A0A093HPC2_STRCA Loading...

T-box transcription factor TBX5

AlphaFold DB , UniProt , Accession A0A093HPC2, Species STRCA (Struthio camelus australis), Gene n/a, Length 516 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.2Very low38.1Very low246 Ų246143.5 Ų143.5100%1.21282%0.817SS**  0162.10-75.6165.8161.400107.9
2A38.5Very low37.4Very low86 Ų86142.8 Ų142.871%0.71182%0.819SS**  trans-72.6-177.1159.500000109.1
3D42.7Very low36.9Very low140 Ų140142.2 Ų142.275%0.74982%0.82SS**  cis-158.9173.610-145.5-43.7000109.2
4T44.8Very low37.6Very low118 Ų118140.3 Ų140.372%0.72481%0.814SS**  trans176105.6139.734.70000113.7
5E46.3Very low37.2Very low171 Ų171137 Ų13780%0.79981%0.81SS**  trans38.6125.5132.730.5-169.4128.300124
6E38.4Very low36.7Very low195 Ų195138.1 Ų138.191%0.91181%0.811SS**  -174148.5108.4-95.4-148.5124.700113.6
7G32.4Very low36.6Very low71 Ų71135.8 Ų135.873%0.73280%0.804SS**  trans85.8103.1149.900000122.4
8F33Very low36.2Very low217 Ų217138.1 Ų138.195%0.95281%0.806SS**  trans-148.2150.9163.3-93.2-99.9000110
9G31Very low35.9Very low64 Ų64135.7 Ų135.766%0.6680%0.798SS**  cis164.5162.4-10.100000114
10L32.5Very low35.6Very low167 Ų167138.3 Ų138.387%0.87480%0.798SS**  trans66.9168.5162.7-64.5176.6000118.6
11P50.5Low35.7Very low103 Ų103139 Ų13967%0.66979%0.794SS**  cis-133.3-175.13.834.2-12.1000117.7
12T29.6Very low35.8Very low136 Ų136135.6 Ų135.683%0.83478%0.78SS**  trans100.3148.4157.668.20000121.5
13T31.2Very low35.5Very low135 Ų135140.1 Ų140.183%0.82879%0.787SS**  trans-130.5-172.8-173.450.60000108.3
14P46.3Very low34.9Very low115 Ų115138.3 Ų138.375%0.74779%0.791SS**  cis-139.8-172.24.845.4-27.1000116.7
15A31.5Very low34.3Very low91 Ų91141.1 Ų141.175%0.75280%0.796SS**  trans64.6157.6158.900000117.6
16D29.2Very low33.5Very low154 Ų154139.5 Ų139.582%0.82480%0.798SS**  cis-147-163.219.7-148-31.1000113
17S35.6Very low33.2Very low100 Ų100138.5 Ų138.570%0.69979%0.791SS**  trans-105.2147.3-168.9-44.80000114
18E29.8Very low33.1Very low177 Ų177143.6 Ų143.683%0.82780%0.796SS**  167.6144.1122.7-96.5-146.760.700116.5
19S29.6Very low32.8Very low93 Ų93141.1 Ų141.165%0.6579%0.792SS**  trans47.5121.1136.6-62.10000125.1
20K31.1Very low32.9Very low187 Ų187143.6 Ų143.681%0.81379%0.794SS**  111.1151.6120.6-106-176.4174179.90122.1
21E36.7Very low32.9Very low152 Ų152144.7 Ų144.771%0.7180%0.795SS**  trans-61155.7-173.4-54148.189.800114.9
22L31Very low32.2Very low175 Ų175148 Ų14892%0.91681%0.807SS**  trans-154.8153131.8-112171.1000111.5
23Q33Very low32.1Very low182 Ų182144.3 Ų144.385%0.8580%0.795SS**  trans-96.9157.9178.1-63.2174.6-5.200111
24A30.3Very low32.4Very low102 Ų102142.8 Ų142.884%0.84380%0.796SS**  trans-144.7119.5161.100000110.6
25E31.4Very low31.8Very low176 Ų176143.1 Ų143.182%0.82280%0.797SS**  trans-78.2147.3166.6-75.1-173.478.300111.2
26T30.1Very low32.5Very low138 Ų138141.9 Ų141.985%0.84778%0.782SS**  trans-135.1125.5148.5-54.50000109.1Q28T26-Q28 PolarHBondContact O-N 3.43Å
27K31.5Very low33.7Very low173 Ų173141.3 Ų141.375%0.75277%0.772SS**  trans-57.1131.2174.9-75.5173.9177.8172.70110.4
28Q29.9Very low34.9Very low179 Ų179141.3 Ų141.384%0.83677%0.772SS**  47101.186.6-77-168.3-2.600113.6T26T26-Q28 PolarHBondContact O-N 3.43Å
29D28Very low36.8Very low164 Ų164133.8 Ų133.888%0.87774%0.739SS**  trans-110.5150.7149.3-162.4-9000108.2
