1115.1-160.116.6-31.7000111.3G958P956-G958 PolarHBondContact O-N 2.77Å; P956-G958 VanDerWaalsContact O-N 3.12Å
957S43.3Very low44.4Very low102 Ų102111.9 Ų111.971%0.71374%0.738SS**  trans-43.4115.5-161.2-172.10000112.4G955 A959G955-S957 PolarHBondContact O-N 2.99Å; S957-A959 PolarHBondContact O-N 2.84Å
958G43.6Very low44.8Very low62 Ų62111.7 Ų111.764%0.63974%0.737SS**PPolyproline II helixtrans-51.2126.7-169.100000112P956 P960P956-G958 PolarHBondContact O-N 2.77Å; P956-G958 VanDerWaalsContact O-N 3.12Å; G958-P960 WeakPolarHBondContact O-CD 3.45Å; G958-P960 VanDerWaalsContact O-N 3.16Å
959A41.2Very low44.9Very low90 Ų90111.7 Ų111.774%0.74475%0.745SS**PPolyproline II helixtrans-51.6121.3-174.800000110.9S957 G961S957-A959 PolarHBondContact O-N 2.84Å; A959-G961 PolarHBondContact O-N 2.74Å; A959-G961 VanDerWaalsContact O-N 3.15Å
960P51.6Low44.8Very low131 Ų131112.4 Ų112.485%0.85175%0.753SS**PPolyproline II helixtrans-50122.4-173.8-3336.9000112.6G958G958-P960 WeakPolarHBondContact O-CD 3.45Å; G958-P960 VanDerWaalsContact O-N 3.16Å
961G43.1Very low44.3Very low71 Ų71113.8 Ų113.873%0.73275%0.753SS**PPolyproline II helixtrans-65.2157.6-158.500000114.9A959A959-G961 PolarHBondContact O-N 2.74Å; A959-G961 VanDerWaalsContact O-N 3.15Å
962K40.3Very low44.2Very low173 Ų173113.7 Ų113.775%0.75276%0.757SS**  trans-91.7113.9164.6-71.9-174.9179.9174.30109.3G964K962-G964 PolarHBondContact O-N 2.66Å
963I47.1Very low44.1Very low171 Ų171114.1 Ų114.188%0.87776%0.762SS**  trans-43.2119.9171.4-61.7159.6000109.3
964G47.6Very low44.1Very low52 Ų52115.5 Ų115.554%0.53676%0.76SS.*PPolyproline II helixtrans-85.4161.8173.700000112.1K962K962-G964 PolarHBondContact O-N 2.66Å
965P51.9Low44Very low132 Ų132113.8 Ų113.886%0.85776%0.763SS**PPolyproline II helixtrans-74125.2165.830.8-31.3000110.2
966T47.6Very low43.4Very low144 Ų144114.9 Ų114.988%0.88377%0.774SS**PPolyproline II helixtrans-50.2133173.5-48.30000112.1
967G50.3Low43.2Very low57 Ų57118.6 Ų118.659%0.58878%0.78SS**PPolyproline II helixtrans-76.7162.3175.700000113.7
968P48.7Very low43Very low127 Ų127122.7 Ų122.783%0.82579%0.791SS**PPolyproline II helixtrans-73.4155.3172.231.9-34.4000111.8
969P47.7Very low43.1Very low128 Ų128122.8 Ų122.883%0.83179%0.791SS**PPolyproline II helixtrans-81154.3-171.4-10.228.7000113.1
970G38Very low42.9Very low62 Ų62124.3 Ų124.364%0.63979%0.793SS**  trans-85.6-179.3164.900000112.4
971N33.7Very low42.6Very low159 Ų159123.2 Ų123.285%0.8579%0.786SS**  177.7140.5129-93.4-31.4000114.6
972V38.9Very low42.3Very low143 Ų143123.7 Ų123.787%0.86779%0.792SS**  trans56.8116.6145.7-178.40000119.9
973G36.1Very low42.2Very low69 Ų69122.8 Ų122.871%0.71180%0.795SS**  trans151.2122.6160.100000111.9
974K40.9Very low42Very low202 Ų202118.6 Ų118.688%0.87879%0.786SS**  cis-141.7165.62.5-72.6-179.7178.2177.10110.6
975P42.3Very low41.4Very low130 Ų130120.1 Ų120.184%0.84480%0.802SS**PPolyproline II helixtrans-58154.6170-2334.9000112.8
976G34.3Very low40.7Very low77 Ų77121.4 Ų121.479%0.79480%0.8SS**PPolyproline II helixtrans-83.4173.6-171.900000115.8
977E38.8Very low40.4Very low208 Ų208120.4 Ų120.497%0.97280%0.796SS**PPolyproline II helixtrans-91.4152.8169.4-63.1-174.1139.500110.6
978M39.6Very low39.7Very low189 Ų189121.4 Ų121.493%0.93181%0.806SS**  trans-130.5135.1-170.4172.4176.462.800111.6
979G44.9Very low39.2Very low63 Ų63126.3 Ų126.365%0.64981%0.808SS**  trans93.8173.6170.800000114.7
980P37.5Very low38.8Very low122 Ų122126.4 Ų126.479%0.79281%0.807SS**PPolyproline II helixcis-88169.21234.8-35.7000114.8
981P46Very low39Very low108 Ų108126.8 Ų126.870%0.70181%0.811SS**PPolyproline II helixtrans-73166.5-178-16.532.2000114.3N983P981-N983 PolarHBondContact O-N 2.78Å
982G36.1Very low39.4Very low82 Ų82127.7 Ų127.785%0.84582%0.815SS**PPolyproline II helixtrans-64.3117.316400000110.9
983N38Very low39.8Very low154 Ų154124.5 Ų124.582%0.82480%0.797SS**PPolyproline II helixtrans-82.6152.2174.1-77-40.5000111P981P981-N983 PolarHBondContact O-N 2.78Å
984A42.6Very low40.1Very low83 Ų83123.9 Ų123.969%0.68679%0.79SS**PPolyproline II helixtrans-62.1149.2-172.500000113.6L986A984-L986 PolarHBondContact O-N 3.02Å
985G34.8Very low40.4Very low84 Ų84120.6 Ų120.687%0.86679%0.79SS**PPolyproline II helixtrans-60128.4166.300000110.5
986L38.2Very low40.6Very low158 Ų158118.6 Ų118.683%0.82778%0.777SS**  trans-108.9153.7176.7-74.1170.9000110.5A984A984-L986 PolarHBondContact O-N 3.02Å
987P40.5Very low41Very low124 Ų124117.8 Ų117.881%0.80577%0.768SS**  trans-70.2142-165.5-18.933.3000112.9
988G36.4Very low41.3Very low77 Ų77117.7 Ų117.779%0.79476%0.764SS**  trans-67.8146.2177.500000113.2
989R37.7Very low41.9Very low230 Ų230116.6 Ų116.687%0.86876%0.763SS**  trans-161.7117.4159.6-123.3175.3179.8-166.3-3.4113.2
990T40.4Very low42Very low131 Ų131114.3 Ų114.380%0.80474%0.739SS**  trans44.4113.8146.551.30000120
991G41.7Very low42.1Very low69 Ų69117.1 Ų117.171%0.71174%0.741SS**  trans100.3123.4132.700000116.9P993G991-P993 WeakPolarHBondContact O-CD 3.22Å
992L42Very low42Very low179 Ų179119.7 Ų119.794%0.93776%0.755SS**  trans-107.991.5165.2-75.6171000110.6
993P46.7Very low42.1Very low76 Ų76118.6 Ų118.649%0.49474%0.744SS.*  trans-60.2131.6146-18.232.8000108.3G991 E1010G991-P993 WeakPolarHBondContact O-CD 3.22Å; P993-E1010 WeakPolarHBondContact CB-OE2 3.45Å; P993-E1010 HydrophobicContact CG-CB 4.48Å; P993-E1010 WeakPolarHBondContact CG-OE2 3.41Å
994G43Very low42.4Very low56 Ų56120.1 Ų120.158%0.57774%0.743SS**  trans-65.6173.417800000112.9P996G994-P996 VanDerWaalsContact C-CD 3.49Å; G994-P996 WeakPolarHBondContact O-CD 3.15Å
995P47.2Very low43.1Very low133 Ų133124.7 Ų124.786%0.86475%0.75SS**  trans-99.294178.235.3-32.4000113.9
996P46.6Very low43.3Very low88 Ų88122.9 Ų122.957%0.57173%0.731SS**  trans-62.4141161.9-26.233.5000114G994 P1007G994-P996 VanDerWaalsContact C-CD 3.49Å; G994-P996 WeakPolarHBondContact O-CD 3.15Å; P996-P1007 HydrophobicContact CB-CG 3.26Å; P996-P1007 HydrophobicContact CG-CG 3.64Å
997G42Very low43.8Very low59 Ų59119.7 Ų119.761%0.60872%0.72SS**  trans60.981.7146.600000118.1D999G997-D999 PolarHBondContact O-N 2.92Å
998K45.7Very low44.6Very low206 Ų206125.1 Ų125.190%0.89672%0.724SS**SBendtrans-66.2123.6156.2-57.7-178.3-173.9-178.50109.1
999D52Low45.1Very low167 Ų167124.9 Ų124.989%0.89372%0.722SS**  trans38.1112.1168.2-58.5-33.8000119.3G997G997-D999 PolarHBondContact O-N 2.92Å
1000G47.1Very low45.3Very low15 Ų15121.6 Ų121.616%0.15572%0.717CS.*  trans-158.660171.300000114.2G1003 K1004 Q1005G1000-G1003 CarbonylContact O-C 3.52Å; G1000-G1003 WeakPolarHBondContact O-CA 3.36Å; G1000-K1004 VanDerWaalsContact C-N 3.29Å; G1000-K1004 VanDerWaalsContact CA-N 3.31Å; G1000-K1004 VanDerWaalsContact CA-O 3.23Å; G1000-K1004 WeakPolarHBondContact CA-O 3.1Å; G1000-K1004 CarbonylContact O-C 3.55Å; G1000-K1004 PolarHBondContact O-N 3.21Å; G1000-Q1005 PolarHBondContact O-N 3.2Å
1001Q40.4Very low46.2Very low180 Ų180124.4 Ų124.484%0.84172%0.721SS**THydrogen-bonded Turntrans-134.6104.5152.1-64.1-170.530.500106.9
1002V43.9Very low46.3Very low163 Ų163124 Ų12499%0.98872%0.717SS**THydrogen-bonded Turncis-114115.58.3179.30000110.2
1003G38Very low46.3Very low59 Ų59122 Ų12261%0.60872%0.715SS**THydrogen-bonded Turncis-162.5140.60.200000115.2G1000G1000-G1003 CarbonylContact O-C 3.52Å; G1000-G1003 WeakPolarHBondContact O-CA 3.36Å
1004K42.7Very low46.9Very low186 Ų186128.1 Ų128.181%0.80973%0.728SS**SBendtrans179.290.6165.3-104.6177.8-178.3-176.60107.5G1000 G1006G1000-K1004 VanDerWaalsContact C-N 3.29Å; G1000-K1004 VanDerWaalsContact CA-N 3.31Å; G1000-K1004 VanDerWaalsContact CA-O 3.23Å; G1000-K1004 WeakPolarHBondContact CA-O 3.1Å; G1000-K1004 CarbonylContact O-C 3.55Å; G1000-K1004 PolarHBondContact O-N 3.21Å; K1004-G1006 PolarHBondContact O-N 3.03Å
1005Q57.5Low47.1Very low178 Ų178128 Ų12883%0.83273%0.727SS**PPolyproline II helixtrans-56.2121.3-165.7-169.4172.912.300113.4G1000G1000-Q1005 PolarHBondContact O-N 3.2Å
1006G40.7Very low46.8Very low46 Ų46128.1 Ų128.147%0.47473%0.728SS.*PPolyproline II helixtrans-79.5144.2179.100000113.1K1004K1004-G1006 PolarHBondContact O-N 3.03Å
1007P46.8Very low47.1Very low91 Ų91129.7 Ų129.759%0.59173%0.731SS**PPolyproline II helixtrans-84.6164.5179.435.2-35.2000113.2P996P996-P1007 HydrophobicContact CB-CG 3.26Å; P996-P1007 HydrophobicContact CG-CG 3.64Å
1008R57.9Low47.2Very low238 Ų238129.9 Ų129.990%0.89873%0.733SS**PPolyproline II helixtrans-96.3141.4-174.7171.3176.3168.1178.5-5.2109.3
1009G47.5Very low46.8Very low73 Ų73125.1 Ų125.175%0.75372%0.718SS**PPolyproline II helixtrans-62.4155.8-174.200000114.3
1010E42.2Very low46.9Very low160 Ų160122.6 Ų122.675%0.74871%0.71SS**PPolyproline II helixtrans-75.9140.8-176.6-63.7-172.7143.200112.7P993P993-E1010 WeakPolarHBondContact CB-OE2 3.45Å; P993-E1010 HydrophobicContact CG-CB 4.48Å; P993-E1010 WeakPolarHBondContact CG-OE2 3.41Å
1011E57.8Low46.6Very low190 Ų190124.2 Ų124.289%0.88873%0.727SS**PPolyproline II helixtrans-88.9149173.7-161.3170.2145.500109.2
1012G45.5Very low47.1Very low61 Ų61122 Ų12263%0.62972%0.72SS**PPolyproline II helixtrans-62.7156.7-16500000115.6R1014G1012-R1014 PolarHBondContact O-N 3.01Å; G1012-R1014 VanDerWaalsContact O-N 3.13Å
1013P40.9Very low47.6Very low138 Ų138122.9 Ų122.990%0.89671%0.713SS**  trans-65.4113.6-172.126.1-35000112.7
1014R59.4Low48.1Very low204 Ų204122.7 Ų122.777%0.7771%0.711SS**  trans-74.7142.5159.5173.5174.6159.6159.2-6109.1G1012 D1017G1012-R1014 PolarHBondContact O-N 3.01Å; G1012-R1014 VanDerWaalsContact O-N 3.13Å; R1014-D1017 IonicContact CZ-OD2 3.61Å; R1014-D1017 IonicContact NE-OD2 3.56Å; R1014-D1017 IonicContact NH2-OD2 2.8Å; R1014-D1017 PolarHBondContact NH2-OD2 3.45Å
1015G47.7Very low48.8Very low54 Ų54119.8 Ų119.856%0.55771%0.711SS**  trans-62.6162.7-178.900000114.5D1017G1015-D1017 PolarHBondContact O-N 3.11Å
1016P41.5Very low48.4Very low135 Ų135117.5 Ų117.588%0.87771%0.712SS**  trans-76.9111.8-165.229.7-35.7000114
1017D51.2Low48.6Very low120 Ų120119.3 Ų119.364%0.64273%0.73SS**  trans-84.6141.8158.2-69.4-50.1000108.9R1014 G1015R1014-D1017 IonicContact CZ-OD2 3.61Å; R1014-D1017 IonicContact NE-OD2 3.56Å; R1014-D1017 IonicContact NH2-OD2 2.8Å; R1014-D1017 PolarHBondContact NH2-OD2 3.45Å; G1015-D1017 PolarHBondContact O-N 3.11Å
1018G44.2Very low48.5Very low64 Ų64119.6 Ų119.666%0.6674%0.74SS**  trans-81.7157.7-161.700000117.7P1020G1018-P1020 VanDerWaalsContact O-CD 3.23Å; G1018-P1020 WeakPolarHBondContact O-CD 3.47Å
1019N37.3Very low48.1Very low106 Ų106114 Ų11457%0.56774%0.738SS**  trans-75.1105.5-163.3-53-27.9000117.5F1076N1019-F1076 CarbonylContact C-O 3.57Å; N1019-F1076 HydrophobicContact CB-CB 4.27Å; N1019-F1076 HydrophobicContact CB-CD2 3.98Å; N1019-F1076 HydrophobicContact CB-CG 4.46Å; N1019-F1076 CarbonylContact O-C 3.16Å; N1019-F1076 WeakPolarHBondContact O-CA 3.48Å; N1019-F1076 VanDerWaalsContact O-CB 3.29Å; N1019-F1076 WeakPolarHBondContact O-CB 3.33Å; N1019-F1076 PolarHBondContact O-N 3.18Å
1020P53.6Low47.7Very low113 Ų113114.6 Ų114.673%0.73474%0.744SS**  trans-67.9168.8166.2-14.132.7000112G1018G1018-P1020 VanDerWaalsContact O-CD 3.23Å; G1018-P1020 WeakPolarHBondContact O-CD 3.47Å
1021G42.6Very low47.9Very low49 Ų49114 Ų11451%0.50575%0.751SS.*  trans-62.5150.2-168.600000117.8Q1023 D1074G1021-Q1023 PolarHBondContact O-N 2.73Å; G1021-D1074 WeakPolarHBondContact CA-OD1 3.48Å
1022I49.5Very low47.4Very low134 Ų134114.7 Ų114.769%0.68775%0.751SS**  trans-90.167.8178.2-38.3173.6000110.9G1024 D1074I1022-G1024 PolarHBondContact O-N 3.09Å; I1022-D1074 VanDerWaalsContact C-OD1 3.25Å; I1022-D1074 VanDerWaalsContact CA-OD1 3.28Å; I1022-D1074 WeakPolarHBondContact CA-OD1 3.36Å; I1022-D1074 PolarHBondContact N-OD1 2.83Å
1023Q54Low47.7Very low182 Ų182114.3 Ų114.385%0.8575%0.747SS**PPolyproline II helixtrans-46.3116.7177.1-17617931.800112.4G1021G1021-Q1023 PolarHBondContact O-N 2.73Å
1024G49.3Very low47.9Very low55 Ų55113.6 Ų113.657%0.56774%0.743SS**PPolyproline II helixtrans-62142.4-16800000115.5I1022I1022-G1024 PolarHBondContact O-N 3.09Å
1025P56.7Low47.7Very low125 Ų125110.1 Ų110.181%0.81275%0.746SS**PPolyproline II helixtrans-73.5136.7-174.728.8-35000113.3
1026P50.9Low47.6Very low130 Ų130111.2 Ų111.284%0.84476%0.757SS**PPolyproline II helixtrans-63.7139.8173.7-23.134.3000113.5
1027G43Very low47.8Very low84 Ų84110.8 Ų110.887%0.86676%0.757SS**PPolyproline II helixtrans-79.3147.7179.900000114.3
1028A46.1Very low47.9Very low96 Ų96116.8 Ų116.879%0.79377%0.771SS**  trans-135.9121.4176.600000112.5
1029S48.3Very low48.2Very low122 Ų122116.4 Ų116.485%0.85377%0.768SS**  trans31.2103.6156.6-580000119.7
1030G39.7Very low48.7Very low85 Ų85117.4 Ų117.488%0.87678%0.78SS**PPolyproline II helixtrans-70.4151.7168.300000114.1
1031V46.9Very low48.7Very low148 Ų148115.6 Ų115.690%0.89777%0.767SS**PPolyproline II helixtrans-89.2138.2177.2-170.30000110.5G1033V1031-G1033 PolarHBondContact O-N 3.47Å
1032K46Very low48.9Very low203 Ų203114.1 Ų114.188%0.88375%0.751SS**PPolyproline II helixtrans-54.9116.6-175.6-178.4-179.9179.1-1790113
1033G52.7Low48.8Very low54 Ų54112.9 Ų112.956%0.55775%0.752SS**PPolyproline II helixtrans-68.4163.6172.500000113.8V1031V1031-G1033 PolarHBondContact O-N 3.47Å
1034P45.8Very low48.9Very low123 Ų123107.5 Ų107.580%0.79973%0.732SS**PPolyproline II helixtrans-66.5153177.629.1-35.1000111.7G1036P1034-G1036 PolarHBondContact O-N 2.71Å
1035P53.9Low48.7Very low131 Ų131106 Ų10685%0.85172%0.716SS**PPolyproline II helixtrans-59.1125.7174.7-22.233.8000111.4
1036G46.9Very low48Very low76 Ų76108.2 Ų108.278%0.78472%0.718SS**PPolyproline II helixtrans-69.1140.6-177.900000112.9P1034P1034-G1036 PolarHBondContact O-N 2.71Å
1037S45.5Very low47.8Very low126 Ų126113.8 Ų113.888%0.88172%0.722SS**PPolyproline II helixtrans-65.4135.216740.80000110.4G1039S1037-G1039 PolarHBondContact O-N 3.49Å
1038R53.4Low48Very low246 Ų246112.5 Ų112.593%0.92871%0.708SS**  trans-72.1112.8-179.1177.1178.9175.7179.6-2.4109.9
1039G50.4Low47.7Very low57 Ų57113.8 Ų113.859%0.58871%0.709SS**  trans-63.5152.3172.200000112.7S1037S1037-G1039 PolarHBondContact O-N 3.49Å
1040P47Very low47.7Very low127 Ų127114.2 Ų114.283%0.82571%0.709SS**  trans-78.1167.6-17933.4-36.7000113.2
1041V54.9Low48Very low75 Ų75113.6 Ų113.646%0.45570%0.702SS.*  trans-115132.5163.9-139.60000105.4I1502 Y1503 D1504V1041-I1502 HydrophobicContact CG1-CG2 4Å; V1041-I1502 CarbonylContact O-C 3.45Å; V1041-Y1503 CarbonylContact O-C 2.73Å; V1041-Y1503 WeakPolarHBondContact O-CA 2.95Å; V1041-Y1503 PolarHBondContact O-N 3.32Å; V1041-Y1503 VanDerWaalsContact O-O 3.09Å; V1041-D1504 PolarHBondContact O-N 2.96Å
1042G46.7Very low47.5Very low17 Ų17115.1 Ų115.118%0.17570%0.704CS.*  trans-119.5-144.9-161.300000118.2T1044 N1501 I1502 Y1503G1042-T1044 PolarHBondContact O-N 2.84Å; G1042-N1501 VanDerWaalsContact C-CB 3.41Å; G1042-N1501 VanDerWaalsContact CA-CG 3.42Å; G1042-N1501 WeakPolarHBondContact CA-OD1 3.44Å; G1042-N1501 PolarHBondContact N-OD1 3.12Å; G1042-N1501 CarbonylContact O-C 3.29Å; G1042-N1501 WeakPolarHBondContact O-CB 3.23Å; G1042-I1502 CarbonylContact O-C 3.51Å; G1042-I1502 VanDerWaalsContact O-C 3.24Å; G1042-I1502 WeakPolarHBondContact O-CA 3.33Å; G1042-I1502 PolarHBondContact O-N 2.9Å; G1042-Y1503 PolarHBondContact O-N 3.32Å
1043P47.6Very low47.4Very low108 Ų108113.9 Ų113.970%0.70171%0.705SS**SBendtrans-66.5128.3179.2-2335.3000114.7N1501P1043-N1501 WeakPolarHBondContact O-CB 3.44Å
1044T54.5Low47Very low70 Ų70114.3 Ų114.343%0.42971%0.71SS.*  trans-92.2169.5-159.9-160.40000117.3G1042 N1501G1042-T1044 PolarHBondContact O-N 2.84Å; T1044-N1501 WeakPolarHBondContact CA-O 3.47Å; T1044-N1501 WeakPolarHBondContact CB-O 3.43Å; T1044-N1501 PolarHBondContact OG1-O 2.87Å
1045G45.7Very low46.7Very low24 Ų24117.4 Ų117.425%0.24771%0.714CS.*  trans-95.7110-166.600000116.8
1046M41.1Very low46.6Very low171 Ų171117.4 Ų117.484%0.84271%0.714SS**PPolyproline II helixtrans-93.9151.9170.6-69.2-177.26800113
1047R48Very low46.7Very low247 Ų247116.8 Ų116.893%0.93271%0.708SS**PPolyproline II helixtrans-82.5122.4-176.7-178.3-177.2-176.3-1763.3111.8
1048G47.3Very low46.9Very low56 Ų56116.6 Ų116.658%0.57770%0.703SS**PPolyproline II helixtrans-71.1156.8171.900000113.8
1049P40.4Very low47.2Very low123 Ų123111.2 Ų111.280%0.79970%0.7SS**PPolyproline II helixtrans-74.1156.9177.732-35.4000112.2G1051P1049-G1051 PolarHBondContact O-N 3.47Å
1050P47.5Very low47.2Very low132 Ų132112 Ų11286%0.85771%0.708SS**PPolyproline II helixtrans-65122.6179.3-2133.7000113
1051G46.6Very low47.1Very low72 Ų72116 Ų11674%0.74271%0.713SS**PPolyproline II helixtrans-75.7156.9169.400000112.8P1049P1049-G1051 PolarHBondContact O-N 3.47Å
1052L35.9Very low47.2Very low179 Ų179121.5 Ų121.594%0.93773%0.734SS**PPolyproline II helixtrans-71.8152-178.3-70166000112.5G1054L1052-G1054 PolarHBondContact O-N 3.08Å; L1052-G1054 VanDerWaalsContact O-N 3.16Å
1053I43.5Very low47.4Very low177 Ų177123.8 Ų123.891%0.90876%0.757SS**  trans-67.4111-179.8-64.9172.9000110.4
1054G44.2Very low47Very low64 Ų64124.2 Ų124.266%0.6676%0.762SS**PPolyproline II helixtrans-84.4161165.500000112.4L1052L1052-G1054 PolarHBondContact O-N 3.08Å; L1052-G1054 VanDerWaalsContact O-N 3.16Å
1055Q39.1Very low46.7Very low188 Ų188129.9 Ų129.988%0.87978%0.784SS**PPolyproline II helixtrans-76.1155.1-174.3-63.5-179.88.500112.8G1057Q1055-G1057 PolarHBondContact O-N 3.26Å
1056P53.4Low46.9Very low131 Ų131131.4 Ų131.485%0.85180%0.8SS**PPolyproline II helixtrans-59129.9177.5-23.534.3000112.8
1057G48.8Very low46.9Very low63 Ų63135 Ų13565%0.64980%0.804SS**PPolyproline II helixtrans-69.9153.9175.400000112.9Q1055Q1055-G1057 PolarHBondContact O-N 3.26Å
1058P48Very low47.4Very low121 Ų121129 Ų12979%0.78680%0.797SS**PPolyproline II helixtrans-64.2149.8175.628-34.7000111.4G1060P1058-G1060 PolarHBondContact O-N 2.77Å
1059P60.6Low47.4Very low133 Ų133129.4 Ų129.486%0.86480%0.802SS**PPolyproline II helixtrans-54.1132.5-179.1-28.135.8000113.2
1060G51.5Low47.4Very low74 Ų74133.4 Ų133.476%0.76381%0.806SS**PPolyproline II helixtrans-63.2139.7-174.700000113.1P1058P1058-G1060 PolarHBondContact O-N 2.77Å
1061K44.3Very low48Very low210 Ų210133 Ų13391%0.91380%0.804SS**PPolyproline II helixtrans-63.9136.4167.4-71.6-174.6177.4-179.50109.2G1063K1061-G1063 PolarHBondContact O-N 2.93Å
1062Q56.1Low47.9Very low192 Ų192132.7 Ų132.790%0.89780%0.8SS**PPolyproline II helixtrans-49.8128.6-177.5-178.5174.8-17.200111.5
1063G51Low48.4Very low64 Ų64129.5 Ų129.566%0.6679%0.791SS**PPolyproline II helixtrans-59.8145.2-175.800000112.6K1061 Q1065K1061-G1063 PolarHBondContact O-N 2.93Å; G1063-Q1065 PolarHBondContact O-N 2.91Å; G1063-Q1065 VanDerWaalsContact O-N 3.12Å
1064S39.6Very low48.4Very low117 Ų117126 Ų12682%0.81877%0.774SS**  trans-56.9116176.953.60000110.7G1066S1064-G1066 PolarHBondContact O-N 2.89Å; S1064-G1066 VanDerWaalsContact O-N 3.09Å
1065Q49.3Very low48.1Very low189 Ų189125.4 Ų125.488%0.88377%0.767SS**PPolyproline II helixtrans-57117.3168.7-176.6172-9.300108G1063G1063-Q1065 PolarHBondContact O-N 2.91Å; G1063-Q1065 VanDerWaalsContact O-N 3.12Å
1066G48Very low48.5Very low57 Ų57123.6 Ų123.659%0.58876%0.757SS**PPolyproline II helixtrans-57.7142.1-171.700000111.7S1064 P1068S1064-G1066 PolarHBondContact O-N 2.89Å; S1064-G1066 VanDerWaalsContact O-N 3.09Å; G1066-P1068 VanDerWaalsContact O-CD 3.28Å; G1066-P1068 WeakPolarHBondContact O-CD 3.41Å; G1066-P1068 VanDerWaalsContact O-N 3.1Å
1067R42.8Very low48.4Very low247 Ų247126.8 Ų126.893%0.93276%0.76SS**PPolyproline II helixtrans-50.7118.8173.3-73.5-177.1174.1-176.7-2.5108.5G1069R1067-G1069 PolarHBondContact O-N 2.72Å
1068P57.2Low48.3Very low120 Ų120127.1 Ų127.178%0.77976%0.764SS**PPolyproline II helixtrans-55.1137.6175.5-26.435.9000110.1G1066G1066-P1068 VanDerWaalsContact O-CD 3.28Å; G1066-P1068 WeakPolarHBondContact O-CD 3.41Å; G1066-P1068 VanDerWaalsContact O-N 3.1Å
1069G46.8Very low47.9Very low65 Ų65131.7 Ų131.767%0.6777%0.771SS**PPolyproline II helixtrans-57.9141.6178.900000110.8R1067 P1071R1067-G1069 PolarHBondContact O-N 2.72Å; G1069-P1071 VanDerWaalsContact O-CD 3.28Å; G1069-P1071 WeakPolarHBondContact O-CD 3.45Å; G1069-P1071 VanDerWaalsContact O-N 3.15Å
1070K40.9Very low47.8Very low207 Ų207136.9 Ų136.990%0.977%0.774SS**PPolyproline II helixtrans-52.2120.4177.8-69.8-173.9176.3-173.80109.5
1071P61.4Low47.8Very low123 Ų123136 Ų13680%0.79976%0.764SS**PPolyproline II helixtrans-59.1144.6168.4-22.634.8000110.2G1069G1069-P1071 VanDerWaalsContact O-CD 3.28Å; G1069-P1071 WeakPolarHBondContact O-CD 3.45Å; G1069-P1071 VanDerWaalsContact O-N 3.15Å
1072G43.4Very low48Very low65 Ų65131.9 Ų131.967%0.6776%0.759SS**PPolyproline II helixtrans-68.6150170.900000111.1D1074G1072-D1074 PolarHBondContact O-N 2.84Å
1073P46.6Very low48.2Very low113 Ų113128.9 Ų128.973%0.73476%0.756SS**PPolyproline II helixtrans-76.9117.2178.430.7-32.8000111.4
1074D43Very low48.1Very low103 Ų103129.1 Ų129.155%0.55176%0.759SS**  trans-166.4127.7167.6-92-21.1000107.6G1021 I1022 G1072G1021-D1074 WeakPolarHBondContact CA-OD1 3.48Å; I1022-D1074 VanDerWaalsContact C-OD1 3.25Å; I1022-D1074 VanDerWaalsContact CA-OD1 3.28Å; I1022-D1074 WeakPolarHBondContact CA-OD1 3.36Å; I1022-D1074 PolarHBondContact N-OD1 2.83Å; G1072-D1074 PolarHBondContact O-N 2.84Å
1075G38.8Very low48.4Very low51 Ų51133.1 Ų133.153%0.52677%0.765SS.*  cis-153-179.2-14.800000108.2
1076F46.6Very low48.8Very low151 Ų151132.2 Ų132.266%0.66276%0.764SS**  trans-91.7133.1-178.5-64.6-104.9000112.7N1019N1019-F1076 CarbonylContact C-O 3.57Å; N1019-F1076 HydrophobicContact CB-CB 4.27Å; N1019-F1076 HydrophobicContact CB-CD2 3.98Å; N1019-F1076 HydrophobicContact CB-CG 4.46Å; N1019-F1076 CarbonylContact O-C 3.16Å; N1019-F1076 WeakPolarHBondContact O-CA 3.48Å; N1019-F1076 VanDerWaalsContact O-CB 3.29Å; N1019-F1076 WeakPolarHBondContact O-CB 3.33Å; N1019-F1076 PolarHBondContact O-N 3.18Å
1077E52.5Low48.9Very low197 Ų197132.6 Ų132.692%0.92177%0.768SS**  trans-147.4138162.3-164.3176.5174.900111.7
1078G45.8Very low49.1Very low70 Ų70125.5 Ų125.572%0.72276%0.762SS**  trans69.292.6159.600000118.7R1080G1078-R1080 PolarHBondContact O-N 2.57Å; G1078-R1080 VanDerWaalsContact O-N 3.12Å
1079K39.5Very low49.2Very low218 Ų218125.8 Ų125.895%0.94876%0.764SS**  trans-63111.2161.8-72.9-174.9178-179.20110.2
1080R58.3Low49.5Very low241 Ų241126.3 Ų126.391%0.90977%0.769SS**PPolyproline II helixtrans-75.4138.3169.1-174.9173.1-70.9-153.5-1.3109.7G1078G1078-R1080 PolarHBondContact O-N 2.57Å; G1078-R1080 VanDerWaalsContact O-N 3.12Å
1081G51.2Low49.9Very low55 Ų55123.1 Ų123.157%0.56777%0.767SS**PPolyproline II helixtrans-65.2165.9-178.800000114.3
1082P50.3Low49.6Very low124 Ų124122.7 Ų122.781%0.80576%0.764SS**PPolyproline II helixtrans-60.9148.2-17725.5-34.5000112.3
1083P59.1Low50.4Low129 Ų129123.3 Ų123.384%0.83877%0.77SS**PPolyproline II helixtrans-59.9145.7177.8-23.434.4000113.1
1084G49.8Very low50.1Low70 Ų70125.6 Ų125.672%0.72278%0.777SS**PPolyproline II helixtrans-71.2152.6173.500000112.7
1085E45.2Very low50.1Low200 Ų200129.7 Ų129.794%0.93579%0.79SS**PPolyproline II helixtrans-65.3149.7-177.6-61.5-177136.700112.9
1086I58.2Low50.8Low170 Ų170130.8 Ų130.887%0.87280%0.801SS**PPolyproline II helixtrans-80128.1-175.3-63.2172.4000110
1087G50.2Low51Low65 Ų65128.3 Ų128.367%0.6780%0.8SS**PPolyproline II helixtrans-64.2147.3177.100000113.6
1088A46.2Very low50.6Low98 Ų98125.8 Ų125.881%0.8180%0.798SS**PPolyproline II helixtrans-62.6146-174.500000113.6
1089P59.5Low50.7Low127 Ų127126 Ų12683%0.82580%0.8SS**PPolyproline II helixtrans-63.5145.2-179.7-23.234.4000114.4
1090G53Low50.9Low75 Ų75123 Ų12377%0.77379%0.794SS**PPolyproline II helixtrans-73.4148174.100000113.6
1091V50.1Low50.1Low141 Ų141121.3 Ų121.386%0.85580%0.797SS**PPolyproline II helixtrans-76.3142.4-177.7-174.70000111.1
1092P55.3Low49.4Very low114 Ų114122.1 Ų122.174%0.7481%0.805SS**PPolyproline II helixtrans-68.8151.6-168.3-23.135.3000116.7
1093G58.9Low49.1Very low77 Ų77125.3 Ų125.379%0.79481%0.809SS**PPolyproline II helixtrans-88.3150.9170.700000113.6
1094N41.2Very low48.6Very low162 Ų162124.9 Ų124.987%0.86681%0.806SS**PPolyproline II helixtrans-102.4120.7-171.4-83.8-60000114.9
1095K43.5Very low48Very low189 Ų189125.2 Ų125.282%0.82281%0.81SS**  trans59.1126.7140.8-166177.8-174.6177.90121.2
1096G53.3Low47.7Very low74 Ų74122.2 Ų122.276%0.76381%0.81SS**  trans-147.5130.5149.400000109.8
1097P49Very low46.8Very low98 Ų98121.4 Ų121.464%0.63680%0.797SS**  trans-117.7154.3-173.640.7-31.8000116
1098V45.6Very low46.1Very low145 Ų145121.8 Ų121.888%0.87980%0.8SS**  trans74.7134.7165.8-1760000118.1
1099G46.4Very low45.5Very low75 Ų75122.1 Ų122.177%0.77380%0.803SS**  trans171.184167.500000111.5
1100D44.4Very low44.7Very low155 Ų155122.2 Ų122.283%0.82981%0.807SS**  trans-100.5168.9178.2-71.8-60.6000112.5
1101E41.4Very low44Very low205 Ų205122.2 Ų122.296%0.95881%0.807SS**  trans76.8127.1174-158.7168.2-132.200116.1
1102G38Very low43.2Very low71 Ų71123.7 Ų123.773%0.73281%0.81SS**  cis-173.3179.1-2.800000113.8
1103E43.8Very low42.5Very low191 Ų191126.4 Ų126.489%0.89382%0.815SS**  trans-88.4-177.7173.1-69.8-155.1129.200111.9
1104P48.5Very low41.3Very low121 Ų121126 Ų12679%0.78681%0.811SS**  cis-148.1-179.211.544.7-24.5000120
1105G36.9Very low41Very low77 Ų77126.3 Ų126.379%0.79481%0.811SS**  trans115.6149.8147.800000117.8
1106S38.6Very low40.8Very low136 Ų136124.1 Ų124.195%0.95181%0.814SS**  cis-157.6-161.4-9.966.40000111.7
1107R38.8Very low40.2Very low154 Ų154123.7 Ų123.758%0.58181%0.81SS**  trans-121.4150.7-146.4-169.1-151-166.8165.50.8118.3D765D765-R1107 VanDerWaalsContact C-CZ 3.45Å; D765-R1107 WeakPolarHBondContact O-CD 3.44Å; D765-R1107 PolarHBondContact O-NE 2.87Å; D765-R1107 VanDerWaalsContact O-NE 3.14Å; D765-R1107 PolarHBondContact O-NH1 3.48Å; D765-R1107 IonicContact OD2-CZ 2.71Å; D765-R1107 IonicContact OD2-NH1 2.71Å; D765-R1107 PolarHBondContact OD2-NH1 3.17Å; D765-R1107 IonicContact OD2-NH2 3.67Å; D765-R1107 PolarHBondContact OD2-NH2 2.83Å
1108G35.1Very low39.8Very low72 Ų72124.7 Ų124.774%0.74282%0.816SS**  trans160.7148.715000000113.9
1109A35.3Very low40.2Very low106 Ų106123.1 Ų123.188%0.87681%0.809SS**  cis-156-178.8-900000109.8
1110S41.4Very low40.3Very low129 Ų129122.9 Ų122.990%0.90281%0.807SS**  trans-121.3157.9-158.2-56.50000119.2
1111G39.2Very low40Very low75 Ų75123.6 Ų123.677%0.77381%0.81SS**  trans172.5162.7164.800000110.2
1112N33.5Very low40.5Very low171 Ų171117.6 Ų117.691%0.91480%0.804SS**  cis-154.9-178.5-10.2-162.73.8000109.7
1113M39.2Very low41.1Very low172 Ų172117.3 Ų117.385%0.84780%0.801SS**  trans-102.5152.5-166.6-167.9-175.6-62.800116
1114G35.4Very low41.1Very low69 Ų69113.8 Ų113.871%0.71180%0.795SS**  trans-162.2147164.400000111.4
1115L33.2Very low41.4Very low167 Ų167114.1 Ų114.187%0.87480%0.797SS**  trans-100.3148.8-165.2-58.7111.6000115.2
1116T40.8Very low42Very low143 Ų143114 Ų11488%0.87780%0.795SS**  trans-150.9131.8165.4-53.20000112.8
1117G40.1Very low42.3Very low65 Ų65115.4 Ų115.467%0.6779%0.791SS**  trans83.2136.1146.700000119.5
1118P39.9Very low43.2Very low119 Ų119113.9 Ų113.977%0.77380%0.801SS**PPolyproline II helixtrans-77.4157.3160.934.3-33.4000111.2
1119P54.6Low43.8Very low112 Ų112114 Ų11473%0.72780%0.802SS**PPolyproline II helixtrans-65.7139.5172.2-17.231.5000111.4
1120G47.6Very low44.6Very low71 Ų71116.6 Ų116.673%0.73280%0.8SS**PPolyproline II helixtrans-82.8162.7169.100000112.2
1121D39.7Very low45.7Very low169 Ų169116.1 Ų116.190%0.90479%0.794SS**PPolyproline II helixtrans-61.3147.3179.9-60-70.4000112.8G1123D1121-G1123 PolarHBondContact O-N 3.11Å
1122G50.5Low46.2Very low80 Ų80116.2 Ų116.283%0.82580%0.795SS**PPolyproline II helixtrans-67.3119.8-179.500000111.4
1123G51.7Low46.9Very low65 Ų65113.8 Ų113.867%0.6779%0.791SS**PPolyproline II helixtrans-58.4150.4170.400000111.6D1121D1121-G1123 PolarHBondContact O-N 3.11Å
1124P42.7Very low47.7Very low117 Ų117117.4 Ų117.476%0.7680%0.795SS**PPolyproline II helixtrans-59.8150.3-179.826-34.8000111.1G1126P1124-G1126 PolarHBondContact O-N 2.71Å
1125P55.6Low48.5Very low128 Ų128117.2 Ų117.283%0.83179%0.794SS**PPolyproline II helixtrans-53.4131.2175.3-25.634.7000111.3L1127P1125-L1127 PolarHBondContact O-N 3.36Å
1126G48.6Very low49.5Very low74 Ų74116.1 Ų116.176%0.76379%0.794SS**PPolyproline II helixtrans-58.3138179.200000111.7P1124P1124-G1126 PolarHBondContact O-N 2.71Å
1127L46Very low50.2Low165 Ų165118.4 Ų118.486%0.86480%0.795SS**PPolyproline II helixtrans-54.6140.6178.2-68.3170.4000110.8P1125 G1129P1125-L1127 PolarHBondContact O-N 3.36Å; L1127-G1129 PolarHBondContact O-N 2.71Å
1128P56.9Low51.1Low122 Ų122117.9 Ų117.979%0.79279%0.79SS**PPolyproline II helixtrans-54.8135.9173.5-25.334.7000111.4I1130P1128-I1130 PolarHBondContact O-N 2.6Å
1129G47Very low51.8Low74 Ų74118.1 Ų118.176%0.76379%0.791SS**PPolyproline II helixtrans-57.5134.6-178.800000112.2L1127L1127-G1129 PolarHBondContact O-N 2.71Å
1130I54.1Low51.9Low162 Ų162119 Ų11983%0.83180%0.796SS**PPolyproline II helixtrans-52.4128.8-178.9-54.3169.4000109.5P1128 G1132P1128-I1130 PolarHBondContact O-N 2.6Å; I1130-G1132 PolarHBondContact O-N 2.89Å
1131P62.8Low52.2Low118 Ų118119 Ų11977%0.76680%0.796SS**PPolyproline II helixtrans-53.8130175.5-27.335.4000111.9S1133P1131-S1133 PolarHBondContact O-N 3.13Å
1132G49.4Very low52.6Low77 Ų77120.3 Ų120.379%0.79480%0.797SS**PPolyproline II helixtrans-54.5138-173.400000113I1130I1130-G1132 PolarHBondContact O-N 2.89Å
1133S49.3Very low52.5Low120 Ų120123 Ų12384%0.83980%0.798SS**PPolyproline II helixtrans-58.5138.3-175.8480000112P1131 G1135P1131-S1133 PolarHBondContact O-N 3.13Å; S1133-G1135 PolarHBondContact O-N 3.39Å
1134R55.2Low52.4Low248 Ų248123.2 Ų123.294%0.93680%0.8SS**PPolyproline II helixtrans-58.1119.2179.6-178.4177.5-178.7168.5-0.3109.8
1135G53.5Low52.6Low66 Ų66125.9 Ų125.968%0.6881%0.807SS**PPolyproline II helixtrans-53.8145.5-178.100000113.2S1133S1133-G1135 PolarHBondContact O-N 3.39Å
1136T52.9Low51.9Low143 Ų143128.8 Ų128.888%0.87781%0.806SS**PPolyproline II helixtrans-61.3143.2-178.940.70000111.8G1138T1136-G1138 PolarHBondContact O-N 3.06Å
1137Q56Low52.1Low192 Ų192128.5 Ų128.590%0.89780%0.803SS**PPolyproline II helixtrans-66.4127.9173.5-174.3170.6000109.2
1138G59.7Low52.1Low54 Ų54129.4 Ų129.456%0.55780%0.803SS**PPolyproline II helixtrans-60154.5178.800000112.6T1136T1136-G1138 PolarHBondContact O-N 3.06Å
1139P53.9Low51.5Low124 Ų124128.3 Ų128.381%0.80580%0.804SS**PPolyproline II helixtrans-59.5145.7-176.825.3-34.6000111.4G1141P1139-G1141 PolarHBondContact O-N 3.49Å
1140P56.2Low51.7Low129 Ų129128.3 Ų128.384%0.83880%0.804SS**PPolyproline II helixtrans-55.6126.7174.5-24.634.4000111.1
1141G54.4Low51.4Low71 Ų71128.7 Ų128.773%0.73281%0.807SS**PPolyproline II helixtrans-62146.2177.600000112P1139P1139-G1141 PolarHBondContact O-N 3.49Å
1142E48Very low50.9Low198 Ų198128.9 Ų128.993%0.92581%0.808SS**PPolyproline II helixtrans-58.8145.7-177.5-64.7-171.4127.400112.5G1144E1142-G1144 PolarHBondContact O-N 3.27Å
1143V48.5Very low50.9Low137 Ų137128.7 Ų128.783%0.8381%0.806SS**  trans-71.797-176.6-178.80000110.1L1145V1143-L1145 PolarHBondContact O-N 2.97Å
1144G50.5Low50.9Low69 Ų69129.5 Ų129.571%0.71181%0.806SS**  trans-56.3126.1170.200000111.2E1142 K1146E1142-G1144 PolarHBondContact O-N 3.27Å; G1144-K1146 PolarHBondContact O-N 3.24Å
1145L46.5Very low51.1Low173 Ų173123.4 Ų123.491%0.90680%0.799SS**  trans-64.3126.6-179.4-73.9170.8000110.9V1143 G1147V1143-L1145 PolarHBondContact O-N 2.97Å; L1145-G1147 PolarHBondContact O-N 3.3Å; L1145-G1147 VanDerWaalsContact O-N 3.12Å
1146K40.8Very low51.1Low188 Ų188123.2 Ų123.282%0.81780%0.797SS**  trans-31104.9178.3-179.4-169.2173.8-166.90114.5G1144G1144-K1146 PolarHBondContact O-N 3.24Å
1147G53.3Low50.7Low68 Ų68122.8 Ų122.870%0.70180%0.796SS**PPolyproline II helixtrans-70.3150.4153.500000110.8L1145L1145-G1147 PolarHBondContact O-N 3.3Å; L1145-G1147 VanDerWaalsContact O-N 3.12Å
1148E46.1Very low50.8Low184 Ų184121.2 Ų121.286%0.8679%0.792SS**PPolyproline II helixtrans-80.8154.9-173.6-60.3-167.2119.500113.3G1150E1148-G1150 PolarHBondContact O-N 2.85Å
1149A43.5Very low50.4Low100 Ų100121.8 Ų121.883%0.82680%0.798SS**PPolyproline II helixtrans-79.9118.5-171.900000112.4
1150G51.5Low50.3Low74 Ų74124.6 Ų124.676%0.76380%0.801SS**PPolyproline II helixtrans-67.6139.1161.900000111.1E1148E1148-G1150 PolarHBondContact O-N 2.85Å
1151L48.3Very low50.8Low170 Ų170124.1 Ų124.189%0.8980%0.798SS**PPolyproline II helixtrans-71.5147.4179.4-70.5168.1000111.6
1152P50.9Low51.1Low122 Ų122123.8 Ų123.879%0.79279%0.794SS**PPolyproline II helixtrans-71.1132.1-170.827.5-35.2000113.6
1153G49.2Very low51.5Low73 Ų73120.8 Ų120.875%0.75379%0.792SS**PPolyproline II helixtrans-77.7149.9169.600000112.9
1154V50.2Low52.2Low137 Ų137122.2 Ų122.283%0.8379%0.791SS**PPolyproline II helixtrans-75.5138.6-172.1-170.30000111.8G1156V1154-G1156 PolarHBondContact O-N 2.83Å
1155P58.4Low52.9Low120 Ų120121.3 Ų121.378%0.77978%0.782SS**PPolyproline II helixtrans-59.2129.9172.7-24.834.9000113.2
1156G53.5Low53.6Low62 Ų62119 Ų11964%0.63978%0.778SS**PPolyproline II helixtrans-73.4153.7172.700000112.9V1154V1154-G1156 PolarHBondContact O-N 2.83Å
1157P46.4Very low54.7Low134 Ų134115.1 Ų115.187%0.8777%0.772SS**PPolyproline II helixtrans-71.2149.5-175.129.2-35.4000113.4G1159P1157-G1159 PolarHBondContact O-N 3.01Å
1158I57.6Low54.8Low158 Ų158115.3 Ų115.381%0.8177%0.774SS**PPolyproline II helixtrans-67.6122-178-64.9170.4000111
1159G51.8Low55.2Low66 Ų66114.9 Ų114.968%0.6878%0.775SS**PPolyproline II helixtrans-71.7131.116300000110.7P1157 P1161P1157-G1159 PolarHBondContact O-N 3.01Å; G1159-P1161 WeakPolarHBondContact O-CD 3.29Å
1160Q50.2Low55.7Low184 Ų184119 Ų11986%0.8678%0.777SS**PPolyproline II helixtrans-70.4129.1-173-65.4177.2-6.900112.3
1161P67.6Low56.3Low119 Ų119118 Ų11877%0.77377%0.767SS**PPolyproline II helixtrans-58.1142.5156.8-20.733.6000110.1G1159G1159-P1161 WeakPolarHBondContact O-CD 3.29Å
1162G60Low56.9Low64 Ų64116.3 Ų116.366%0.6677%0.766SS**PPolyproline II helixtrans-61.1156-178.400000113.2M1164G1162-M1164 PolarHBondContact O-N 2.93Å
1163P57.8Low57.2Low135 Ų135118.1 Ų118.188%0.87777%0.769SS**PPolyproline II helixtrans-60123.7-177.124.7-34000111.2G1165P1163-G1165 PolarHBondContact O-N 2.98Å
1164M62.1Low57.4Low166 Ų166117.4 Ų117.482%0.81876%0.761SS**PPolyproline II helixtrans-57132.6169.6-177.5170.265.500109.3G1162G1162-M1164 PolarHBondContact O-N 2.93Å
1165G64.8Low57.8Low51 Ų51119.9 Ų119.953%0.52676%0.764SS.*PPolyproline II helixtrans-56.9147.7177.200000111.4P1163P1163-G1165 PolarHBondContact O-N 2.98Å
1166P61.8Low58.1Low124 Ų124119.9 Ų119.981%0.80576%0.764SS**PPolyproline II helixtrans-57.9129-177.824.3-33.7000109.9G1168P1166-G1168 PolarHBondContact O-N 3.07Å
1167P62.8Low58.4Low107 Ų107119.9 Ų119.970%0.69576%0.764SS**PPolyproline II helixtrans-54.6136.2173.9-26.134.8000110.7I1169P1167-I1169 PolarHBondContact O-N 3.49Å
1168G56.2Low59.2Low72 Ų72119.2 Ų119.274%0.74276%0.76SS**PPolyproline II helixtrans-57.5133.1169.200000109.4P1166 Q1170P1166-G1168 PolarHBondContact O-N 3.07Å; G1168-Q1170 PolarHBondContact O-N 3.24Å
1169I54Low59.4Low174 Ų174117.6 Ų117.689%0.89276%0.759SS**  trans-59.198.3179.340.1167.8000110.6P1167 G1171P1167-I1169 PolarHBondContact O-N 3.49Å; I1169-G1171 PolarHBondContact O-N 2.97Å
1170Q55.6Low59.6Low186 Ų186117.7 Ų117.787%0.86976%0.76SS**PPolyproline II helixtrans-65.5128.3169.3-166.8167.815.700107.8G1168G1168-Q1170 PolarHBondContact O-N 3.24Å
1171G63.9Low59.7Low53 Ų53116.6 Ų116.655%0.54676%0.76SS.*PPolyproline II helixtrans-59159.3176.700000111.5I1169 L1173I1169-G1171 PolarHBondContact O-N 2.97Å; G1171-L1173 PolarHBondContact O-N 2.87Å
1172P59.3Low59.4Low135 Ų135118.7 Ų118.788%0.87777%0.765SS**PPolyproline II helixtrans-53.6128.7178.223.8-33.8000109.9G1174P1172-G1174 PolarHBondContact O-N 2.89Å; P1172-G1174 VanDerWaalsContact O-N 3.12Å
1173L57.6Low59.3Low161 Ų161118.3 Ų118.384%0.84376%0.761SS**PPolyproline II helixtrans-58.4116.7175-177.667.4000107.9G1171G1171-L1173 PolarHBondContact O-N 2.87Å
1174G54.5Low59.2Low58 Ų58117.7 Ų117.760%0.59876%0.757SS**PPolyproline II helixtrans-58.7139173.300000109.7P1172P1172-G1174 PolarHBondContact O-N 2.89Å; P1172-G1174 VanDerWaalsContact O-N 3.12Å
1175E58.7Low59.3Low189 Ų189115.9 Ų115.988%0.88376%0.758SS**PPolyproline II helixtrans-55.3132.1177.1-64.8-173.5134.300109.5G1177E1175-G1177 PolarHBondContact O-N 2.69Å; E1175-G1177 VanDerWaalsContact O-N 3.14Å
1176P64.5Low58.6Low120 Ų120116.7 Ų116.778%0.77977%0.766SS**PPolyproline II helixtrans-55.6123.5173.1-24.534.2000109.3
1177G59.7Low58.1Low62 Ų62115.5 Ų115.564%0.63977%0.767SS**PPolyproline II helixtrans-54.8145.9172.800000110.1E1175E1175-G1177 PolarHBondContact O-N 2.69Å; E1175-G1177 VanDerWaalsContact O-N 3.14Å
1178P62.8Low57.8Low120 Ų120118.4 Ų118.478%0.77978%0.775SS**PPolyproline II helixtrans-54.6140.9176.624.9-34.1000109.2G1180P1178-G1180 PolarHBondContact O-N 2.86Å; P1178-G1180 VanDerWaalsContact O-N 3.14Å
1179P61.7Low57.2Low123 Ų123117.8 Ų117.880%0.79977%0.768SS**PPolyproline II helixtrans-50.5125.5177.1-27.234.9000110N1181P1179-N1181 PolarHBondContact O-N 3.15Å
1180G56Low57Low68 Ų68115.2 Ų115.270%0.70176%0.756SS**PPolyproline II helixtrans-58.6132.1172.100000108.5P1178 D1182P1178-G1180 PolarHBondContact O-N 2.86Å; P1178-G1180 VanDerWaalsContact O-N 3.14Å; G1180-D1182 PolarHBondContact O-N 2.76Å
1181N52.1Low57Low161 Ų161112.2 Ų112.286%0.86175%0.752SS**PPolyproline II helixtrans-53.8130.4174.2-65.7-37.3000108.6P1179 G1183P1179-N1181 PolarHBondContact O-N 3.15Å; N1181-G1183 PolarHBondContact O-N 3.23Å; N1181-G1183 VanDerWaalsContact O-N 3.15Å
1182D61.8Low55.9Low163 Ų163112.3 Ų112.387%0.87275%0.754SS**PPolyproline II helixtrans-52.3124.4175.8-68.8-55.1000109.3G1180G1180-D1182 PolarHBondContact O-N 2.76Å
1183G56.8Low55.1Low57 Ų57111.6 Ų111.659%0.58875%0.749SS**PPolyproline II helixtrans-58.7146.2173.700000109.6N1181N1181-G1183 PolarHBondContact O-N 3.23Å; N1181-G1183 VanDerWaalsContact O-N 3.15Å
1184P57.1Low54.2Low121 Ų121109.8 Ų109.879%0.78675%0.747SS**PPolyproline II helixtrans-53.4133.8173.224.9-33.7000108.4G1186P1184-G1186 PolarHBondContact O-N 3.03Å; P1184-G1186 VanDerWaalsContact O-N 3.11Å
1185P64Low53.2Low128 Ų128109.5 Ų109.583%0.83174%0.744SS**PPolyproline II helixtrans-50.1124.6179.7-2935.2000109.8A1187P1185-A1187 PolarHBondContact O-N 3.43Å
1186G49.6Very low52.1Low68 Ų68105.2 Ų105.270%0.70172%0.724SS**PPolyproline II helixtrans-52.1138.5177.700000109.4P1184 I1188P1184-G1186 PolarHBondContact O-N 3.03Å; P1184-G1186 VanDerWaalsContact O-N 3.11Å; G1186-I1188 PolarHBondContact O-N 3.06Å
1187A51.3Low50.6Low99 Ų99108.1 Ų108.182%0.81873%0.725SS**PPolyproline II helixtrans-49.5132.7176.500000108.8P1185 G1189P1185-A1187 PolarHBondContact O-N 3.43Å; A1187-G1189 PolarHBondContact O-N 2.83Å
1188I56.7Low49.2Very low169 Ų169113.8 Ų113.887%0.86773%0.732SS**  trans-55.1112.2179.9-62.4174.1000106.4G1186 L1190G1186-I1188 PolarHBondContact O-N 3.06Å; I1188-L1190 PolarHBondContact O-N 2.81Å
1189G44Very low48Very low59 Ų59112.4 Ų112.461%0.60872%0.721SS**  trans-54.6133.2178.800000108.5A1187A1187-G1189 PolarHBondContact O-N 2.83Å
1190L49.6Very low46.9Very low119 Ų119110.5 Ų110.562%0.62370%0.704SS**  trans-47.3134.8170.8-72.7164000108.1D132 I1188 G1192D132-L1190 HydrophobicContact CB-CD1 4.12Å; D132-L1190 VanDerWaalsContact CG-CD1 3.46Å; D132-L1190 WeakPolarHBondContact OD2-CD1 3.46Å; I1188-L1190 PolarHBondContact O-N 2.81Å; L1190-G1192 PolarHBondContact O-N 2.79Å
1191P55.2Low46.1Very low123 Ų123114.5 Ų114.580%0.79970%0.699SS**  trans-52113.7176.9-25.334000108.3
1192G40.8Very low45.5Very low56 Ų56111.8 Ų111.858%0.57769%0.688SS**  trans-53.9143-175.900000109.5L1190 P1194L1190-G1192 PolarHBondContact O-N 2.79Å; G1192-P1194 VanDerWaalsContact O-N 3.17Å
1193P43.3Very low44.7Very low120 Ų120106.2 Ų106.278%0.77966%0.663SS**  trans-48.7128.7-179.821.2-32.9000108.3G1195P1193-G1195 PolarHBondContact O-N 2.97Å
1194P38.2Very low44.2Very low123 Ų123104.8 Ų104.880%0.79964%0.641SS**  trans-57.4111.4-162.421.3-33.5000109.3G1192 E1196G1192-P1194 VanDerWaalsContact O-N 3.17Å; P1194-E1196 PolarHBondContact O-N 2.88Å
1195G34.1Very low43.3Very low52 Ų52105.2 Ų105.254%0.53663%0.631SS.*  trans-51.9111.6-162.700000112P1193 K1198P1193-G1195 PolarHBondContact O-N 2.97Å; G1195-K1198 PolarHBondContact O-N 2.99Å
1196E35.3Very low42Very low98 Ų98102.3 Ų102.346%0.45861%0.614SS.*THydrogen-bonded Turntrans-61.1138.8168-54.8-162.8122.100107.2P1194 H1305 R1307P1194-E1196 PolarHBondContact O-N 2.88Å; E1196-H1305 IonicContact OE1-CE1 3.47Å; E1196-H1305 PolarHBondContact OE1-CE1 2.84Å; E1196-H1305 IonicContact OE1-NE2 3.09Å; E1196-H1305 IonicContact OE2-CE1 3.11Å; E1196-H1305 IonicContact OE2-NE2 3.27Å; E1196-R1307 IonicContact OE1-CZ 3.79Å; E1196-R1307 IonicContact OE1-NE 2.8Å; E1196-R1307 PolarHBondContact OE1-NE 3.23Å; E1196-R1307 IonicContact OE1-NH2 3.83Å; E1196-R1307 PolarHBondContact OE1-NH2 3.37Å
1197F33.1Very low41.1Very low182 Ų182108.4 Ų108.480%0.79862%0.616SS**THydrogen-bonded Turntrans69.139-155.7-48.4-75.1000116.4T1199F1197-T1199 VanDerWaalsContact C-N 3.33Å; F1197-T1199 PolarHBondContact O-N 2.92Å
1198K30.5Very low40.3Very low181 Ų181114 Ų11479%0.78762%0.616SS**  trans-91.667.4149.6-155.9176.7-173.2-175.40111.7G1195 D1200G1195-K1198 PolarHBondContact O-N 2.99Å; K1198-D1200 VanDerWaalsContact C-N 3.34Å; K1198-D1200 PolarHBondContact O-N 3.27Å
1199T37.6Very low39.1Very low91 Ų91117 Ų11756%0.55862%0.616SS**  trans-64.694.816338.20000108.9F1197 Y1201F1197-T1199 VanDerWaalsContact C-N 3.33Å; F1197-T1199 PolarHBondContact O-N 2.92Å; T1199-Y1201 WeakPolarHBondContact O-CD2 3.45Å; T1199-Y1201 PolarHBondContact O-N 3.03Å; T1199-Y1201 WeakPolarHBondContact OG1-CE2 3.43Å
1200D38Very low38.5Very low83 Ų83119.6 Ų119.644%0.44462%0.616SS.*  trans-72.877.1175.4-168.2-8.7000109.6K1198 T1202 S1203K1198-D1200 VanDerWaalsContact C-N 3.34Å; K1198-D1200 PolarHBondContact O-N 3.27Å; D1200-T1202 PolarHBondContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact OD1-CB 3.32Å; D1200-T1202 WeakPolarHBondContact OD1-CB 3.34Å; D1200-T1202 PolarHBondContact OD1-N 3.07Å; D1200-T1202 PolarHBondContact OD1-OG1 2.85Å; D1200-S1203 VanDerWaalsContact O-CB 3.28Å; D1200-S1203 WeakPolarHBondContact O-CB 3.27Å; D1200-S1203 PolarHBondContact O-N 3.42Å; D1200-S1203 PolarHBondContact O-OG 3.18Å; D1200-S1203 PolarHBondContact OD1-N 2.79Å
1201Y38.3Very low37.5Very low152 Ų152120.2 Ų120.260%0.59663%0.625SS**G310 helixtrans-56-28.3178-78.8-83.8000112.1T1199 S1203 L1204 F1205T1199-Y1201 WeakPolarHBondContact O-CD2 3.45Å; T1199-Y1201 PolarHBondContact O-N 3.03Å; T1199-Y1201 WeakPolarHBondContact OG1-CE2 3.43Å; Y1201-S1203 PolarHBondContact O-N 3.12Å; Y1201-L1204 HydrophobicContact CD1-CD1 3.85Å; Y1201-L1204 WeakPolarHBondContact O-CB 3.42Å; Y1201-L1204 PolarHBondContact O-N 3.27Å; Y1201-F1205 WeakPolarHBondContact O-CD2 3.36Å
1202T41.2Very low36.3Very low103 Ų103122.2 Ų122.263%0.63263%0.629SS**G310 helixtrans-62.4-18.7171.610.50000114D1200 S1206D1200-T1202 PolarHBondContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact O-N 3.15Å; D1200-T1202 VanDerWaalsContact OD1-CB 3.32Å; D1200-T1202 WeakPolarHBondContact OD1-CB 3.34Å; D1200-T1202 PolarHBondContact OD1-N 3.07Å; D1200-T1202 PolarHBondContact OD1-OG1 2.85Å; T1202-S1206 PolarHBondContact O-OG 3.43Å
1203S43.9Very low35.8Very low47 Ų47125.5 Ų125.533%0.32964%0.637SS.*G310 helixtrans-78.4-19.8174.373.20000114.4D1200 Y1201 F1205 S1206D1200-S1203 VanDerWaalsContact O-CB 3.28Å; D1200-S1203 WeakPolarHBondContact O-CB 3.27Å; D1200-S1203 PolarHBondContact O-N 3.42Å; D1200-S1203 PolarHBondContact O-OG 3.18Å; D1200-S1203 PolarHBondContact OD1-N 2.79Å; Y1201-S1203 PolarHBondContact O-N 3.12Å; S1203-F1205 VanDerWaalsContact C-N 3.28Å; S1203-F1205 PolarHBondContact O-N 2.65Å; S1203-S1206 WeakPolarHBondContact O-CB 3.33Å; S1203-S1206 PolarHBondContact O-N 3.5Å
1204L45.5Very low35Very low26 Ų26123.3 Ų123.314%0.13664%0.636CS.*THydrogen-bonded Turntrans-68.9-28.7174.6-64.4163.9000112.1Y1201 S1206 Q1260 V1261Y1201-L1204 HydrophobicContact CD1-CD1 3.85Å; Y1201-L1204 WeakPolarHBondContact O-CB 3.42Å; Y1201-L1204 PolarHBondContact O-N 3.27Å; L1204-S1206 VanDerWaalsContact C-N 3.29Å; L1204-Q1260 HydrophobicContact CD2-CB 3.91Å; L1204-Q1260 PolarHBondContact O-NE2 3.41Å; L1204-Q1260 VanDerWaalsContact O-NE2 3.09Å; L1204-Q1260 PolarHBondContact O-OE1 3.07Å; L1204-V1261 HydrophobicContact CD1-CG2 3.91Å
1205F39.4Very low34.6Very low130 Ų130125.7 Ų125.757%0.5764%0.639SS**THydrogen-bonded Turntrans-898.8175.5-58.6-81.6000112.9Y1201 S1203 A1257Y1201-F1205 WeakPolarHBondContact O-CD2 3.36Å; S1203-F1205 VanDerWaalsContact C-N 3.28Å; S1203-F1205 PolarHBondContact O-N 2.65Å; F1205-A1257 HydrophobicContact CD1-CB 3.78Å; F1205-A1257 HydrophobicContact CE1-CB 3.41Å; F1205-A1257 VanDerWaalsContact CE1-CB 3.41Å; F1205-A1257 HydrophobicContact CZ-CB 3.94Å
1206S36.7Very low34.7Very low68 Ų68130.9 Ų130.948%0.47665%0.651SS.*SBendtrans-108.2111.6176.5-66.10000109.9T1202 S1203 L1204 R1208T1202-S1206 PolarHBondContact O-OG 3.43Å; S1203-S1206 WeakPolarHBondContact O-CB 3.33Å; S1203-S1206 PolarHBondContact O-N 3.5Å; L1204-S1206 VanDerWaalsContact C-N 3.29Å; S1206-R1208 VanDerWaalsContact C-N 3.34Å; S1206-R1208 PolarHBondContact O-N 2.8Å
1207R31.4Very low34.1Very low195 Ų195132.1 Ų132.174%0.73666%0.657SS**  trans-57.784.4-177.8-71.6-175.7176.8-173.5-3.3113.6D1253R1207-D1253 IonicContact CZ-OD1 3.88Å; R1207-D1253 IonicContact NE-OD1 3.04Å; R1207-D1253 PolarHBondContact NE-OD1 3.39Å; R1207-D1253 IonicContact NE-OD2 2.7Å; R1207-D1253 IonicContact NH2-OD1 3.17Å; R1207-D1253 PolarHBondContact NH2-OD1 3.08Å; R1207-D1253 IonicContact NH2-OD2 2.82Å
1208R34.3Very low34Very low218 Ų218127.8 Ų127.882%0.82366%0.655SS**PPolyproline II helixtrans-79.2128158.3-66.9-171178.9-1532.4107.9S1206S1206-R1208 VanDerWaalsContact C-N 3.34Å; S1206-R1208 PolarHBondContact O-N 2.8Å
1209R31.5Very low34Very low232 Ų232127.3 Ų127.388%0.87566%0.661SS**PPolyproline II helixtrans-64.3133.1169.7-66178.7178.8165.80.5108.5T1211R1209-T1211 PolarHBondContact O-N 3.19Å; R1209-T1211 VanDerWaalsContact O-N 3.13Å
1210D30.9Very low33.5Very low113 Ų113131.2 Ų131.260%0.60467%0.673SS**PPolyproline II helixtrans-55.2118.4177.3-64.1-95.5000110.9R1263D1210-R1263 IonicContact OD1-CZ 3.48Å; D1210-R1263 IonicContact OD1-NH1 3.5Å; D1210-R1263 PolarHBondContact OD1-NH1 3.36Å; D1210-R1263 IonicContact OD1-NH2 3.17Å
1211T29Very low33.3Very low131 Ų131132.4 Ų132.480%0.80469%0.685SS**  trans-126.635.2162.162.30000111.5R1209 V1213R1209-T1211 PolarHBondContact O-N 3.19Å; R1209-T1211 VanDerWaalsContact O-N 3.13Å; T1211-V1213 VanDerWaalsContact C-N 3.27Å; T1211-V1213 PolarHBondContact O-N 2.8Å
1212D29.7Very low32.9Very low166 Ų166136.4 Ų136.489%0.88870%0.699SS**  trans-92.963158.1-90.2-48.8000109.7
1213V30.5Very low32.4Very low124 Ų124137.8 Ų137.875%0.75270%0.703SS**  trans-101115.5162.7-176.70000106.2T1211 M1215T1211-V1213 VanDerWaalsContact C-N 3.27Å; T1211-V1213 PolarHBondContact O-N 2.8Å; V1213-M1215 PolarHBondContact O-N 2.58Å
1214G26.7Very low31.8Very low74 Ų74146.6 Ų146.676%0.76373%0.728SS**  trans-56.1132.9-160.600000115.5
1215M28.6Very low31.2Very low173 Ų173148.9 Ų148.985%0.85276%0.758SS**  trans-106.9133.5167.5-64.1-149.7-137.800110.8V1213V1213-M1215 PolarHBondContact O-N 2.58Å
1216M35.7Very low30.9Very low161 Ų161151.6 Ų151.679%0.79377%0.765SS**  cis-143.5146.2-28.6-83.4-164-179.100108
1217Q24.3Very low30.8Very low125 Ų125157.9 Ų157.958%0.58478%0.778SS**  trans-145.576.1159.6-167.1-178.395.400109.3K1293Q1217-K1293 VanDerWaalsContact OE1-CD 3.31Å; Q1217-K1293 VanDerWaalsContact OE1-CE 3.3Å
1218A31Very low30.8Very low90 Ų90156 Ų15674%0.74478%0.781SS**  trans-152.7100-177.300000112.1E1220A1218-E1220 PolarHBondContact O-N 3.17Å
1219D29Very low30.6Very low172 Ų172154.4 Ų154.492%0.9278%0.775SS**  trans-76.4104.7163.6-70.7-65.7000110.4
1220E28.6Very low30.5Very low172 Ų172153.7 Ų153.780%0.80477%0.772SS**  166.6132.8119.5-101.5-114.895.800111.7A1218A1218-E1220 PolarHBondContact O-N 3.17Å
1221P32.1Very low30.5Very low108 Ų108152.8 Ų152.870%0.70178%0.775SS**  trans-100.9126.8-179.135.4-30.5000113.6
1222R31.9Very low30.6Very low237 Ų237156.4 Ų156.489%0.89478%0.775SS**  trans-150.290.2159.9-118.7158.9-168.1-160.93.1118.5
1223N30.1Very low30.8Very low132 Ų132155.3 Ų155.371%0.70677%0.765SS**  92.8126.5123.8-157.62.3000120.3
1224R31.7Very low31.1Very low231 Ų231157.6 Ų157.687%0.87276%0.76SS**  trans79.1119.4174-48177.1-177-174.2-0.5114.4
1225G31.3Very low31.3Very low74 Ų74158.3 Ų158.376%0.76375%0.753SS**  cis109.9133.912.700000110.8
1226R34.9Very low31.6Very low187 Ų187151.9 Ų151.971%0.70672%0.722SS**  cis-157.115118.6-82.1177.4163.7-173.8-1.8113.2
1227R32.8Very low31.5Very low201 Ų201153.3 Ų153.376%0.75873%0.727SS**  trans51.6100.3137.3-62.3-179.5178.7-174-3122.8
1228I32.4Very low32.2Very low154 Ų154153 Ų15379%0.7973%0.73SS**  17.6123121.3-32.8171.1000119.1
1229R30.7Very low32.9Very low185 Ų185156 Ų15670%0.69872%0.723SS**  171.5121.6106.1-96.6-168.3173.7-165.60.1116.1E422E422-R1229 WeakPolarHBondContact OE1-CA 3.35Å; E422-R1229 PolarHBondContact OE1-N 3.46Å
1230R29Very low33.9Very low218 Ų218150.6 Ų150.682%0.82369%0.694SS**  trans48.9138.4135.6-72.6-173.7179.8-177.5-0.9118.3
1231S30.5Very low34.7Very low94 Ų94146.5 Ų146.566%0.65768%0.682SS**  cis-174.2167.430.338.70000111.6
1232Y32.1Very low35.4Very low206 Ų206146.1 Ų146.181%0.80868%0.682SS**  trans31.2139.5150.6-82.1-108.1000119.6
1233E33.9Very low35.9Very low144 Ų144140.7 Ų140.767%0.67367%0.665SS**  cis-161.4-159.849.9-159.7151.4-151.200112G418 G419G418-E1233 CarbonylContact C-O 3.52Å; G418-E1233 WeakPolarHBondContact CA-O 3.45Å; G419-E1233 PolarHBondContact N-O 2.78Å
1234W36.7Very low36.5Very low171 Ų171141.1 Ų141.165%0.64866%0.663SS**  trans-136.1135.1-169-74.347.4000114.3F416 S417 G418F416-W1234 HydrophobicContact CB-CE3 3.54Å; F416-W1234 HydrophobicContact CB-CZ3 3.71Å; F416-W1234 AromaticContact CD1-CE3 3.7Å; F416-W1234 HydrophobicContact CD1-CE3 3.7Å; F416-W1234 AromaticContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CD1-CZ3 3.46Å; F416-W1234 VanDerWaalsContact CD1-CZ3 3.46Å; F416-W1234 HydrophobicContact CE1-CZ3 4.26Å; F416-W1234 AromaticContact CG-CE3 3.97Å; F416-W1234 HydrophobicContact CG-CE3 3.97Å; F416-W1234 AromaticContact CG-CZ3 3.73Å; F416-W1234 HydrophobicContact CG-CZ3 3.73Å; F416-W1234 CarbonylContact O-C 3.58Å; S417-W1234 VanDerWaalsContact CA-CE3 3.49Å; G418-W1234 VanDerWaalsContact N-CA 3.33Å; G418-W1234 CarbonylContact O-C 3.55Å; G418-W1234 VanDerWaalsContact O-CA 3.27Å; G418-W1234 WeakPolarHBondContact O-CA 3.24Å
1235S30.4Very low37.2Very low90 Ų90133.7 Ų133.763%0.62964%0.643SS**  trans-143.7135168.1620000116.3F416 S417 G418F416-S1235 CarbonylContact O-C 3.28Å; F416-S1235 VanDerWaalsContact O-C 3.29Å; F416-S1235 WeakPolarHBondContact O-CA 3.21Å; F416-S1235 PolarHBondContact O-N 3.44Å; S417-S1235 VanDerWaalsContact N-N 3.16Å; S417-S1235 PolarHBondContact N-O 2.72Å; S417-S1235 PolarHBondContact OG-O 3.13Å; G418-S1235 PolarHBondContact O-N 3.47Å
1236D34Very low38.1Very low37 Ų37134 Ų13420%0.19863%0.627CS.*  trans-101.667.3-149-160.311.7000119.8R414 G415 F416 S417R414-D1236 VanDerWaalsContact CG-OD2 3.26Å; R414-D1236 WeakPolarHBondContact CG-OD2 3.38Å; R414-D1236 IonicContact CZ-OD1 2.71Å; R414-D1236 IonicContact CZ-OD2 3.35Å; R414-D1236 VanDerWaalsContact CZ-OD2 3.27Å; R414-D1236 IonicContact NE-OD1 2.65Å; R414-D1236 IonicContact NE-OD2 3.91Å; R414-D1236 PolarHBondContact NE-OD2 3.27Å; R414-D1236 IonicContact NH2-OD1 3.15Å; R414-D1236 PolarHBondContact NH2-OD1 3.1Å; R414-D1236 IonicContact NH2-OD2 2.69Å; R414-D1236 PolarHBondContact NH2-OD2 2.82Å; G415-D1236 WeakPolarHBondContact CA-OD2 3.07Å; F416-D1236 VanDerWaalsContact C-CB 3.44Å; F416-D1236 VanDerWaalsContact N-CB 3.32Å; F416-D1236 PolarHBondContact N-OD2 3.07Å; F416-D1236 WeakPolarHBondContact O-CB 3.09Å; F416-D1236 PolarHBondContact O-N 2.74Å; S417-D1236 WeakPolarHBondContact OG-CA 3.45Å