30T32.5Very low38.1Very low116 Ų116136.6 Ų136.671%0.71275%0.752SS**  trans-103.6105.9-165-59.80000111.9
31Q31.4Very low39.8Very low191 Ų191131.2 Ų131.289%0.89374%0.738SS**  trans-114.4125.3167.4-162.8168.691.100110.7G33Q31-G33 PolarHBondContact O-N 3.48Å
32L36.7Very low41.3Very low173 Ų173129.3 Ų129.391%0.90674%0.739SS**  trans-75.269-174.4-73.3166.7000112.5A34L32-A34 PolarHBondContact O-N 3.01Å
33G27.8Very low43.3Very low58 Ų58125 Ų12560%0.59872%0.715SS**  trans-70.2116.916700000110.8Q31 T35Q31-G33 PolarHBondContact O-N 3.48Å; G33-T35 VanDerWaalsContact C-N 3.34Å; G33-T35 PolarHBondContact O-N 3.48Å
34A36.9Very low45.4Very low103 Ų103119.2 Ų119.285%0.85170%0.697SS**  trans-69.390.8170.900000109.7L32 S36L32-A34 PolarHBondContact O-N 3.01Å; A34-S36 PolarHBondContact O-N 3.28Å
35T34.3Very low47.6Very low122 Ų122117.2 Ų117.275%0.74868%0.681SS**  trans-68.192.9179.453.10000110.3G33 K37G33-T35 VanDerWaalsContact C-N 3.34Å; G33-T35 PolarHBondContact O-N 3.48Å; T35-K37 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact O-N 3.07Å
36S45.6Very low49.9Very low65 Ų65114.5 Ų114.546%0.45567%0.667SS.*  trans-57110.9173.842.40000109.5A34 S38A34-S36 PolarHBondContact O-N 3.28Å; S36-S38 PolarHBondContact O-N 3.36Å
37K55.3Low52.3Low141 Ų141110.4 Ų110.461%0.61364%0.642SS**PPolyproline II helixtrans-63122.9-168.6-68.1172.7-169.3122.90110.2T35 E69T35-K37 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact O-N 3.07Å; K37-E69 IonicContact NZ-OE1 3.33Å; K37-E69 PolarHBondContact NZ-OE1 2.83Å
38S59.3Low54.5Low100 Ų100105.5 Ų105.570%0.69962%0.621SS**PPolyproline II helixtrans-60141.6170.543.20000109.8S36 T40S36-S38 PolarHBondContact O-N 3.36Å; S38-T40 PolarHBondContact O-N 2.96Å
39P69.9Low56.4Low19 Ų19105.3 Ų105.312%0.12362%0.62CS.*PPolyproline II helixtrans-61.7137.2176.926-34.4000110S41 P202 E203P39-S41 PolarHBondContact O-N 3.12Å; P39-S41 VanDerWaalsContact O-N 3.13Å; P39-P202 HydrophobicContact CB-CB 3.96Å; P39-P202 HydrophobicContact CG-CB 4.2Å; P39-E203 HydrophobicContact CG-CB 4.43Å
40T58.1Low58.5Low152 Ų15299.5 Ų99.593%0.93360%0.599SS**SBendtrans-63.9-18.6-177.5-32.30000113.3S38S38-T40 PolarHBondContact O-N 2.96Å
41S67Low60.9Low74 Ų7494.1 Ų94.152%0.51757%0.566SS.*SBendtrans-92.2133172.6-55.70000110.6P39P39-S41 PolarHBondContact O-N 3.12Å; P39-S41 VanDerWaalsContact O-N 3.13Å
42P67.8Low63.1Low113 Ų11391.6 Ų91.673%0.73455%0.554SS**  trans-66.1156.9172.728.9-34.9000111.6A44 P202P42-A44 PolarHBondContact O-N 3.02Å; P42-P202 WeakPolarHBondContact O-CG 3.45Å
43Q73.1Confident65.4Low85 Ų8585.9 Ų85.940%0.39754%0.537SS..  trans-6897.1173.3-74.9-179.1-10.800110.2A45 F201 E203Q43-A45 PolarHBondContact O-N 2.87Å; Q43-F201 HydrophobicContact CG-CD1 4.23Å; Q43-E203 PolarHBondContact NE2-OE1 2.92Å
44A75.6Confident68.4Low59 Ų5983.7 Ų83.749%0.48851%0.511SS..  trans-70.4124.8178.300000110.7P42 V200P42-A44 PolarHBondContact O-N 3.02Å; A44-V200 HydrophobicContact CB-CB 4.32Å; A44-V200 HydrophobicContact CB-CG2 4.44Å; A44-V200 WeakPolarHBondContact O-CB 3.43Å; A44-V200 WeakPolarHBondContact O-CG2 3.49Å; A44-V200 PolarHBondContact O-N 3.42Å
45A76.8Confident71Confident60 Ų6084.9 Ų84.950%0.49650%0.497SS..EExtended strand (participates in β ladder)trans-122.9128.7167.800000109.2Q43 T198Q43-A45 PolarHBondContact O-N 2.87Å; A45-T198 CarbonylContact C-O 3.48Å; A45-T198 VanDerWaalsContact CA-O 3.31Å; A45-T198 WeakPolarHBondContact CA-O 3.41Å