1237E34.9Very low38.9Very low192 Ų192129.7 Ų129.790%0.89762%0.623SS**  trans-135.170.9179.1-67-165.3147.400115.5
1238D38.8Very low39.7Very low119 Ų119125.1 Ų125.164%0.63661%0.614SS**  trans-150.132.5154.4-155.315.6000113.9D1240 K1243D1238-D1240 PolarHBondContact O-N 3.19Å; D1238-D1240 VanDerWaalsContact O-N 3.16Å; D1238-K1243 IonicContact OD1-NZ 3.5Å; D1238-K1243 PolarHBondContact OD1-NZ 3.47Å; D1238-K1243 VanDerWaalsContact OD1-NZ 3.17Å; D1238-K1243 IonicContact OD2-NZ 2.8Å; D1238-K1243 PolarHBondContact OD2-NZ 3.09Å
1239Y45.4Very low40.7Very low152 Ų152121.4 Ų121.460%0.59660%0.596SS**  trans-8289.7172.1-173.6-90000110.6R414 P1241R414-Y1239 VanDerWaalsContact NH2-CB 3.33Å; Y1239-P1241 HydrophobicContact CD1-CG 4.45Å; Y1239-P1241 HydrophobicContact CE1-CG 4.26Å; Y1239-P1241 WeakPolarHBondContact O-CD 3.37Å
1240D48.9Very low41.7Very low58 Ų58117.7 Ų117.731%0.3159%0.587SS.*  trans-86.6116.9172.3-179.2-7.2000109.8D1238 S1242 K1243D1238-D1240 PolarHBondContact O-N 3.19Å; D1238-D1240 VanDerWaalsContact O-N 3.16Å; D1240-S1242 PolarHBondContact O-N 2.79Å; D1240-S1242 VanDerWaalsContact O-N 3.17Å; D1240-S1242 WeakPolarHBondContact OD1-CA 3.41Å; D1240-S1242 WeakPolarHBondContact OD1-CB 3.44Å; D1240-S1242 PolarHBondContact OD1-N 2.95Å; D1240-S1242 PolarHBondContact OD1-OG 3.04Å; D1240-S1242 PolarHBondContact OD2-OG 2.64Å; D1240-K1243 HydrophobicContact CB-CB 4.22Å; D1240-K1243 HydrophobicContact CB-CD 3.92Å; D1240-K1243 HydrophobicContact CB-CG 3.86Å; D1240-K1243 CarbonylContact O-C 3.41Å; D1240-K1243 WeakPolarHBondContact O-CA 3.48Å; D1240-K1243 WeakPolarHBondContact O-CB 3.36Å; D1240-K1243 PolarHBondContact O-N 3.33Å
1241P46.5Very low42.9Very low86 Ų86112.6 Ų112.656%0.55857%0.572SS**G310 helixtrans-68.2-6.6175.9-18.733000114.3Y1239 E1244Y1239-P1241 HydrophobicContact CD1-CG 4.45Å; Y1239-P1241 HydrophobicContact CE1-CG 4.26Å; Y1239-P1241 WeakPolarHBondContact O-CD 3.37Å; P1241-E1244 WeakPolarHBondContact O-CG 3.47Å; P1241-E1244 PolarHBondContact O-N 2.98Å
1242S46Very low44.1Very low101 Ų101114 Ų11471%0.70657%0.568SS**G310 helixtrans-95.74.1166.565.80000113.6D1240D1240-S1242 PolarHBondContact O-N 2.79Å; D1240-S1242 VanDerWaalsContact O-N 3.17Å; D1240-S1242 WeakPolarHBondContact OD1-CA 3.41Å; D1240-S1242 WeakPolarHBondContact OD1-CB 3.44Å; D1240-S1242 PolarHBondContact OD1-N 2.95Å; D1240-S1242 PolarHBondContact OD1-OG 3.04Å; D1240-S1242 PolarHBondContact OD2-OG 2.64Å
1243K43.5Very low45.8Very low122 Ų122107.3 Ų107.353%0.5355%0.546SS..G310 helixtrans-102.429.8151.2-54.5172.7-160.1157.20110.6D1238 D1240 T1245D1238-K1243 IonicContact OD1-NZ 3.5Å; D1238-K1243 PolarHBondContact OD1-NZ 3.47Å; D1238-K1243 VanDerWaalsContact OD1-NZ 3.17Å; D1238-K1243 IonicContact OD2-NZ 2.8Å; D1238-K1243 PolarHBondContact OD2-NZ 3.09Å; D1240-K1243 HydrophobicContact CB-CB 4.22Å; D1240-K1243 HydrophobicContact CB-CD 3.92Å; D1240-K1243 HydrophobicContact CB-CG 3.86Å; D1240-K1243 CarbonylContact O-C 3.41Å; D1240-K1243 WeakPolarHBondContact O-CA 3.48Å; D1240-K1243 WeakPolarHBondContact O-CB 3.36Å; D1240-K1243 PolarHBondContact O-N 3.33Å; K1243-T1245 PolarHBondContact O-N 2.85Å
1244E42.1Very low47.7Very low142 Ų142104.5 Ų104.566%0.66454%0.535SS*.SBendtrans-52.9132.7142.7-81.2-177.9172.300106.2P1241 D1246P1241-E1244 WeakPolarHBondContact O-CG 3.47Å; P1241-E1244 PolarHBondContact O-N 2.98Å; E1244-D1246 PolarHBondContact O-N 2.05Å
1245T46.4Very low49.5Very low74 Ų74102.2 Ų102.245%0.45453%0.53SS..  trans-44.9130-165.47.10000111.4K1243 D1249 E1250K1243-T1245 PolarHBondContact O-N 2.85Å; T1245-D1249 HydrophobicContact CG2-CB 4.02Å; T1245-E1250 WeakPolarHBondContact CB-OE1 3.15Å; T1245-E1250 HydrophobicContact CG2-CG 3.96Å; T1245-E1250 PolarHBondContact OG1-OE1 3.34Å
1246D50.7Low51.5Low80 Ų80100.3 Ų100.343%0.42851%0.511SS..  trans-55.9131.8163.6-169.1-41.1000105.5E1244 N1248 D1249 E1250E1244-D1246 PolarHBondContact O-N 2.05Å; D1246-N1248 PolarHBondContact O-N 2.94Å; D1246-N1248 WeakPolarHBondContact OD1-CB 3.45Å; D1246-N1248 PolarHBondContact OD1-N 3.12Å; D1246-N1248 PolarHBondContact OD1-ND2 2.94Å; D1246-D1249 HydrophobicContact CB-CB 4.32Å; D1246-D1249 WeakPolarHBondContact CB-OD2 3.4Å; D1246-D1249 PolarHBondContact N-OD2 3.19Å; D1246-D1249 WeakPolarHBondContact O-CA 3.21Å; D1246-D1249 WeakPolarHBondContact O-CB 3.35Å; D1246-D1249 PolarHBondContact O-N 2.8Å; D1246-E1250 PolarHBondContact O-N 3.48Å
1247P50.9Low53.3Low97 Ų9798.7 Ų98.763%0.6350%0.503SS*.Hα-helixtrans-55.1-21.117519.7-32.1000112.3E1251P1247-E1251 WeakPolarHBondContact O-CG 3.48Å; P1247-E1251 PolarHBondContact O-N 2.89Å
1248N50.7Low55.4Low105 Ų10594.4 Ų94.456%0.56149%0.486SS*.Hα-helixtrans-73.9-28.4169.1-59.3-85.8000114D1246 E1252D1246-N1248 PolarHBondContact O-N 2.94Å; D1246-N1248 WeakPolarHBondContact OD1-CB 3.45Å; D1246-N1248 PolarHBondContact OD1-N 3.12Å; D1246-N1248 PolarHBondContact OD1-ND2 2.94Å; N1248-E1252 WeakPolarHBondContact O-CB 3.31Å; N1248-E1252 PolarHBondContact O-N 3.36Å
1249D51.9Low57.1Low76 Ų7696.3 Ų96.341%0.40648%0.484SS..Hα-helixtrans-71-41172.5-74-44.9000110.9T1245 D1246 E1252 D1253T1245-D1249 HydrophobicContact CG2-CB 4.02Å; D1246-D1249 HydrophobicContact CB-CB 4.32Å; D1246-D1249 WeakPolarHBondContact CB-OD2 3.4Å; D1246-D1249 PolarHBondContact N-OD2 3.19Å; D1246-D1249 WeakPolarHBondContact O-CA 3.21Å; D1246-D1249 WeakPolarHBondContact O-CB 3.35Å; D1246-D1249 PolarHBondContact O-N 2.8Å; D1249-E1252 PolarHBondContact O-N 2.91Å; D1249-D1253 PolarHBondContact O-N 2.94Å
1250E52.6Low58.4Low108 Ų10891.9 Ų91.951%0.50547%0.469SS..Hα-helixtrans-66.4-39.5172.4-86.8-179.8-146.400111.3T1245 D1246 I1254T1245-E1250 WeakPolarHBondContact CB-OE1 3.15Å; T1245-E1250 HydrophobicContact CG2-CG 3.96Å; T1245-E1250 PolarHBondContact OG1-OE1 3.34Å; D1246-E1250 PolarHBondContact O-N 3.48Å; E1250-I1254 VanDerWaalsContact O-CB 3.25Å; E1250-I1254 WeakPolarHBondContact O-CB 3.44Å; E1250-I1254 WeakPolarHBondContact O-CD1 3.22Å; E1250-I1254 WeakPolarHBondContact O-CG1 3.39Å; E1250-I1254 PolarHBondContact O-N 2.95Å
1251E54.2Low59.7Low110 Ų11091.9 Ų91.951%0.51447%0.471SS..Hα-helixtrans-63.5-38.6169-77.7-166.8170.100112.3P1247 I1254 F1255P1247-E1251 WeakPolarHBondContact O-CG 3.48Å; P1247-E1251 PolarHBondContact O-N 2.89Å; E1251-I1254 CarbonylContact O-C 3.08Å; E1251-I1254 PolarHBondContact O-N 2.56Å; E1251-F1255 HydrophobicContact CB-CD2 4.22Å; E1251-F1255 HydrophobicContact CB-CE2 4.18Å; E1251-F1255 WeakPolarHBondContact O-CB 3.16Å; E1251-F1255 WeakPolarHBondContact O-CD2 3.03Å; E1251-F1255 WeakPolarHBondContact O-CG 3.35Å; E1251-F1255 PolarHBondContact O-N 3.39Å
1252E56.2Low60.9Low125 Ų12589.2 Ų89.258%0.58446%0.458SS*.Hα-helixtrans-70.3-42.8179.7-171.8163.4-126.600112.7N1248 D1249 I1254 F1255 E1256N1248-E1252 WeakPolarHBondContact O-CB 3.31Å; N1248-E1252 PolarHBondContact O-N 3.36Å; D1249-E1252 PolarHBondContact O-N 2.91Å; E1252-I1254 VanDerWaalsContact C-N 3.31Å; E1252-I1254 PolarHBondContact O-N 3.01Å; E1252-F1255 PolarHBondContact O-N 3.05Å; E1252-E1256 PolarHBondContact O-N 2.84Å
1253D67Low61.9Low64 Ų6490.5 Ų90.534%0.34245%0.448SS..Hα-helixtrans-66.4-32.2172.1-88.3-3000111R1207 D1249 A1257R1207-D1253 IonicContact CZ-OD1 3.88Å; R1207-D1253 IonicContact NE-OD1 3.04Å; R1207-D1253 PolarHBondContact NE-OD1 3.39Å; R1207-D1253 IonicContact NE-OD2 2.7Å; R1207-D1253 IonicContact NH2-OD1 3.17Å; R1207-D1253 PolarHBondContact NH2-OD1 3.08Å; R1207-D1253 IonicContact NH2-OD2 2.82Å; D1249-D1253 PolarHBondContact O-N 2.94Å; D1253-A1257 WeakPolarHBondContact O-CB 3.45Å; D1253-A1257 PolarHBondContact O-N 3.41Å
1254I74.3Confident63Low85 Ų8589 Ų8944%0.43645%0.445SS..Hα-helixtrans-68.4-41169.8-73.4167.2000111.6E1250 E1251 E1252 A1257 L1258E1250-I1254 VanDerWaalsContact O-CB 3.25Å; E1250-I1254 WeakPolarHBondContact O-CB 3.44Å; E1250-I1254 WeakPolarHBondContact O-CD1 3.22Å; E1250-I1254 WeakPolarHBondContact O-CG1 3.39Å; E1250-I1254 PolarHBondContact O-N 2.95Å; E1251-I1254 CarbonylContact O-C 3.08Å; E1251-I1254 PolarHBondContact O-N 2.56Å; E1252-I1254 VanDerWaalsContact C-N 3.31Å; E1252-I1254 PolarHBondContact O-N 3.01Å; I1254-A1257 PolarHBondContact O-N 3.36Å; I1254-L1258 HydrophobicContact CG2-CD1 3.93Å; I1254-L1258 HydrophobicContact CG2-CG 4.39Å; I1254-L1258 WeakPolarHBondContact O-CB 3.42Å; I1254-L1258 VanDerWaalsContact O-CG 3.27Å; I1254-L1258 WeakPolarHBondContact O-CG 3.48Å; I1254-L1258 PolarHBondContact O-N 3.23Å
1255F73.4Confident64.5Low124 Ų12485.6 Ų85.654%0.54443%0.434SS..Hα-helixtrans-69.3-36178.3-83.8-60.1000111.9E1251 E1252 L1258 R1259E1251-F1255 HydrophobicContact CB-CD2 4.22Å; E1251-F1255 HydrophobicContact CB-CE2 4.18Å; E1251-F1255 WeakPolarHBondContact O-CB 3.16Å; E1251-F1255 WeakPolarHBondContact O-CD2 3.03Å; E1251-F1255 WeakPolarHBondContact O-CG 3.35Å; E1251-F1255 PolarHBondContact O-N 3.39Å; E1252-F1255 PolarHBondContact O-N 3.05Å; F1255-L1258 HydrophobicContact CD1-CD1 4.38Å; F1255-L1258 PolarHBondContact O-N 3.21Å; F1255-R1259 WeakPolarHBondContact O-CG 3.41Å; F1255-R1259 PolarHBondContact O-N 3.21Å
1256E73.5Confident65.3Low49 Ų4986.9 Ų86.923%0.22944%0.438CS..Hα-helixtrans-76.2-32.1173.2-163.258.9-134.100111.9E1252 R1259 Q1260 R1263E1252-E1256 PolarHBondContact O-N 2.84Å; E1256-R1259 WeakPolarHBondContact O-CB 3.4Å; E1256-R1259 PolarHBondContact O-N 3.16Å; E1256-R1259 WeakPolarHBondContact OE2-CD 3.47Å; E1256-R1259 IonicContact OE2-CZ 3.88Å; E1256-R1259 IonicContact OE2-NE 2.77Å; E1256-R1259 IonicContact OE2-NH1 3.11Å; E1256-R1259 PolarHBondContact OE2-NH1 3.14Å; E1256-Q1260 WeakPolarHBondContact O-CG 3.39Å; E1256-Q1260 PolarHBondContact O-N 3.15Å; E1256-R1263 IonicContact OE1-CZ 3.78Å; E1256-R1263 IonicContact OE1-NH2 3.03Å; E1256-R1263 PolarHBondContact OE1-NH2 2.99Å
1257A71.7Confident65.8Low4 Ų485.2 Ų85.23%0.03343%0.433CS..Hα-helixtrans-64-41.5167.700000111.9F1205 D1253 I1254 R1259 Q1260 V1261F1205-A1257 HydrophobicContact CD1-CB 3.78Å; F1205-A1257 HydrophobicContact CE1-CB 3.41Å; F1205-A1257 VanDerWaalsContact CE1-CB 3.41Å; F1205-A1257 HydrophobicContact CZ-CB 3.94Å; D1253-A1257 WeakPolarHBondContact O-CB 3.45Å; D1253-A1257 PolarHBondContact O-N 3.41Å; I1254-A1257 PolarHBondContact O-N 3.36Å; A1257-R1259 VanDerWaalsContact C-N 3.33Å; A1257-R1259 PolarHBondContact O-N 3.14Å; A1257-Q1260 PolarHBondContact O-N 3.34Å; A1257-V1261 WeakPolarHBondContact O-CG2 3.49Å; A1257-V1261 PolarHBondContact O-N 3.09Å
1258L78.3Confident66.5Low102 Ų10286.7 Ų86.753%0.53444%0.435SS..Hα-helixtrans-64.1-35.7172.3-77.8169.1000112I1254 F1255 G1262I1254-L1258 HydrophobicContact CG2-CD1 3.93Å; I1254-L1258 HydrophobicContact CG2-CG 4.39Å; I1254-L1258 WeakPolarHBondContact O-CB 3.42Å; I1254-L1258 VanDerWaalsContact O-CG 3.27Å; I1254-L1258 WeakPolarHBondContact O-CG 3.48Å; I1254-L1258 PolarHBondContact O-N 3.23Å; F1255-L1258 HydrophobicContact CD1-CD1 4.38Å; F1255-L1258 PolarHBondContact O-N 3.21Å; L1258-G1262 PolarHBondContact O-N 3.37Å
1259R74.4Confident67.2Low159 Ų15987.8 Ų87.860%0.644%0.44SS*.Hα-helixtrans-65.9-42.8169.9-79.2168.2167.2176.13.7111.8F1255 E1256 A1257 G1262 R1263F1255-R1259 WeakPolarHBondContact O-CG 3.41Å; F1255-R1259 PolarHBondContact O-N 3.21Å; E1256-R1259 WeakPolarHBondContact O-CB 3.4Å; E1256-R1259 PolarHBondContact O-N 3.16Å; E1256-R1259 WeakPolarHBondContact OE2-CD 3.47Å; E1256-R1259 IonicContact OE2-CZ 3.88Å; E1256-R1259 IonicContact OE2-NE 2.77Å; E1256-R1259 IonicContact OE2-NH1 3.11Å; E1256-R1259 PolarHBondContact OE2-NH1 3.14Å; A1257-R1259 VanDerWaalsContact C-N 3.33Å; A1257-R1259 PolarHBondContact O-N 3.14Å; R1259-G1262 CarbonylContact O-C 3.46Å; R1259-G1262 WeakPolarHBondContact O-CA 3.34Å; R1259-G1262 PolarHBondContact O-N 2.82Å; R1259-R1263 VanDerWaalsContact O-CG 3.31Å; R1259-R1263 WeakPolarHBondContact O-CG 3.21Å; R1259-R1263 PolarHBondContact O-N 3.38Å
1260Q73Confident68.3Low59 Ų5985.7 Ų85.728%0.27643%0.432SS..Hα-helixtrans-62.9-43.6175.7-72.1175.355.300111.2L1204 E1256 A1257 G1262 R1263 L1264L1204-Q1260 HydrophobicContact CD2-CB 3.91Å; L1204-Q1260 PolarHBondContact O-NE2 3.41Å; L1204-Q1260 VanDerWaalsContact O-NE2 3.09Å; L1204-Q1260 PolarHBondContact O-OE1 3.07Å; E1256-Q1260 WeakPolarHBondContact O-CG 3.39Å; E1256-Q1260 PolarHBondContact O-N 3.15Å; A1257-Q1260 PolarHBondContact O-N 3.34Å; Q1260-G1262 VanDerWaalsContact C-N 3.32Å; Q1260-G1262 PolarHBondContact O-N 3.5Å; Q1260-R1263 PolarHBondContact O-N 3.27Å; Q1260-L1264 VanDerWaalsContact O-CB 3.3Å; Q1260-L1264 WeakPolarHBondContact O-CB 3.41Å; Q1260-L1264 PolarHBondContact O-N 2.71Å
1261V76.1Confident69.9Low58 Ų5881 Ų8135%0.35241%0.413SS..Hα-helixtrans-60.7-41.1171.4172.40000110.9L1204 A1257 L1264 V1265L1204-V1261 HydrophobicContact CD1-CG2 3.91Å; A1257-V1261 WeakPolarHBondContact O-CG2 3.49Å; A1257-V1261 PolarHBondContact O-N 3.09Å; V1261-L1264 CarbonylContact O-C 3.38Å; V1261-L1264 PolarHBondContact O-N 3.05Å; V1261-V1265 HydrophobicContact CG1-CG2 4.25Å; V1261-V1265 WeakPolarHBondContact O-CB 3.12Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.48Å; V1261-V1265 PolarHBondContact O-N 2.94Å
1262G72.2Confident71.6Confident29 Ų2977 Ų7730%0.29940%0.397SS..Hα-helixtrans-63.3-43.1174.400000113.3L1258 R1259 Q1260 L1264 N1266L1258-G1262 PolarHBondContact O-N 3.37Å; R1259-G1262 CarbonylContact O-C 3.46Å; R1259-G1262 WeakPolarHBondContact O-CA 3.34Å; R1259-G1262 PolarHBondContact O-N 2.82Å; Q1260-G1262 VanDerWaalsContact C-N 3.32Å; Q1260-G1262 PolarHBondContact O-N 3.5Å; G1262-L1264 VanDerWaalsContact C-N 3.27Å; G1262-L1264 PolarHBondContact O-N 3.09Å; G1262-N1266 WeakPolarHBondContact O-CB 3.28Å; G1262-N1266 VanDerWaalsContact O-CG 3.27Å; G1262-N1266 PolarHBondContact O-N 2.64Å
1263R66.1Low73.3Confident128 Ų12871.3 Ų71.348%0.48337%0.371SS..Hα-helixtrans-59.3-40.1171.5-67.7179.9-150.2-172.910.3110.3D1210 E1256 R1259 Q1260 S1267D1210-R1263 IonicContact OD1-CZ 3.48Å; D1210-R1263 IonicContact OD1-NH1 3.5Å; D1210-R1263 PolarHBondContact OD1-NH1 3.36Å; D1210-R1263 IonicContact OD1-NH2 3.17Å; E1256-R1263 IonicContact OE1-CZ 3.78Å; E1256-R1263 IonicContact OE1-NH2 3.03Å; E1256-R1263 PolarHBondContact OE1-NH2 2.99Å; R1259-R1263 VanDerWaalsContact O-CG 3.31Å; R1259-R1263 WeakPolarHBondContact O-CG 3.21Å; R1259-R1263 PolarHBondContact O-N 3.38Å; Q1260-R1263 PolarHBondContact O-N 3.27Å; R1263-S1267 VanDerWaalsContact O-CB 3.24Å; R1263-S1267 WeakPolarHBondContact O-CB 3.42Å; R1263-S1267 PolarHBondContact O-N 2.96Å
1264L67.7Low74.5Confident91 Ų9171.2 Ų71.248%0.47637%0.373SS..Hα-helixtrans-76.9-37.7-176.9-160.7147.2000112.9Q1260 V1261 G1262 S1267 L1268Q1260-L1264 VanDerWaalsContact O-CB 3.3Å; Q1260-L1264 WeakPolarHBondContact O-CB 3.41Å; Q1260-L1264 PolarHBondContact O-N 2.71Å; V1261-L1264 CarbonylContact O-C 3.38Å; V1261-L1264 PolarHBondContact O-N 3.05Å; G1262-L1264 VanDerWaalsContact C-N 3.27Å; G1262-L1264 PolarHBondContact O-N 3.09Å; L1264-S1267 WeakPolarHBondContact O-CB 3.48Å; L1264-S1267 PolarHBondContact O-N 3.47Å; L1264-L1268 HydrophobicContact CD2-CD1 3.86Å; L1264-L1268 HydrophobicContact CD2-CG 4.45Å; L1264-L1268 WeakPolarHBondContact O-CG 3.3Å; L1264-L1268 PolarHBondContact O-N 2.59Å
1265V72.5Confident75.4Confident71 Ų7171.5 Ų71.543%0.4337%0.373SS..Hα-helixtrans-66.9-41.5170.9169.80000110.9V1261 L1268 N1269V1261-V1265 HydrophobicContact CG1-CG2 4.25Å; V1261-V1265 WeakPolarHBondContact O-CB 3.12Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.48Å; V1261-V1265 PolarHBondContact O-N 2.94Å; V1265-L1268 PolarHBondContact O-N 3.38Å; V1265-N1269 PolarHBondContact O-N 2.98Å; V1265-N1269 VanDerWaalsContact O-N 3.12Å; V1265-N1269 PolarHBondContact O-ND2 3.23Å
1266N64.2Low76.1Confident100 Ų10072.5 Ų72.554%0.53538%0.377SS..Hα-helixtrans-62.6-45.3171.2-73.1-3.9000110.5G1262 L1268 N1269 S1270G1262-N1266 WeakPolarHBondContact O-CB 3.28Å; G1262-N1266 VanDerWaalsContact O-CG 3.27Å; G1262-N1266 PolarHBondContact O-N 2.64Å; N1266-L1268 PolarHBondContact O-N 3.46Å; N1266-N1269 PolarHBondContact O-N 2.9Å; N1266-S1270 PolarHBondContact O-N 3.47Å; N1266-S1270 PolarHBondContact O-OG 3.38Å
1267S61.1Low77Confident46 Ų4671.4 Ų71.432%0.32237%0.373SS..Hα-helixtrans-54.9-37.1175.4-1720000113R1263 L1264 S1270 N1277R1263-S1267 VanDerWaalsContact O-CB 3.24Å; R1263-S1267 WeakPolarHBondContact O-CB 3.42Å; R1263-S1267 PolarHBondContact O-N 2.96Å; L1264-S1267 WeakPolarHBondContact O-CB 3.48Å; L1264-S1267 PolarHBondContact O-N 3.47Å; S1267-S1270 CarbonylContact O-C 3.49Å; S1267-S1270 VanDerWaalsContact O-O 3.13Å; S1267-N1277 PolarHBondContact O-ND2 2.81Å; S1267-N1277 PolarHBondContact O-OD1 3.26Å; S1267-N1277 VanDerWaalsContact O-OD1 3.06Å; S1267-N1277 PolarHBondContact OG-ND2 3.26Å
1268L65.4Low78Confident128 Ų12872 Ų7267%0.6738%0.376SS*.Hα-helixtrans-75.1-26.5176.7-72.6166.6000113.6L1264 V1265 N1266L1264-L1268 HydrophobicContact CD2-CD1 3.86Å; L1264-L1268 HydrophobicContact CD2-CG 4.45Å; L1264-L1268 WeakPolarHBondContact O-CG 3.3Å; L1264-L1268 PolarHBondContact O-N 2.59Å; V1265-L1268 PolarHBondContact O-N 3.38Å; N1266-L1268 PolarHBondContact O-N 3.46Å
1269N66.5Low78.8Confident127 Ų12767.2 Ų67.268%0.67935%0.351SS*.Hα-helixtrans-88.7-33.2177.6-73.1-25.5000112.9V1265 N1266V1265-N1269 PolarHBondContact O-N 2.98Å; V1265-N1269 VanDerWaalsContact O-N 3.12Å; V1265-N1269 PolarHBondContact O-ND2 3.23Å; N1266-N1269 PolarHBondContact O-N 2.9Å
1270S74.9Confident79.6Confident32 Ų3266 Ų6622%0.22435%0.347CS..SBendtrans-120.395.4177.257.90000109.6N1266 S1267 S1272N1266-S1270 PolarHBondContact O-N 3.47Å; N1266-S1270 PolarHBondContact O-OG 3.38Å; S1267-S1270 CarbonylContact O-C 3.49Å; S1267-S1270 VanDerWaalsContact O-O 3.13Å; S1270-S1272 PolarHBondContact O-N 3.13Å
1271G85.2Confident80.6Confident10 Ų1063.7 Ų63.710%0.10334%0.337CS..  trans-64.5125.1178.100000111.4G1273 P1278 A1279G1271-G1273 PolarHBondContact O-N 3.37Å; G1271-G1273 VanDerWaalsContact O-N 3.17Å; G1271-P1278 WeakPolarHBondContact CA-O 3.4Å; G1271-A1279 WeakPolarHBondContact O-CB 3.42Å
1272S89.7Confident81.5Confident27 Ų2760.9 Ų60.919%0.18932%0.32CS..  trans-77.80.5-17169.40000114.6S1270 T1274 N1277 K1292S1270-S1272 PolarHBondContact O-N 3.13Å; S1272-T1274 VanDerWaalsContact C-N 3.32Å; S1272-T1274 WeakPolarHBondContact OG-CG2 3.47Å; S1272-T1274 PolarHBondContact OG-OG1 3.18Å; S1272-N1277 PolarHBondContact N-ND2 3.1Å; S1272-N1277 VanDerWaalsContact N-ND2 3.12Å; S1272-N1277 PolarHBondContact N-O 3.46Å; S1272-N1277 PolarHBondContact OG-O 2.82Å; S1272-K1292 PolarHBondContact O-NZ 2.83Å
1273G92.3Very high82.4Confident4 Ų463.4 Ų63.44%0.04132%0.324CS..SBendtrans75.819.2-177.200000113.5G1271 N1277 Y1298G1271-G1273 PolarHBondContact O-N 3.37Å; G1271-G1273 VanDerWaalsContact O-N 3.17Å; G1273-N1277 PolarHBondContact N-O 2.96Å; G1273-N1277 VanDerWaalsContact N-O 3.11Å; G1273-Y1298 WeakPolarHBondContact CA-O 3.34Å; G1273-Y1298 PolarHBondContact O-N 3.42Å
1274T93.1Very high83.6Confident62 Ų6258.8 Ų58.838%0.3831%0.309SS..BIsolated β-bridgetrans-104.7158-179.261.40000110.7S1272 F1276 N1277 P1278S1272-T1274 VanDerWaalsContact C-N 3.32Å; S1272-T1274 WeakPolarHBondContact OG-CG2 3.47Å; S1272-T1274 PolarHBondContact OG-OG1 3.18Å; T1274-F1276 PolarHBondContact O-N 2.83Å; T1274-F1276 VanDerWaalsContact O-N 3.11Å; T1274-N1277 PolarHBondContact N-O 2.67Å; T1274-N1277 VanDerWaalsContact N-O 3.13Å; T1274-N1277 CarbonylContact O-C 3.48Å; T1274-N1277 PolarHBondContact O-N 2.03Å; T1274-N1277 PolarHBondContact OG1-N 3.07Å; T1274-P1278 WeakPolarHBondContact O-CA 3.3Å
1275Q91.7Very high84.9Confident91 Ų9154.5 Ų54.543%0.42529%0.286SS..THydrogen-bonded Turntrans-57.8-31.2-175.6-169175.816.400114Y1298Q1275-Y1298 HydrophobicContact CB-CD1 4.14Å; Q1275-Y1298 HydrophobicContact CB-CD2 3.86Å; Q1275-Y1298 HydrophobicContact CB-CE1 4.13Å; Q1275-Y1298 HydrophobicContact CB-CE2 3.85Å; Q1275-Y1298 HydrophobicContact CB-CG 4.01Å; Q1275-Y1298 HydrophobicContact CG-CD1 4.01Å; Q1275-Y1298 HydrophobicContact CG-CE1 3.77Å; Q1275-Y1298 HydrophobicContact CG-CE2 4.35Å; Q1275-Y1298 HydrophobicContact CG-CG 4.39Å
1276F89.3Confident85.8Confident145 Ų14553.9 Ų53.964%0.63628%0.278SS*.THydrogen-bonded Turntrans-92.5-9.1178.5-57.5-74.8000113.6T1274 W1306T1274-F1276 PolarHBondContact O-N 2.83Å; T1274-F1276 VanDerWaalsContact O-N 3.11Å; F1276-W1306 HydrophobicContact CD1-CE3 4.06Å; F1276-W1306 AromaticContact CD1-CH2 3.8Å; F1276-W1306 HydrophobicContact CD1-CH2 3.8Å; F1276-W1306 AromaticContact CD1-CZ3 3.45Å; F1276-W1306 HydrophobicContact CD1-CZ3 3.45Å; F1276-W1306 VanDerWaalsContact CD1-CZ3 3.45Å; F1276-W1306 AromaticContact CE1-CH2 3.97Å; F1276-W1306 HydrophobicContact CE1-CH2 3.97Å; F1276-W1306 AromaticContact CE1-CZ3 3.72Å; F1276-W1306 HydrophobicContact CE1-CZ3 3.72Å
1277N91.1Very high87.1Confident26 Ų2654.3 Ų54.314%0.13927%0.272CS..BIsolated β-bridgetrans-148.274.6172.9-172.332.4000109.9S1267 S1272 G1273 T1274S1267-N1277 PolarHBondContact O-ND2 2.81Å; S1267-N1277 PolarHBondContact O-OD1 3.26Å; S1267-N1277 VanDerWaalsContact O-OD1 3.06Å; S1267-N1277 PolarHBondContact OG-ND2 3.26Å; S1272-N1277 PolarHBondContact N-ND2 3.1Å; S1272-N1277 VanDerWaalsContact N-ND2 3.12Å; S1272-N1277 PolarHBondContact N-O 3.46Å; S1272-N1277 PolarHBondContact OG-O 2.82Å; G1273-N1277 PolarHBondContact N-O 2.96Å; G1273-N1277 VanDerWaalsContact N-O 3.11Å; T1274-N1277 PolarHBondContact N-O 2.67Å; T1274-N1277 VanDerWaalsContact N-O 3.13Å; T1274-N1277 CarbonylContact O-C 3.48Å; T1274-N1277 PolarHBondContact O-N 2.03Å; T1274-N1277 PolarHBondContact OG1-N 3.07Å
1278P93.9Very high88.4Confident16 Ų1654.6 Ų54.610%0.10427%0.27CS..  trans-68.6149.1-179.227.1-34.1000111.1G1271 T1274 Y1298 D1300 W1306G1271-P1278 WeakPolarHBondContact CA-O 3.4Å; T1274-P1278 WeakPolarHBondContact O-CA 3.3Å; P1278-Y1298 WeakPolarHBondContact CA-O 3.28Å; P1278-D1300 HydrophobicContact CB-CB 3.86Å; P1278-D1300 HydrophobicContact CG-CB 3.6Å; P1278-W1306 HydrophobicContact CG-CB 4.01Å
1279A93.6Very high89.7Confident2 Ų250.3 Ų50.32%0.01725%0.246CC..BIsolated β-bridgetrans-79.6155168.900000110G1271 T1281 L1285 Y1298 V1299 D1300G1271-A1279 WeakPolarHBondContact O-CB 3.42Å; A1279-T1281 PolarHBondContact O-N 3.06Å; A1279-L1285 HydrophobicContact CB-CB 3.68Å; A1279-L1285 HydrophobicContact CB-CD1 4.16Å; A1279-L1285 HydrophobicContact CB-CG 4.36Å; A1279-Y1298 PolarHBondContact N-O 3.35Å; A1279-V1299 HydrophobicContact CB-CG1 4.45Å; A1279-V1299 CarbonylContact O-C 3.5Å; A1279-V1299 WeakPolarHBondContact O-CA 3.29Å; A1279-V1299 VanDerWaalsContact O-CB 3.23Å; A1279-V1299 WeakPolarHBondContact O-CB 3.29Å; A1279-D1300 PolarHBondContact O-N 2.71Å
1280R91.8Very high90.9Very high135 Ų13548.1 Ų48.151%0.50924%0.239SC..SBendtrans-65-43.7177.9-168.2-179.1-167.5163.110.8112.4D1284 D1300 P1301R1280-D1284 HydrophobicContact CB-CB 4.5Å; R1280-D1300 CarbonylContact O-C 3.52Å; R1280-P1301 PolarHBondContact NE-O 2.78Å; R1280-P1301 PolarHBondContact NH2-O 3.46Å; R1280-P1301 WeakPolarHBondContact O-CA 3.33Å
1281T93.4Very high91.7Very high9 Ų952.5 Ų52.56%0.05526%0.256CS..SBendtrans-142.1172.8172.671.10000110.4A1279 H1283 D1284 L1285 L1369A1279-T1281 PolarHBondContact O-N 3.06Å; T1281-H1283 PolarHBondContact O-N 2.88Å; T1281-H1283 WeakPolarHBondContact OG1-CB 3.13Å; T1281-H1283 PolarHBondContact OG1-N 2.97Å; T1281-D1284 WeakPolarHBondContact CB-OD2 3.48Å; T1281-D1284 WeakPolarHBondContact CG2-OD2 3.38Å; T1281-D1284 PolarHBondContact N-OD2 2.74Å; T1281-D1284 VanDerWaalsContact N-OD2 3.17Å; T1281-D1284 PolarHBondContact O-N 2.91Å; T1281-D1284 PolarHBondContact OG1-N 2.87Å; T1281-D1284 VanDerWaalsContact OG1-N 3.07Å; T1281-D1284 PolarHBondContact OG1-OD2 3.04Å; T1281-L1285 PolarHBondContact O-N 3Å; T1281-L1369 HydrophobicContact CG2-CD1 4.47Å
1282C95.1Very high92.1Very high0 Ų054 Ų540%026%0.26CS..Hα-helixtrans-69.8-23.1171.1-63.40000112.7K1286 C1314 L1316 E1320 T1321C1282-K1286 PolarHBondContact O-N 2.93Å; C1282-K1286 VanDerWaalsContact O-N 3.1Å; C1282-C1314 HydrophobicContact CB-CB 3.53Å; C1282-C1314 WeakPolarHBondContact CB-SG 3.27Å; C1282-C1314 WeakPolarHBondContact SG-CA 3.23Å; C1282-C1314 WeakPolarHBondContact SG-CB 3.25Å; C1282-C1314 CovalentContact SG-SG 2.03Å; C1282-C1314 PolarHBondContact SG-SG 2.72Å; C1282-L1316 HydrophobicContact CB-CD2 4.07Å; C1282-L1316 WeakPolarHBondContact O-CD2 3.23Å; C1282-E1320 WeakPolarHBondContact CB-O 3.03Å; C1282-T1321 WeakPolarHBondContact CB-OG1 3.32Å; C1282-T1321 PolarHBondContact N-OG1 3.45Å; C1282-T1321 PolarHBondContact SG-OG1 2.97Å
1283H92.3Very high92.3Very high82 Ų8258.7 Ų58.738%0.3828%0.276SS..Hα-helixtrans-68.5-48.2171.3-175.5121.6000110.3T1281 L1285 K1286 R1287 L1319T1281-H1283 PolarHBondContact O-N 2.88Å; T1281-H1283 WeakPolarHBondContact OG1-CB 3.13Å; T1281-H1283 PolarHBondContact OG1-N 2.97Å; H1283-L1285 VanDerWaalsContact C-N 3.34Å; H1283-L1285 PolarHBondContact O-N 2.91Å; H1283-K1286 PolarHBondContact O-N 2.96Å; H1283-K1286 VanDerWaalsContact O-N 3.13Å; H1283-R1287 PolarHBondContact O-N 2.89Å; H1283-L1319 HydrophobicContact CB-CB 4.5Å
1284D91.3Very high92.5Very high31 Ų3161.1 Ų61.117%0.16629%0.288CS..Hα-helixtrans-57.7-47.5174.6-63.4-74000110.8R1280 T1281 K1286 R1287 D1288R1280-D1284 HydrophobicContact CB-CB 4.5Å; T1281-D1284 WeakPolarHBondContact CB-OD2 3.48Å; T1281-D1284 WeakPolarHBondContact CG2-OD2 3.38Å; T1281-D1284 PolarHBondContact N-OD2 2.74Å; T1281-D1284 VanDerWaalsContact N-OD2 3.17Å; T1281-D1284 PolarHBondContact O-N 2.91Å; T1281-D1284 PolarHBondContact OG1-N 2.87Å; T1281-D1284 VanDerWaalsContact OG1-N 3.07Å; T1281-D1284 PolarHBondContact OG1-OD2 3.04Å; D1284-K1286 VanDerWaalsContact C-N 3.25Å; D1284-K1286 PolarHBondContact O-N 2.88Å; D1284-R1287 PolarHBondContact O-N 2.89Å; D1284-R1287 VanDerWaalsContact O-N 3.13Å; D1284-R1287 IonicContact OD1-CZ 2.71Å; D1284-R1287 IonicContact OD1-NH1 3.71Å; D1284-R1287 PolarHBondContact OD1-NH1 3.3Å; D1284-R1287 IonicContact OD1-NH2 2.68Å; D1284-R1287 PolarHBondContact OD1-NH2 2.68Å; D1284-D1288 WeakPolarHBondContact O-CB 3.14Å; D1284-D1288 PolarHBondContact O-N 3.45Å
1285L93.5Very high92.6Very high0 Ų059 Ų590%028%0.279CS..Hα-helixtrans-55.7-38.3176-175.958.7000112.4A1279 T1281 H1283 H1289 K1292 Y1297 L1316A1279-L1285 HydrophobicContact CB-CB 3.68Å; A1279-L1285 HydrophobicContact CB-CD1 4.16Å; A1279-L1285 HydrophobicContact CB-CG 4.36Å; T1281-L1285 PolarHBondContact O-N 3Å; H1283-L1285 VanDerWaalsContact C-N 3.34Å; H1283-L1285 PolarHBondContact O-N 2.91Å; L1285-H1289 HydrophobicContact CD1-CB 4.21Å; L1285-H1289 CarbonylContact O-C 3.24Å; L1285-H1289 WeakPolarHBondContact O-CA 3.34Å; L1285-H1289 VanDerWaalsContact O-CB 3.3Å; L1285-H1289 WeakPolarHBondContact O-CB 3.5Å; L1285-H1289 PolarHBondContact O-N 3.11Å; L1285-K1292 HydrophobicContact CD1-CD 4.34Å; L1285-K1292 HydrophobicContact CD1-CG 4.26Å; L1285-K1292 HydrophobicContact CG-CG 4.47Å; L1285-Y1297 HydrophobicContact CD2-CD1 3.85Å; L1285-Y1297 HydrophobicContact CD2-CD2 3.64Å; L1285-Y1297 HydrophobicContact CD2-CE1 4.35Å; L1285-Y1297 HydrophobicContact CD2-CE2 4.14Å; L1285-Y1297 HydrophobicContact CD2-CG 3.46Å; L1285-Y1297 VanDerWaalsContact CD2-CG 3.46Å; L1285-L1316 HydrophobicContact CB-CD2 4.39Å; L1285-L1316 HydrophobicContact CD2-CD2 4.32Å; L1285-L1316 HydrophobicContact CG-CD2 4.41Å
1286K93.3Very high92.9Very high59 Ų5960.7 Ų60.726%0.25729%0.289SS..Hα-helixtrans-76.7-33.2178.6-167.746.4160.7179.10113.5C1282 H1283 D1284 P1290 K1292 L1316 L1319C1282-K1286 PolarHBondContact O-N 2.93Å; C1282-K1286 VanDerWaalsContact O-N 3.1Å; H1283-K1286 PolarHBondContact O-N 2.96Å; H1283-K1286 VanDerWaalsContact O-N 3.13Å; D1284-K1286 VanDerWaalsContact C-N 3.25Å; D1284-K1286 PolarHBondContact O-N 2.88Å; K1286-P1290 PolarHBondContact NZ-O 3.21Å; K1286-K1292 PolarHBondContact NZ-O 3.43Å; K1286-L1316 HydrophobicContact CB-CB 4.3Å; K1286-L1316 HydrophobicContact CB-CD2 4.01Å; K1286-L1316 HydrophobicContact CD-CB 3.89Å; K1286-L1316 HydrophobicContact CD-CD1 4.39Å; K1286-L1316 HydrophobicContact CG-CB 4.14Å; K1286-L1319 HydrophobicContact CB-CD2 3.58Å; K1286-L1319 HydrophobicContact CG-CD2 3.59Å
1287R90Very high93.2Very high109 Ų10955.5 Ų55.541%0.41127%0.266SS..Hα-helixtrans-65.4-47.8174.6-179.4-169.564.8-124.6-11.7110.6H1283 D1284H1283-R1287 PolarHBondContact O-N 2.89Å; D1284-R1287 PolarHBondContact O-N 2.89Å; D1284-R1287 VanDerWaalsContact O-N 3.13Å; D1284-R1287 IonicContact OD1-CZ 2.71Å; D1284-R1287 IonicContact OD1-NH1 3.71Å; D1284-R1287 PolarHBondContact OD1-NH1 3.3Å; D1284-R1287 IonicContact OD1-NH2 2.68Å; D1284-R1287 PolarHBondContact OD1-NH2 2.68Å
1288D89.5Confident93.5Very high52 Ų5257.6 Ų57.628%0.27827%0.272SS..Hα-helixtrans-89-25.8-169.8-55.2-26.3000112.5D1284D1284-D1288 WeakPolarHBondContact O-CB 3.14Å; D1284-D1288 PolarHBondContact O-N 3.45Å
1289H91.8Very high93.5Very high38 Ų3856.8 Ų56.818%0.17627%0.267CS..  trans-126.574.6173.2-71.7-82.1000112.4L1285 E1291 K1292L1285-H1289 HydrophobicContact CD1-CB 4.21Å; L1285-H1289 CarbonylContact O-C 3.24Å; L1285-H1289 WeakPolarHBondContact O-CA 3.34Å; L1285-H1289 VanDerWaalsContact O-CB 3.3Å; L1285-H1289 WeakPolarHBondContact O-CB 3.5Å; L1285-H1289 PolarHBondContact O-N 3.11Å; H1289-E1291 VanDerWaalsContact CA-OE2 3.3Å; H1289-E1291 WeakPolarHBondContact CA-OE2 3.43Å; H1289-E1291 WeakPolarHBondContact CB-OE1 3.42Å; H1289-E1291 IonicContact CG-OE1 3.42Å; H1289-E1291 IonicContact ND1-OE1 3.77Å; H1289-E1291 PolarHBondContact ND1-OE1 3.36Å; H1289-E1291 PolarHBondContact O-N 3.26Å; H1289-K1292 HydrophobicContact CB-CD 4.32Å; H1289-K1292 HydrophobicContact CB-CG 3.44Å; H1289-K1292 VanDerWaalsContact CB-CG 3.44Å; H1289-K1292 WeakPolarHBondContact O-CB 3.1Å; H1289-K1292 WeakPolarHBondContact O-CG 3.33Å; H1289-K1292 PolarHBondContact O-N 3.25Å; H1289-K1292 VanDerWaalsContact O-N 3.09Å
1290P91.6Very high93.6Very high81 Ų8157.4 Ų57.453%0.52627%0.27SS..THydrogen-bonded Turntrans-57.6-23.2-178.6-2636.2000114.9K1286 K1292K1286-P1290 PolarHBondContact NZ-O 3.21Å; P1290-K1292 VanDerWaalsContact C-N 3.32Å; P1290-K1292 PolarHBondContact O-N 3.39Å
1291E92.3Very high93.7Very high124 Ų12451 Ų5158%0.57925%0.246SC*.THydrogen-bonded Turntrans-73.1-18.4178.877.9-70.3171.900114.3H1289H1289-E1291 VanDerWaalsContact CA-OE2 3.3Å; H1289-E1291 WeakPolarHBondContact CA-OE2 3.43Å; H1289-E1291 WeakPolarHBondContact CB-OE1 3.42Å; H1289-E1291 IonicContact CG-OE1 3.42Å; H1289-E1291 IonicContact ND1-OE1 3.77Å; H1289-E1291 PolarHBondContact ND1-OE1 3.36Å; H1289-E1291 PolarHBondContact O-N 3.26Å
1292K93Very high93.6Very high42 Ų4252 Ų5218%0.18325%0.251CS..  trans-68.5147-180-57.6-93.9175.3162.10110.5S1272 L1285 K1286 H1289 P1290 Y1297 L1316S1272-K1292 PolarHBondContact O-NZ 2.83Å; L1285-K1292 HydrophobicContact CD1-CD 4.34Å; L1285-K1292 HydrophobicContact CD1-CG 4.26Å; L1285-K1292 HydrophobicContact CG-CG 4.47Å; K1286-K1292 PolarHBondContact NZ-O 3.43Å; H1289-K1292 HydrophobicContact CB-CD 4.32Å; H1289-K1292 HydrophobicContact CB-CG 3.44Å; H1289-K1292 VanDerWaalsContact CB-CG 3.44Å; H1289-K1292 WeakPolarHBondContact O-CB 3.1Å; H1289-K1292 WeakPolarHBondContact O-CG 3.33Å; H1289-K1292 PolarHBondContact O-N 3.25Å; H1289-K1292 VanDerWaalsContact O-N 3.09Å; P1290-K1292 VanDerWaalsContact C-N 3.32Å; P1290-K1292 PolarHBondContact O-N 3.39Å; K1292-Y1297 HydrophobicContact CD-CE1 3.77Å; K1292-L1316 HydrophobicContact CB-CD1 3.41Å; K1292-L1316 VanDerWaalsContact CB-CD1 3.41Å
1293K95.1Very high93.2Very high124 Ų12453.8 Ų53.854%0.53927%0.27SS..  trans-117.4166.3178.4-55.1-175.4-159.11480110.2Q1217 G1295 Y1297 L1316Q1217-K1293 VanDerWaalsContact OE1-CD 3.31Å; Q1217-K1293 VanDerWaalsContact OE1-CE 3.3Å; K1293-G1295 PolarHBondContact O-N 2.74Å; K1293-Y1297 WeakPolarHBondContact O-CE2 3.45Å; K1293-Y1297 PolarHBondContact O-OH 2.78Å; K1293-L1316 WeakPolarHBondContact O-CD1 3.39Å
1294D96.1Very high92.9Very high55 Ų5553.3 Ų53.329%0.29429%0.287SS..SBendtrans-55132.3179.5-56.5-4.5000111.4C1314 L1316 S1317D1294-C1314 VanDerWaalsContact CA-O 3.23Å; D1294-C1314 WeakPolarHBondContact CA-O 3.14Å; D1294-L1316 WeakPolarHBondContact OD1-CA 3.47Å; D1294-L1316 WeakPolarHBondContact OD1-CB 3.16Å; D1294-L1316 PolarHBondContact OD1-N 3.4Å; D1294-S1317 PolarHBondContact OD1-N 2.85Å; D1294-S1317 WeakPolarHBondContact OD2-CB 3Å; D1294-S1317 PolarHBondContact OD2-OG 3.4Å
1295G95.6Very high92.7Very high17 Ų1754.6 Ų54.618%0.17529%0.292CS..EExtended strand (participates in β ladder)trans169.7-179.9-167.800000113.3K1293 Y1297 C1314K1293-G1295 PolarHBondContact O-N 2.74Å; G1295-Y1297 WeakPolarHBondContact O-CD2 3.1Å; G1295-C1314 PolarHBondContact N-O 3.11Å; G1295-C1314 VanDerWaalsContact N-O 3.07Å; G1295-C1314 PolarHBondContact O-N 3.17Å
1296I96.7Very high92.4Very high127 Ų12758.2 Ų58.265%0.65131%0.306SS*.EExtended strand (participates in β ladder)trans-84.8130.8177.9-58.5175.2000109.6V1312 Y1313I1296-V1312 VanDerWaalsContact CA-O 3.32Å; I1296-V1312 WeakPolarHBondContact CA-O 3.27Å; I1296-Y1313 HydrophobicContact CG1-CD2 4.31Å
1297Y96.8Very high92.2Very high37 Ų3763 Ų6315%0.14532%0.322CS..EExtended strand (participates in β ladder)trans-140.6164.2176.5-65.6-76.9000110.4L1285 K1292 K1293 G1295 S1311 V1312 C1314 L1316L1285-Y1297 HydrophobicContact CD2-CD1 3.85Å; L1285-Y1297 HydrophobicContact CD2-CD2 3.64Å; L1285-Y1297 HydrophobicContact CD2-CE1 4.35Å; L1285-Y1297 HydrophobicContact CD2-CE2 4.14Å; L1285-Y1297 HydrophobicContact CD2-CG 3.46Å; L1285-Y1297 VanDerWaalsContact CD2-CG 3.46Å; K1292-Y1297 HydrophobicContact CD-CE1 3.77Å; K1293-Y1297 WeakPolarHBondContact O-CE2 3.45Å; K1293-Y1297 PolarHBondContact O-OH 2.78Å; G1295-Y1297 WeakPolarHBondContact O-CD2 3.1Å; Y1297-S1311 WeakPolarHBondContact O-CA 3.3Å; Y1297-V1312 PolarHBondContact N-O 3.05Å; Y1297-V1312 PolarHBondContact O-N 3.26Å; Y1297-C1314 HydrophobicContact CD2-CB 3.85Å; Y1297-C1314 HydrophobicContact CE2-CB 4.45Å; Y1297-L1316 HydrophobicContact CE2-CD1 4.18Å
1298Y96.1Very high92.2Very high69 Ų6960.7 Ų60.727%0.27132%0.318SS..EExtended strand (participates in β ladder)trans-93.1133.1169.9-75.2-97.6000110.5G1273 Q1275 P1278 A1279 I1310G1273-Y1298 WeakPolarHBondContact CA-O 3.34Å; G1273-Y1298 PolarHBondContact O-N 3.42Å; Q1275-Y1298 HydrophobicContact CB-CD1 4.14Å; Q1275-Y1298 HydrophobicContact CB-CD2 3.86Å; Q1275-Y1298 HydrophobicContact CB-CE1 4.13Å; Q1275-Y1298 HydrophobicContact CB-CE2 3.85Å; Q1275-Y1298 HydrophobicContact CB-CG 4.01Å; Q1275-Y1298 HydrophobicContact CG-CD1 4.01Å; Q1275-Y1298 HydrophobicContact CG-CE1 3.77Å; Q1275-Y1298 HydrophobicContact CG-CE2 4.35Å; Q1275-Y1298 HydrophobicContact CG-CG 4.39Å; P1278-Y1298 WeakPolarHBondContact CA-O 3.28Å; A1279-Y1298 PolarHBondContact N-O 3.35Å; Y1298-I1310 CarbonylContact C-O 3.44Å; Y1298-I1310 WeakPolarHBondContact CA-O 3.17Å
1299V95Very high92.4Very high0 Ų058.8 Ų58.80%031%0.311CS..EExtended strand (participates in β ladder)trans-129153174.1-58.20000112.7A1279 P1301 G1309 I1310 V1312 T1321A1279-V1299 HydrophobicContact CB-CG1 4.45Å; A1279-V1299 CarbonylContact O-C 3.5Å; A1279-V1299 WeakPolarHBondContact O-CA 3.29Å; A1279-V1299 VanDerWaalsContact O-CB 3.23Å; A1279-V1299 WeakPolarHBondContact O-CB 3.29Å; V1299-P1301 HydrophobicContact CG2-CG 4.37Å; V1299-G1309 CarbonylContact O-C 3.59Å; V1299-G1309 VanDerWaalsContact O-CA 3.28Å; V1299-G1309 WeakPolarHBondContact O-CA 3.32Å; V1299-I1310 HydrophobicContact CG2-CD1 4.04Å; V1299-I1310 HydrophobicContact CG2-CG1 3.71Å; V1299-I1310 PolarHBondContact N-O 3.13Å; V1299-I1310 VanDerWaalsContact O-CG1 3.32Å; V1299-I1310 WeakPolarHBondContact O-CG1 3.32Å; V1299-I1310 PolarHBondContact O-N 2.97Å; V1299-V1312 HydrophobicContact CB-CG2 4.21Å; V1299-V1312 HydrophobicContact CG1-CG2 3.7Å; V1299-V1312 HydrophobicContact CG2-CB 4.26Å; V1299-V1312 HydrophobicContact CG2-CG1 3.72Å; V1299-V1312 HydrophobicContact CG2-CG2 3.5Å; V1299-V1312 VanDerWaalsContact CG2-CG2 3.5Å; V1299-T1321 HydrophobicContact CG2-CG2 4.34Å
1300D95.2Very high92.5Very high14 Ų1457.7 Ų57.78%0.07531%0.306CS..  trans-132.677.3-175.9-163.938.3000110.7P1278 A1279 R1280 N1302 G1303 G1304 Q1365P1278-D1300 HydrophobicContact CB-CB 3.86Å; P1278-D1300 HydrophobicContact CG-CB 3.6Å; A1279-D1300 PolarHBondContact O-N 2.71Å; R1280-D1300 CarbonylContact O-C 3.52Å; D1300-N1302 PolarHBondContact O-N 2.92Å; D1300-N1302 PolarHBondContact OD1-OD1 3Å; D1300-G1303 PolarHBondContact O-N 3.22Å; D1300-G1303 VanDerWaalsContact O-N 3.12Å; D1300-G1303 WeakPolarHBondContact OD2-CA 3.4Å; D1300-G1304 PolarHBondContact OD2-N 3.31Å; D1300-Q1365 PolarHBondContact OD1-NE2 2.76Å
1301P93.7Very high92.7Very high0 Ų056.9 Ų56.90%030%0.302CS..SBendtrans-61.1-42-173-28.135.5000115.2R1280 V1299 G1303 I1310 Q1365 F1368 L1369R1280-P1301 PolarHBondContact NE-O 2.78Å; R1280-P1301 PolarHBondContact NH2-O 3.46Å; R1280-P1301 WeakPolarHBondContact O-CA 3.33Å; V1299-P1301 HydrophobicContact CG2-CG 4.37Å; P1301-G1303 VanDerWaalsContact C-N 3.26Å; P1301-G1303 PolarHBondContact O-N 2.9Å; P1301-I1310 HydrophobicContact CG-CD1 4.36Å; P1301-Q1365 VanDerWaalsContact CD-OE1 3.25Å; P1301-F1368 HydrophobicContact CB-CB 3.83Å; P1301-L1369 HydrophobicContact CB-CB 4.13Å; P1301-L1369 HydrophobicContact CG-CB 4.06Å; P1301-L1369 HydrophobicContact CG-CD1 4.25Å
1302N91.7Very high92.9Very high30 Ų3051.1 Ų51.116%0.1628%0.275CS..SBendtrans-61-38.9172.964.1-8.9000111.1D1300 D1308 Q1365 F1368D1300-N1302 PolarHBondContact O-N 2.92Å; D1300-N1302 PolarHBondContact OD1-OD1 3Å; N1302-D1308 PolarHBondContact ND2-OD2 3.09Å; N1302-Q1365 VanDerWaalsContact OD1-CD 3.25Å; N1302-Q1365 PolarHBondContact OD1-NE2 3.12Å; N1302-Q1365 PolarHBondContact OD1-OE1 2.63Å; N1302-F1368 VanDerWaalsContact CA-CG 3.5Å; N1302-F1368 HydrophobicContact CB-CB 4.37Å; N1302-F1368 HydrophobicContact CB-CD1 4.44Å; N1302-F1368 HydrophobicContact CB-CD2 3.41Å; N1302-F1368 VanDerWaalsContact CB-CD2 3.41Å; N1302-F1368 HydrophobicContact CB-CE2 3.68Å; N1302-F1368 HydrophobicContact CB-CG 3.84Å; N1302-F1368 HydrophobicContact CB-CZ 4.3Å
1303G87.1Confident93Very high39 Ų3953.6 Ų53.640%0.40228%0.284SS..  trans69.7147.4-162.400000111D1300 P1301D1300-G1303 PolarHBondContact O-N 3.22Å; D1300-G1303 VanDerWaalsContact O-N 3.12Å; D1300-G1303 WeakPolarHBondContact OD2-CA 3.4Å; P1301-G1303 VanDerWaalsContact C-N 3.26Å; P1301-G1303 PolarHBondContact O-N 2.9Å
1304G85.3Confident93.1Very high72 Ų7247.7 Ų47.774%0.74226%0.258SS*.SBendtrans154.8-91.6171.500000111.8D1300D1300-G1304 PolarHBondContact OD2-N 3.31Å
1305H87.2Confident93Very high57 Ų5749 Ų4926%0.26426%0.26SS..  trans-131.560.9-170.3-166.5-77.4000112.5E1196 R1307 D1308E1196-H1305 IonicContact OE1-CE1 3.47Å; E1196-H1305 PolarHBondContact OE1-CE1 2.84Å; E1196-H1305 IonicContact OE1-NE2 3.09Å; E1196-H1305 IonicContact OE2-CE1 3.11Å; E1196-H1305 IonicContact OE2-NE2 3.27Å; H1305-R1307 WeakPolarHBondContact O-CA 3.39Å; H1305-R1307 WeakPolarHBondContact O-CB 3.47Å; H1305-R1307 PolarHBondContact O-N 2.96Å; H1305-D1308 PolarHBondContact N-OD1 3.33Å; H1305-D1308 PolarHBondContact O-N 3.06Å
1306W88.1Confident92.9Very high76 Ų7648.4 Ų48.429%0.28825%0.252SS..G310 helixtrans29.3-42.3156.968.3-92.6000120.6F1276 P1278 D1308 G1309F1276-W1306 HydrophobicContact CD1-CE3 4.06Å; F1276-W1306 AromaticContact CD1-CH2 3.8Å; F1276-W1306 HydrophobicContact CD1-CH2 3.8Å; F1276-W1306 AromaticContact CD1-CZ3 3.45Å; F1276-W1306 HydrophobicContact CD1-CZ3 3.45Å; F1276-W1306 VanDerWaalsContact CD1-CZ3 3.45Å; F1276-W1306 AromaticContact CE1-CH2 3.97Å; F1276-W1306 HydrophobicContact CE1-CH2 3.97Å; F1276-W1306 AromaticContact CE1-CZ3 3.72Å; F1276-W1306 HydrophobicContact CE1-CZ3 3.72Å; P1278-W1306 HydrophobicContact CG-CB 4.01Å; W1306-D1308 PolarHBondContact N-OD1 3.39Å; W1306-D1308 PolarHBondContact O-N 2.79Å; W1306-G1309 WeakPolarHBondContact O-CA 3.43Å; W1306-G1309 PolarHBondContact O-N 3.12Å
1307R88.3Confident92.5Very high161 Ų16145.9 Ų45.961%0.60825%0.246SC*.G310 helixtrans-52.6-32.3163.1-62.3-178.7-179.8-83.49.1113.2E1196 H1305 G1309E1196-R1307 IonicContact OE1-CZ 3.79Å; E1196-R1307 IonicContact OE1-NE 2.8Å; E1196-R1307 PolarHBondContact OE1-NE 3.23Å; E1196-R1307 IonicContact OE1-NH2 3.83Å; E1196-R1307 PolarHBondContact OE1-NH2 3.37Å; H1305-R1307 WeakPolarHBondContact O-CA 3.39Å; H1305-R1307 WeakPolarHBondContact O-CB 3.47Å; H1305-R1307 PolarHBondContact O-N 2.96Å; R1307-G1309 VanDerWaalsContact C-N 3.3Å
1308D91.1Very high92.1Very high60 Ų6045.4 Ų45.432%0.32125%0.252SS..G310 helixtrans-86.7-0.6174.364.2-40.8000113.5N1302 H1305 W1306 Q1365N1302-D1308 PolarHBondContact ND2-OD2 3.09Å; H1305-D1308 PolarHBondContact N-OD1 3.33Å; H1305-D1308 PolarHBondContact O-N 3.06Å; W1306-D1308 PolarHBondContact N-OD1 3.39Å; W1306-D1308 PolarHBondContact O-N 2.79Å; D1308-Q1365 PolarHBondContact O-NE2 2.85Å
1309G92.2Very high91.9Very high12 Ų1243.7 Ų43.712%0.12425%0.248CC..PPolyproline II helixtrans-64.9132.5171.300000112.3V1299 W1306 R1307V1299-G1309 CarbonylContact O-C 3.59Å; V1299-G1309 VanDerWaalsContact O-CA 3.28Å; V1299-G1309 WeakPolarHBondContact O-CA 3.32Å; W1306-G1309 WeakPolarHBondContact O-CA 3.43Å; W1306-G1309 PolarHBondContact O-N 3.12Å; R1307-G1309 VanDerWaalsContact C-N 3.3Å
1310I94.7Very high91.9Very high14 Ų1444.8 Ų44.87%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-92.9144.1-173.452.8171000111.6Y1298 V1299 P1301 V1312 I1361 P1362 Q1365Y1298-I1310 CarbonylContact C-O 3.44Å; Y1298-I1310 WeakPolarHBondContact CA-O 3.17Å; V1299-I1310 HydrophobicContact CG2-CD1 4.04Å; V1299-I1310 HydrophobicContact CG2-CG1 3.71Å; V1299-I1310 PolarHBondContact N-O 3.13Å; V1299-I1310 VanDerWaalsContact O-CG1 3.32Å; V1299-I1310 WeakPolarHBondContact O-CG1 3.32Å; V1299-I1310 PolarHBondContact O-N 2.97Å; P1301-I1310 HydrophobicContact CG-CD1 4.36Å; I1310-V1312 HydrophobicContact CD1-CG1 3.73Å; I1310-V1312 HydrophobicContact CG1-CG1 3.91Å; I1310-I1361 HydrophobicContact CD1-CB 4.48Å; I1310-I1361 HydrophobicContact CD1-CD1 3.45Å; I1310-I1361 VanDerWaalsContact CD1-CD1 3.45Å; I1310-I1361 HydrophobicContact CD1-CG1 3.74Å; I1310-P1362 HydrophobicContact CG2-CG 4.39Å; I1310-Q1365 HydrophobicContact CG2-CB 4.48Å; I1310-Q1365 HydrophobicContact CG2-CG 4.29Å
1311S95.5Very high91.9Very high64 Ų6444.2 Ų44.245%0.44825%0.25SC..EExtended strand (participates in β ladder)trans-82.7127168.557.10000110.5Y1297Y1297-S1311 WeakPolarHBondContact O-CA 3.3Å
1312V96.2Very high92.1Very high4 Ų444.3 Ų44.32%0.02425%0.25CS..EExtended strand (participates in β ladder)trans-134.2155.7-175.3-63.70000110.5I1296 Y1297 V1299 I1310 T1321 V1323I1296-V1312 VanDerWaalsContact CA-O 3.32Å; I1296-V1312 WeakPolarHBondContact CA-O 3.27Å; Y1297-V1312 PolarHBondContact N-O 3.05Å; Y1297-V1312 PolarHBondContact O-N 3.26Å; V1299-V1312 HydrophobicContact CB-CG2 4.21Å; V1299-V1312 HydrophobicContact CG1-CG2 3.7Å; V1299-V1312 HydrophobicContact CG2-CB 4.26Å; V1299-V1312 HydrophobicContact CG2-CG1 3.72Å; V1299-V1312 HydrophobicContact CG2-CG2 3.5Å; V1299-V1312 VanDerWaalsContact CG2-CG2 3.5Å; I1310-V1312 HydrophobicContact CD1-CG1 3.73Å; I1310-V1312 HydrophobicContact CG1-CG1 3.91Å; V1312-T1321 HydrophobicContact CB-CG2 4.02Å; V1312-T1321 HydrophobicContact CG1-CG2 3.93Å; V1312-T1321 HydrophobicContact CG2-CG2 4.02Å; V1312-V1323 HydrophobicContact CG1-CG2 4.2Å
1313Y96.2Very high92.3Very high93 Ų9343 Ų4337%0.36524%0.243SC..EExtended strand (participates in β ladder)trans-87.4112.4165.7-176.4-92.6000109.2I1296 R1315 C1322I1296-Y1313 HydrophobicContact CG1-CD2 4.31Å; Y1313-R1315 HydrophobicContact CE1-CB 4.2Å; Y1313-C1322 HydrophobicContact CD1-CB 4.38Å; Y1313-C1322 PolarHBondContact N-O 2.96Å; Y1313-C1322 WeakPolarHBondContact O-CA 3.38Å; Y1313-C1322 VanDerWaalsContact O-CB 3.3Å; Y1313-C1322 WeakPolarHBondContact O-CB 3.44Å; Y1313-C1322 PolarHBondContact O-N 3Å
1314C96.3Very high92.6Very high0 Ų042.9 Ų42.90%024%0.236CC..EExtended strand (participates in β ladder)trans-84.5119.4171.2-64.80000110.5C1282 D1294 G1295 Y1297 L1316C1282-C1314 HydrophobicContact CB-CB 3.53Å; C1282-C1314 WeakPolarHBondContact CB-SG 3.27Å; C1282-C1314 WeakPolarHBondContact SG-CA 3.23Å; C1282-C1314 WeakPolarHBondContact SG-CB 3.25Å; C1282-C1314 CovalentContact SG-SG 2.03Å; C1282-C1314 PolarHBondContact SG-SG 2.72Å; D1294-C1314 VanDerWaalsContact CA-O 3.23Å; D1294-C1314 WeakPolarHBondContact CA-O 3.14Å; G1295-C1314 PolarHBondContact N-O 3.11Å; G1295-C1314 VanDerWaalsContact N-O 3.07Å; G1295-C1314 PolarHBondContact O-N 3.17Å; Y1297-C1314 HydrophobicContact CD2-CB 3.85Å; Y1297-C1314 HydrophobicContact CE2-CB 4.45Å; C1314-L1316 HydrophobicContact CB-CD2 3.52Å; C1314-L1316 HydrophobicContact CB-CG 3.83Å; C1314-L1316 PolarHBondContact O-N 3.23Å
1315R94.8Very high92.9Very high84 Ų8439.6 Ų39.632%0.31720%0.202SC..EExtended strand (participates in β ladder)trans-9279.1160.9-171.6-180-67.1133-0.5107.8Y1313 S1317 G1318 L1319 E1320Y1313-R1315 HydrophobicContact CE1-CB 4.2Å; R1315-S1317 VanDerWaalsContact CG-OG 3.27Å; R1315-S1317 WeakPolarHBondContact CG-OG 3.46Å; R1315-S1317 PolarHBondContact O-N 2.88Å; R1315-G1318 CarbonylContact O-C 3.56Å; R1315-G1318 PolarHBondContact O-N 2.97Å; R1315-L1319 PolarHBondContact O-N 3.48Å; R1315-E1320 HydrophobicContact CB-CB 4.22Å; R1315-E1320 WeakPolarHBondContact CD-OE2 3Å; R1315-E1320 IonicContact CZ-OE2 3.47Å; R1315-E1320 PolarHBondContact N-O 2.04Å; R1315-E1320 IonicContact NE-OE2 3.61Å; R1315-E1320 IonicContact NH1-OE1 3.73Å; R1315-E1320 IonicContact NH1-OE2 3.57Å; R1315-E1320 PolarHBondContact NH1-OE2 3.47Å; R1315-E1320 PolarHBondContact O-N 3.11Å
1316L92.2Very high93Very high3 Ų340.3 Ų40.32%0.01621%0.21CC..THydrogen-bonded Turntrans-63.1-23.9-179.2-55.9179.1000112.4C1282 L1285 K1286 K1292 K1293 D1294 Y1297 C1314 G1318 L1319C1282-L1316 HydrophobicContact CB-CD2 4.07Å; C1282-L1316 WeakPolarHBondContact O-CD2 3.23Å; L1285-L1316 HydrophobicContact CB-CD2 4.39Å; L1285-L1316 HydrophobicContact CD2-CD2 4.32Å; L1285-L1316 HydrophobicContact CG-CD2 4.41Å; K1286-L1316 HydrophobicContact CB-CB 4.3Å; K1286-L1316 HydrophobicContact CB-CD2 4.01Å; K1286-L1316 HydrophobicContact CD-CB 3.89Å; K1286-L1316 HydrophobicContact CD-CD1 4.39Å; K1286-L1316 HydrophobicContact CG-CB 4.14Å; K1292-L1316 HydrophobicContact CB-CD1 3.41Å; K1292-L1316 VanDerWaalsContact CB-CD1 3.41Å; K1293-L1316 WeakPolarHBondContact O-CD1 3.39Å; D1294-L1316 WeakPolarHBondContact OD1-CA 3.47Å; D1294-L1316 WeakPolarHBondContact OD1-CB 3.16Å; D1294-L1316 PolarHBondContact OD1-N 3.4Å; Y1297-L1316 HydrophobicContact CE2-CD1 4.18Å; C1314-L1316 HydrophobicContact CB-CD2 3.52Å; C1314-L1316 HydrophobicContact CB-CG 3.83Å; C1314-L1316 PolarHBondContact O-N 3.23Å; L1316-G1318 VanDerWaalsContact C-N 3.26Å; L1316-G1318 PolarHBondContact O-N 3.13Å; L1316-L1319 PolarHBondContact O-N 2.95Å
1317S89.8Confident92.8Very high75 Ų7540 Ų4052%0.52422%0.217SC..THydrogen-bonded Turntrans-64.6-26.2169.860.60000113.9D1294 R1315D1294-S1317 PolarHBondContact OD1-N 2.85Å; D1294-S1317 WeakPolarHBondContact OD2-CB 3Å; D1294-S1317 PolarHBondContact OD2-OG 3.4Å; R1315-S1317 VanDerWaalsContact CG-OG 3.27Å; R1315-S1317 WeakPolarHBondContact CG-OG 3.46Å; R1315-S1317 PolarHBondContact O-N 2.88Å
1318G87.4Confident92.3Very high27 Ų2736 Ų3628%0.27821%0.205SC..THydrogen-bonded Turntrans-108.9-3.5174.800000114.3R1315 L1316 E1320 G1470R1315-G1318 CarbonylContact O-C 3.56Å; R1315-G1318 PolarHBondContact O-N 2.97Å; L1316-G1318 VanDerWaalsContact C-N 3.26Å; L1316-G1318 PolarHBondContact O-N 3.13Å; G1318-E1320 VanDerWaalsContact C-N 3.29Å; G1318-G1470 WeakPolarHBondContact O-CA 3.29Å
1319L92.3Very high91.6Very high33 Ų3340 Ų4017%0.17322%0.222CC..THydrogen-bonded Turntrans58.436.2-169.1-53.1173.8000113.5H1283 K1286 R1315 L1316 G1470H1283-L1319 HydrophobicContact CB-CB 4.5Å; K1286-L1319 HydrophobicContact CB-CD2 3.58Å; K1286-L1319 HydrophobicContact CG-CD2 3.59Å; R1315-L1319 PolarHBondContact O-N 3.48Å; L1316-L1319 PolarHBondContact O-N 2.95Å; L1319-G1470 PolarHBondContact O-N 3.26Å
1320E94.5Very high91Very high22 Ų2240.9 Ų40.910%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-106.1137.6-177.3-51.5170.2158.500112.5C1282 R1315 G1318 C1467 Y1468C1282-E1320 WeakPolarHBondContact CB-O 3.03Å; R1315-E1320 HydrophobicContact CB-CB 4.22Å; R1315-E1320 WeakPolarHBondContact CD-OE2 3Å; R1315-E1320 IonicContact CZ-OE2 3.47Å; R1315-E1320 PolarHBondContact N-O 2.04Å; R1315-E1320 IonicContact NE-OE2 3.61Å; R1315-E1320 IonicContact NH1-OE1 3.73Å; R1315-E1320 IonicContact NH1-OE2 3.57Å; R1315-E1320 PolarHBondContact NH1-OE2 3.47Å; R1315-E1320 PolarHBondContact O-N 3.11Å; G1318-E1320 VanDerWaalsContact C-N 3.29Å; E1320-C1467 HydrophobicContact CB-CB 4.2Å; E1320-Y1468 CarbonylContact C-O 2.86Å; E1320-Y1468 WeakPolarHBondContact CA-O 3.44Å
1321T96.4Very high90.2Very high3 Ų344 Ų442%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-96.5108.6164.5-67.70000109.5C1282 V1299 V1312 L1369 C1467 Y1468C1282-T1321 WeakPolarHBondContact CB-OG1 3.32Å; C1282-T1321 PolarHBondContact N-OG1 3.45Å; C1282-T1321 PolarHBondContact SG-OG1 2.97Å; V1299-T1321 HydrophobicContact CG2-CG2 4.34Å; V1312-T1321 HydrophobicContact CB-CG2 4.02Å; V1312-T1321 HydrophobicContact CG1-CG2 3.93Å; V1312-T1321 HydrophobicContact CG2-CG2 4.02Å; T1321-L1369 HydrophobicContact CG2-CD1 3.87Å; T1321-L1369 HydrophobicContact CG2-CD2 3.78Å; T1321-L1369 HydrophobicContact CG2-CG 4.49Å; T1321-C1467 WeakPolarHBondContact O-CA 3.19Å; T1321-Y1468 PolarHBondContact N-O 3Å; T1321-Y1468 PolarHBondContact O-N 3.36Å
1322C96.4Very high89.6Confident2 Ų243.2 Ų43.21%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-102.6128.9-179.6-55.80000112.5Y1313 I1466 C1467Y1313-C1322 HydrophobicContact CD1-CB 4.38Å; Y1313-C1322 PolarHBondContact N-O 2.96Å; Y1313-C1322 WeakPolarHBondContact O-CA 3.38Å; Y1313-C1322 VanDerWaalsContact O-CB 3.3Å; Y1313-C1322 WeakPolarHBondContact O-CB 3.44Å; Y1313-C1322 PolarHBondContact O-N 3Å; C1322-I1466 CarbonylContact C-O 3.44Å; C1322-I1466 VanDerWaalsContact CA-O 3.3Å; C1322-I1466 WeakPolarHBondContact CA-O 3.26Å; C1322-C1467 HydrophobicContact CB-CB 4.14Å; C1322-C1467 WeakPolarHBondContact CB-SG 3.4Å; C1322-C1467 WeakPolarHBondContact SG-CB 3.28Å; C1322-C1467 CovalentContact SG-SG 2.05Å; C1322-C1467 PolarHBondContact SG-SG 3.17Å
1323V95.7Very high89Confident2 Ų243.2 Ų43.21%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-111.3131177.6-175.10000109.3V1312 I1361 L1369 T1465 I1466V1312-V1323 HydrophobicContact CG1-CG2 4.2Å; V1323-I1361 HydrophobicContact CG1-CB 3.88Å; V1323-I1361 HydrophobicContact CG1-CG2 3.81Å; V1323-I1361 HydrophobicContact CG2-CD1 4.1Å; V1323-L1369 HydrophobicContact CG2-CD2 4.11Å; V1323-T1465 WeakPolarHBondContact O-CA 3.43Å; V1323-I1466 HydrophobicContact CB-CG2 4.01Å; V1323-I1466 PolarHBondContact N-O 2.81Å; V1323-I1466 WeakPolarHBondContact O-CG2 3.32Å; V1323-I1466 PolarHBondContact O-N 3.35Å
1324S93.8Very high88.4Confident36 Ų3643.6 Ų43.625%0.25224%0.242SC..  trans-80.9149.4174.6-660000112.3N1360 T1465S1324-N1360 PolarHBondContact O-N 2.82Å; S1324-N1360 PolarHBondContact O-ND2 3.23Å; S1324-T1465 VanDerWaalsContact OG-CG2 3.32Å; S1324-T1465 WeakPolarHBondContact OG-CG2 3.04Å
1325P92.6Very high87.6Confident3 Ų344 Ų442%0.01924%0.244CC..BIsolated β-bridgetrans-62.6158.9163.631.2-36.6000110.9T1327 E1328 E1358 Y1359 N1360 V1463P1325-T1327 PolarHBondContact O-N 3.25Å; P1325-E1328 HydrophobicContact CG-CB 4.48Å; P1325-E1328 HydrophobicContact CG-CG 3.88Å; P1325-E1358 WeakPolarHBondContact CA-O 3.23Å; P1325-Y1359 HydrophobicContact CB-CD1 4.01Å; P1325-Y1359 HydrophobicContact CB-CE1 3.96Å; P1325-N1360 PolarHBondContact O-ND2 3.2Å; P1325-N1360 VanDerWaalsContact O-ND2 3.08Å; P1325-V1463 HydrophobicContact CB-CB 4.2Å; P1325-V1463 HydrophobicContact CB-CG1 3.83Å; P1325-V1463 HydrophobicContact CG-CB 4Å; P1325-V1463 HydrophobicContact CG-CG1 3.88Å; P1325-V1463 WeakPolarHBondContact CG-O 3.48Å