46F80.8Confident73.8Confident120 Ų12079.7 Ų79.753%0.52647%0.466SS..EExtended strand (participates in β ladder)trans-105.6120.9167.2176.6-91.9000108Q48 F196 C197 T198F46-Q48 HydrophobicContact CE1-CG 3.99Å; F46-Q48 HydrophobicContact CZ-CG 4.44Å; F46-F196 HydrophobicContact CD1-CD2 4.39Å; F46-F196 AromaticContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CE1-CD2 4.39Å; F46-F196 AromaticContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CZ 4.12Å; F46-C197 CarbonylContact O-C 3.6Å; F46-C197 WeakPolarHBondContact O-CA 3.46Å; F46-C197 WeakPolarHBondContact O-CB 3.34Å; F46-T198 PolarHBondContact N-O 2.97Å; F46-T198 PolarHBondContact O-N 2.99Å
47T80.8Confident76.1Confident52 Ų5281.7 Ų81.732%0.31947%0.466SS..EExtended strand (participates in β ladder)trans-132.1120.8-171.5-58.20000109.2M51 E52 C197T47-M51 HydrophobicContact CG2-CB 3.71Å; T47-E52 HydrophobicContact CG2-CG 4.47Å; T47-C197 HydrophobicContact CG2-CB 4.13Å
48Q76.5Confident78.1Confident70 Ų7075.7 Ų75.733%0.32744%0.441SS..  trans-75.1158.7171-73.8-167.755.500112.1F46 M51 A195 F196F46-Q48 HydrophobicContact CE1-CG 3.99Å; F46-Q48 HydrophobicContact CZ-CG 4.44Å; Q48-M51 WeakPolarHBondContact O-CB 3.43Å; Q48-M51 PolarHBondContact O-N 3.45Å; Q48-M51 VanDerWaalsContact O-N 3.15Å; Q48-A195 HydrophobicContact CB-CB 4.1Å; Q48-F196 WeakPolarHBondContact CB-O 3.45Å; Q48-F196 WeakPolarHBondContact CG-O 3.37Å; Q48-F196 PolarHBondContact N-O 3.05Å
49Q70.8Confident79.8Confident175 Ų17575.5 Ų75.582%0.81843%0.429SS*.THydrogen-bonded Turntrans-53.4137.6179.1-163.2173.514.500111.6M51 E52Q49-M51 VanDerWaalsContact C-N 3.32Å; Q49-E52 WeakPolarHBondContact CA-OE1 3.44Å
50G72.1Confident81Confident42 Ų4277.8 Ų77.843%0.43344%0.438SS..THydrogen-bonded Turntrans76.416.8-176.900000114.7E52 K182G50-E52 PolarHBondContact N-OE1 3.06Å; G50-K182 PolarHBondContact O-NZ 2.87Å
51M82.1Confident82.8Confident2 Ų275.7 Ų75.71%0.0141%0.413CS..  trans-121.52.6165.9-66.1-169.971.600113.5T47 Q48 Q49 G53 I54 I180 K182 A195 F196 C197T47-M51 HydrophobicContact CG2-CB 3.71Å; Q48-M51 WeakPolarHBondContact O-CB 3.43Å; Q48-M51 PolarHBondContact O-N 3.45Å; Q48-M51 VanDerWaalsContact O-N 3.15Å; Q49-M51 VanDerWaalsContact C-N 3.32Å; M51-G53 PolarHBondContact O-N 2.59Å; M51-G53 VanDerWaalsContact O-N 3.12Å; M51-I54 HydrophobicContact CB-CD1 4.04Å; M51-I54 HydrophobicContact CE-CD1 3.5Å; M51-I54 HydrophobicContact CG-CD1 4.2Å; M51-I54 WeakPolarHBondContact O-CB 3.27Å; M51-I54 PolarHBondContact O-N 3.15Å; M51-I180 HydrophobicContact CE-CB 4.11Å; M51-I180 HydrophobicContact CE-CG2 3.87Å; M51-K182 HydrophobicContact CE-CB 4.28Å; M51-K182 HydrophobicContact CG-CB 4.48Å; M51-K182 HydrophobicContact CG-CD 4.12Å; M51-K182 HydrophobicContact SD-CB 4.09Å; M51-A195 HydrophobicContact CG-CB 3.75Å; M51-A195 HydrophobicContact SD-CB 3.58Å; M51-A195 VanDerWaalsContact SD-CB 3.58Å; M51-F196 WeakPolarHBondContact SD-CA 3.43Å; M51-C197 HydrophobicContact CE-CB 3.91Å; M51-C197 VanDerWaalsContact CE-SG 3.53Å; M51-C197 HydrophobicContact SD-CB 4.21Å; M51-C197 PolarHBondContact SD-N 2.94Å