1326V88.9Confident86.4Confident73 Ų7342.4 Ų42.444%0.44225%0.246SC..SBendtrans-66.1-24.2170.9176.50000111E1358 N1360V1326-E1358 HydrophobicContact CB-CB 4.29Å; V1326-E1358 HydrophobicContact CG2-CB 3.89Å; V1326-E1358 HydrophobicContact CG2-CG 3.77Å; V1326-E1358 PolarHBondContact N-O 3.46Å; V1326-N1360 WeakPolarHBondContact CG2-OD1 3.39Å
1327T83.7Confident85Confident69 Ų6949.5 Ų49.542%0.42328%0.279SS..  trans-141.7108.4179-60.50000109.8P1325 Q1329 M1330P1325-T1327 PolarHBondContact O-N 3.25Å; T1327-Q1329 VanDerWaalsContact CG2-O 3.29Å; T1327-Q1329 WeakPolarHBondContact CG2-O 3.33Å; T1327-M1330 HydrophobicContact CG2-CG 4.18Å
1328E77.5Confident83.7Confident77 Ų7747.3 Ų47.336%0.3626%0.262SS..SBendtrans-74.6-43.8-177.3-64.3176.114400112N17 P1325 E1462 V1463N17-E1328 PolarHBondContact ND2-OE2 2.91Å; P1325-E1328 HydrophobicContact CG-CB 4.48Å; P1325-E1328 HydrophobicContact CG-CG 3.88Å; E1328-E1462 CarbonylContact O-C 3.6Å; E1328-E1462 VanDerWaalsContact O-CA 3.3Å; E1328-E1462 WeakPolarHBondContact O-CA 3.49Å; E1328-V1463 PolarHBondContact O-N 3.16Å
1329Q76.9Confident82.6Confident144 Ų14456.1 Ų56.167%0.67329%0.293SS*.BIsolated β-bridgetrans-108.4118174.5-91.8-175.8-22.300111.1T1327 E1462T1327-Q1329 VanDerWaalsContact CG2-O 3.29Å; T1327-Q1329 WeakPolarHBondContact CG2-O 3.33Å; Q1329-E1462 HydrophobicContact CG-CG 3.5Å; Q1329-E1462 PolarHBondContact NE2-OE1 2.79Å
1330M78.7Confident81.3Confident31 Ų3159 Ų5915%0.15331%0.306CS..PPolyproline II helixtrans-96.7148.2173.7-59.1-168.5168.600111.5T1327 Y1345 L1349 I1357 L1461 V1463T1327-M1330 HydrophobicContact CG2-CG 4.18Å; M1330-Y1345 HydrophobicContact CB-CE1 3.67Å; M1330-Y1345 HydrophobicContact CG-CE1 4.39Å; M1330-Y1345 HydrophobicContact SD-CD1 4.12Å; M1330-Y1345 HydrophobicContact SD-CE1 3.89Å; M1330-L1349 HydrophobicContact CB-CD1 4.12Å; M1330-I1357 HydrophobicContact CE-CB 4.5Å; M1330-I1357 HydrophobicContact CE-CG1 4.04Å; M1330-I1357 HydrophobicContact CE-CG2 4.17Å; M1330-L1461 HydrophobicContact CB-CB 4.43Å; M1330-L1461 PolarHBondContact N-O 3.17Å; M1330-L1461 HydrophobicContact SD-CD2 4.24Å; M1330-V1463 HydrophobicContact CE-CG2 4.16Å; M1330-V1463 HydrophobicContact SD-CG2 4.45Å
1331S79.4Confident80.4Confident79 Ų7965 Ų6555%0.55233%0.331SS*.PPolyproline II helixtrans-57.9146.9-178.721.40000112.8Y1345 L1349S1331-Y1345 PolarHBondContact O-OH 2.7Å; S1331-L1349 WeakPolarHBondContact OG-CD2 3.3Å
1332S82.2Confident79.7Confident47 Ų4771.6 Ų71.633%0.32936%0.356SS..PPolyproline II helixtrans-73.2152.5179.769.70000112.7E1458 L1459S1332-E1458 WeakPolarHBondContact CB-OE1 3.48Å; S1332-E1458 PolarHBondContact OG-OE1 3.15Å; S1332-L1459 CarbonylContact C-O 3.57Å; S1332-L1459 WeakPolarHBondContact CA-O 3.38Å; S1332-L1459 WeakPolarHBondContact CB-O 3.42Å
1333I83.1Confident79.1Confident4 Ų471.8 Ų71.82%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-125.5128.3-174.560174.2000110.6L1335 Y1345 F1348 L1349 I1449 E1458 L1459I1333-L1335 HydrophobicContact CD1-CD2 4.28Å; I1333-L1335 HydrophobicContact CG1-CD2 4.4Å; I1333-Y1345 HydrophobicContact CD1-CD2 3.59Å; I1333-Y1345 HydrophobicContact CD1-CE2 3.58Å; I1333-Y1345 HydrophobicContact CD1-CG 4.42Å; I1333-Y1345 HydrophobicContact CG1-CE2 4.06Å; I1333-F1348 HydrophobicContact CB-CD1 3.8Å; I1333-F1348 HydrophobicContact CB-CE1 3.75Å; I1333-F1348 HydrophobicContact CG2-CD1 3.4Å; I1333-F1348 VanDerWaalsContact CG2-CD1 3.4Å; I1333-F1348 HydrophobicContact CG2-CE1 3.7Å; I1333-L1349 HydrophobicContact CG2-CD1 4.45Å; I1333-L1349 HydrophobicContact CG2-CD2 3.44Å; I1333-L1349 VanDerWaalsContact CG2-CD2 3.44Å; I1333-L1349 HydrophobicContact CG2-CG 3.78Å; I1333-I1449 HydrophobicContact CD1-CD1 3.37Å; I1333-E1458 WeakPolarHBondContact O-CA 3.42Å; I1333-L1459 HydrophobicContact CD1-CB 4.26Å; I1333-L1459 HydrophobicContact CD1-CD2 4.34Å; I1333-L1459 HydrophobicContact CG1-CB 3.81Å; I1333-L1459 PolarHBondContact N-O 3.4Å; I1333-L1459 PolarHBondContact O-N 3.28Å
1334Y84Confident78.7Confident102 Ų10275.2 Ų75.240%0.437%0.37SS..EExtended strand (participates in β ladder)trans-96.3104.5-179.6-66.5-80.2000110S1336 Q1337 E1458Y1334-S1336 PolarHBondContact O-N 3.27Å; Y1334-S1336 VanDerWaalsContact O-N 3.17Å; Y1334-Q1337 PolarHBondContact O-N 3.39Å; Y1334-E1458 HydrophobicContact CD1-CB 3.93Å; Y1334-E1458 HydrophobicContact CD1-CG 4.2Å; Y1334-E1458 HydrophobicContact CE1-CB 3.84Å; Y1334-E1458 HydrophobicContact CE1-CG 3.79Å; Y1334-E1458 VanDerWaalsContact OH-CD 3.29Å; Y1334-E1458 PolarHBondContact OH-OE1 3.12Å
1335L78.9Confident78.4Confident8 Ų873.7 Ų73.74%0.04236%0.358CS..G310 helixtrans-64.6-24.5-172.2-56.7-177.6000112.6I1333 Q1337 T1338 I1387 I1449 T1451 L1454 S1457I1333-L1335 HydrophobicContact CD1-CD2 4.28Å; I1333-L1335 HydrophobicContact CG1-CD2 4.4Å; L1335-Q1337 PolarHBondContact O-N 2.87Å; L1335-Q1337 VanDerWaalsContact O-N 3.13Å; L1335-T1338 WeakPolarHBondContact O-CB 3.32Å; L1335-T1338 PolarHBondContact O-N 3.28Å; L1335-T1338 VanDerWaalsContact O-N 3.08Å; L1335-T1338 PolarHBondContact O-OG1 3.09Å; L1335-I1387 HydrophobicContact CD1-CD1 4.12Å; L1335-I1449 HydrophobicContact CD1-CG2 4.29Å; L1335-I1449 HydrophobicContact CD2-CG2 4.08Å; L1335-T1451 HydrophobicContact CB-CG2 4.34Å; L1335-T1451 HydrophobicContact CD2-CG2 4.17Å; L1335-L1454 HydrophobicContact CD1-CB 4.22Å; L1335-L1454 HydrophobicContact CD1-CD1 4.1Å; L1335-S1457 PolarHBondContact N-O 3.43Å
1336S69.9Low77.9Confident51 Ų5173.9 Ų73.936%0.35736%0.359SS..G310 helixtrans-59.4-20.1178.358.40000115Y1334 T1338Y1334-S1336 PolarHBondContact O-N 3.27Å; Y1334-S1336 VanDerWaalsContact O-N 3.17Å; S1336-T1338 VanDerWaalsContact C-N 3.34Å
1337Q63.9Low77.5Confident152 Ų15272.1 Ų72.171%0.7135%0.346SS*.G310 helixtrans-85.4-7.3178.9-57.1-171.514.700113.1Y1334 L1335Y1334-Q1337 PolarHBondContact O-N 3.39Å; L1335-Q1337 PolarHBondContact O-N 2.87Å; L1335-Q1337 VanDerWaalsContact O-N 3.13Å
1338T61.3Low77.1Confident29 Ų2971.8 Ų71.818%0.17834%0.339CS..  trans-98.3138.8-167.1710000112.5L1335 S1336 L1343 F1348L1335-T1338 WeakPolarHBondContact O-CB 3.32Å; L1335-T1338 PolarHBondContact O-N 3.28Å; L1335-T1338 VanDerWaalsContact O-N 3.08Å; L1335-T1338 PolarHBondContact O-OG1 3.09Å; S1336-T1338 VanDerWaalsContact C-N 3.34Å; T1338-L1343 HydrophobicContact CG2-CD1 4Å; T1338-L1343 HydrophobicContact CG2-CD2 3.77Å; T1338-F1348 HydrophobicContact CG2-CD2 3.99Å; T1338-F1348 HydrophobicContact CG2-CE2 3.6Å; T1338-F1348 HydrophobicContact CG2-CZ 4.47Å
1339K65Low76.9Confident211 Ų21170.3 Ų70.392%0.91733%0.334SS*.  trans-106.5-18.3171.4-74.6-174.5178.2177.90113.7
1340Q65Low76.4Confident95 Ų9568 Ų6844%0.44432%0.324SS..  trans-68.5134171.3-71.7154.2-68.400108.8R1342 L1343 E1347 T1451Q1340-R1342 VanDerWaalsContact C-N 3.28Å; Q1340-L1343 HydrophobicContact CB-CD1 3.95Å; Q1340-L1343 HydrophobicContact CB-CG 3.97Å; Q1340-L1343 WeakPolarHBondContact O-CD1 3.4Å; Q1340-E1347 PolarHBondContact NE2-OE1 3.01Å; Q1340-T1451 PolarHBondContact O-OG1 3.18Å
1341K75.5Confident75.6Confident146 Ų14675.6 Ų75.664%0.63536%0.356SS*.SBendtrans-74-17.2175.5-84.3-165.8168.7-151.60114.4T1450 T1451 N1452K1341-T1450 CarbonylContact O-C 3.54Å; K1341-T1450 WeakPolarHBondContact O-CA 3.37Å; K1341-T1451 WeakPolarHBondContact CA-OG1 3.4Å; K1341-T1451 PolarHBondContact O-N 3.36Å; K1341-T1451 PolarHBondContact O-OG1 2.71Å; K1341-N1452 WeakPolarHBondContact CE-OD1 3.41Å; K1341-N1452 PolarHBondContact NZ-OD1 2.92Å; K1341-N1452 VanDerWaalsContact NZ-OD1 3.16Å
1342R81.4Confident74.7Confident142 Ų14273.9 Ų73.954%0.53634%0.344SS..EExtended strand (participates in β ladder)trans-139.2128.1177.8-75.4178.3170.8170.3-6106.8Q1340 I1449 T1450Q1340-R1342 VanDerWaalsContact C-N 3.28Å; R1342-I1449 VanDerWaalsContact CA-O 3.27Å; R1342-I1449 WeakPolarHBondContact CA-O 3.48Å; R1342-T1450 HydrophobicContact CG-CG2 4.29Å
1343L84.3Confident73.4Confident7 Ų779.7 Ų79.74%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-127.2153171.8-66.596000109.3T1338 Q1340 F1348 R1448 I1449 T1451T1338-L1343 HydrophobicContact CG2-CD1 4Å; T1338-L1343 HydrophobicContact CG2-CD2 3.77Å; Q1340-L1343 HydrophobicContact CB-CD1 3.95Å; Q1340-L1343 HydrophobicContact CB-CG 3.97Å; Q1340-L1343 WeakPolarHBondContact O-CD1 3.4Å; L1343-F1348 HydrophobicContact CD2-CB 4.2Å; L1343-F1348 HydrophobicContact CD2-CD2 3.67Å; L1343-F1348 HydrophobicContact CD2-CG 4.34Å; L1343-R1448 CarbonylContact O-C 3.5Å; L1343-R1448 WeakPolarHBondContact O-CA 3.27Å; L1343-I1449 PolarHBondContact N-O 2.79Å; L1343-I1449 PolarHBondContact O-N 2.78Å; L1343-T1451 HydrophobicContact CD1-CG2 3.95Å
1344W87.5Confident72.1Confident74 Ų7486.8 Ų86.828%0.2840%0.404SS..EExtended strand (participates in β ladder)trans-86.8145.3159.3-64.1106000110.6S1346 E1347 F1348 L1397 L1403 D1446 R1448W1344-S1346 VanDerWaalsContact C-N 3.3Å; W1344-S1346 PolarHBondContact O-N 2.86Å; W1344-E1347 HydrophobicContact CB-CB 3.82Å; W1344-E1347 PolarHBondContact N-OE2 2.87Å; W1344-E1347 PolarHBondContact O-N 3.14Å; W1344-F1348 PolarHBondContact O-N 3.28Å; W1344-L1397 HydrophobicContact CH2-CB 4.18Å; W1344-L1397 HydrophobicContact CH2-CD1 4.03Å; W1344-L1397 HydrophobicContact CH2-CD2 4.25Å; W1344-L1397 HydrophobicContact CH2-CG 4.4Å; W1344-L1397 HydrophobicContact CZ3-CB 3.86Å; W1344-L1397 HydrophobicContact CZ3-CD2 4.26Å; W1344-L1397 HydrophobicContact CZ3-CG 4.46Å; W1344-L1403 HydrophobicContact CH2-CD1 3.65Å; W1344-L1403 HydrophobicContact CZ3-CD1 4.26Å; W1344-D1446 HydrophobicContact CE3-CB 3.72Å; W1344-D1446 HydrophobicContact CZ3-CB 4Å; W1344-R1448 HydrophobicContact CD2-CB 4.34Å; W1344-R1448 HydrophobicContact CD2-CG 4.29Å; W1344-R1448 HydrophobicContact CE3-CB 3.75Å; W1344-R1448 HydrophobicContact CE3-CG 4.2Å; W1344-R1448 HydrophobicContact CH2-CB 3.94Å; W1344-R1448 HydrophobicContact CH2-CG 4.24Å; W1344-R1448 HydrophobicContact CZ2-CB 4.48Å; W1344-R1448 HydrophobicContact CZ2-CG 4.3Å; W1344-R1448 HydrophobicContact CZ3-CB 3.53Å; W1344-R1448 HydrophobicContact CZ3-CG 4.18Å
1345Y87.3Confident71.5Confident3 Ų384 Ų841%0.01240%0.398CS..Hα-helixtrans-64-41.4-179.3-168.3-79.5000110.4M1330 S1331 I1333 L1349 D1446 I1447 I1449 L1459 S1460 L1461M1330-Y1345 HydrophobicContact CB-CE1 3.67Å; M1330-Y1345 HydrophobicContact CG-CE1 4.39Å; M1330-Y1345 HydrophobicContact SD-CD1 4.12Å; M1330-Y1345 HydrophobicContact SD-CE1 3.89Å; S1331-Y1345 PolarHBondContact O-OH 2.7Å; I1333-Y1345 HydrophobicContact CD1-CD2 3.59Å; I1333-Y1345 HydrophobicContact CD1-CE2 3.58Å; I1333-Y1345 HydrophobicContact CD1-CG 4.42Å; I1333-Y1345 HydrophobicContact CG1-CE2 4.06Å; Y1345-L1349 HydrophobicContact CD1-CD1 3.91Å; Y1345-L1349 HydrophobicContact CE1-CD1 3.3Å; Y1345-L1349 HydrophobicContact CE1-CG 4.24Å; Y1345-L1349 PolarHBondContact O-N 3.5Å; Y1345-D1446 PolarHBondContact N-OD1 3.03Å; Y1345-I1447 WeakPolarHBondContact CB-O 3.45Å; Y1345-I1447 PolarHBondContact N-O 2.79Å; Y1345-I1449 HydrophobicContact CD2-CD1 4.03Å; Y1345-L1459 HydrophobicContact CD2-CD2 4.29Å; Y1345-L1459 HydrophobicContact CE2-CD2 4.18Å; Y1345-S1460 WeakPolarHBondContact OH-CA 3.36Å; Y1345-L1461 HydrophobicContact CD1-CB 4.44Å; Y1345-L1461 HydrophobicContact CD1-CD2 4.17Å; Y1345-L1461 HydrophobicContact CD2-CB 4.34Å; Y1345-L1461 HydrophobicContact CE1-CB 3.8Å; Y1345-L1461 HydrophobicContact CE1-CD2 4.26Å; Y1345-L1461 HydrophobicContact CE2-CB 3.69Å; Y1345-L1461 HydrophobicContact CG-CD2 4.37Å; Y1345-L1461 VanDerWaalsContact CZ-CB 3.41Å; Y1345-L1461 PolarHBondContact OH-N 2.87Å
1346S81.5Confident71.7Confident7 Ų787.1 Ų87.15%0.04941%0.412CS..Hα-helixtrans-61.2-50.7174.866.60000113.1W1344 F1348 L1349 M1350 T1355 D1446W1344-S1346 VanDerWaalsContact C-N 3.3Å; W1344-S1346 PolarHBondContact O-N 2.86Å; S1346-F1348 VanDerWaalsContact C-N 3.3Å; S1346-F1348 PolarHBondContact O-N 3.07Å; S1346-L1349 PolarHBondContact O-N 2.92Å; S1346-M1350 WeakPolarHBondContact O-CB 3.37Å; S1346-M1350 PolarHBondContact O-N 2.7Å; S1346-T1355 WeakPolarHBondContact CB-O 3.46Å; S1346-T1355 PolarHBondContact OG-O 2.93Å; S1346-D1446 VanDerWaalsContact CB-OD2 3.29Å; S1346-D1446 WeakPolarHBondContact CB-OD2 3.43Å; S1346-D1446 PolarHBondContact N-OD1 3.21Å; S1346-D1446 PolarHBondContact OG-OD2 2.89Å
1347E79.8Confident72.6Confident36 Ų3685 Ų8517%0.16840%0.397CS..Hα-helixtrans-55.5-45-177.5-179.6-161.3153.400110.8Q1340 W1344 K1351 S1352Q1340-E1347 PolarHBondContact NE2-OE1 3.01Å; W1344-E1347 HydrophobicContact CB-CB 3.82Å; W1344-E1347 PolarHBondContact N-OE2 2.87Å; W1344-E1347 PolarHBondContact O-N 3.14Å; E1347-K1351 WeakPolarHBondContact O-CA 3.3Å; E1347-K1351 PolarHBondContact O-N 3.07Å; E1347-S1352 WeakPolarHBondContact CA-O 3.42Å
1348F76.4Confident73.8Confident63 Ų6384 Ų8428%0.27639%0.392SS..Hα-helixtrans-68.6-43.2-179.8-175.4-91.2000112.9I1333 T1338 L1343 W1344 S1346I1333-F1348 HydrophobicContact CB-CD1 3.8Å; I1333-F1348 HydrophobicContact CB-CE1 3.75Å; I1333-F1348 HydrophobicContact CG2-CD1 3.4Å; I1333-F1348 VanDerWaalsContact CG2-CD1 3.4Å; I1333-F1348 HydrophobicContact CG2-CE1 3.7Å; T1338-F1348 HydrophobicContact CG2-CD2 3.99Å; T1338-F1348 HydrophobicContact CG2-CE2 3.6Å; T1338-F1348 HydrophobicContact CG2-CZ 4.47Å; L1343-F1348 HydrophobicContact CD2-CB 4.2Å; L1343-F1348 HydrophobicContact CD2-CD2 3.67Å; L1343-F1348 HydrophobicContact CD2-CG 4.34Å; W1344-F1348 PolarHBondContact O-N 3.28Å; S1346-F1348 VanDerWaalsContact C-N 3.3Å; S1346-F1348 PolarHBondContact O-N 3.07Å
1349L73.5Confident75.3Confident46 Ų4683.1 Ų83.124%0.24139%0.385CS..Hα-helixtrans-75.6-49-178-76.6-175.3000113.1M1330 S1331 I1333 Y1345 S1346M1330-L1349 HydrophobicContact CB-CD1 4.12Å; S1331-L1349 WeakPolarHBondContact OG-CD2 3.3Å; I1333-L1349 HydrophobicContact CG2-CD1 4.45Å; I1333-L1349 HydrophobicContact CG2-CD2 3.44Å; I1333-L1349 VanDerWaalsContact CG2-CD2 3.44Å; I1333-L1349 HydrophobicContact CG2-CG 3.78Å; Y1345-L1349 HydrophobicContact CD1-CD1 3.91Å; Y1345-L1349 HydrophobicContact CE1-CD1 3.3Å; Y1345-L1349 HydrophobicContact CE1-CG 4.24Å; Y1345-L1349 PolarHBondContact O-N 3.5Å; S1346-L1349 PolarHBondContact O-N 2.92Å
1350M65.5Low76.6Confident94 Ų9477.1 Ų77.146%0.46336%0.363SS..Hα-helixtrans-92.4-5.9-173-67.5-173.9-95.400113.2S1346 S1352 T1355S1346-M1350 WeakPolarHBondContact O-CB 3.37Å; S1346-M1350 PolarHBondContact O-N 2.7Å; M1350-S1352 PolarHBondContact O-N 2.92Å; M1350-T1355 HydrophobicContact CB-CG2 4.06Å; M1350-T1355 WeakPolarHBondContact CB-OG1 3.48Å; M1350-T1355 HydrophobicContact CE-CG2 4.29Å; M1350-T1355 HydrophobicContact SD-CG2 3.67Å
1351K62.8Low78Confident191 Ų19173.5 Ų73.583%0.8335%0.347SS*.SBendtrans56.332.8177.7-59.4178.3-179.6172.90113.5E1347E1347-K1351 WeakPolarHBondContact O-CA 3.3Å; E1347-K1351 PolarHBondContact O-N 3.07Å
1352S59.5Low78.8Confident44 Ų4469.4 Ų69.431%0.30834%0.335SS..  trans-139134.8177.3109.80000109.5E1347 M1350 N1354 T1355E1347-S1352 WeakPolarHBondContact CA-O 3.42Å; M1350-S1352 PolarHBondContact O-N 2.92Å; S1352-N1354 PolarHBondContact O-N 2.76Å; S1352-T1355 PolarHBondContact O-OG1 2.78Å; S1352-T1355 WeakPolarHBondContact OG-CG2 3.39Å; S1352-T1355 PolarHBondContact OG-N 3.29Å; S1352-T1355 PolarHBondContact OG-OG1 3.43Å
1353E55Low79.3Confident169 Ų16969.9 Ų69.979%0.7934%0.341SS*.THydrogen-bonded Turntrans-73.7-6.4-174.3-60.8177.8159.500113.8
1354N56.4Low79.6Confident153 Ų15373.7 Ų73.782%0.81836%0.362SS*.THydrogen-bonded Turntrans-123.4-2.3-172.6-77.7-24.8000114.8S1352S1352-N1354 PolarHBondContact O-N 2.76Å
1355T71.4Confident79.9Confident42 Ų4270.1 Ų70.126%0.25835%0.348SS..  trans-67.9138170.728.30000109.8S1346 M1350 S1352S1346-T1355 WeakPolarHBondContact CB-O 3.46Å; S1346-T1355 PolarHBondContact OG-O 2.93Å; M1350-T1355 HydrophobicContact CB-CG2 4.06Å; M1350-T1355 WeakPolarHBondContact CB-OG1 3.48Å; M1350-T1355 HydrophobicContact CE-CG2 4.29Å; M1350-T1355 HydrophobicContact SD-CG2 3.67Å; S1352-T1355 PolarHBondContact O-OG1 2.78Å; S1352-T1355 WeakPolarHBondContact OG-CG2 3.39Å; S1352-T1355 PolarHBondContact OG-N 3.29Å; S1352-T1355 PolarHBondContact OG-OG1 3.43Å
1356Q83.2Confident80.3Confident74 Ų7470.1 Ų70.135%0.34635%0.348SS..  trans-131.4172.2177.5-73.4-172.5-20.100109.9E1358 R1445Q1356-E1358 PolarHBondContact O-N 3.18Å; Q1356-R1445 HydrophobicContact CB-CB 4.39Å; Q1356-R1445 HydrophobicContact CG-CB 4.43Å
1357I88.6Confident80.9Confident6 Ų672.5 Ų72.53%0.03136%0.362CS..  trans-64.2120.8170.7-55.6168.4000108.9M1330 Y1359 I1444 R1445 L1461 V1463M1330-I1357 HydrophobicContact CE-CB 4.5Å; M1330-I1357 HydrophobicContact CE-CG1 4.04Å; M1330-I1357 HydrophobicContact CE-CG2 4.17Å; I1357-Y1359 HydrophobicContact CB-CE2 4.1Å; I1357-Y1359 HydrophobicContact CG2-CD2 4.41Å; I1357-Y1359 HydrophobicContact CG2-CE1 4.43Å; I1357-Y1359 HydrophobicContact CG2-CE2 3.58Å; I1357-Y1359 WeakPolarHBondContact CG2-OH 3.48Å; I1357-Y1359 WeakPolarHBondContact O-CE2 3.35Å; I1357-I1444 HydrophobicContact CD1-CG2 4.44Å; I1357-R1445 WeakPolarHBondContact CG1-O 3.34Å; I1357-R1445 PolarHBondContact N-O 3.47Å; I1357-R1445 PolarHBondContact O-NH1 2.66Å; I1357-R1445 VanDerWaalsContact O-NH1 3.15Å; I1357-L1461 HydrophobicContact CD1-CD2 4.27Å; I1357-V1463 HydrophobicContact CD1-CG2 4.1Å; I1357-V1463 HydrophobicContact CG2-CG1 4.02Å; I1357-V1463 HydrophobicContact CG2-CG2 4.17Å
1358E88.9Confident81.6Confident132 Ų13274.9 Ų74.962%0.61737%0.372SS*.  trans-100.7150.5179-162.6169.6-143.500111.2P1325 V1326 Q1356P1325-E1358 WeakPolarHBondContact CA-O 3.23Å; V1326-E1358 HydrophobicContact CB-CB 4.29Å; V1326-E1358 HydrophobicContact CG2-CB 3.89Å; V1326-E1358 HydrophobicContact CG2-CG 3.77Å; V1326-E1358 PolarHBondContact N-O 3.46Å; Q1356-E1358 PolarHBondContact O-N 3.18Å
1359Y92.7Very high82.5Confident10 Ų1071.9 Ų71.94%0.03936%0.359CS..BIsolated β-bridgetrans-130.2153.7-175.1-64.3-94.6000110.1P1325 I1357 I1361 Q1378 P1443 I1444 V1463 I1466P1325-Y1359 HydrophobicContact CB-CD1 4.01Å; P1325-Y1359 HydrophobicContact CB-CE1 3.96Å; I1357-Y1359 HydrophobicContact CB-CE2 4.1Å; I1357-Y1359 HydrophobicContact CG2-CD2 4.41Å; I1357-Y1359 HydrophobicContact CG2-CE1 4.43Å; I1357-Y1359 HydrophobicContact CG2-CE2 3.58Å; I1357-Y1359 WeakPolarHBondContact CG2-OH 3.48Å; I1357-Y1359 WeakPolarHBondContact O-CE2 3.35Å; Y1359-I1361 PolarHBondContact O-N 2.81Å; Y1359-Q1378 PolarHBondContact OH-NE2 3.28Å; Y1359-P1443 HydrophobicContact CD1-CB 4.44Å; Y1359-P1443 HydrophobicContact CD2-CB 4.04Å; Y1359-P1443 HydrophobicContact CD2-CG 3.63Å; Y1359-P1443 HydrophobicContact CE1-CB 3.97Å; Y1359-P1443 HydrophobicContact CE2-CB 3.52Å; Y1359-P1443 HydrophobicContact CE2-CG 3.48Å; Y1359-P1443 VanDerWaalsContact CE2-CG 3.48Å; Y1359-P1443 HydrophobicContact CG-CB 4.49Å; Y1359-P1443 HydrophobicContact CG-CG 4.27Å; Y1359-P1443 VanDerWaalsContact CZ-CB 3.49Å; Y1359-I1444 WeakPolarHBondContact CE2-O 3.49Å; Y1359-I1444 PolarHBondContact OH-O 2.81Å; Y1359-V1463 HydrophobicContact CE1-CG1 4.14Å; Y1359-I1466 HydrophobicContact CD1-CG2 3.84Å; Y1359-I1466 HydrophobicContact CE1-CG2 4.03Å
1360N92.8Very high83.5Confident85 Ų8570.6 Ų70.646%0.45535%0.352SS..SBendtrans-75.852.2-177.3-61.1-45.4000112.2S1324 P1325 V1326S1324-N1360 PolarHBondContact O-N 2.82Å; S1324-N1360 PolarHBondContact O-ND2 3.23Å; P1325-N1360 PolarHBondContact O-ND2 3.2Å; P1325-N1360 VanDerWaalsContact O-ND2 3.08Å; V1326-N1360 WeakPolarHBondContact CG2-OD1 3.39Å
1361I94.1Very high84.7Confident20 Ų2073.2 Ų73.210%0.10337%0.365CS..SBendtrans-151.1127.3-178.9-174.3164.6000110.5I1310 V1323 Y1359 Q1365 L1366 L1369I1310-I1361 HydrophobicContact CD1-CB 4.48Å; I1310-I1361 HydrophobicContact CD1-CD1 3.45Å; I1310-I1361 VanDerWaalsContact CD1-CD1 3.45Å; I1310-I1361 HydrophobicContact CD1-CG1 3.74Å; V1323-I1361 HydrophobicContact CG1-CB 3.88Å; V1323-I1361 HydrophobicContact CG1-CG2 3.81Å; V1323-I1361 HydrophobicContact CG2-CD1 4.1Å; Y1359-I1361 PolarHBondContact O-N 2.81Å; I1361-Q1365 HydrophobicContact CD1-CB 4.33Å; I1361-Q1365 HydrophobicContact CG1-CB 3.91Å; I1361-L1366 HydrophobicContact CD1-CB 4.02Å; I1361-L1366 HydrophobicContact CD1-CD1 4.36Å; I1361-L1366 HydrophobicContact CG1-CB 4.06Å; I1361-L1366 HydrophobicContact CG2-CB 4.2Å; I1361-L1366 HydrophobicContact CG2-CD1 4.31Å; I1361-L1369 HydrophobicContact CD1-CB 4.5Å; I1361-L1369 HydrophobicContact CD1-CD2 3.83Å
1362P93Very high86Confident59 Ų5966.9 Ų66.938%0.38334%0.344SS..  trans-57.3148.4170-2636.5000112.2I1310 D1364 Q1365 L1366I1310-P1362 HydrophobicContact CG2-CG 4.39Å; P1362-D1364 VanDerWaalsContact C-N 3.27Å; P1362-D1364 WeakPolarHBondContact CB-OD1 3.33Å; P1362-D1364 PolarHBondContact O-N 2.88Å; P1362-Q1365 HydrophobicContact CB-CB 4.32Å; P1362-Q1365 HydrophobicContact CB-CG 4.28Å; P1362-Q1365 HydrophobicContact CG-CG 4.31Å; P1362-Q1365 PolarHBondContact O-N 3.26Å; P1362-L1366 WeakPolarHBondContact O-CB 3.39Å; P1362-L1366 PolarHBondContact O-N 2.85Å
1363K90.8Very high87.6Confident152 Ų15265.8 Ų65.866%0.66134%0.337SS*.Hα-helixtrans-67.4-29.2-171.2-168.7167.7-173.5167.90113.2V1367K1363-V1367 WeakPolarHBondContact O-CG2 3.38Å; K1363-V1367 PolarHBondContact O-N 3.15Å
1364D90.7Very high89.3Confident87 Ų8764.4 Ų64.447%0.46533%0.33SS..Hα-helixtrans-67.6-54.6170.452.2-55.1000111.7P1362 L1366 V1367 F1368P1362-D1364 VanDerWaalsContact C-N 3.27Å; P1362-D1364 WeakPolarHBondContact CB-OD1 3.33Å; P1362-D1364 PolarHBondContact O-N 2.88Å; D1364-L1366 PolarHBondContact O-N 3.12Å; D1364-V1367 PolarHBondContact O-N 2.92Å; D1364-F1368 WeakPolarHBondContact O-CD2 3.48Å; D1364-F1368 PolarHBondContact O-N 3.47Å; D1364-F1368 VanDerWaalsContact O-N 3.16Å
1365Q94.8Very high91Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-56.4-37.5174.8-71.1-71.62800112.4D1300 P1301 N1302 D1308 I1310 I1361 P1362 F1368 L1369D1300-Q1365 PolarHBondContact OD1-NE2 2.76Å; P1301-Q1365 VanDerWaalsContact CD-OE1 3.25Å; N1302-Q1365 VanDerWaalsContact OD1-CD 3.25Å; N1302-Q1365 PolarHBondContact OD1-NE2 3.12Å; N1302-Q1365 PolarHBondContact OD1-OE1 2.63Å; D1308-Q1365 PolarHBondContact O-NE2 2.85Å; I1310-Q1365 HydrophobicContact CG2-CB 4.48Å; I1310-Q1365 HydrophobicContact CG2-CG 4.29Å; I1361-Q1365 HydrophobicContact CD1-CB 4.33Å; I1361-Q1365 HydrophobicContact CG1-CB 3.91Å; P1362-Q1365 HydrophobicContact CB-CB 4.32Å; P1362-Q1365 HydrophobicContact CB-CG 4.28Å; P1362-Q1365 HydrophobicContact CG-CG 4.31Å; P1362-Q1365 PolarHBondContact O-N 3.26Å; Q1365-F1368 PolarHBondContact O-N 2.04Å; Q1365-L1369 WeakPolarHBondContact O-CB 3.43Å; Q1365-L1369 PolarHBondContact O-N 2.96Å
1366L94.8Very high92.1Very high3 Ų355.6 Ų55.62%0.01628%0.282CS..Hα-helixtrans-60.3-44.9174.3175.461.8000112.4I1361 P1362 D1364 L1369 Q1370 Y1468I1361-L1366 HydrophobicContact CD1-CB 4.02Å; I1361-L1366 HydrophobicContact CD1-CD1 4.36Å; I1361-L1366 HydrophobicContact CG1-CB 4.06Å; I1361-L1366 HydrophobicContact CG2-CB 4.2Å; I1361-L1366 HydrophobicContact CG2-CD1 4.31Å; P1362-L1366 WeakPolarHBondContact O-CB 3.39Å; P1362-L1366 PolarHBondContact O-N 2.85Å; D1364-L1366 PolarHBondContact O-N 3.12Å; L1366-L1369 PolarHBondContact O-N 3Å; L1366-Q1370 HydrophobicContact CD1-CG 4.21Å; L1366-Q1370 HydrophobicContact CG-CG 4.48Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.47Å; L1366-Q1370 VanDerWaalsContact O-CG 3.27Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.06Å; L1366-Q1370 PolarHBondContact O-N 3.34Å; L1366-Y1468 HydrophobicContact CD1-CE2 4.03Å; L1366-Y1468 WeakPolarHBondContact CD1-OH 3.48Å
1367V94.6Very high92.6Very high56 Ų5653.3 Ų53.334%0.33927%0.272SS..Hα-helixtrans-65-40.4179.1167.60000111.2K1363 D1364 Q1370 M1371K1363-V1367 WeakPolarHBondContact O-CG2 3.38Å; K1363-V1367 PolarHBondContact O-N 3.15Å; D1364-V1367 PolarHBondContact O-N 2.92Å; V1367-Q1370 PolarHBondContact O-N 3.1Å; V1367-M1371 HydrophobicContact CG1-CE 3.75Å; V1367-M1371 HydrophobicContact CG1-SD 4.37Å; V1367-M1371 WeakPolarHBondContact O-CB 3.14Å; V1367-M1371 VanDerWaalsContact O-CG 3.29Å; V1367-M1371 WeakPolarHBondContact O-CG 3.38Å; V1367-M1371 PolarHBondContact O-N 3.44Å
1368F94.7Very high92.9Very high87 Ų8753.1 Ų53.138%0.38227%0.271SS..Hα-helixtrans-65.5-40.7174.6-78.1-80.7000112.4P1301 N1302 D1364 Q1365 M1371 S1372P1301-F1368 HydrophobicContact CB-CB 3.83Å; N1302-F1368 VanDerWaalsContact CA-CG 3.5Å; N1302-F1368 HydrophobicContact CB-CB 4.37Å; N1302-F1368 HydrophobicContact CB-CD1 4.44Å; N1302-F1368 HydrophobicContact CB-CD2 3.41Å; N1302-F1368 VanDerWaalsContact CB-CD2 3.41Å; N1302-F1368 HydrophobicContact CB-CE2 3.68Å; N1302-F1368 HydrophobicContact CB-CG 3.84Å; N1302-F1368 HydrophobicContact CB-CZ 4.3Å; D1364-F1368 WeakPolarHBondContact O-CD2 3.48Å; D1364-F1368 PolarHBondContact O-N 3.47Å; D1364-F1368 VanDerWaalsContact O-N 3.16Å; Q1365-F1368 PolarHBondContact O-N 2.04Å; F1368-M1371 PolarHBondContact O-N 3.31Å; F1368-S1372 WeakPolarHBondContact O-CB 3.16Å; F1368-S1372 PolarHBondContact O-N 3.16Å; F1368-S1372 PolarHBondContact O-OG 2.91Å
1369L94.6Very high93.1Very high0 Ų052.4 Ų52.40%026%0.263CS..Hα-helixtrans-65.5-37.9175.9-173.960.9000112.8T1281 P1301 T1321 V1323 I1361 Q1365 L1366 S1372 S1373 Y1468T1281-L1369 HydrophobicContact CG2-CD1 4.47Å; P1301-L1369 HydrophobicContact CB-CB 4.13Å; P1301-L1369 HydrophobicContact CG-CB 4.06Å; P1301-L1369 HydrophobicContact CG-CD1 4.25Å; T1321-L1369 HydrophobicContact CG2-CD1 3.87Å; T1321-L1369 HydrophobicContact CG2-CD2 3.78Å; T1321-L1369 HydrophobicContact CG2-CG 4.49Å; V1323-L1369 HydrophobicContact CG2-CD2 4.11Å; I1361-L1369 HydrophobicContact CD1-CB 4.5Å; I1361-L1369 HydrophobicContact CD1-CD2 3.83Å; Q1365-L1369 WeakPolarHBondContact O-CB 3.43Å; Q1365-L1369 PolarHBondContact O-N 2.96Å; L1366-L1369 PolarHBondContact O-N 3Å; L1369-S1372 PolarHBondContact O-OG 3.48Å; L1369-S1373 WeakPolarHBondContact O-CB 3.46Å; L1369-S1373 PolarHBondContact O-OG 3.07Å; L1369-Y1468 HydrophobicContact CD2-CD2 3.48Å; L1369-Y1468 VanDerWaalsContact CD2-CD2 3.48Å; L1369-Y1468 HydrophobicContact CD2-CE2 4.08Å; L1369-Y1468 HydrophobicContact CD2-CG 4.06Å; L1369-Y1468 HydrophobicContact CG-CD2 3.88Å; L1369-Y1468 HydrophobicContact CG-CG 3.94Å