52E78.3Confident84.3Confident139 Ų13979.1 Ų79.165%0.6542%0.421SS*.THydrogen-bonded Turntrans-61.4-22.1-172.1-66.8142.8-106.900115.2T47 Q49 G50 I54T47-E52 HydrophobicContact CG2-CG 4.47Å; Q49-E52 WeakPolarHBondContact CA-OE1 3.44Å; G50-E52 PolarHBondContact N-OE1 3.06Å; E52-I54 VanDerWaalsContact C-N 3.3Å; E52-I54 PolarHBondContact O-N 2.78Å
53G85.1Confident85.7Confident52 Ų5274.9 Ų74.954%0.53639%0.392SS..THydrogen-bonded Turntrans-74.5-14.3173.300000114.8M51M51-G53 PolarHBondContact O-N 2.59Å; M51-G53 VanDerWaalsContact O-N 3.12Å
54I90.4Very high86.9Confident12 Ų1270.9 Ų70.96%0.06237%0.373CS..  trans-81.4122.6-171.7-62169.7000110.4M51 E52 V91 T92 G93 L94 Y100 I180M51-I54 HydrophobicContact CB-CD1 4.04Å; M51-I54 HydrophobicContact CE-CD1 3.5Å; M51-I54 HydrophobicContact CG-CD1 4.2Å; M51-I54 WeakPolarHBondContact O-CB 3.27Å; M51-I54 PolarHBondContact O-N 3.15Å; E52-I54 VanDerWaalsContact C-N 3.3Å; E52-I54 PolarHBondContact O-N 2.78Å; I54-V91 HydrophobicContact CG2-CG1 3.98Å; I54-T92 WeakPolarHBondContact CA-O 3.27Å; I54-G93 WeakPolarHBondContact CG1-O 3.39Å; I54-L94 HydrophobicContact CD1-CD2 3.8Å; I54-L94 HydrophobicContact CG1-CD2 4.05Å; I54-L94 HydrophobicContact CG2-CD2 4.17Å; I54-Y100 HydrophobicContact CD1-CE1 3.99Å; I54-I180 HydrophobicContact CG2-CD1 3.8Å
55K91.5Very high88Confident128 Ų12869 Ų6956%0.55735%0.354SS*.EExtended strand (participates in β ladder)trans-121.3139.9177.8-59-178.2-176.8-179.40110.1F57 V91 T92K55-F57 HydrophobicContact CB-CE2 3.92Å; K55-F57 HydrophobicContact CB-CZ 4.05Å; K55-V91 WeakPolarHBondContact O-CA 3.14Å; K55-T92 PolarHBondContact N-O 2.93Å; K55-T92 PolarHBondContact O-N 2.94Å
56V93.9Very high89Confident14 Ų1471.6 Ų71.69%0.08535%0.354CS..EExtended strand (participates in β ladder)trans-126.8129.8-177.4-175.60000109.1V89 K90 V91 L178 I180 H199 F201V56-V89 HydrophobicContact CG1-CB 3.8Å; V56-V89 HydrophobicContact CG1-CG1 3.86Å; V56-V89 HydrophobicContact CG1-CG2 4.37Å; V56-K90 WeakPolarHBondContact CA-O 3.27Å; V56-V91 HydrophobicContact CG1-CG2 4.43Å; V56-V91 HydrophobicContact CG2-CG1 4.24Å; V56-V91 HydrophobicContact CG2-CG2 4.25Å; V56-L178 HydrophobicContact CB-CD2 4.5Å; V56-L178 HydrophobicContact CG1-CD2 3.61Å; V56-L178 HydrophobicContact CG2-CD2 4.11Å; V56-I180 HydrophobicContact CG2-CD1 3.82Å; V56-H199 HydrophobicContact CB-CB 4.42Å; V56-H199 VanDerWaalsContact CG2-CD2 3.42Å; V56-H199 WeakPolarHBondContact CG2-CD2 3.45Å; V56-F201 HydrophobicContact CB-CZ 4.3Å; V56-F201 HydrophobicContact CG1-CE2 4.03Å; V56-F201 HydrophobicContact CG1-CZ 3.84Å
57F94Very high89.9Confident106 Ų10665.9 Ų65.947%0.46533%0.329SS..EExtended strand (participates in β ladder)trans-119.7125.7-179.1-53.8-90.7000109.6K55 H59 V89 K90 T92K55-F57 HydrophobicContact CB-CE2 3.92Å; K55-F57 HydrophobicContact CB-CZ 4.05Å; F57-H59 PolarHBondContact O-N 2.86Å; F57-V89 CarbonylContact O-C 3.59Å; F57-V89 VanDerWaalsContact O-CA 3.31Å; F57-V89 WeakPolarHBondContact O-CA 3.48Å; F57-K90 HydrophobicContact CB-CB 4.43Å; F57-K90 PolarHBondContact N-O 2.96Å; F57-K90 PolarHBondContact O-N 3.46Å; F57-T92 HydrophobicContact CE2-CG2 4.29Å
58L95.9Very high90.7Very high16 Ų1666.1 Ų66.18%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-67.8125.6172.9-175.766.1000109.9R61 W64 F201 E203 T204L58-R61 HydrophobicContact CD2-CG 4.34Å; L58-W64 HydrophobicContact CD2-CB 4.07Å; L58-W64 HydrophobicContact CD2-CG 3.9Å; L58-F201 HydrophobicContact CB-CD1 4.15Å; L58-F201 HydrophobicContact CB-CD2 4.12Å; L58-F201 HydrophobicContact CB-CE1 4.15Å; L58-F201 HydrophobicContact CB-CE2 4.13Å; L58-F201 HydrophobicContact CB-CG 4.15Å; L58-F201 HydrophobicContact CB-CZ 4.15Å; L58-F201 HydrophobicContact CD1-CD2 4.07Å; L58-F201 HydrophobicContact CD1-CE2 4.48Å; L58-F201 HydrophobicContact CD2-CB 4.24Å; L58-F201 HydrophobicContact CD2-CG 4.3Å; L58-E203 HydrophobicContact CD2-CG 3.7Å; L58-T204 HydrophobicContact CD1-CG2 3.83Å; L58-T204 HydrophobicContact CD2-CG2 3.5Å; L58-T204 VanDerWaalsContact CD2-CG2 3.5Å; L58-T204 HydrophobicContact CG-CG2 4.34Å
59H94.8Very high91.7Very high96 Ų9667.4 Ų67.444%0.44433%0.333SS..THydrogen-bonded Turntrans-82.1150.6174.9-17584.8000110.3F57 R61 K88F57-H59 PolarHBondContact O-N 2.86Å; H59-R61 PolarHBondContact O-N 3.19Å; H59-K88 HydrophobicContact CB-CB 3.81Å; H59-K88 PolarHBondContact N-O 3.09Å
60E95.3Very high92.9Very high66 Ų6661 Ų6131%0.30831%0.306SS..THydrogen-bonded Turntrans53.933.3-172.2-67.2159.3-129.800113E62 L63 W64 K88E60-E62 VanDerWaalsContact C-N 3.26Å; E60-E62 PolarHBondContact O-N 3.13Å; E60-E62 VanDerWaalsContact O-N 3.16Å; E60-L63 HydrophobicContact CB-CB 4.27Å; E60-L63 WeakPolarHBondContact O-CB 3.49Å; E60-L63 PolarHBondContact O-N 2.95Å; E60-W64 PolarHBondContact O-N 3.42Å; E60-W64 VanDerWaalsContact O-N 3.16Å; E60-K88 IonicContact OE1-NZ 3.3Å; E60-K88 PolarHBondContact OE1-NZ 3.42Å
61R96.6Very high94.1Very high108 Ų10860.3 Ų60.341%0.40830%0.299SS..Hα-helixtrans-52.2-40.1-175.2-173.5178.8-169.1-151.3-3113.6L58 H59 L63 W64 L65 E203L58-R61 HydrophobicContact CD2-CG 4.34Å; H59-R61 PolarHBondContact O-N 3.19Å; R61-L63 VanDerWaalsContact C-N 3.32Å; R61-L63 PolarHBondContact O-N 2.85Å; R61-W64 WeakPolarHBondContact O-CB 3.37Å; R61-W64 PolarHBondContact O-N 3.08Å; R61-L65 HydrophobicContact CG-CD1 4.35Å; R61-L65 WeakPolarHBondContact O-CG 3.31Å; R61-L65 PolarHBondContact O-N 3.44Å; R61-E203 IonicContact CZ-OE1 3.15Å; R61-E203 IonicContact NE-OE1 3.71Å; R61-E203 PolarHBondContact NE-OE1 3.05Å; R61-E203 IonicContact NH2-OE1 3.62Å; R61-E203 PolarHBondContact NH2-OE1 2.84Å
62E97.8Very high94.9Very high147 Ų14760.4 Ų60.469%0.68730%0.299SS*.Hα-helixtrans-64.3-35.3177.9-64.9175.1-171.400112.9E60 L65 K66E60-E62 VanDerWaalsContact C-N 3.26Å; E60-E62 PolarHBondContact O-N 3.13Å; E60-E62 VanDerWaalsContact O-N 3.16Å; E62-L65 PolarHBondContact O-N 2.94Å; E62-K66 WeakPolarHBondContact O-CG 3.37Å; E62-K66 PolarHBondContact O-N 2.98Å
63L97.9Very high95.9Very high24 Ų2453.8 Ų53.813%0.12627%0.268CS..Hα-helixtrans-68.6-40.9174.7-177.561.2000110.4E60 R61 L65 K66 F67 F84 P85 N224E60-L63 HydrophobicContact CB-CB 4.27Å; E60-L63 WeakPolarHBondContact O-CB 3.49Å; E60-L63 PolarHBondContact O-N 2.95Å; R61-L63 VanDerWaalsContact C-N 3.32Å; R61-L63 PolarHBondContact O-N 2.85Å; L63-L65 PolarHBondContact O-N 3.23Å; L63-K66 PolarHBondContact O-N 2.97Å; L63-F67 HydrophobicContact CD1-CD2 4.17Å; L63-F67 HydrophobicContact CD1-CE2 3.81Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE2 4.07Å; L63-F67 VanDerWaalsContact O-CD2 3.31Å; L63-F67 WeakPolarHBondContact O-CD2 3.44Å; L63-F67 PolarHBondContact O-N 3.25Å; L63-F67 VanDerWaalsContact O-N 3.13Å; L63-F84 HydrophobicContact CD2-CZ 4.11Å; L63-P85 HydrophobicContact CD2-CB 4.11Å; L63-P85 HydrophobicContact CD2-CG 4Å; L63-P85 HydrophobicContact CG-CB 4.41Å; L63-P85 HydrophobicContact CG-CG 3.85Å; L63-N224 HydrophobicContact CD1-CB 3.85Å; L63-N224 WeakPolarHBondContact CD1-OD1 3.48Å; L63-N224 HydrophobicContact CD2-CB 4.35Å