1370Q94.6Very high93.1Very high18 Ų1852 Ų528%0.08426%0.261CS..Hα-helixtrans-62.8-40.6170.6-73.6169.1-13.900111.4L1366 V1367 D1399 P1439 L1442 Y1468L1366-Q1370 HydrophobicContact CD1-CG 4.21Å; L1366-Q1370 HydrophobicContact CG-CG 4.48Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.47Å; L1366-Q1370 VanDerWaalsContact O-CG 3.27Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.06Å; L1366-Q1370 PolarHBondContact O-N 3.34Å; V1367-Q1370 PolarHBondContact O-N 3.1Å; Q1370-D1399 PolarHBondContact NE2-OD2 2.82Å; Q1370-P1439 HydrophobicContact CB-CB 4.17Å; Q1370-P1439 HydrophobicContact CG-CB 4.38Å; Q1370-P1439 WeakPolarHBondContact O-CB 3.33Å; Q1370-L1442 PolarHBondContact NE2-O 2.94Å; Q1370-Y1468 HydrophobicContact CG-CE1 3.93Å
1371M91.7Very high93.1Very high149 Ų14950.6 Ų50.673%0.73425%0.251SS*.Hα-helixtrans-74.4-26.4179.3-73.3-172.3-17600114.1V1367 F1368 S1373V1367-M1371 HydrophobicContact CG1-CE 3.75Å; V1367-M1371 HydrophobicContact CG1-SD 4.37Å; V1367-M1371 WeakPolarHBondContact O-CB 3.14Å; V1367-M1371 VanDerWaalsContact O-CG 3.29Å; V1367-M1371 WeakPolarHBondContact O-CG 3.38Å; V1367-M1371 PolarHBondContact O-N 3.44Å; F1368-M1371 PolarHBondContact O-N 3.31Å; M1371-S1373 VanDerWaalsContact C-N 3.33Å
1372S89.2Confident93.1Very high58 Ų5849.7 Ų49.741%0.40625%0.246SC..THydrogen-bonded Turntrans-88.65.3178.868.40000114F1368 L1369F1368-S1372 WeakPolarHBondContact O-CB 3.16Å; F1368-S1372 PolarHBondContact O-N 3.16Å; F1368-S1372 PolarHBondContact O-OG 2.91Å; L1369-S1372 PolarHBondContact O-OG 3.48Å
1373S93Very high93.1Very high21 Ų2148.3 Ų48.315%0.14724%0.236CC..  trans-122.3150.9-173-58.70000111.8L1369 M1371 P1439L1369-S1373 WeakPolarHBondContact O-CB 3.46Å; L1369-S1373 PolarHBondContact O-OG 3.07Å; M1371-S1373 VanDerWaalsContact C-N 3.33Å; S1373-P1439 WeakPolarHBondContact O-CG 3.1Å
1374E90.7Very high93.1Very high140 Ų14041.4 Ų41.465%0.65421%0.206SC*.SBendtrans-96-33.8174.4-60.3-169.1162.600112.4K1437E1374-K1437 CarbonylContact O-C 3.55Å; E1374-K1437 WeakPolarHBondContact O-CA 3.33Å
1375V93.1Very high93.2Very high11 Ų1143.2 Ų43.27%0.06721%0.207CC..  trans-126.8148-176.3-175.70000109.9I1377 T1436 G1469V1375-I1377 HydrophobicContact CG1-CD1 4.3Å; V1375-I1377 HydrophobicContact CG1-CG1 3.88Å; V1375-T1436 WeakPolarHBondContact CA-O 3.4Å; V1375-G1469 PolarHBondContact O-N 3.29Å
1376A94.6Very high92.8Very high0 Ų046.5 Ų46.50%022%0.224CC..EExtended strand (participates in β ladder)trans-128.6138.9166.100000110.4R1435 T1436 P1439 L1442 I1466 C1467 Y1468A1376-R1435 WeakPolarHBondContact O-CA 3.4Å; A1376-T1436 HydrophobicContact CB-CG2 4.17Å; A1376-T1436 PolarHBondContact N-O 3.49Å; A1376-T1436 PolarHBondContact O-N 3.2Å; A1376-P1439 HydrophobicContact CB-CB 4.03Å; A1376-P1439 HydrophobicContact CB-CG 4.44Å; A1376-L1442 HydrophobicContact CB-CB 4.1Å; A1376-L1442 HydrophobicContact CB-CD1 3.86Å; A1376-L1442 HydrophobicContact CB-CG 4.46Å; A1376-I1466 HydrophobicContact CB-CD1 4.39Å; A1376-C1467 WeakPolarHBondContact CA-O 3.1Å; A1376-Y1468 HydrophobicContact CB-CD1 3.79Å; A1376-Y1468 HydrophobicContact CB-CE1 3.81Å
1377I93.8Very high92.4Very high26 Ų2646.5 Ų46.513%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-134.6119.4-172.2-50-175.2000108.8V1375 T1433 V1434 R1435 C1467V1375-I1377 HydrophobicContact CG1-CD1 4.3Å; V1375-I1377 HydrophobicContact CG1-CG1 3.88Å; I1377-T1433 HydrophobicContact CG2-CG2 4.17Å; I1377-V1434 WeakPolarHBondContact CA-O 3.47Å; I1377-R1435 HydrophobicContact CB-CG 4.4Å; I1377-R1435 HydrophobicContact CG1-CG 4.08Å; I1377-R1435 HydrophobicContact CG2-CG 3.97Å; I1377-C1467 PolarHBondContact N-O 2.89Å; I1377-C1467 PolarHBondContact O-N 3.12Å
1378Q94.3Very high91.7Very high2 Ų250.8 Ų50.81%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-123.1141.1173-163.7164.48.700112Y1359 T1433 V1434 L1442 G1464 I1466Y1359-Q1378 PolarHBondContact OH-NE2 3.28Å; Q1378-T1433 WeakPolarHBondContact O-CA 3.38Å; Q1378-V1434 PolarHBondContact N-O 2.79Å; Q1378-V1434 PolarHBondContact O-N 2.67Å; Q1378-L1442 HydrophobicContact CB-CD1 4.31Å; Q1378-G1464 PolarHBondContact NE2-O 2.89Å; Q1378-G1464 VanDerWaalsContact NE2-O 3.1Å; Q1378-I1466 HydrophobicContact CB-CD1 3.77Å; Q1378-I1466 HydrophobicContact CG-CB 4.25Å; Q1378-I1466 HydrophobicContact CG-CD1 4.36Å
1379R92.3Very high91.2Very high117 Ų11751.4 Ų51.444%0.44225%0.248SC..EExtended strand (participates in β ladder)trans-101.9143.8168.1-85.6174.5169.8166.8-4.2111.5E1418 L1432 T1433 G1464R1379-E1418 IonicContact CZ-OE1 3.12Å; R1379-E1418 IonicContact CZ-OE2 2.74Å; R1379-E1418 IonicContact NE-OE1 2.75Å; R1379-E1418 PolarHBondContact NE-OE1 3.31Å; R1379-E1418 IonicContact NE-OE2 3.78Å; R1379-E1418 PolarHBondContact NE-OE2 3.41Å; R1379-E1418 VanDerWaalsContact NH2-CD 3.3Å; R1379-E1418 IonicContact NH2-OE1 2.7Å; R1379-E1418 PolarHBondContact NH2-OE1 3.4Å; R1379-E1418 IonicContact NH2-OE2 2.7Å; R1379-E1418 PolarHBondContact NH2-OE2 2.74Å; R1379-E1418 VanDerWaalsContact NH2-OE2 3.11Å; R1379-L1432 CarbonylContact C-O 3.15Å; R1379-L1432 WeakPolarHBondContact CA-O 3.35Å; R1379-T1433 WeakPolarHBondContact CG-OG1 3.2Å; R1379-T1433 PolarHBondContact NE-OG1 3.23Å; R1379-G1464 WeakPolarHBondContact O-CA 3.32Å; R1379-G1464 PolarHBondContact O-N 3.33Å
1380L93Very high90.9Very high2 Ų251.5 Ų51.51%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-145.4122.2-175.4-164.472.5000108.9L1396 L1432 I1447 L1461L1380-L1396 HydrophobicContact CD2-CD1 3.94Å; L1380-L1396 HydrophobicContact CD2-CD2 3.53Å; L1380-L1396 HydrophobicContact CD2-CG 4.39Å; L1380-L1432 HydrophobicContact CB-CB 4.37Å; L1380-L1432 HydrophobicContact CD2-CD1 4.46Å; L1380-L1432 PolarHBondContact N-O 3.2Å; L1380-L1432 PolarHBondContact O-N 2.93Å; L1380-I1447 HydrophobicContact CD2-CD1 3.92Å; L1380-L1461 HydrophobicContact CD1-CD1 3.79Å; L1380-L1461 HydrophobicContact CG-CD1 4.02Å
1381K93.7Very high90.5Very high55 Ų5552.3 Ų52.324%0.23925%0.253CS..EExtended strand (participates in β ladder)trans-114.7115.2179.9175.6163.1166.7-67.70109.9N1383 L1430 L1431 E1462K1381-N1383 PolarHBondContact NZ-OD1 3.21Å; K1381-L1430 WeakPolarHBondContact CA-O 2.97Å; K1381-L1431 HydrophobicContact CB-CD1 3.94Å; K1381-E1462 HydrophobicContact CB-CB 3.89Å; K1381-E1462 VanDerWaalsContact CD-OE2 3.28Å; K1381-E1462 WeakPolarHBondContact CD-OE2 3.45Å; K1381-E1462 WeakPolarHBondContact CE-OE2 3.5Å; K1381-E1462 HydrophobicContact CG-CB 4.38Å; K1381-E1462 PolarHBondContact N-O 3.49Å; K1381-E1462 IonicContact NZ-OE1 3.57Å; K1381-E1462 PolarHBondContact NZ-OE1 3.03Å; K1381-E1462 VanDerWaalsContact NZ-OE1 3.15Å; K1381-E1462 IonicContact NZ-OE2 2.92Å; K1381-E1462 PolarHBondContact NZ-OE2 2.7Å; K1381-E1462 PolarHBondContact O-N 3.5Å
1382V92.6Very high90.3Very high0 Ų050.8 Ų50.80%024%0.244CC..EExtended strand (participates in β ladder)trans-104.4106.2179.3-174.70000107.8I1390 I1394 L1430 I1447 L1459 L1461V1382-I1390 HydrophobicContact CG1-CD1 4.46Å; V1382-I1394 HydrophobicContact CG2-CD1 4.37Å; V1382-L1430 HydrophobicContact CB-CB 4.34Å; V1382-L1430 PolarHBondContact N-O 3.22Å; V1382-L1430 PolarHBondContact O-N 2.9Å; V1382-I1447 HydrophobicContact CG2-CD1 4.22Å; V1382-L1459 HydrophobicContact CG1-CD1 3.62Å; V1382-L1459 HydrophobicContact CG1-CD2 4Å; V1382-L1459 HydrophobicContact CG1-CG 3.84Å; V1382-L1461 HydrophobicContact CG2-CD1 4.08Å
1383N93.1Very high90.2Very high31 Ų3149 Ų4917%0.16623%0.23CC..EExtended strand (participates in β ladder)trans-78.2140.6172.2-53.3-54000108.9K1381 G1428 L1459 S1460 E1462K1381-N1383 PolarHBondContact NZ-OD1 3.21Å; N1383-G1428 WeakPolarHBondContact CA-O 3.24Å; N1383-L1459 WeakPolarHBondContact O-CA 3.3Å; N1383-L1459 WeakPolarHBondContact O-CD1 3.46Å; N1383-S1460 WeakPolarHBondContact CB-OG 3.38Å; N1383-S1460 PolarHBondContact N-O 3.45Å; N1383-S1460 PolarHBondContact ND2-OG 2.81Å; N1383-S1460 PolarHBondContact O-N 2.79Å; N1383-E1462 PolarHBondContact ND2-OE1 2.82Å
1384C91.7Very high90.1Very high6 Ų648 Ų484%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-139.5143.4-168.156.40000110.6I1387 C1422 S1427 G1428 L1459C1384-I1387 HydrophobicContact CB-CB 4.46Å; C1384-I1387 HydrophobicContact CB-CD1 4.43Å; C1384-C1422 HydrophobicContact CB-CB 4.04Å; C1384-C1422 WeakPolarHBondContact CB-SG 3.03Å; C1384-C1422 WeakPolarHBondContact SG-CA 3.32Å; C1384-C1422 WeakPolarHBondContact SG-CB 3.44Å; C1384-C1422 CovalentContact SG-SG 2.02Å; C1384-C1422 PolarHBondContact SG-SG 3.36Å; C1384-S1427 CarbonylContact O-C 3.49Å; C1384-S1427 VanDerWaalsContact O-CA 3.31Å; C1384-S1427 WeakPolarHBondContact O-CA 3.48Å; C1384-G1428 PolarHBondContact N-O 2.85Å; C1384-G1428 PolarHBondContact O-N 3.03Å; C1384-G1428 PolarHBondContact SG-O 3.28Å; C1384-L1459 HydrophobicContact CB-CD1 4.32Å
1385R91.6Very high90.1Very high125 Ų12541.6 Ų41.647%0.47219%0.194SC..EExtended strand (participates in β ladder)trans-144.7127.6179.3-173.4-173.7-171178.52.1110.9I1387 Q1426 S1457 E1458R1385-I1387 VanDerWaalsContact C-N 3.3Å; R1385-I1387 PolarHBondContact O-N 3.48Å; R1385-Q1426 CarbonylContact C-O 3.31Å; R1385-Q1426 WeakPolarHBondContact CA-O 3.25Å; R1385-Q1426 WeakPolarHBondContact CG-O 3.35Å; R1385-S1457 VanDerWaalsContact O-CA 3.29Å; R1385-S1457 WeakPolarHBondContact O-CA 3.34Å; R1385-E1458 HydrophobicContact CB-CB 4.06Å; R1385-E1458 WeakPolarHBondContact CD-OE2 3.42Å; R1385-E1458 IonicContact CZ-OE2 4Å; R1385-E1458 PolarHBondContact N-O 2.87Å; R1385-E1458 IonicContact NE-OE2 3.84Å; R1385-E1458 IonicContact NH1-OE2 3.45Å; R1385-E1458 PolarHBondContact NH1-OE2 3.09Å; R1385-E1458 PolarHBondContact O-N 3.49Å
1386N88.3Confident90.1Very high70 Ų7041.1 Ų41.137%0.37419%0.191SC..SBendtrans51.245.2-168.6-61.6-31000112.8Q1426 D1456 S1457N1386-Q1426 PolarHBondContact N-O 2.84Å; N1386-D1456 PolarHBondContact ND2-O 3.41Å; N1386-S1457 PolarHBondContact O-OG 3.34Å
1387I86.1Confident90Very high3 Ų341.7 Ų41.72%0.01519%0.194CC..  trans-130.9103.2177-56.6173.7000110.1L1335 C1384 R1385 I1390 I1393 L1454 L1459L1335-I1387 HydrophobicContact CD1-CD1 4.12Å; C1384-I1387 HydrophobicContact CB-CB 4.46Å; C1384-I1387 HydrophobicContact CB-CD1 4.43Å; R1385-I1387 VanDerWaalsContact C-N 3.3Å; R1385-I1387 PolarHBondContact O-N 3.48Å; I1387-I1390 HydrophobicContact CD1-CD1 4.4Å; I1387-I1390 HydrophobicContact CG2-CB 4.21Å; I1387-I1390 HydrophobicContact CG2-CD1 3.99Å; I1387-I1393 HydrophobicContact CG2-CD1 3.46Å; I1387-I1393 VanDerWaalsContact CG2-CD1 3.46Å; I1387-L1454 HydrophobicContact CG1-CD2 4.36Å; I1387-L1454 HydrophobicContact CG2-CD2 4.4Å; I1387-L1459 HydrophobicContact CD1-CD1 3.59Å
1388Q78.4Confident90Very high146 Ų14640.5 Ų40.568%0.68219%0.187SC*.SBendtrans-84.8148.7164.4-66.4179.6-9.700109.2
1389N85.5Confident89.9Confident100 Ų10041.8 Ų41.854%0.53519%0.194SC..SBendtrans55.846-176.5-63.711.5000115.8L1391 E1392N1389-L1391 PolarHBondContact O-N 3.02Å; N1389-E1392 HydrophobicContact CB-CG 4.29Å; N1389-E1392 VanDerWaalsContact CB-OE2 3.24Å; N1389-E1392 WeakPolarHBondContact CB-OE2 3.24Å; N1389-E1392 PolarHBondContact ND2-OE2 3.18Å; N1389-E1392 PolarHBondContact O-N 3.05Å
1390I87.6Confident89.7Confident1 Ų140.1 Ų40.11%0.00519%0.194CC..Hα-helixtrans-46.2-40179.1-176.560.6000114.4V1382 I1387 E1392 I1393 I1394 C1422 L1430 L1459V1382-I1390 HydrophobicContact CG1-CD1 4.46Å; I1387-I1390 HydrophobicContact CD1-CD1 4.4Å; I1387-I1390 HydrophobicContact CG2-CB 4.21Å; I1387-I1390 HydrophobicContact CG2-CD1 3.99Å; I1390-E1392 VanDerWaalsContact C-N 3.29Å; I1390-E1392 PolarHBondContact O-N 3.24Å; I1390-I1393 WeakPolarHBondContact O-CB 3.1Å; I1390-I1393 PolarHBondContact O-N 3.2Å; I1390-I1394 HydrophobicContact CD1-CG2 3.9Å; I1390-I1394 HydrophobicContact CG1-CG1 4.44Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.28Å; I1390-I1394 PolarHBondContact O-N 3.47Å; I1390-I1394 VanDerWaalsContact O-N 3.16Å; I1390-C1422 HydrophobicContact CB-CB 4.12Å; I1390-C1422 HydrophobicContact CG2-CB 3.76Å; I1390-L1430 HydrophobicContact CG1-CD2 4.11Å; I1390-L1430 HydrophobicContact CG2-CB 4.27Å; I1390-L1430 HydrophobicContact CG2-CD1 4.18Å; I1390-L1430 HydrophobicContact CG2-CD2 3.97Å; I1390-L1430 HydrophobicContact CG2-CG 4.37Å; I1390-L1459 HydrophobicContact CD1-CD1 3.68Å
1391L87.4Confident89.6Confident35 Ų3545 Ų4518%0.18322%0.221CC..Hα-helixtrans-64.9-25.8-177.7-69.3164.6000114.3N1389 I1393 F1406 I1417 L1430 L1432N1389-L1391 PolarHBondContact O-N 3.02Å; L1391-I1393 VanDerWaalsContact C-N 3.28Å; L1391-F1406 HydrophobicContact CB-CB 4.4Å; L1391-F1406 HydrophobicContact CD2-CB 4.18Å; L1391-F1406 HydrophobicContact CD2-CD1 3.82Å; L1391-F1406 HydrophobicContact CD2-CD2 4.17Å; L1391-F1406 HydrophobicContact CD2-CE1 4.24Å; L1391-F1406 HydrophobicContact CD2-CG 3.78Å; L1391-I1417 HydrophobicContact CD1-CD1 3.75Å; L1391-I1417 HydrophobicContact CD2-CD1 4.45Å; L1391-L1430 HydrophobicContact CD2-CD1 4.09Å; L1391-L1430 HydrophobicContact CD2-CD2 3.86Å; L1391-L1430 HydrophobicContact CG-CD1 4.26Å; L1391-L1430 HydrophobicContact CG-CD2 4.41Å; L1391-L1432 HydrophobicContact CD2-CD2 4.34Å
1392E86.3Confident89.4Confident118 Ų11845.2 Ų45.255%0.55122%0.223SC*.Hα-helixtrans-80.3-13.7175.1-61.8-176.8131.200112.2N1389 I1390N1389-E1392 HydrophobicContact CB-CG 4.29Å; N1389-E1392 VanDerWaalsContact CB-OE2 3.24Å; N1389-E1392 WeakPolarHBondContact CB-OE2 3.24Å; N1389-E1392 PolarHBondContact ND2-OE2 3.18Å; N1389-E1392 PolarHBondContact O-N 3.05Å; I1390-E1392 VanDerWaalsContact C-N 3.29Å; I1390-E1392 PolarHBondContact O-N 3.24Å
1393I86.8Confident89.3Confident19 Ų1947.4 Ų47.410%0.09724%0.235CC..Hα-helixtrans-99.9-38.9-172.1-67.1156.2000111.1I1387 I1390 L1391 I1449 T1450 L1454I1387-I1393 HydrophobicContact CG2-CD1 3.46Å; I1387-I1393 VanDerWaalsContact CG2-CD1 3.46Å; I1390-I1393 WeakPolarHBondContact O-CB 3.1Å; I1390-I1393 PolarHBondContact O-N 3.2Å; L1391-I1393 VanDerWaalsContact C-N 3.28Å; I1393-I1449 HydrophobicContact CG2-CG2 3.88Å; I1393-I1449 CarbonylContact O-C 3.38Å; I1393-T1450 PolarHBondContact O-N 3.42Å; I1393-T1450 PolarHBondContact O-OG1 3.4Å; I1393-L1454 HydrophobicContact CD1-CD1 3.71Å; I1393-L1454 HydrophobicContact CD1-CD2 4.32Å; I1393-L1454 HydrophobicContact CG1-CD1 4.1Å; I1393-L1454 HydrophobicContact CG2-CD1 3.94Å
1394I90.5Very high89.1Confident2 Ų246.1 Ų46.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-91.9153.1-178.858.3157.9000113.5V1382 I1390 F1406 L1430 L1432 I1447 R1448 I1449V1382-I1394 HydrophobicContact CG2-CD1 4.37Å; I1390-I1394 HydrophobicContact CD1-CG2 3.9Å; I1390-I1394 HydrophobicContact CG1-CG1 4.44Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.28Å; I1390-I1394 PolarHBondContact O-N 3.47Å; I1390-I1394 VanDerWaalsContact O-N 3.16Å; I1394-F1406 HydrophobicContact CB-CE2 4.44Å; I1394-F1406 HydrophobicContact CD1-CD2 4.45Å; I1394-F1406 HydrophobicContact CD1-CE2 3.56Å; I1394-F1406 HydrophobicContact CD1-CZ 3.87Å; I1394-F1406 HydrophobicContact CG1-CD2 4.15Å; I1394-F1406 HydrophobicContact CG1-CE2 3.6Å; I1394-F1406 HydrophobicContact CG1-CZ 4.41Å; I1394-L1430 HydrophobicContact CD1-CD2 3.75Å; I1394-L1432 HydrophobicContact CD1-CD1 4.32Å; I1394-I1447 HydrophobicContact CB-CG2 3.97Å; I1394-I1447 HydrophobicContact CG2-CG2 4Å; I1394-R1448 CarbonylContact C-O 3.43Å; I1394-R1448 VanDerWaalsContact CA-O 3.31Å; I1394-R1448 WeakPolarHBondContact CA-O 3.04Å; I1394-I1449 HydrophobicContact CG2-CG1 4.38Å
1395S91.4Very high88.8Confident5 Ų549 Ų494%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-145.4138.9169.5-39.30000108.4I1404 I1447 R1448S1395-I1404 CarbonylContact C-O 3.56Å; S1395-I1404 WeakPolarHBondContact CA-O 3.5Å; S1395-I1447 CarbonylContact O-C 3.5Å; S1395-I1447 WeakPolarHBondContact O-CA 3.49Å; S1395-R1448 PolarHBondContact N-O 3.14Å; S1395-R1448 PolarHBondContact O-N 3.17Å; S1395-R1448 PolarHBondContact OG-NH2 3.17Å
1396L92.9Very high88.5Confident0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-93.9152.6-177.7-46.2-179.9000111.2L1380 L1403 I1404 F1406 V1434 I1444 I1447L1380-L1396 HydrophobicContact CD2-CD1 3.94Å; L1380-L1396 HydrophobicContact CD2-CD2 3.53Å; L1380-L1396 HydrophobicContact CD2-CG 4.39Å; L1396-L1403 WeakPolarHBondContact O-CA 3.48Å; L1396-I1404 HydrophobicContact CB-CB 4.16Å; L1396-I1404 HydrophobicContact CB-CD1 4.34Å; L1396-I1404 PolarHBondContact N-O 3.37Å; L1396-I1404 PolarHBondContact O-N 3.37Å; L1396-F1406 HydrophobicContact CD1-CE1 4.43Å; L1396-F1406 HydrophobicContact CD1-CZ 3.89Å; L1396-F1406 HydrophobicContact CD2-CE2 4.45Å; L1396-F1406 HydrophobicContact CD2-CZ 4.05Å; L1396-F1406 HydrophobicContact CG-CE2 4.22Å; L1396-F1406 HydrophobicContact CG-CZ 3.71Å; L1396-V1434 HydrophobicContact CD1-CG2 3.98Å; L1396-I1444 HydrophobicContact CB-CD1 4.05Å; L1396-I1444 HydrophobicContact CB-CG2 4.24Å; L1396-I1444 HydrophobicContact CD1-CD1 4.1Å; L1396-I1444 HydrophobicContact CD1-CG1 4.38Å; L1396-I1447 HydrophobicContact CD2-CD1 4.04Å; L1396-I1447 HydrophobicContact CD2-CG1 3.85Å; L1396-I1447 HydrophobicContact CD2-CG2 4.29Å
1397L92.4Very high87.8Confident13 Ų1347.1 Ų47.17%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-107.3125.4170-171.567.7000109.8W1344 N1401 I1444 R1445 D1446W1344-L1397 HydrophobicContact CH2-CB 4.18Å; W1344-L1397 HydrophobicContact CH2-CD1 4.03Å; W1344-L1397 HydrophobicContact CH2-CD2 4.25Å; W1344-L1397 HydrophobicContact CH2-CG 4.4Å; W1344-L1397 HydrophobicContact CZ3-CB 3.86Å; W1344-L1397 HydrophobicContact CZ3-CD2 4.26Å; W1344-L1397 HydrophobicContact CZ3-CG 4.46Å; L1397-N1401 HydrophobicContact CD1-CB 4.27Å; L1397-I1444 CarbonylContact O-C 2.96Å; L1397-I1444 WeakPolarHBondContact O-CA 2.98Å; L1397-R1445 HydrophobicContact CD2-CB 4.24Å; L1397-R1445 HydrophobicContact CG-CB 4.41Å; L1397-R1445 PolarHBondContact O-N 3.25Å; L1397-D1446 HydrophobicContact CB-CB 3.91Å; L1397-D1446 HydrophobicContact CD2-CB 3.94Å; L1397-D1446 PolarHBondContact N-O 3.5Å
1398S93.1Very high86.9Confident0 Ų053.6 Ų53.60%027%0.268CS..  trans-79.6169.8174.858.10000113.1N1400 N1401 M1402 L1441S1398-N1400 VanDerWaalsContact C-N 3.25Å; S1398-N1400 PolarHBondContact O-N 3.42Å; S1398-N1400 PolarHBondContact OG-OD1 2.79Å; S1398-N1401 PolarHBondContact O-N 2.03Å; S1398-M1402 WeakPolarHBondContact CB-O 3.31Å; S1398-M1402 PolarHBondContact N-O 3.34Å; S1398-M1402 VanDerWaalsContact OG-CA 3.24Å; S1398-M1402 WeakPolarHBondContact OG-CA 3.45Å; S1398-M1402 WeakPolarHBondContact OG-CB 3.27Å; S1398-M1402 PolarHBondContact OG-N 3.38Å; S1398-M1402 PolarHBondContact OG-O 2.79Å; S1398-L1441 WeakPolarHBondContact CB-O 2.98Å
1399D93Very high86Confident29 Ų2953.7 Ų53.716%0.15528%0.279CS..THydrogen-bonded Turntrans-61.4-31.6178.3-164.146.7000113.2Q1370 N1401 L1441 P1443 R1445Q1370-D1399 PolarHBondContact NE2-OD2 2.82Å; D1399-N1401 VanDerWaalsContact C-N 3.3Å; D1399-N1401 PolarHBondContact O-N 3.35Å; D1399-L1441 PolarHBondContact N-O 2.71Å; D1399-P1443 PolarHBondContact N-O 2.57Å; D1399-P1443 VanDerWaalsContact N-O 3.13Å; D1399-R1445 IonicContact OD1-CZ 3.44Å; D1399-R1445 IonicContact OD1-NE 2.83Å; D1399-R1445 PolarHBondContact OD1-NE 2.94Å; D1399-R1445 IonicContact OD1-NH2 3.41Å; D1399-R1445 PolarHBondContact OD1-NH2 3.4Å
1400N89Confident85.1Confident82 Ų8251 Ų5144%0.43926%0.264SS..THydrogen-bonded Turntrans-91.119.8175.775.5-16.1000114.1S1398 M1402 L1441S1398-N1400 VanDerWaalsContact C-N 3.25Å; S1398-N1400 PolarHBondContact O-N 3.42Å; S1398-N1400 PolarHBondContact OG-OD1 2.79Å; N1400-M1402 PolarHBondContact O-N 2.77Å; N1400-M1402 WeakPolarHBondContact OD1-CB 3.32Å; N1400-M1402 PolarHBondContact OD1-N 2.68Å; N1400-L1441 WeakPolarHBondContact ND2-CD2 3.46Å
1401N89.7Confident84.5Confident106 Ų10656.5 Ų56.557%0.56729%0.29SS*.SBendtrans5916.7-178.2-60.3-55.8000115.6L1397 S1398 D1399L1397-N1401 HydrophobicContact CD1-CB 4.27Å; S1398-N1401 PolarHBondContact O-N 2.03Å; D1399-N1401 VanDerWaalsContact C-N 3.3Å; D1399-N1401 PolarHBondContact O-N 3.35Å
1402M90Very high84.5Confident59 Ų5957 Ų5729%0.29129%0.293SS..  trans-70.3137.4165.8-167.1-169.5-49.100109.7S1398 N1400 L1412 F1413 L1441S1398-M1402 WeakPolarHBondContact CB-O 3.31Å; S1398-M1402 PolarHBondContact N-O 3.34Å; S1398-M1402 VanDerWaalsContact OG-CA 3.24Å; S1398-M1402 WeakPolarHBondContact OG-CA 3.45Å; S1398-M1402 WeakPolarHBondContact OG-CB 3.27Å; S1398-M1402 PolarHBondContact OG-N 3.38Å; S1398-M1402 PolarHBondContact OG-O 2.79Å; N1400-M1402 PolarHBondContact O-N 2.77Å; N1400-M1402 WeakPolarHBondContact OD1-CB 3.32Å; N1400-M1402 PolarHBondContact OD1-N 2.68Å; M1402-L1412 HydrophobicContact CE-CD1 3.82Å; M1402-L1412 HydrophobicContact SD-CD1 4.03Å; M1402-F1413 HydrophobicContact SD-CE2 4.06Å; M1402-L1441 HydrophobicContact CE-CD2 3.87Å
1403L89.7Confident84.6Confident46 Ų4652.4 Ų52.424%0.24127%0.27CS..EExtended strand (participates in β ladder)trans-91.7134.8176.6-166.686.7000110.6W1344 L1396 E1405 R1448W1344-L1403 HydrophobicContact CH2-CD1 3.65Å; W1344-L1403 HydrophobicContact CZ3-CD1 4.26Å; L1396-L1403 WeakPolarHBondContact O-CA 3.48Å; L1403-E1405 HydrophobicContact CD2-CG 3.64Å; L1403-E1405 WeakPolarHBondContact CD2-OE1 3.44Å; L1403-E1405 HydrophobicContact CG-CG 4.28Å; L1403-R1448 VanDerWaalsContact CD2-CZ 3.47Å
1404I89.5Confident84.7Confident3 Ų354.5 Ų54.52%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-108.1109.2179.1-48.6174.8000108S1395 L1396 F1413 I1415 I1444S1395-I1404 CarbonylContact C-O 3.56Å; S1395-I1404 WeakPolarHBondContact CA-O 3.5Å; L1396-I1404 HydrophobicContact CB-CB 4.16Å; L1396-I1404 HydrophobicContact CB-CD1 4.34Å; L1396-I1404 PolarHBondContact N-O 3.37Å; L1396-I1404 PolarHBondContact O-N 3.37Å; I1404-F1413 HydrophobicContact CD1-CD1 4Å; I1404-F1413 HydrophobicContact CD1-CD2 4.19Å; I1404-F1413 HydrophobicContact CD1-CE1 3.59Å; I1404-F1413 HydrophobicContact CD1-CE2 3.81Å; I1404-F1413 HydrophobicContact CD1-CG 4.28Å; I1404-F1413 HydrophobicContact CD1-CZ 3.48Å; I1404-F1413 VanDerWaalsContact CD1-CZ 3.48Å; I1404-F1413 HydrophobicContact CG1-CD2 4.23Å; I1404-F1413 HydrophobicContact CG1-CE1 4.44Å; I1404-F1413 HydrophobicContact CG1-CE2 3.74Å; I1404-F1413 HydrophobicContact CG1-CZ 3.85Å; I1404-F1413 HydrophobicContact CG2-CD2 4.42Å; I1404-I1415 HydrophobicContact CG2-CD1 3.63Å; I1404-I1444 HydrophobicContact CD1-CD1 3.92Å
1405E86.4Confident84.6Confident67 Ų6757 Ų5731%0.31330%0.299SS..  trans-107122176.2-58.1-161.3174.800109.9L1403 N1407 E1408 R1448L1403-E1405 HydrophobicContact CD2-CG 3.64Å; L1403-E1405 WeakPolarHBondContact CD2-OE1 3.44Å; L1403-E1405 HydrophobicContact CG-CG 4.28Å; E1405-N1407 PolarHBondContact O-N 3.02Å; E1405-E1408 PolarHBondContact O-N 3.39Å; E1405-E1408 VanDerWaalsContact O-N 3.09Å; E1405-R1448 IonicContact OE1-CZ 3.91Å; E1405-R1448 IonicContact OE1-NH1 3.73Å; E1405-R1448 PolarHBondContact OE1-NH1 3.24Å; E1405-R1448 IonicContact OE1-NH2 2.82Å; E1405-R1448 PolarHBondContact OE1-NH2 3.15Å
1406F84.2Confident84.6Confident41 Ų4160.1 Ų60.118%0.1831%0.314CS..THydrogen-bonded Turntrans-63.9-14.1-171.3-58.8-85.6000115L1391 I1394 L1396 I1415 L1432L1391-F1406 HydrophobicContact CB-CB 4.4Å; L1391-F1406 HydrophobicContact CD2-CB 4.18Å; L1391-F1406 HydrophobicContact CD2-CD1 3.82Å; L1391-F1406 HydrophobicContact CD2-CD2 4.17Å; L1391-F1406 HydrophobicContact CD2-CE1 4.24Å; L1391-F1406 HydrophobicContact CD2-CG 3.78Å; I1394-F1406 HydrophobicContact CB-CE2 4.44Å; I1394-F1406 HydrophobicContact CD1-CD2 4.45Å; I1394-F1406 HydrophobicContact CD1-CE2 3.56Å; I1394-F1406 HydrophobicContact CD1-CZ 3.87Å; I1394-F1406 HydrophobicContact CG1-CD2 4.15Å; I1394-F1406 HydrophobicContact CG1-CE2 3.6Å; I1394-F1406 HydrophobicContact CG1-CZ 4.41Å; L1396-F1406 HydrophobicContact CD1-CE1 4.43Å; L1396-F1406 HydrophobicContact CD1-CZ 3.89Å; L1396-F1406 HydrophobicContact CD2-CE2 4.45Å; L1396-F1406 HydrophobicContact CD2-CZ 4.05Å; L1396-F1406 HydrophobicContact CG-CE2 4.22Å; L1396-F1406 HydrophobicContact CG-CZ 3.71Å; F1406-I1415 HydrophobicContact CD1-CD1 4.05Å; F1406-I1415 HydrophobicContact CD1-CG2 4.11Å; F1406-I1415 HydrophobicContact CE1-CD1 4.14Å; F1406-I1415 HydrophobicContact CE1-CG2 3.94Å; F1406-L1432 HydrophobicContact CE1-CD1 3.7Å; F1406-L1432 HydrophobicContact CE1-CD2 4.06Å; F1406-L1432 HydrophobicContact CZ-CD1 3.58Å
1407N73.7Confident84.5Confident115 Ų11564.3 Ų64.362%0.61534%0.335SS*.THydrogen-bonded Turntrans-82.4-15.8178.7-67.6-10.7000113E1405E1405-N1407 PolarHBondContact O-N 3.02Å
1408E67.2Low84.4Confident139 Ų13967.5 Ų67.565%0.6535%0.35SS*.SBendtrans-110.4129.2177.1-63.1-164.6161.600110.4E1405 I1410E1405-E1408 PolarHBondContact O-N 3.39Å; E1405-E1408 VanDerWaalsContact O-N 3.09Å; E1408-I1410 HydrophobicContact CB-CG1 4.32Å; E1408-I1410 PolarHBondContact O-N 3.16Å
1409T60Low84.2Confident147 Ų14770.9 Ų70.990%0.90237%0.366SS*.  trans-80.871.4-179.4-1.10000110.3Q1411T1409-Q1411 PolarHBondContact O-N 3.17Å
1410I66.8Low84.2Confident45 Ų4572.6 Ų72.623%0.23138%0.375CS..  trans-66.1102.3178.5-55.1174.2000108.7E1408 L1412 F1413E1408-I1410 HydrophobicContact CB-CG1 4.32Å; E1408-I1410 PolarHBondContact O-N 3.16Å; I1410-L1412 HydrophobicContact CG2-CB 4.12Å; I1410-L1412 HydrophobicContact CG2-CD1 4.33Å; I1410-L1412 HydrophobicContact CG2-CG 4.28Å; I1410-L1412 PolarHBondContact O-N 3.16Å; I1410-F1413 HydrophobicContact CB-CD2 4.38Å; I1410-F1413 HydrophobicContact CG2-CD2 4.02Å; I1410-F1413 HydrophobicContact CG2-CE2 4.36Å; I1410-F1413 PolarHBondContact O-N 3.31Å
1411Q75.2Confident84.3Confident115 Ų11569.6 Ų69.654%0.53736%0.36SS..THydrogen-bonded Turntrans-59.1-3-174.5-60.4-178.7-73.300115.5M172 T1409M172-Q1411 HydrophobicContact CE-CB 3.66Å; M172-Q1411 HydrophobicContact SD-CB 3.51Å; M172-Q1411 VanDerWaalsContact SD-CB 3.51Å; M172-Q1411 HydrophobicContact SD-CG 4.33Å; T1409-Q1411 PolarHBondContact O-N 3.17Å