64W98.4Very high96.5Very high0 Ų051.8 Ų51.80%025%0.245CC..Hα-helixtrans-59.1-43.8171.5-79.1102.5000112.3L58 E60 R61 K66 F67 H68 T72 M74 P85 Y87 E203 T204L58-W64 HydrophobicContact CD2-CB 4.07Å; L58-W64 HydrophobicContact CD2-CG 3.9Å; E60-W64 PolarHBondContact O-N 3.42Å; E60-W64 VanDerWaalsContact O-N 3.16Å; R61-W64 WeakPolarHBondContact O-CB 3.37Å; R61-W64 PolarHBondContact O-N 3.08Å; W64-K66 PolarHBondContact O-N 2.88Å; W64-F67 PolarHBondContact O-N 2.9Å; W64-H68 WeakPolarHBondContact O-CB 3.43Å; W64-H68 PolarHBondContact O-N 3.07Å; W64-T72 HydrophobicContact CZ3-CG2 4.48Å; W64-M74 HydrophobicContact CH2-CE 3.63Å; W64-M74 HydrophobicContact CZ3-CE 3.75Å; W64-P85 HydrophobicContact CD2-CB 4.13Å; W64-P85 HydrophobicContact CD2-CG 4.14Å; W64-P85 HydrophobicContact CE3-CG 4.43Å; W64-P85 HydrophobicContact CG-CB 4.49Å; W64-P85 HydrophobicContact CG-CG 4.47Å; W64-P85 HydrophobicContact CZ2-CB 3.99Å; W64-P85 VanDerWaalsContact CZ2-O 3.29Å; W64-P85 WeakPolarHBondContact CZ2-O 3.49Å; W64-Y87 HydrophobicContact CZ2-CD2 4.44Å; W64-E203 HydrophobicContact CB-CG 4.44Å; W64-T204 HydrophobicContact CD2-CG2 3.79Å; W64-T204 HydrophobicContact CE3-CG2 3.86Å; W64-T204 HydrophobicContact CG-CG2 4.25Å; W64-T204 HydrophobicContact CH2-CG2 4.37Å; W64-T204 HydrophobicContact CZ2-CG2 4.32Å; W64-T204 HydrophobicContact CZ3-CG2 4.14Å
65L98.3Very high96.9Very high19 Ų1952.7 Ų52.710%0.09925%0.25CC..Hα-helixtrans-61.8-41.3175.7-71168.6000112.6R61 E62 L63 F67 H68 E69 E203R61-L65 HydrophobicContact CG-CD1 4.35Å; R61-L65 WeakPolarHBondContact O-CG 3.31Å; R61-L65 PolarHBondContact O-N 3.44Å; E62-L65 PolarHBondContact O-N 2.94Å; L63-L65 PolarHBondContact O-N 3.23Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-F67 PolarHBondContact O-N 2.85Å; L65-H68 PolarHBondContact O-N 3.2Å; L65-H68 VanDerWaalsContact O-N 3.14Å; L65-E69 PolarHBondContact O-N 2.9Å; L65-E203 HydrophobicContact CD2-CB 3.8Å; L65-E203 HydrophobicContact CD2-CG 4.49Å; L65-E203 HydrophobicContact CG-CB 4.42Å
66K98.1Very high97.1Very high115 Ų11548.6 Ų48.650%0.523%0.233SC..Hα-helixtrans-60.4-38.8174.5-72.5173.1-176.4-1800112.7E62 L63 W64E62-K66 WeakPolarHBondContact O-CG 3.37Å; E62-K66 PolarHBondContact O-N 2.98Å; L63-K66 PolarHBondContact O-N 2.97Å; W64-K66 PolarHBondContact O-N 2.88Å
67F98.4Very high97.1Very high0 Ų051 Ų510%025%0.248CC..Hα-helixtrans-71.5-38.5172.2-81.5-73.2000112.4L63 W64 L65 V70 G71 T72 F84 P85 I217 L220 K221L63-F67 HydrophobicContact CD1-CD2 4.17Å; L63-F67 HydrophobicContact CD1-CE2 3.81Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE2 4.07Å; L63-F67 VanDerWaalsContact O-CD2 3.31Å; L63-F67 WeakPolarHBondContact O-CD2 3.44Å; L63-F67 PolarHBondContact O-N 3.25Å; L63-F67 VanDerWaalsContact O-N 3.13Å; W64-F67 PolarHBondContact O-N 2.9Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-F67 PolarHBondContact O-N 2.85Å; F67-V70 PolarHBondContact O-N 3.38Å; F67-G71 CarbonylContact O-C 3.52Å; F67-G71 PolarHBondContact O-N 2.98Å; F67-T72 VanDerWaalsContact C-OG1 3.25Å; F67-T72 HydrophobicContact CB-CG2 4.14Å; F67-T72 PolarHBondContact O-N 3.12Å; F67-T72 VanDerWaalsContact O-N 3.08Å; F67-T72 PolarHBondContact O-OG1 3.05Å; F67-F84 HydrophobicContact CE2-CD1 4.27Å; F67-F84 AromaticContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CZ-CD1 4.11Å; F67-F84 AromaticContact CZ-CE1 3.92Å; F67-F84 HydrophobicContact CZ-CE1 3.92Å; F67-P85 VanDerWaalsContact CD2-CD 3.5Å; F67-P85 HydrophobicContact CD2-CG 3.36Å; F67-P85 HydrophobicContact CE2-CG 3.55Å; F67-P85 HydrophobicContact CG-CG 4.36Å; F67-I217 HydrophobicContact CD1-CD1 3.95Å; F67-I217 HydrophobicContact CD1-CG2 4.3Å; F67-I217 HydrophobicContact CE1-CG2 4.2Å; F67-L220 HydrophobicContact CD1-CB 4.16Å; F67-L220 HydrophobicContact CD1-CD1 4.2Å; F67-L220 HydrophobicContact CE1-CB 3.43Å; F67-L220 VanDerWaalsContact CE1-CB 3.43Å; F67-L220 HydrophobicContact CE1-CD1 4.3Å; F67-L220 HydrophobicContact CE2-CB 4.46Å; F67-L220 HydrophobicContact CZ-CB 3.61Å; F67-K221 HydrophobicContact CE1-CD 3.59Å; F67-K221 HydrophobicContact CE1-CG 3.93Å; F67-K221 HydrophobicContact CZ-CD 3.77Å; F67-K221 HydrophobicContact CZ-CG 4.24Å
68H98Very high96.9Very high58 Ų5855.9 Ų55.927%0.26927%0.269SS..Hα-helixtrans-63.6-45-178.8-171.381.5000112.5W64 L65 V70 G71 T72 P202W64-H68 WeakPolarHBondContact O-CB 3.43Å; W64-H68 PolarHBondContact O-N 3.07Å; L65-H68 PolarHBondContact O-N 3.2Å; L65-H68 VanDerWaalsContact O-N 3.14Å; H68-V70 PolarHBondContact O-N 3.47Å; H68-G71 PolarHBondContact O-N 2.89Å; H68-T72 WeakPolarHBondContact CA-OG1 3.42Å; H68-T72 PolarHBondContact N-OG1 2.85Å; H68-P202 PolarHBondContact CE1-O 3.13Å; H68-P202 PolarHBondContact ND1-O 2.92Å
69E97.6Very high96.6Very high96 Ų9659.7 Ų59.745%0.44930%0.303SS..Hα-helixtrans-62.4-29.7178.9180160.7-150.500113.1K37 L65K37-E69 IonicContact NZ-OE1 3.33Å; K37-E69 PolarHBondContact NZ-OE1 2.83Å; L65-E69 PolarHBondContact O-N 2.9Å
70V97.3Very high96.3Very high42 Ų4256.6 Ų56.626%0.25530%0.297SS..Hα-helixtrans-87.5-13.2176.2-177.70000112.4F67 H68 N214 K216 I217 L220F67-V70 PolarHBondContact O-N 3.38Å; H68-V70 PolarHBondContact O-N 3.47Å; V70-N214 WeakPolarHBondContact CG1-ND2 3.49Å; V70-N214 PolarHBondContact O-ND2 3.19Å; V70-K216 HydrophobicContact CG1-CB 3.55Å; V70-I217 HydrophobicContact CB-CD1 3.75Å; V70-I217 HydrophobicContact CG1-CD1 3.54Å; V70-I217 HydrophobicContact CG1-CG1 3.84Å; V70-L220 HydrophobicContact CB-CD1 4.33Å; V70-L220 HydrophobicContact CG2-CD1 3.93Å
71G97.3Very high96.2Very high27 Ų2761.6 Ų61.628%0.27831%0.313SS..  trans88.587.7-174.200000112.1F67 H68 E73 I217F67-G71 CarbonylContact O-C 3.52Å; F67-G71 PolarHBondContact O-N 2.98Å; H68-G71 PolarHBondContact O-N 2.89Å; G71-E73 PolarHBondContact O-N 2.9Å; G71-I217 VanDerWaalsContact O-CD1 3.29Å; G71-I217 WeakPolarHBondContact O-CD1 3.47Å
72T98.6Very high96.1Very high4 Ų467 Ų673%0.02533%0.334CS..  trans-53.9125.5-174.1-49.30000113.2W64 F67 H68 M74 A205 F206 I207W64-T72 HydrophobicContact CZ3-CG2 4.48Å; F67-T72 VanDerWaalsContact C-OG1 3.25Å; F67-T72 HydrophobicContact CB-CG2 4.14Å; F67-T72 PolarHBondContact O-N 3.12Å; F67-T72 VanDerWaalsContact O-N 3.08Å; F67-T72 PolarHBondContact O-OG1 3.05Å; H68-T72 WeakPolarHBondContact CA-OG1 3.42Å; H68-T72 PolarHBondContact N-OG1 2.85Å; T72-M74 HydrophobicContact CG2-CE 4.04Å; T72-A205 WeakPolarHBondContact CB-O 3.47Å; T72-A205 PolarHBondContact OG1-O 3.28Å; T72-F206 HydrophobicContact CG2-CB 3.66Å; T72-F206 CarbonylContact O-C 3.48Å; T72-F206 WeakPolarHBondContact O-CA 3.5Å; T72-F206 WeakPolarHBondContact O-CB 3.38Å; T72-I207 PolarHBondContact O-N 2.94Å