1412L85.8Confident84.2Confident47 Ų4764.7 Ų64.725%0.24633%0.334CS..THydrogen-bonded Turntrans-81.4-18173.2-59.4173.9000113.4M172 M1402 I1410 T1436 L1441M172-L1412 HydrophobicContact CE-CD2 3.76Å; M172-L1412 HydrophobicContact CE-CG 4.21Å; M1402-L1412 HydrophobicContact CE-CD1 3.82Å; M1402-L1412 HydrophobicContact SD-CD1 4.03Å; I1410-L1412 HydrophobicContact CG2-CB 4.12Å; I1410-L1412 HydrophobicContact CG2-CD1 4.33Å; I1410-L1412 HydrophobicContact CG2-CG 4.28Å; I1410-L1412 PolarHBondContact O-N 3.16Å; L1412-T1436 WeakPolarHBondContact O-CB 3.49Å; L1412-T1436 PolarHBondContact O-OG1 3.32Å; L1412-L1441 HydrophobicContact CB-CD1 3.92Å; L1412-L1441 HydrophobicContact CD1-CD1 4.32Å
1413F88.6Confident83.7Confident20 Ų2063.4 Ų63.49%0.08834%0.336CS..  trans-127.8135.8-177.9-56.7-83.6000110.8M1402 I1404 I1410 I1415 V1434 R1435 L1441M1402-F1413 HydrophobicContact SD-CE2 4.06Å; I1404-F1413 HydrophobicContact CD1-CD1 4Å; I1404-F1413 HydrophobicContact CD1-CD2 4.19Å; I1404-F1413 HydrophobicContact CD1-CE1 3.59Å; I1404-F1413 HydrophobicContact CD1-CE2 3.81Å; I1404-F1413 HydrophobicContact CD1-CG 4.28Å; I1404-F1413 HydrophobicContact CD1-CZ 3.48Å; I1404-F1413 VanDerWaalsContact CD1-CZ 3.48Å; I1404-F1413 HydrophobicContact CG1-CD2 4.23Å; I1404-F1413 HydrophobicContact CG1-CE1 4.44Å; I1404-F1413 HydrophobicContact CG1-CE2 3.74Å; I1404-F1413 HydrophobicContact CG1-CZ 3.85Å; I1404-F1413 HydrophobicContact CG2-CD2 4.42Å; I1410-F1413 HydrophobicContact CB-CD2 4.38Å; I1410-F1413 HydrophobicContact CG2-CD2 4.02Å; I1410-F1413 HydrophobicContact CG2-CE2 4.36Å; I1410-F1413 PolarHBondContact O-N 3.31Å; F1413-I1415 HydrophobicContact CB-CG1 4.2Å; F1413-V1434 HydrophobicContact CD1-CG1 3.96Å; F1413-R1435 CarbonylContact C-O 3.5Å; F1413-R1435 WeakPolarHBondContact CA-O 3.46Å; F1413-L1441 HydrophobicContact CE1-CB 3.68Å; F1413-L1441 HydrophobicContact CE1-CD1 3.88Å; F1413-L1441 HydrophobicContact CE1-CG 4.43Å; F1413-L1441 HydrophobicContact CE2-CD1 4.16Å; F1413-L1441 HydrophobicContact CZ-CB 3.78Å; F1413-L1441 HydrophobicContact CZ-CD1 3.61Å; F1413-L1441 HydrophobicContact CZ-CG 4.23Å
1414S89.2Confident83Confident63 Ų6368 Ų6844%0.44136%0.356SS..EExtended strand (participates in β ladder)trans-97.1120159.4-176.10000107.7R1435S1414-R1435 PolarHBondContact N-O 3.42Å; S1414-R1435 PolarHBondContact O-N 2.84Å
1415I89.5Confident82.4Confident54 Ų5473.2 Ų73.228%0.27738%0.378SS..EExtended strand (participates in β ladder)trans-113107.8179.7-54.8177.5000107.9I1404 F1406 F1413 L1432I1404-I1415 HydrophobicContact CG2-CD1 3.63Å; F1406-I1415 HydrophobicContact CD1-CD1 4.05Å; F1406-I1415 HydrophobicContact CD1-CG2 4.11Å; F1406-I1415 HydrophobicContact CE1-CD1 4.14Å; F1406-I1415 HydrophobicContact CE1-CG2 3.94Å; F1413-I1415 HydrophobicContact CB-CG1 4.2Å; I1415-L1432 HydrophobicContact CG2-CD2 4.24Å
1416E90.1Very high82.2Confident72 Ų7277.4 Ų77.434%0.33640%0.398SS..EExtended strand (participates in β ladder)trans-95.5129.7175.6-73.4158.2-122.900109.1T1433 R1435E1416-T1433 PolarHBondContact N-O 3.23Å; E1416-T1433 PolarHBondContact O-N 3.25Å; E1416-R1435 IonicContact OE1-CZ 2.71Å; E1416-R1435 IonicContact OE1-NE 3.88Å; E1416-R1435 IonicContact OE1-NH1 3.35Å; E1416-R1435 PolarHBondContact OE1-NH1 2.73Å; E1416-R1435 IonicContact OE2-CZ 3.65Å; E1416-R1435 IonicContact OE2-NH1 2.75Å; E1416-R1435 PolarHBondContact OE2-NH1 2.72Å
1417I90.6Very high82.4Confident87 Ų8779 Ų7945%0.44642%0.415SS..EExtended strand (participates in β ladder)trans-98.9103.4175.1-60.2160.5000106.9L1391 E1419 N1420 L1430 L1432L1391-I1417 HydrophobicContact CD1-CD1 3.75Å; L1391-I1417 HydrophobicContact CD2-CD1 4.45Å; I1417-E1419 WeakPolarHBondContact CG2-O 3.32Å; I1417-N1420 HydrophobicContact CG2-CB 3.95Å; I1417-L1430 HydrophobicContact CG2-CD1 4.03Å; I1417-L1432 HydrophobicContact CG1-CD2 3.84Å
1418E90.3Very high83.3Confident81 Ų8174.3 Ų74.338%0.37939%0.393SS..EExtended strand (participates in β ladder)trans-81.2-29.4-179.2-65.7-176.8-169.800111.9R1379 L1431 T1433R1379-E1418 IonicContact CZ-OE1 3.12Å; R1379-E1418 IonicContact CZ-OE2 2.74Å; R1379-E1418 IonicContact NE-OE1 2.75Å; R1379-E1418 PolarHBondContact NE-OE1 3.31Å; R1379-E1418 IonicContact NE-OE2 3.78Å; R1379-E1418 PolarHBondContact NE-OE2 3.41Å; R1379-E1418 VanDerWaalsContact NH2-CD 3.3Å; R1379-E1418 IonicContact NH2-OE1 2.7Å; R1379-E1418 PolarHBondContact NH2-OE1 3.4Å; R1379-E1418 IonicContact NH2-OE2 2.7Å; R1379-E1418 PolarHBondContact NH2-OE2 2.74Å; R1379-E1418 VanDerWaalsContact NH2-OE2 3.11Å; E1418-L1431 HydrophobicContact CB-CB 4.3Å; E1418-L1431 HydrophobicContact CB-CD2 3.79Å; E1418-L1431 HydrophobicContact CB-CG 3.93Å; E1418-L1431 PolarHBondContact N-O 3.43Å; E1418-L1431 WeakPolarHBondContact OE2-CD2 3.46Å; E1418-T1433 VanDerWaalsContact CD-OG1 3.29Å; E1418-T1433 WeakPolarHBondContact OE1-CB 3.14Å; E1418-T1433 PolarHBondContact OE1-OG1 3.38Å
1419E90.9Very high84.5Confident71 Ų7168.6 Ų68.633%0.33237%0.368SS..EExtended strand (participates in β ladder)trans-146.7144.4172.1-160.9-156.412100110.5I1417 S1421 S1429 L1430 L1431I1417-E1419 WeakPolarHBondContact CG2-O 3.32Å; E1419-S1421 WeakPolarHBondContact OE1-CB 3Å; E1419-S1421 PolarHBondContact OE1-OG 2.91Å; E1419-S1429 PolarHBondContact OE1-OG 2.96Å; E1419-S1429 PolarHBondContact OE2-OG 3.09Å; E1419-L1430 CarbonylContact O-C 3.56Å; E1419-L1430 WeakPolarHBondContact O-CA 3.45Å; E1419-L1431 HydrophobicContact CB-CB 3.88Å; E1419-L1431 PolarHBondContact N-O 2.92Å; E1419-L1431 PolarHBondContact O-N 2.8Å
1420N91Very high86.1Confident65 Ų6561.6 Ų61.635%0.34833%0.325SS..EExtended strand (participates in β ladder)trans-146.584.5165.8-176.80.3000110.8I1417 S1429 L1430I1417-N1420 HydrophobicContact CG2-CB 3.95Å; N1420-S1429 WeakPolarHBondContact CA-O 2.97Å; N1420-L1430 HydrophobicContact CB-CD1 3.76Å
1421S91.7Very high87.4Confident19 Ų1961.4 Ų61.413%0.13332%0.324CS..  trans-91.2-5.5177.156.50000114.2E1419 G1423 H1424 K1425 G1428 S1429E1419-S1421 WeakPolarHBondContact OE1-CB 3Å; E1419-S1421 PolarHBondContact OE1-OG 2.91Å; S1421-G1423 VanDerWaalsContact C-N 3.31Å; S1421-G1423 PolarHBondContact O-N 3.03Å; S1421-H1424 PolarHBondContact O-N 3.35Å; S1421-H1424 VanDerWaalsContact O-N 3.16Å; S1421-K1425 PolarHBondContact O-N 3.13Å; S1421-G1428 WeakPolarHBondContact OG-CA 3.35Å; S1421-S1429 PolarHBondContact N-O 3.45Å; S1421-S1429 PolarHBondContact OG-N 3.13Å; S1421-S1429 PolarHBondContact OG-O 3.44Å
1422C88.6Confident88.2Confident3 Ų355.9 Ų55.92%0.0230%0.299CS..THydrogen-bonded Turntrans-55.7-38.8179.7-59.90000114C1384 I1390 H1424C1384-C1422 HydrophobicContact CB-CB 4.04Å; C1384-C1422 WeakPolarHBondContact CB-SG 3.03Å; C1384-C1422 WeakPolarHBondContact SG-CA 3.32Å; C1384-C1422 WeakPolarHBondContact SG-CB 3.44Å; C1384-C1422 CovalentContact SG-SG 2.02Å; C1384-C1422 PolarHBondContact SG-SG 3.36Å; I1390-C1422 HydrophobicContact CB-CB 4.12Å; I1390-C1422 HydrophobicContact CG2-CB 3.76Å; C1422-H1424 VanDerWaalsContact C-N 3.26Å; C1422-H1424 PolarHBondContact O-N 2.73Å
1423G78Confident88.6Confident32 Ų3253.7 Ų53.733%0.3329%0.287SS..THydrogen-bonded Turntrans-70.1-18.1-178.300000115S1421S1421-G1423 VanDerWaalsContact C-N 3.31Å; S1421-G1423 PolarHBondContact O-N 3.03Å
1424H75.9Confident88.7Confident142 Ų14252.8 Ų52.866%0.65728%0.283SS*.THydrogen-bonded Turntrans-115.3-14.1-166.2-70.1-83.9000114.9S1421 C1422S1421-H1424 PolarHBondContact O-N 3.35Å; S1421-H1424 VanDerWaalsContact O-N 3.16Å; C1422-H1424 VanDerWaalsContact C-N 3.26Å; C1422-H1424 PolarHBondContact O-N 2.73Å
1425K76.7Confident88.9Confident112 Ų11253 Ų5349%0.48728%0.275SS..SBendtrans-132.9157.8-174-66.1-178.2-179.9178.70111.2S1421 S1427S1421-K1425 PolarHBondContact O-N 3.13Å; K1425-S1427 WeakPolarHBondContact CB-O 3.45Å; K1425-S1427 PolarHBondContact O-N 3.38Å
1426Q82Confident89Confident156 Ų15650.7 Ų50.773%0.72926%0.263SS*.SBendtrans-63.9-29.1171.2-88.1-171.3-24.200112.6R1385 N1386R1385-Q1426 CarbonylContact C-O 3.31Å; R1385-Q1426 WeakPolarHBondContact CA-O 3.25Å; R1385-Q1426 WeakPolarHBondContact CG-O 3.35Å; N1386-Q1426 PolarHBondContact N-O 2.84Å
1427S89.3Confident89.1Confident75 Ų7552.9 Ų52.952%0.52427%0.271SS..EExtended strand (participates in β ladder)trans-134.2142.7168.551.40000110.3C1384 K1425C1384-S1427 CarbonylContact O-C 3.49Å; C1384-S1427 VanDerWaalsContact O-CA 3.31Å; C1384-S1427 WeakPolarHBondContact O-CA 3.48Å; K1425-S1427 WeakPolarHBondContact CB-O 3.45Å; K1425-S1427 PolarHBondContact O-N 3.38Å
1428G91.3Very high89.2Confident15 Ų1553.1 Ų53.116%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-163.8-167-179.300000112.8N1383 C1384 S1421N1383-G1428 WeakPolarHBondContact CA-O 3.24Å; C1384-G1428 PolarHBondContact N-O 2.85Å; C1384-G1428 PolarHBondContact O-N 3.03Å; C1384-G1428 PolarHBondContact SG-O 3.28Å; S1421-G1428 WeakPolarHBondContact OG-CA 3.35Å
1429S93.5Very high89.4Confident19 Ų1949.8 Ų49.813%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-136.9143.6-177.722.20000110.9E1419 N1420 S1421E1419-S1429 PolarHBondContact OE1-OG 2.96Å; E1419-S1429 PolarHBondContact OE2-OG 3.09Å; N1420-S1429 WeakPolarHBondContact CA-O 2.97Å; S1421-S1429 PolarHBondContact N-O 3.45Å; S1421-S1429 PolarHBondContact OG-N 3.13Å; S1421-S1429 PolarHBondContact OG-O 3.44Å
1430L93.1Very high89.5Confident0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-112.9114.5164176.977.9000107.1K1381 V1382 I1390 L1391 I1394 I1417 E1419 N1420 L1432K1381-L1430 WeakPolarHBondContact CA-O 2.97Å; V1382-L1430 HydrophobicContact CB-CB 4.34Å; V1382-L1430 PolarHBondContact N-O 3.22Å; V1382-L1430 PolarHBondContact O-N 2.9Å; I1390-L1430 HydrophobicContact CG1-CD2 4.11Å; I1390-L1430 HydrophobicContact CG2-CB 4.27Å; I1390-L1430 HydrophobicContact CG2-CD1 4.18Å; I1390-L1430 HydrophobicContact CG2-CD2 3.97Å; I1390-L1430 HydrophobicContact CG2-CG 4.37Å; L1391-L1430 HydrophobicContact CD2-CD1 4.09Å; L1391-L1430 HydrophobicContact CD2-CD2 3.86Å; L1391-L1430 HydrophobicContact CG-CD1 4.26Å; L1391-L1430 HydrophobicContact CG-CD2 4.41Å; I1394-L1430 HydrophobicContact CD1-CD2 3.75Å; I1417-L1430 HydrophobicContact CG2-CD1 4.03Å; E1419-L1430 CarbonylContact O-C 3.56Å; E1419-L1430 WeakPolarHBondContact O-CA 3.45Å; N1420-L1430 HydrophobicContact CB-CD1 3.76Å; L1430-L1432 HydrophobicContact CD1-CD2 4.21Å; L1430-L1432 HydrophobicContact CD2-CD1 3.92Å; L1430-L1432 HydrophobicContact CD2-CD2 4.11Å; L1430-L1432 HydrophobicContact CD2-CG 4.02Å; L1430-L1432 HydrophobicContact CG-CD1 4.44Å; L1430-L1432 HydrophobicContact CG-CD2 4.05Å; L1430-L1432 HydrophobicContact CG-CG 4.01Å
1431L93.7Very high89.7Confident41 Ų4146.4 Ų46.422%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-104.3117.9175.6-179.562.8000109.1K1381 E1418 E1419K1381-L1431 HydrophobicContact CB-CD1 3.94Å; E1418-L1431 HydrophobicContact CB-CB 4.3Å; E1418-L1431 HydrophobicContact CB-CD2 3.79Å; E1418-L1431 HydrophobicContact CB-CG 3.93Å; E1418-L1431 PolarHBondContact N-O 3.43Å; E1418-L1431 WeakPolarHBondContact OE2-CD2 3.46Å; E1419-L1431 HydrophobicContact CB-CB 3.88Å; E1419-L1431 PolarHBondContact N-O 2.92Å; E1419-L1431 PolarHBondContact O-N 2.8Å
1432L92.8Very high89.9Confident0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-113135.9-178.1-60.8170.3000110.1R1379 L1380 L1391 I1394 F1406 I1415 I1417 L1430R1379-L1432 CarbonylContact C-O 3.15Å; R1379-L1432 WeakPolarHBondContact CA-O 3.35Å; L1380-L1432 HydrophobicContact CB-CB 4.37Å; L1380-L1432 HydrophobicContact CD2-CD1 4.46Å; L1380-L1432 PolarHBondContact N-O 3.2Å; L1380-L1432 PolarHBondContact O-N 2.93Å; L1391-L1432 HydrophobicContact CD2-CD2 4.34Å; I1394-L1432 HydrophobicContact CD1-CD1 4.32Å; F1406-L1432 HydrophobicContact CE1-CD1 3.7Å; F1406-L1432 HydrophobicContact CE1-CD2 4.06Å; F1406-L1432 HydrophobicContact CZ-CD1 3.58Å; I1415-L1432 HydrophobicContact CG2-CD2 4.24Å; I1417-L1432 HydrophobicContact CG1-CD2 3.84Å; L1430-L1432 HydrophobicContact CD1-CD2 4.21Å; L1430-L1432 HydrophobicContact CD2-CD1 3.92Å; L1430-L1432 HydrophobicContact CD2-CD2 4.11Å; L1430-L1432 HydrophobicContact CD2-CG 4.02Å; L1430-L1432 HydrophobicContact CG-CD1 4.44Å; L1430-L1432 HydrophobicContact CG-CD2 4.05Å; L1430-L1432 HydrophobicContact CG-CG 4.01Å
1433T93Very high90.2Very high1 Ų145.4 Ų45.41%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-113.9111.4165.7-72.80000108.1I1377 Q1378 R1379 E1416 E1418 R1435I1377-T1433 HydrophobicContact CG2-CG2 4.17Å; Q1378-T1433 WeakPolarHBondContact O-CA 3.38Å; R1379-T1433 WeakPolarHBondContact CG-OG1 3.2Å; R1379-T1433 PolarHBondContact NE-OG1 3.23Å; E1416-T1433 PolarHBondContact N-O 3.23Å; E1416-T1433 PolarHBondContact O-N 3.25Å; E1418-T1433 VanDerWaalsContact CD-OG1 3.29Å; E1418-T1433 WeakPolarHBondContact OE1-CB 3.14Å; E1418-T1433 PolarHBondContact OE1-OG1 3.38Å; T1433-R1435 HydrophobicContact CG2-CG 4.16Å
1434V92.6Very high91Very high1 Ų144 Ų441%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-99.8119.6178.2-177.70000108.4I1377 Q1378 L1396 F1413 L1442I1377-V1434 WeakPolarHBondContact CA-O 3.47Å; Q1378-V1434 PolarHBondContact N-O 2.79Å; Q1378-V1434 PolarHBondContact O-N 2.67Å; L1396-V1434 HydrophobicContact CD1-CG2 3.98Å; F1413-V1434 HydrophobicContact CD1-CG1 3.96Å; V1434-L1442 HydrophobicContact CG1-CD2 4.35Å
1435R92.4Very high91.8Very high67 Ų6738.5 Ų38.525%0.25320%0.197SC..EExtended strand (participates in β ladder)trans-116.4145.1176.7-68.6-177.8161.9133.7-1.6110.7A1376 I1377 F1413 S1414 E1416 T1433A1376-R1435 WeakPolarHBondContact O-CA 3.4Å; I1377-R1435 HydrophobicContact CB-CG 4.4Å; I1377-R1435 HydrophobicContact CG1-CG 4.08Å; I1377-R1435 HydrophobicContact CG2-CG 3.97Å; F1413-R1435 CarbonylContact C-O 3.5Å; F1413-R1435 WeakPolarHBondContact CA-O 3.46Å; S1414-R1435 PolarHBondContact N-O 3.42Å; S1414-R1435 PolarHBondContact O-N 2.84Å; E1416-R1435 IonicContact OE1-CZ 2.71Å; E1416-R1435 IonicContact OE1-NE 3.88Å; E1416-R1435 IonicContact OE1-NH1 3.35Å; E1416-R1435 PolarHBondContact OE1-NH1 2.73Å; E1416-R1435 IonicContact OE2-CZ 3.65Å; E1416-R1435 IonicContact OE2-NH1 2.75Å; E1416-R1435 PolarHBondContact OE2-NH1 2.72Å; T1433-R1435 HydrophobicContact CG2-CG 4.16Å
1436T92.6Very high92.6Very high6 Ų633.5 Ų33.54%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-149149.4171.7-175.90000112V1375 A1376 L1412 Q1438 L1441 L1442V1375-T1436 WeakPolarHBondContact CA-O 3.4Å; A1376-T1436 HydrophobicContact CB-CG2 4.17Å; A1376-T1436 PolarHBondContact N-O 3.49Å; A1376-T1436 PolarHBondContact O-N 3.2Å; L1412-T1436 WeakPolarHBondContact O-CB 3.49Å; L1412-T1436 PolarHBondContact O-OG1 3.32Å; T1436-Q1438 VanDerWaalsContact C-N 3.28Å; T1436-Q1438 VanDerWaalsContact CG2-O 3.3Å; T1436-Q1438 WeakPolarHBondContact CG2-O 3.25Å; T1436-Q1438 PolarHBondContact OG1-N 2.95Å; T1436-Q1438 VanDerWaalsContact OG1-N 3.11Å; T1436-L1441 HydrophobicContact CG2-CB 4.36Å; T1436-L1442 HydrophobicContact CG2-CD1 3.9Å; T1436-L1442 HydrophobicContact CG2-CG 4.01Å
1437K92.2Very high93Very high117 Ų11726.1 Ų26.151%0.50914%0.141SC..SBendtrans-91.513.9170.6-46.4-167.6-169.3-1640112.4E1374 D1472E1374-K1437 CarbonylContact O-C 3.55Å; E1374-K1437 WeakPolarHBondContact O-CA 3.33Å; K1437-D1472 WeakPolarHBondContact CE-OD2 3.32Å; K1437-D1472 IonicContact NZ-OD1 3.26Å; K1437-D1472 IonicContact NZ-OD2 2.67Å; K1437-D1472 PolarHBondContact NZ-OD2 3.44Å
1438Q92.7Very high93Very high92 Ų9223.8 Ų23.843%0.4312%0.12SC..  trans-127.487.1171.9-68.7-173.3-5.300108.2T1436 S1440 L1441T1436-Q1438 VanDerWaalsContact C-N 3.28Å; T1436-Q1438 VanDerWaalsContact CG2-O 3.3Å; T1436-Q1438 WeakPolarHBondContact CG2-O 3.25Å; T1436-Q1438 PolarHBondContact OG1-N 2.95Å; T1436-Q1438 VanDerWaalsContact OG1-N 3.11Å; Q1438-S1440 PolarHBondContact O-N 3.45Å; Q1438-L1441 HydrophobicContact CB-CD1 3.84Å; Q1438-L1441 HydrophobicContact CB-CG 3.85Å; Q1438-L1441 WeakPolarHBondContact O-CB 3.49Å; Q1438-L1441 WeakPolarHBondContact O-CG 3.43Å; Q1438-L1441 PolarHBondContact O-N 3.39Å
1439P93.7Very high92.9Very high11 Ų1123.2 Ų23.27%0.07111%0.114CC..G310 helixtrans-55.7-28-173.5-30.537.7000115.1Q1370 S1373 A1376 L1441 L1442 Y1468Q1370-P1439 HydrophobicContact CB-CB 4.17Å; Q1370-P1439 HydrophobicContact CG-CB 4.38Å; Q1370-P1439 WeakPolarHBondContact O-CB 3.33Å; S1373-P1439 WeakPolarHBondContact O-CG 3.1Å; A1376-P1439 HydrophobicContact CB-CB 4.03Å; A1376-P1439 HydrophobicContact CB-CG 4.44Å; P1439-L1441 PolarHBondContact O-N 3.49Å; P1439-L1441 VanDerWaalsContact O-N 3.1Å; P1439-L1442 PolarHBondContact O-N 3.03Å; P1439-Y1468 HydrophobicContact CB-CD1 4.15Å; P1439-Y1468 HydrophobicContact CB-CE1 4.23Å
1440S93.6Very high92.6Very high64 Ų6423.3 Ų23.345%0.44811%0.113SC..G310 helixtrans-67.40.9174.454.30000115.5Q1438Q1438-S1440 PolarHBondContact O-N 3.45Å
1441L94.5Very high91.9Very high2 Ų224.2 Ų24.21%0.0112%0.119CC..G310 helixtrans-92.1-10.2167.5-54.4-176.9000112.7S1398 D1399 N1400 M1402 L1412 F1413 T1436 Q1438 P1439S1398-L1441 WeakPolarHBondContact CB-O 2.98Å; D1399-L1441 PolarHBondContact N-O 2.71Å; N1400-L1441 WeakPolarHBondContact ND2-CD2 3.46Å; M1402-L1441 HydrophobicContact CE-CD2 3.87Å; L1412-L1441 HydrophobicContact CB-CD1 3.92Å; L1412-L1441 HydrophobicContact CD1-CD1 4.32Å; F1413-L1441 HydrophobicContact CE1-CB 3.68Å; F1413-L1441 HydrophobicContact CE1-CD1 3.88Å; F1413-L1441 HydrophobicContact CE1-CG 4.43Å; F1413-L1441 HydrophobicContact CE2-CD1 4.16Å; F1413-L1441 HydrophobicContact CZ-CB 3.78Å; F1413-L1441 HydrophobicContact CZ-CD1 3.61Å; F1413-L1441 HydrophobicContact CZ-CG 4.23Å; T1436-L1441 HydrophobicContact CG2-CB 4.36Å; Q1438-L1441 HydrophobicContact CB-CD1 3.84Å; Q1438-L1441 HydrophobicContact CB-CG 3.85Å; Q1438-L1441 WeakPolarHBondContact O-CB 3.49Å; Q1438-L1441 WeakPolarHBondContact O-CG 3.43Å; Q1438-L1441 PolarHBondContact O-N 3.39Å; P1439-L1441 PolarHBondContact O-N 3.49Å; P1439-L1441 VanDerWaalsContact O-N 3.1Å
1442L95.4Very high90.8Very high0 Ų027.3 Ų27.30%014%0.136CC..  trans-121.1152.2178.4-72.8-177.6000110.3Q1370 A1376 Q1378 V1434 T1436 P1439 I1444 I1466 Y1468Q1370-L1442 PolarHBondContact NE2-O 2.94Å; A1376-L1442 HydrophobicContact CB-CB 4.1Å; A1376-L1442 HydrophobicContact CB-CD1 3.86Å; A1376-L1442 HydrophobicContact CB-CG 4.46Å; Q1378-L1442 HydrophobicContact CB-CD1 4.31Å; V1434-L1442 HydrophobicContact CG1-CD2 4.35Å; T1436-L1442 HydrophobicContact CG2-CD1 3.9Å; T1436-L1442 HydrophobicContact CG2-CG 4.01Å; P1439-L1442 PolarHBondContact O-N 3.03Å; L1442-I1444 HydrophobicContact CD2-CD1 3.6Å; L1442-I1444 HydrophobicContact CD2-CG1 3.88Å; L1442-I1466 HydrophobicContact CB-CD1 3.69Å; L1442-I1466 HydrophobicContact CD1-CD1 3.81Å; L1442-I1466 HydrophobicContact CG-CD1 4.31Å; L1442-Y1468 PolarHBondContact O-OH 3.41Å; L1442-Y1468 VanDerWaalsContact O-OH 3.05Å
1443P95.7Very high89.6Confident1 Ų129.5 Ų29.51%0.00616%0.158CC..SBendcis-82.5169.413.336.2-36.6000114.6Y1359 D1399 R1445 I1466 Y1468Y1359-P1443 HydrophobicContact CD1-CB 4.44Å; Y1359-P1443 HydrophobicContact CD2-CB 4.04Å; Y1359-P1443 HydrophobicContact CD2-CG 3.63Å; Y1359-P1443 HydrophobicContact CE1-CB 3.97Å; Y1359-P1443 HydrophobicContact CE2-CB 3.52Å; Y1359-P1443 HydrophobicContact CE2-CG 3.48Å; Y1359-P1443 VanDerWaalsContact CE2-CG 3.48Å; Y1359-P1443 HydrophobicContact CG-CB 4.49Å; Y1359-P1443 HydrophobicContact CG-CG 4.27Å; Y1359-P1443 VanDerWaalsContact CZ-CB 3.49Å; D1399-P1443 PolarHBondContact N-O 2.57Å; D1399-P1443 VanDerWaalsContact N-O 3.13Å; P1443-R1445 PolarHBondContact O-N 3.35Å; P1443-I1466 HydrophobicContact CB-CB 4.22Å; P1443-I1466 HydrophobicContact CB-CG1 4.18Å; P1443-I1466 HydrophobicContact CB-CG2 4.17Å; P1443-Y1468 WeakPolarHBondContact CD-OH 3.27Å
1444I94.9Very high88.5Confident1 Ų131 Ų311%0.00517%0.166CC..  trans-66.6127.8168-60.7-56.5000109.6I1357 Y1359 L1396 L1397 I1404 L1442I1357-I1444 HydrophobicContact CD1-CG2 4.44Å; Y1359-I1444 WeakPolarHBondContact CE2-O 3.49Å; Y1359-I1444 PolarHBondContact OH-O 2.81Å; L1396-I1444 HydrophobicContact CB-CD1 4.05Å; L1396-I1444 HydrophobicContact CB-CG2 4.24Å; L1396-I1444 HydrophobicContact CD1-CD1 4.1Å; L1396-I1444 HydrophobicContact CD1-CG1 4.38Å; L1397-I1444 CarbonylContact O-C 2.96Å; L1397-I1444 WeakPolarHBondContact O-CA 2.98Å; I1404-I1444 HydrophobicContact CD1-CD1 3.92Å; L1442-I1444 HydrophobicContact CD2-CD1 3.6Å; L1442-I1444 HydrophobicContact CD2-CG1 3.88Å
1445R92.9Very high87.5Confident28 Ų2839.9 Ų39.911%0.10620%0.201CC..  trans-98.1-24.2-177.5-71.3-65.1179.7-171.4-1.4114.6Q1356 I1357 L1397 D1399 P1443Q1356-R1445 HydrophobicContact CB-CB 4.39Å; Q1356-R1445 HydrophobicContact CG-CB 4.43Å; I1357-R1445 WeakPolarHBondContact CG1-O 3.34Å; I1357-R1445 PolarHBondContact N-O 3.47Å; I1357-R1445 PolarHBondContact O-NH1 2.66Å; I1357-R1445 VanDerWaalsContact O-NH1 3.15Å; L1397-R1445 HydrophobicContact CD2-CB 4.24Å; L1397-R1445 HydrophobicContact CG-CB 4.41Å; L1397-R1445 PolarHBondContact O-N 3.25Å; D1399-R1445 IonicContact OD1-CZ 3.44Å; D1399-R1445 IonicContact OD1-NE 2.83Å; D1399-R1445 PolarHBondContact OD1-NE 2.94Å; D1399-R1445 IonicContact OD1-NH2 3.41Å; D1399-R1445 PolarHBondContact OD1-NH2 3.4Å; P1443-R1445 PolarHBondContact O-N 3.35Å
1446D91.9Very high87Confident6 Ų642.7 Ų42.73%0.03222%0.221CC..EExtended strand (participates in β ladder)trans-166.3172.4-179.5-144.8-33.9000112.3W1344 Y1345 S1346 L1397W1344-D1446 HydrophobicContact CE3-CB 3.72Å; W1344-D1446 HydrophobicContact CZ3-CB 4Å; Y1345-D1446 PolarHBondContact N-OD1 3.03Å; S1346-D1446 VanDerWaalsContact CB-OD2 3.29Å; S1346-D1446 WeakPolarHBondContact CB-OD2 3.43Å; S1346-D1446 PolarHBondContact N-OD1 3.21Å; S1346-D1446 PolarHBondContact OG-OD2 2.89Å; L1397-D1446 HydrophobicContact CB-CB 3.91Å; L1397-D1446 HydrophobicContact CD2-CB 3.94Å; L1397-D1446 PolarHBondContact N-O 3.5Å
1447I91.3Very high86.6Confident1 Ų142.5 Ų42.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-127.9125.2169.4-52.5-173.2000109.5Y1345 L1380 V1382 I1394 S1395 L1396 I1449 L1461Y1345-I1447 WeakPolarHBondContact CB-O 3.45Å; Y1345-I1447 PolarHBondContact N-O 2.79Å; L1380-I1447 HydrophobicContact CD2-CD1 3.92Å; V1382-I1447 HydrophobicContact CG2-CD1 4.22Å; I1394-I1447 HydrophobicContact CB-CG2 3.97Å; I1394-I1447 HydrophobicContact CG2-CG2 4Å; S1395-I1447 CarbonylContact O-C 3.5Å; S1395-I1447 WeakPolarHBondContact O-CA 3.49Å; L1396-I1447 HydrophobicContact CD2-CD1 4.04Å; L1396-I1447 HydrophobicContact CD2-CG1 3.85Å; L1396-I1447 HydrophobicContact CD2-CG2 4.29Å; I1447-I1449 HydrophobicContact CG2-CG1 4.45Å; I1447-L1461 HydrophobicContact CD1-CD1 3.48Å; I1447-L1461 VanDerWaalsContact CD1-CD1 3.48Å; I1447-L1461 HydrophobicContact CD1-CD2 3.64Å; I1447-L1461 HydrophobicContact CD1-CG 4.17Å; I1447-L1461 HydrophobicContact CG1-CD2 4.14Å
1448R90.2Very high86.4Confident27 Ų2738.2 Ų38.210%0.10220%0.202CC..EExtended strand (participates in β ladder)trans-87.8135170.4-157.2-173.764.7-171.4-5.9109.7L1343 W1344 I1394 S1395 L1403 E1405L1343-R1448 CarbonylContact O-C 3.5Å; L1343-R1448 WeakPolarHBondContact O-CA 3.27Å; W1344-R1448 HydrophobicContact CD2-CB 4.34Å; W1344-R1448 HydrophobicContact CD2-CG 4.29Å; W1344-R1448 HydrophobicContact CE3-CB 3.75Å; W1344-R1448 HydrophobicContact CE3-CG 4.2Å; W1344-R1448 HydrophobicContact CH2-CB 3.94Å; W1344-R1448 HydrophobicContact CH2-CG 4.24Å; W1344-R1448 HydrophobicContact CZ2-CB 4.48Å; W1344-R1448 HydrophobicContact CZ2-CG 4.3Å; W1344-R1448 HydrophobicContact CZ3-CB 3.53Å; W1344-R1448 HydrophobicContact CZ3-CG 4.18Å; I1394-R1448 CarbonylContact C-O 3.43Å; I1394-R1448 VanDerWaalsContact CA-O 3.31Å; I1394-R1448 WeakPolarHBondContact CA-O 3.04Å; S1395-R1448 PolarHBondContact N-O 3.14Å; S1395-R1448 PolarHBondContact O-N 3.17Å; S1395-R1448 PolarHBondContact OG-NH2 3.17Å; L1403-R1448 VanDerWaalsContact CD2-CZ 3.47Å; E1405-R1448 IonicContact OE1-CZ 3.91Å; E1405-R1448 IonicContact OE1-NH1 3.73Å; E1405-R1448 PolarHBondContact OE1-NH1 3.24Å; E1405-R1448 IonicContact OE1-NH2 2.82Å; E1405-R1448 PolarHBondContact OE1-NH2 3.15Å
1449I88.8Confident86.3Confident2 Ų234 Ų341%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-120.4131-179.1-60.4163.4000109.8I1333 L1335 R1342 L1343 Y1345 I1393 I1394 I1447 T1451 L1459I1333-I1449 HydrophobicContact CD1-CD1 3.37Å; L1335-I1449 HydrophobicContact CD1-CG2 4.29Å; L1335-I1449 HydrophobicContact CD2-CG2 4.08Å; R1342-I1449 VanDerWaalsContact CA-O 3.27Å; R1342-I1449 WeakPolarHBondContact CA-O 3.48Å; L1343-I1449 PolarHBondContact N-O 2.79Å; L1343-I1449 PolarHBondContact O-N 2.78Å; Y1345-I1449 HydrophobicContact CD2-CD1 4.03Å; I1393-I1449 HydrophobicContact CG2-CG2 3.88Å; I1393-I1449 CarbonylContact O-C 3.38Å; I1394-I1449 HydrophobicContact CG2-CG1 4.38Å; I1447-I1449 HydrophobicContact CG2-CG1 4.45Å; I1449-T1451 HydrophobicContact CG2-CG2 4.06Å; I1449-L1459 HydrophobicContact CD1-CD2 3.61Å; I1449-L1459 HydrophobicContact CG1-CD2 4.17Å
1450T87.7Confident86.1Confident21 Ų2134.7 Ų34.713%0.12919%0.187CC..EExtended strand (participates in β ladder)trans-107.195.6-176.7-50.60000112.2K1341 R1342 I1393 N1452K1341-T1450 CarbonylContact O-C 3.54Å; K1341-T1450 WeakPolarHBondContact O-CA 3.37Å; R1342-T1450 HydrophobicContact CG-CG2 4.29Å; I1393-T1450 PolarHBondContact O-N 3.42Å; I1393-T1450 PolarHBondContact O-OG1 3.4Å; T1450-N1452 VanDerWaalsContact C-N 3.3Å; T1450-N1452 PolarHBondContact O-N 3Å
1451T76.9Confident85.9Confident19 Ų1931.7 Ų31.712%0.11717%0.166CC..  trans-82.548.3-167.550.40000114.6L1335 Q1340 K1341 L1343 I1449 G1453L1335-T1451 HydrophobicContact CB-CG2 4.34Å; L1335-T1451 HydrophobicContact CD2-CG2 4.17Å; Q1340-T1451 PolarHBondContact O-OG1 3.18Å; K1341-T1451 WeakPolarHBondContact CA-OG1 3.4Å; K1341-T1451 PolarHBondContact O-N 3.36Å; K1341-T1451 PolarHBondContact O-OG1 2.71Å; L1343-T1451 HydrophobicContact CD1-CG2 3.95Å; I1449-T1451 HydrophobicContact CG2-CG2 4.06Å; T1451-G1453 VanDerWaalsContact C-N 3.3Å; T1451-G1453 PolarHBondContact O-N 2.75Å
1452N71.6Confident85.8Confident106 Ų10633.8 Ų33.857%0.56718%0.176SC*.SBendtrans-74.774.2178.8-77.7-46.8000112.7K1341 T1450K1341-N1452 WeakPolarHBondContact CE-OD1 3.41Å; K1341-N1452 PolarHBondContact NZ-OD1 2.92Å; K1341-N1452 VanDerWaalsContact NZ-OD1 3.16Å; T1450-N1452 VanDerWaalsContact C-N 3.3Å; T1450-N1452 PolarHBondContact O-N 3Å
1453G66.9Low85.6Confident46 Ų4634 Ų3447%0.47418%0.178SC..SBendtrans94.717.7170.900000116.1T1451 Y1455T1451-G1453 VanDerWaalsContact C-N 3.3Å; T1451-G1453 PolarHBondContact O-N 2.75Å; G1453-Y1455 WeakPolarHBondContact O-CD2 3.35Å; G1453-Y1455 PolarHBondContact O-N 2.98Å; G1453-Y1455 VanDerWaalsContact O-N 3.17Å
1454L70Confident85.3Confident32 Ų3235 Ų3517%0.16819%0.187CC..  trans-83.584.8-179.4-71.5160.2000111.3L1335 I1387 I1393L1335-L1454 HydrophobicContact CD1-CB 4.22Å; L1335-L1454 HydrophobicContact CD1-CD1 4.1Å; I1387-L1454 HydrophobicContact CG1-CD2 4.36Å; I1387-L1454 HydrophobicContact CG2-CD2 4.4Å; I1393-L1454 HydrophobicContact CD1-CD1 3.71Å; I1393-L1454 HydrophobicContact CD1-CD2 4.32Å; I1393-L1454 HydrophobicContact CG1-CD1 4.1Å; I1393-L1454 HydrophobicContact CG2-CD1 3.94Å
1455Y71.1Confident85.2Confident189 Ų18937.2 Ų37.274%0.74120%0.201SC*.  trans-90.8139.6173.5-55.8-78.9000110.6G1453 S1457G1453-Y1455 WeakPolarHBondContact O-CD2 3.35Å; G1453-Y1455 PolarHBondContact O-N 2.98Å; G1453-Y1455 VanDerWaalsContact O-N 3.17Å; Y1455-S1457 PolarHBondContact O-N 3.37Å
1456D81.4Confident85.3Confident125 Ų12536 Ų3667%0.66820%0.196SC*.SBendtrans54.628.9-175.1-109.227.7000115.4N1386N1386-D1456 PolarHBondContact ND2-O 3.41Å
1457S86.1Confident85.5Confident3 Ų336 Ų362%0.02120%0.197CC..  trans-94.3140.5171.7-52.90000112.1L1335 R1385 N1386 Y1455L1335-S1457 PolarHBondContact N-O 3.43Å; R1385-S1457 VanDerWaalsContact O-CA 3.29Å; R1385-S1457 WeakPolarHBondContact O-CA 3.34Å; N1386-S1457 PolarHBondContact O-OG 3.34Å; Y1455-S1457 PolarHBondContact O-N 3.37Å
1458E87.7Confident85.7Confident26 Ų2636 Ų3612%0.12120%0.197CC..EExtended strand (participates in β ladder)trans-126.6143.1176.8171.8-178.7-153.300109.9S1332 I1333 Y1334 R1385S1332-E1458 WeakPolarHBondContact CB-OE1 3.48Å; S1332-E1458 PolarHBondContact OG-OE1 3.15Å; I1333-E1458 WeakPolarHBondContact O-CA 3.42Å; Y1334-E1458 HydrophobicContact CD1-CB 3.93Å; Y1334-E1458 HydrophobicContact CD1-CG 4.2Å; Y1334-E1458 HydrophobicContact CE1-CB 3.84Å; Y1334-E1458 HydrophobicContact CE1-CG 3.79Å; Y1334-E1458 VanDerWaalsContact OH-CD 3.29Å; Y1334-E1458 PolarHBondContact OH-OE1 3.12Å; R1385-E1458 HydrophobicContact CB-CB 4.06Å; R1385-E1458 WeakPolarHBondContact CD-OE2 3.42Å; R1385-E1458 IonicContact CZ-OE2 4Å; R1385-E1458 PolarHBondContact N-O 2.87Å; R1385-E1458 IonicContact NE-OE2 3.84Å; R1385-E1458 IonicContact NH1-OE2 3.45Å; R1385-E1458 PolarHBondContact NH1-OE2 3.09Å; R1385-E1458 PolarHBondContact O-N 3.49Å
1459L89.5Confident85.5Confident3 Ų335.3 Ų35.32%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-129.9147.2177.1-157.683.2000109.3S1332 I1333 Y1345 V1382 N1383 C1384 I1387 I1390 I1449S1332-L1459 CarbonylContact C-O 3.57Å; S1332-L1459 WeakPolarHBondContact CA-O 3.38Å; S1332-L1459 WeakPolarHBondContact CB-O 3.42Å; I1333-L1459 HydrophobicContact CD1-CB 4.26Å; I1333-L1459 HydrophobicContact CD1-CD2 4.34Å; I1333-L1459 HydrophobicContact CG1-CB 3.81Å; I1333-L1459 PolarHBondContact N-O 3.4Å; I1333-L1459 PolarHBondContact O-N 3.28Å; Y1345-L1459 HydrophobicContact CD2-CD2 4.29Å; Y1345-L1459 HydrophobicContact CE2-CD2 4.18Å; V1382-L1459 HydrophobicContact CG1-CD1 3.62Å; V1382-L1459 HydrophobicContact CG1-CD2 4Å; V1382-L1459 HydrophobicContact CG1-CG 3.84Å; N1383-L1459 WeakPolarHBondContact O-CA 3.3Å; N1383-L1459 WeakPolarHBondContact O-CD1 3.46Å; C1384-L1459 HydrophobicContact CB-CD1 4.32Å; I1387-L1459 HydrophobicContact CD1-CD1 3.59Å; I1390-L1459 HydrophobicContact CD1-CD1 3.68Å; I1449-L1459 HydrophobicContact CD1-CD2 3.61Å; I1449-L1459 HydrophobicContact CG1-CD2 4.17Å
1460S89.6Confident84.4Confident27 Ų2735.9 Ų35.919%0.18920%0.204CC..EExtended strand (participates in β ladder)trans-141.2153.7161.178.60000112.1Y1345 N1383Y1345-S1460 WeakPolarHBondContact OH-CA 3.36Å; N1383-S1460 WeakPolarHBondContact CB-OG 3.38Å; N1383-S1460 PolarHBondContact N-O 3.45Å; N1383-S1460 PolarHBondContact ND2-OG 2.81Å; N1383-S1460 PolarHBondContact O-N 2.79Å
1461L89.9Confident82.8Confident1 Ų138.6 Ų38.61%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-114.7125.3-174.1-177.858.6000111.8M1330 Y1345 I1357 L1380 V1382 I1447 V1463M1330-L1461 HydrophobicContact CB-CB 4.43Å; M1330-L1461 PolarHBondContact N-O 3.17Å; M1330-L1461 HydrophobicContact SD-CD2 4.24Å; Y1345-L1461 HydrophobicContact CD1-CB 4.44Å; Y1345-L1461 HydrophobicContact CD1-CD2 4.17Å; Y1345-L1461 HydrophobicContact CD2-CB 4.34Å; Y1345-L1461 HydrophobicContact CE1-CB 3.8Å; Y1345-L1461 HydrophobicContact CE1-CD2 4.26Å; Y1345-L1461 HydrophobicContact CE2-CB 3.69Å; Y1345-L1461 HydrophobicContact CG-CD2 4.37Å; Y1345-L1461 VanDerWaalsContact CZ-CB 3.41Å; Y1345-L1461 PolarHBondContact OH-N 2.87Å; I1357-L1461 HydrophobicContact CD1-CD2 4.27Å; L1380-L1461 HydrophobicContact CD1-CD1 3.79Å; L1380-L1461 HydrophobicContact CG-CD1 4.02Å; V1382-L1461 HydrophobicContact CG2-CD1 4.08Å; I1447-L1461 HydrophobicContact CD1-CD1 3.48Å; I1447-L1461 VanDerWaalsContact CD1-CD1 3.48Å; I1447-L1461 HydrophobicContact CD1-CD2 3.64Å; I1447-L1461 HydrophobicContact CD1-CG 4.17Å; I1447-L1461 HydrophobicContact CG1-CD2 4.14Å; L1461-V1463 HydrophobicContact CD2-CG2 3.82Å; L1461-V1463 HydrophobicContact CG-CG2 3.85Å
1462E91.6Very high81.6Confident46 Ų4639.2 Ų39.222%0.21522%0.219CC..EExtended strand (participates in β ladder)trans-104.8108.7163.8-82.6160.1-140.900108.5E1328 Q1329 K1381 N1383E1328-E1462 CarbonylContact O-C 3.6Å; E1328-E1462 VanDerWaalsContact O-CA 3.3Å; E1328-E1462 WeakPolarHBondContact O-CA 3.49Å; Q1329-E1462 HydrophobicContact CG-CG 3.5Å; Q1329-E1462 PolarHBondContact NE2-OE1 2.79Å; K1381-E1462 HydrophobicContact CB-CB 3.89Å; K1381-E1462 VanDerWaalsContact CD-OE2 3.28Å; K1381-E1462 WeakPolarHBondContact CD-OE2 3.45Å; K1381-E1462 WeakPolarHBondContact CE-OE2 3.5Å; K1381-E1462 HydrophobicContact CG-CB 4.38Å; K1381-E1462 PolarHBondContact N-O 3.49Å; K1381-E1462 IonicContact NZ-OE1 3.57Å; K1381-E1462 PolarHBondContact NZ-OE1 3.03Å; K1381-E1462 VanDerWaalsContact NZ-OE1 3.15Å; K1381-E1462 IonicContact NZ-OE2 2.92Å; K1381-E1462 PolarHBondContact NZ-OE2 2.7Å; K1381-E1462 PolarHBondContact O-N 3.5Å; N1383-E1462 PolarHBondContact ND2-OE1 2.82Å
1463V91Very high80.2Confident5 Ų538.1 Ų38.13%0.0322%0.218CC..EExtended strand (participates in β ladder)trans-84.4118.1176.2-1760000108.1P1325 E1328 M1330 I1357 Y1359 L1461P1325-V1463 HydrophobicContact CB-CB 4.2Å; P1325-V1463 HydrophobicContact CB-CG1 3.83Å; P1325-V1463 HydrophobicContact CG-CB 4Å; P1325-V1463 HydrophobicContact CG-CG1 3.88Å; P1325-V1463 WeakPolarHBondContact CG-O 3.48Å; E1328-V1463 PolarHBondContact O-N 3.16Å; M1330-V1463 HydrophobicContact CE-CG2 4.16Å; M1330-V1463 HydrophobicContact SD-CG2 4.45Å; I1357-V1463 HydrophobicContact CD1-CG2 4.1Å; I1357-V1463 HydrophobicContact CG2-CG1 4.02Å; I1357-V1463 HydrophobicContact CG2-CG2 4.17Å; Y1359-V1463 HydrophobicContact CE1-CG1 4.14Å; L1461-V1463 HydrophobicContact CD2-CG2 3.82Å; L1461-V1463 HydrophobicContact CG-CG2 3.85Å
1464G89.8Confident79.2Confident20 Ų2043.7 Ų43.721%0.20623%0.231CC..EExtended strand (participates in β ladder)trans-82.3161.6173.900000112.5Q1378 R1379Q1378-G1464 PolarHBondContact NE2-O 2.89Å; Q1378-G1464 VanDerWaalsContact NE2-O 3.1Å; R1379-G1464 WeakPolarHBondContact O-CA 3.32Å; R1379-G1464 PolarHBondContact O-N 3.33Å
1465T93Very high77.7Confident49 Ų4947.7 Ų47.730%0.30125%0.249SC..EExtended strand (participates in β ladder)trans-50.8138.7168.231.60000111.6V1323 S1324V1323-T1465 WeakPolarHBondContact O-CA 3.43Å; S1324-T1465 VanDerWaalsContact OG-CG2 3.32Å; S1324-T1465 WeakPolarHBondContact OG-CG2 3.04Å
1466I95Very high75.9Confident1 Ų145 Ų451%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-93.3124.416817365.8000107.9C1322 V1323 Y1359 A1376 Q1378 L1442 P1443 Y1468C1322-I1466 CarbonylContact C-O 3.44Å; C1322-I1466 VanDerWaalsContact CA-O 3.3Å; C1322-I1466 WeakPolarHBondContact CA-O 3.26Å; V1323-I1466 HydrophobicContact CB-CG2 4.01Å; V1323-I1466 PolarHBondContact N-O 2.81Å; V1323-I1466 WeakPolarHBondContact O-CG2 3.32Å; V1323-I1466 PolarHBondContact O-N 3.35Å; Y1359-I1466 HydrophobicContact CD1-CG2 3.84Å; Y1359-I1466 HydrophobicContact CE1-CG2 4.03Å; A1376-I1466 HydrophobicContact CB-CD1 4.39Å; Q1378-I1466 HydrophobicContact CB-CD1 3.77Å; Q1378-I1466 HydrophobicContact CG-CB 4.25Å; Q1378-I1466 HydrophobicContact CG-CD1 4.36Å; L1442-I1466 HydrophobicContact CB-CD1 3.69Å; L1442-I1466 HydrophobicContact CD1-CD1 3.81Å; L1442-I1466 HydrophobicContact CG-CD1 4.31Å; P1443-I1466 HydrophobicContact CB-CB 4.22Å; P1443-I1466 HydrophobicContact CB-CG1 4.18Å; P1443-I1466 HydrophobicContact CB-CG2 4.17Å; I1466-Y1468 HydrophobicContact CB-CE2 4.38Å; I1466-Y1468 HydrophobicContact CD1-CE1 4.46Å; I1466-Y1468 HydrophobicContact CD1-CE2 4.43Å; I1466-Y1468 HydrophobicContact CG1-CD2 4.11Å; I1466-Y1468 HydrophobicContact CG1-CE1 4.21Å; I1466-Y1468 HydrophobicContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CZ 3.44Å; I1466-Y1468 WeakPolarHBondContact CG1-OH 3.28Å; I1466-Y1468 HydrophobicContact CG2-CE2 4.09Å
1467C95.8Very high73.3Confident6 Ų645.6 Ų45.64%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-110.9130179.3-63.80000110.3E1320 T1321 C1322 A1376 I1377E1320-C1467 HydrophobicContact CB-CB 4.2Å; T1321-C1467 WeakPolarHBondContact O-CA 3.19Å; C1322-C1467 HydrophobicContact CB-CB 4.14Å; C1322-C1467 WeakPolarHBondContact CB-SG 3.4Å; C1322-C1467 WeakPolarHBondContact SG-CB 3.28Å; C1322-C1467 CovalentContact SG-SG 2.05Å; C1322-C1467 PolarHBondContact SG-SG 3.17Å; A1376-C1467 WeakPolarHBondContact CA-O 3.1Å; I1377-C1467 PolarHBondContact N-O 2.89Å; I1377-C1467 PolarHBondContact O-N 3.12Å
1468Y95.7Very high70.6Confident2 Ų252.9 Ų52.91%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-112.2137.5179.7-68.3-78.2000110.5E1320 T1321 L1366 L1369 Q1370 A1376 P1439 L1442 P1443 I1466E1320-Y1468 CarbonylContact C-O 2.86Å; E1320-Y1468 WeakPolarHBondContact CA-O 3.44Å; T1321-Y1468 PolarHBondContact N-O 3Å; T1321-Y1468 PolarHBondContact O-N 3.36Å; L1366-Y1468 HydrophobicContact CD1-CE2 4.03Å; L1366-Y1468 WeakPolarHBondContact CD1-OH 3.48Å; L1369-Y1468 HydrophobicContact CD2-CD2 3.48Å; L1369-Y1468 VanDerWaalsContact CD2-CD2 3.48Å; L1369-Y1468 HydrophobicContact CD2-CE2 4.08Å; L1369-Y1468 HydrophobicContact CD2-CG 4.06Å; L1369-Y1468 HydrophobicContact CG-CD2 3.88Å; L1369-Y1468 HydrophobicContact CG-CG 3.94Å; Q1370-Y1468 HydrophobicContact CG-CE1 3.93Å; A1376-Y1468 HydrophobicContact CB-CD1 3.79Å; A1376-Y1468 HydrophobicContact CB-CE1 3.81Å; P1439-Y1468 HydrophobicContact CB-CD1 4.15Å; P1439-Y1468 HydrophobicContact CB-CE1 4.23Å; L1442-Y1468 PolarHBondContact O-OH 3.41Å; L1442-Y1468 VanDerWaalsContact O-OH 3.05Å; P1443-Y1468 WeakPolarHBondContact CD-OH 3.27Å; I1466-Y1468 HydrophobicContact CB-CE2 4.38Å; I1466-Y1468 HydrophobicContact CD1-CE1 4.46Å; I1466-Y1468 HydrophobicContact CD1-CE2 4.43Å; I1466-Y1468 HydrophobicContact CG1-CD2 4.11Å; I1466-Y1468 HydrophobicContact CG1-CE1 4.21Å; I1466-Y1468 HydrophobicContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CE2 3.4Å; I1466-Y1468 VanDerWaalsContact CG1-CZ 3.44Å; I1466-Y1468 WeakPolarHBondContact CG1-OH 3.28Å; I1466-Y1468 HydrophobicContact CG2-CE2 4.09Å
1469G86.5Confident67.9Low12 Ų1255.6 Ų55.612%0.12430%0.3CS..EExtended strand (participates in β ladder)trans94.8-161.3-174.500000113V1375V1375-G1469 PolarHBondContact O-N 3.29Å
1470G66.5Low65Low14 Ų1460.5 Ų60.514%0.14433%0.327CS..  trans78.3152.3-165.600000114.3G1318 L1319G1318-G1470 WeakPolarHBondContact O-CA 3.29Å; L1319-G1470 PolarHBondContact O-N 3.26Å
1471M54Low62.3Low78 Ų7864.4 Ų64.438%0.38434%0.344SS..  trans-88.4148.3173.9-68.6171.4170.200110.2
1472D51Low59.7Low32 Ų3270.8 Ų70.817%0.17138%0.378CS..  trans-53.2135.6174-100.2-50.2000111.8K1437 E1474 Q1475K1437-D1472 WeakPolarHBondContact CE-OD2 3.32Å; K1437-D1472 IonicContact NZ-OD1 3.26Å; K1437-D1472 IonicContact NZ-OD2 2.67Å; K1437-D1472 PolarHBondContact NZ-OD2 3.44Å; D1472-E1474 PolarHBondContact O-N 3.33Å; D1472-E1474 VanDerWaalsContact O-N 3.08Å; D1472-Q1475 HydrophobicContact CB-CG 4.15Å; D1472-Q1475 WeakPolarHBondContact O-CB 3.28Å; D1472-Q1475 PolarHBondContact O-N 3.17Å
1473P43Very low56.7Low83 Ų8372.9 Ų72.954%0.53939%0.391SS..G310 helixtrans-57.7-22.9172.4-26.835.8000114.1Q1475 F1476P1473-Q1475 VanDerWaalsContact C-N 3.28Å; P1473-Q1475 PolarHBondContact O-N 3.04Å; P1473-F1476 WeakPolarHBondContact O-CB 3.43Å; P1473-F1476 PolarHBondContact O-N 2.65Å
1474E44.5Very low53.7Low163 Ų16379.3 Ų79.376%0.76243%0.425SS*.G310 helixtrans-70.1-22.1173.1-61.9-167128.400113.3D1472 F1476D1472-E1474 PolarHBondContact O-N 3.33Å; D1472-E1474 VanDerWaalsContact O-N 3.08Å; E1474-F1476 VanDerWaalsContact C-N 3.34Å
1475Q39Very low50.9Low117 Ų11785.4 Ų85.455%0.54745%0.453SS..G310 helixtrans-84.6-6173.4-61.2-172.918.800113.1D1472 P1473 N1477D1472-Q1475 HydrophobicContact CB-CG 4.15Å; D1472-Q1475 WeakPolarHBondContact O-CB 3.28Å; D1472-Q1475 PolarHBondContact O-N 3.17Å; P1473-Q1475 VanDerWaalsContact C-N 3.28Å; P1473-Q1475 PolarHBondContact O-N 3.04Å; Q1475-N1477 PolarHBondContact O-N 3.16Å
1476F33.1Very low47.8Very low132 Ų13287.3 Ų87.358%0.57946%0.461SS*.  trans-75.239.4-178.4-112.9-91.8000114.5P1473 E1474 I1478 I1481P1473-F1476 WeakPolarHBondContact O-CB 3.43Å; P1473-F1476 PolarHBondContact O-N 2.65Å; E1474-F1476 VanDerWaalsContact C-N 3.34Å; F1476-I1478 PolarHBondContact O-N 3.01Å; F1476-I1481 HydrophobicContact CE1-CD1 4.2Å; F1476-I1481 HydrophobicContact CE2-CD1 4.41Å; F1476-I1481 HydrophobicContact CZ-CD1 3.56Å
1477N27.3Very low44.6Very low137 Ų13794.9 Ų94.973%0.73350%0.502SS*.SBendtrans-93.863.9166.6-98.1-53.9000111.6Q1475Q1475-N1477 PolarHBondContact O-N 3.16Å
1478I30.5Very low41.6Very low157 Ų157103.7 Ų103.781%0.80554%0.542SS*.SBendtrans52.869.7154-39.6175.8000115.9F1476F1476-I1478 PolarHBondContact O-N 3.01Å
1479T29.5Very low38.4Very low82 Ų82108.6 Ų108.650%0.50358%0.577SS.*  trans-144.4-46.715730.90000115.1I1481 N1483T1479-I1481 PolarHBondContact O-N 3.23Å; T1479-N1483 PolarHBondContact O-ND2 3.26Å; T1479-N1483 VanDerWaalsContact O-ND2 3.07Å
1480D28.1Very low35.7Very low107 Ų107114.3 Ų114.357%0.57261%0.605SS**THydrogen-bonded Turntrans-104.220.2-149.5-59.7-62.9000118.1
1481I34.3Very low33.8Very low108 Ų108120.1 Ų120.155%0.55463%0.632SS**THydrogen-bonded Turntrans-108-19.2166.4-67.2-176.1000112.8F1476 T1479F1476-I1481 HydrophobicContact CE1-CD1 4.2Å; F1476-I1481 HydrophobicContact CE2-CD1 4.41Å; F1476-I1481 HydrophobicContact CZ-CD1 3.56Å; T1479-I1481 PolarHBondContact O-N 3.23Å
1482D33.9Very low32.7Very low135 Ų135124.3 Ų124.372%0.72265%0.654SS**SBendtrans-97.4-0.2175.4-86.3-48000114
1483N29.8Very low31.7Very low90 Ų90129 Ų12948%0.48168%0.68SS.*THydrogen-bonded Turntrans-96.30.7-170.6-90.5-28.9000116.7T1479T1479-N1483 PolarHBondContact O-ND2 3.26Å; T1479-N1483 VanDerWaalsContact O-ND2 3.07Å
1484N27.9Very low30.8Very low141 Ų141134.3 Ų134.375%0.75469%0.694SS**THydrogen-bonded Turntrans-93.50.2167.2-108.5-6.5000114
1485N30.6Very low29.9Very low148 Ų148134.9 Ų134.979%0.79170%0.697SS**SBendtrans-107.526.9171.7-102.4-34.3000112.8
1486N29.1Very low29.5Very low88 Ų88137 Ų13747%0.47171%0.712SS.*SBendtrans-143.146.2179.6-98.5-59.3000115N1490N1486-N1490 PolarHBondContact OD1-ND2 3.26Å
1487N27.5Very low29.1Very low161 Ų161135.7 Ų135.786%0.86172%0.719SS**  trans-142.733.5154.7-103.9-40.2000115.1
1488H31.5Very low29.1Very low191 Ų191133.9 Ų133.988%0.88472%0.717SS**SBendtrans-100.481.7150.9-123.646.3000109.7
1489S28.6Very low29Very low104 Ų104131.2 Ų131.273%0.72770%0.704SS**  trans37.879.9158.5-62.50000117.6N1491S1489-N1491 VanDerWaalsContact C-N 3.35Å; S1489-N1491 PolarHBondContact O-N 2.95Å
1490N29.5Very low29.1Very low133 Ų133134.3 Ų134.371%0.71171%0.713SS**  trans-64.192.6159.7-101-58.4000110.7N1486N1486-N1490 PolarHBondContact OD1-ND2 3.26Å
1491N27.4Very low29.1Very low136 Ų136132.4 Ų132.473%0.72770%0.703SS**  trans-161.566.7144.7-113.2-14000114.5S1489S1489-N1491 VanDerWaalsContact C-N 3.35Å; S1489-N1491 PolarHBondContact O-N 2.95Å
1492I30Very low29Very low165 Ų165132.6 Ų132.685%0.84670%0.704SS**SBendtrans-123.791.5133-58.1-176.6000107.8
1493N30.5Very low28.7Very low131 Ų131133.5 Ų133.570%0.70170%0.698SS**  trans32.2113.4142.7-65.41.8000119
1494K24.5Very low28.6Very low194 Ų194134.7 Ų134.784%0.84370%0.704SS**  trans-56154130.6-53.4175.6180176.20108
1495E26.4Very low28.9Very low175 Ų175133.4 Ų133.482%0.81870%0.704SS**  cis-127.4163.422.2-59.8169137.700108.4
1496D29.1Very low28.6Very low163 Ų163131.8 Ų131.887%0.87270%0.699SS**  -145.1143.570.5-133.1-29.8000113.8
1497S25.1Very low28.6Very low104 Ų104136.1 Ų136.173%0.72772%0.717SS**  trans-137104.6173.163.50000110.9
1498S28.3Very low28.7Very low99 Ų99136.7 Ų136.769%0.69271%0.714SS**  trans-170.3131.1141.545.60000115.1
1499N28.3Very low28.3Very low100 Ų100136.5 Ų136.554%0.53571%0.71SS.*  trans44.9113.3136.8-53.8-15.9000120.7
1500H31.4Very low28.4Very low147 Ų147137.1 Ų137.168%0.68171%0.714SS**  -159.7158.9106.6-111.375.9000114
1501N27.8Very low28.2Very low67 Ų67137.4 Ų137.436%0.35872%0.716SS.*  trans173.1165.7-166.6-109.3-23.2000112.1G1042 P1043 T1044G1042-N1501 VanDerWaalsContact C-CB 3.41Å; G1042-N1501 VanDerWaalsContact CA-CG 3.42Å; G1042-N1501 WeakPolarHBondContact CA-OD1 3.44Å; G1042-N1501 PolarHBondContact N-OD1 3.12Å; G1042-N1501 CarbonylContact O-C 3.29Å; G1042-N1501 WeakPolarHBondContact O-CB 3.23Å; P1043-N1501 WeakPolarHBondContact O-CB 3.44Å; T1044-N1501 WeakPolarHBondContact CA-O 3.47Å; T1044-N1501 WeakPolarHBondContact CB-O 3.43Å; T1044-N1501 PolarHBondContact OG1-O 2.87Å
1502I30.8Very low28.2Very low112 Ų112138.6 Ų138.657%0.57472%0.721SS**  trans-166.594.3162.4-175.6159.8000117V1041 G1042V1041-I1502 HydrophobicContact CG1-CG2 4Å; V1041-I1502 CarbonylContact O-C 3.45Å; G1042-I1502 CarbonylContact O-C 3.51Å; G1042-I1502 VanDerWaalsContact O-C 3.24Å; G1042-I1502 WeakPolarHBondContact O-CA 3.33Å; G1042-I1502 PolarHBondContact O-N 2.9Å
1503Y28.8Very low28Very low155 Ų155136.8 Ų136.861%0.60871%0.709SS**  trans53.9130.6160.4-77.7-114.4000121.1V1041 G1042V1041-Y1503 CarbonylContact O-C 2.73Å; V1041-Y1503 WeakPolarHBondContact O-CA 2.95Å; V1041-Y1503 PolarHBondContact O-N 3.32Å; V1041-Y1503 VanDerWaalsContact O-O 3.09Å; G1042-Y1503 PolarHBondContact O-N 3.32Å
1504D27.9Very low27.8Very low114 Ų114136.4 Ų136.461%0.6171%0.711SS**  79.1146.265.2-129.9-11000113V1041 V1506V1041-D1504 PolarHBondContact O-N 2.96Å; D1504-V1506 PolarHBondContact OD1-N 3.5Å; D1504-V1506 VanDerWaalsContact OD1-N 3.17Å
1505P33.2Very low27.9Very low114 Ų114133.4 Ų133.474%0.7470%0.698SS**  -146.2143.463.938.9-18.9000118.8
1506V25.8Very low27.8Very low115 Ų115133.6 Ų133.670%0.69770%0.696SS**  55.9112.8129.3-176.60000120D1504D1504-V1506 PolarHBondContact OD1-N 3.5Å; D1504-V1506 VanDerWaalsContact OD1-N 3.17Å
1507E28.2Very low27.7Very low179 Ų179134 Ų13484%0.83669%0.69SS**  -145.2164.3111.3-128.6177.1-166.300111.8
1508H29.5Very low27.6Very low172 Ų172135.3 Ų135.380%0.79669%0.689SS**  trans-41.1126-153.7-78-81.9000120.7
1509K24.2Very low27.5Very low187 Ų187139.6 Ų139.681%0.81370%0.696SS**  trans-73.8139.9136.5-66.7179.6179179.70109.4
1510S29.9Very low27.4Very low117 Ų117140.9 Ų140.982%0.81870%0.703SS**  trans-105.9145.9146.453.30000108.4
1511N25.3Very low27.1Very low139 Ų139140.4 Ų140.474%0.74371%0.71SS**  trans-87.5129.1-178.9-61.9-48.8000109.7E1513N1511-E1513 VanDerWaalsContact C-N 3.31Å; N1511-E1513 PolarHBondContact O-N 3.42Å; N1511-E1513 VanDerWaalsContact O-N 3.09Å
1512I27.4Very low27.2Very low162 Ų162145.6 Ų145.683%0.83173%0.734SS**  trans-72.996.3152.1-62.7177.3000105.9V1514I1512-V1514 PolarHBondContact O-N 3.12Å
1513E26.3Very low26.9Very low127 Ų127146.4 Ų146.459%0.59374%0.739SS**  trans-63.9104.6166.3-83.7-169.2106.900108.8N1511 K1515N1511-E1513 VanDerWaalsContact C-N 3.31Å; N1511-E1513 PolarHBondContact O-N 3.42Å; N1511-E1513 VanDerWaalsContact O-N 3.09Å; E1513-K1515 HydrophobicContact CB-CD 4.42Å; E1513-K1515 HydrophobicContact CB-CG 4.26Å; E1513-K1515 PolarHBondContact O-N 2.85Å; E1513-K1515 VanDerWaalsContact OE1-CE 3.25Å; E1513-K1515 WeakPolarHBondContact OE1-CE 3.23Å; E1513-K1515 IonicContact OE1-NZ 3.58Å; E1513-K1515 PolarHBondContact OE1-NZ 3.38Å; E1513-K1515 VanDerWaalsContact OE2-CE 3.23Å; E1513-K1515 WeakPolarHBondContact OE2-CE 3.42Å; E1513-K1515 IonicContact OE2-NZ 2.63Å; E1513-K1515 PolarHBondContact OE2-NZ 3.28Å
1514V26Very low27Very low123 Ų123146.2 Ų146.275%0.74575%0.749SS**  trans-70.475.8158.3-175.80000107.5I1512 K1516I1512-V1514 PolarHBondContact O-N 3.12Å; V1514-K1516 VanDerWaalsContact C-N 3.25Å; V1514-K1516 PolarHBondContact O-N 2.61Å
1515K27Very low27Very low131 Ų131146.9 Ų146.957%0.5775%0.752SS**  trans-67.287173.8-104.1165.9174.6150.80108.5E1513 F1517E1513-K1515 HydrophobicContact CB-CD 4.42Å; E1513-K1515 HydrophobicContact CB-CG 4.26Å; E1513-K1515 PolarHBondContact O-N 2.85Å; E1513-K1515 VanDerWaalsContact OE1-CE 3.25Å; E1513-K1515 WeakPolarHBondContact OE1-CE 3.23Å; E1513-K1515 IonicContact OE1-NZ 3.58Å; E1513-K1515 PolarHBondContact OE1-NZ 3.38Å; E1513-K1515 VanDerWaalsContact OE2-CE 3.23Å; E1513-K1515 WeakPolarHBondContact OE2-CE 3.42Å; E1513-K1515 IonicContact OE2-NZ 2.63Å; E1513-K1515 PolarHBondContact OE2-NZ 3.28Å; K1515-F1517 VanDerWaalsContact C-N 3.31Å; K1515-F1517 PolarHBondContact O-N 3.05Å
1516K24.6Very low27.1Very low179 Ų179148.7 Ų148.778%0.77876%0.756SS**  trans-57.793.9167.8-74.7-172173-173.30109.3V1514 N1518V1514-K1516 VanDerWaalsContact C-N 3.25Å; V1514-K1516 PolarHBondContact O-N 2.61Å; K1516-N1518 PolarHBondContact O-N 3.38Å
1517F24.9Very low27.4Very low171 Ų171149.9 Ų149.975%0.7576%0.759SS**  trans-69.987.3162.3-88.6-83000108.8K1515 F1519K1515-F1517 VanDerWaalsContact C-N 3.31Å; K1515-F1517 PolarHBondContact O-N 3.05Å; F1517-F1519 VanDerWaalsContact C-N 3.34Å; F1517-F1519 PolarHBondContact O-N 3.31Å
1518N23.8Very low27.7Very low132 Ų132148.5 Ų148.571%0.70676%0.757SS**  trans-59.299.8161-86.3-12.2000108K1516 N1520K1516-N1518 PolarHBondContact O-N 3.38Å; N1518-N1520 PolarHBondContact O-N 2.8Å
1519F25.8Very low27.8Very low189 Ų189146.8 Ų146.883%0.82975%0.753SS**  trans-68.577.3160.9-94.2-81000109.2F1517 V1521F1517-F1519 VanDerWaalsContact C-N 3.34Å; F1517-F1519 PolarHBondContact O-N 3.31Å; F1519-V1521 PolarHBondContact O-N 3.13Å; F1519-V1521 VanDerWaalsContact O-N 3.12Å
1520N27.1Very low28Very low127 Ų127144.7 Ų144.768%0.67975%0.751SS**  trans-60.1112.9161.6-97-20.8000107.5N1518 M1522N1518-N1520 PolarHBondContact O-N 2.8Å; N1520-M1522 PolarHBondContact O-N 3.39Å
1521V25.3Very low27.9Very low136 Ų136146.2 Ų146.282%0.82475%0.75SS**  trans-70.877.4174.2-176.50000109.1F1519 N1523F1519-V1521 PolarHBondContact O-N 3.13Å; F1519-V1521 VanDerWaalsContact O-N 3.12Å; V1521-N1523 HydrophobicContact CG1-CB 4.49Å; V1521-N1523 PolarHBondContact O-N 3.3Å
1522M28.6Very low27.9Very low176 Ų176146.9 Ų146.987%0.86775%0.754SS**  trans-72.575.1165.7-83.9-72.4-162.800108.7N1520 N1524N1520-M1522 PolarHBondContact O-N 3.39Å; M1522-N1524 PolarHBondContact O-N 3.49Å; M1522-N1524 VanDerWaalsContact O-N 3.09Å
1523N24.8Very low28Very low129 Ų129146.9 Ų146.969%0.6975%0.754SS**  trans-60.4108.6173.2178.411000109.8V1521V1521-N1523 HydrophobicContact CG1-CB 4.49Å; V1521-N1523 PolarHBondContact O-N 3.3Å
1524N31.2Very low28.1Very low152 Ų152151.7 Ų151.781%0.81377%0.766SS**  trans-149.2131.3166.8-131.2-17.7000111.9M1522M1522-N1524 PolarHBondContact O-N 3.49Å; M1522-N1524 VanDerWaalsContact O-N 3.09Å
1525N29.3Very low28Very low127 Ų127152 Ų15268%0.67976%0.763SS**  trans-80.3143.6-174.6-57.2-89.3000111.1
1526N34.3Very low28.1Very low153 Ų153152.3 Ų152.382%0.81878%0.776SS**  -172.1152.6114.1-96-41.2000113.4
1527N32.5Very low28.1Very low140 Ų140148.8 Ų148.875%0.74977%0.773SS**  trans-62.3156.4171.3-45.3-59.5000109.8
1528N33.9Very low28.2Very low149 Ų149149.3 Ų149.380%0.79778%0.778SS**  -168.4173.455-127.9-23.3000113.8
1529N31Very low28.4Very low136 Ų136148.2 Ų148.273%0.72778%0.779SS**  trans-59.2154.9-172.7-61.3-23.1000117.2
1530N29.5Very low28.5Very low143 Ų143153 Ų15377%0.76580%0.8SS**  trans57104.6151.8-61.42000118.6
1531N28Very low28.5Very low150 Ų150154.3 Ų154.380%0.80281%0.806SS**  -170.3163.9112.9-101.4-45.6000113.5I1533N1531-I1533 PolarHBondContact O-N 2.75Å
1532N25.6Very low28.7Very low152 Ų152155.3 Ų155.381%0.81381%0.805SS**  trans-36.2126.9172.6-56.2-45.2000114.6
1533I29.8Very low28.7Very low162 Ų162154.1 Ų154.183%0.83180%0.801SS**  trans-121110.8152.6-63.9-177.3000107.7N1531N1531-I1533 PolarHBondContact O-N 2.75Å
1534R27.5Very low28.9Very low228 Ų228155.6 Ų155.686%0.8681%0.808SS**  trans-71.4142.6162.9-80.1177.7166.2177.3-6.4108.7
1535L24.5Very low28.8Very low131 Ų131155.8 Ų155.869%0.68681%0.807SS**  trans-1.3120.3154.4-61.3167.7000116
1536V28.8Very low28.8Very low137 Ų137157.7 Ų157.783%0.8382%0.816SS**  trans-115.8110.1137.7-179.80000106.4
1537S24.9Very low28.4Very low104 Ų104158.1 Ų158.173%0.72782%0.816SS**  trans-84.4125.5170.150.50000109.6
1538E26.3Very low28Very low182 Ų182159.5 Ų159.585%0.8582%0.821SS**  trans-144.2133.3155.8-117.4170.8-148.200108.3
1539P27.8Very low27.6Very low110 Ų110160.3 Ų160.371%0.71482%0.823SS**  trans-92145-168.735.2-34.8000113.3
1540F27.2Very low27.3Very low289 Ų289162.5 Ų162.5100%1.26883%0.832SS**  trans-152.80162-97.9-72000110.5

Retrieved 1,540 of 1,540 residues in 1142.5 ms (Link to these results)