73E98.6Very high96Very high0 Ų062.4 Ų62.40%031%0.312CS..EExtended strand (participates in β ladder)trans-110.7146.2169.8-59173.2-159.900111.5G71 W121 I207 V209 Y212 Q213 N214 I217 K221G71-E73 PolarHBondContact O-N 2.9Å; E73-W121 HydrophobicContact CG-CZ2 3.94Å; E73-I207 WeakPolarHBondContact CA-O 3.34Å; E73-V209 HydrophobicContact CB-CG2 3.99Å; E73-V209 HydrophobicContact CG-CG1 4.49Å; E73-Y212 HydrophobicContact CB-CD1 4.06Å; E73-Y212 HydrophobicContact CB-CE1 4.4Å; E73-Y212 WeakPolarHBondContact OE2-CA 3.35Å; E73-Q213 PolarHBondContact OE2-N 3.47Å; E73-N214 WeakPolarHBondContact OE1-CB 3.37Å; E73-N214 PolarHBondContact OE1-N 3.48Å; E73-I217 HydrophobicContact CB-CG2 4.09Å; E73-I217 HydrophobicContact CG-CG1 4.28Å; E73-I217 HydrophobicContact CG-CG2 4.49Å; E73-K221 VanDerWaalsContact O-CE 3.27Å; E73-K221 WeakPolarHBondContact O-CE 3.25Å; E73-K221 PolarHBondContact O-NZ 2.85Å
74M98.4Very high96Very high9 Ų962.3 Ų62.34%0.04431%0.311CS..EExtended strand (participates in β ladder)trans-128.2126.4172.5-65.6-67.3-176.600111W64 T72 M83 F84 F206 I207 V209W64-M74 HydrophobicContact CH2-CE 3.63Å; W64-M74 HydrophobicContact CZ3-CE 3.75Å; T72-M74 HydrophobicContact CG2-CE 4.04Å; M74-M83 HydrophobicContact CE-CB 4.04Å; M74-M83 HydrophobicContact CE-CG 4.43Å; M74-M83 HydrophobicContact SD-CB 3.94Å; M74-M83 HydrophobicContact SD-CG 4.18Å; M74-F84 WeakPolarHBondContact CE-O 3.1Å; M74-F206 HydrophobicContact CB-CD2 3.53Å; M74-F206 HydrophobicContact CB-CE2 3.7Å; M74-F206 HydrophobicContact CB-CG 4.15Å; M74-F206 HydrophobicContact CB-CZ 4.42Å; M74-F206 HydrophobicContact CG-CB 3.92Å; M74-F206 HydrophobicContact CG-CD1 3.94Å; M74-F206 HydrophobicContact CG-CD2 3.42Å; M74-F206 VanDerWaalsContact CG-CD2 3.42Å; M74-F206 HydrophobicContact CG-CE1 4.29Å; M74-F206 HydrophobicContact CG-CE2 3.84Å; M74-F206 HydrophobicContact CG-CG 3.49Å; M74-F206 VanDerWaalsContact CG-CG 3.49Å; M74-F206 HydrophobicContact CG-CZ 4.25Å; M74-I207 PolarHBondContact N-O 3.11Å; M74-V209 PolarHBondContact O-N 2.78Å
75I97.8Very high96Very high32 Ų3262.3 Ų62.316%0.16431%0.311CS..EExtended strand (participates in β ladder)trans-70.5127.5177.9-64.7-74.9000110.4T77 R81 V209 Y212I75-T77 HydrophobicContact CG2-CG2 3.88Å; I75-R81 HydrophobicContact CB-CG 4.17Å; I75-R81 HydrophobicContact CG2-CG 4.1Å; I75-R81 VanDerWaalsContact O-CB 3.23Å; I75-R81 WeakPolarHBondContact O-CB 3.2Å; I75-R81 WeakPolarHBondContact O-CG 3.3Å; I75-V209 CarbonylContact C-O 3.58Å; I75-V209 VanDerWaalsContact CA-O 3.26Å; I75-V209 WeakPolarHBondContact CA-O 3.39Å; I75-V209 HydrophobicContact CD1-CG2 4.19Å; I75-Y212 HydrophobicContact CD1-CD1 3.96Å; I75-Y212 HydrophobicContact CD1-CD2 4.18Å; I75-Y212 HydrophobicContact CD1-CE1 3.95Å; I75-Y212 HydrophobicContact CD1-CE2 4.18Å; I75-Y212 HydrophobicContact CD1-CG 4.06Å; I75-Y212 HydrophobicContact CG1-CD1 4.09Å; I75-Y212 HydrophobicContact CG1-CD2 4.42Å; I75-Y212 HydrophobicContact CG1-CE1 3.55Å; I75-Y212 HydrophobicContact CG1-CE2 3.92Å; I75-Y212 HydrophobicContact CG1-CG 4.48Å; I75-Y212 VanDerWaalsContact CG1-CZ 3.43Å
76I95.6Very high95.8Very high41 Ų4163.9 Ų63.921%0.2132%0.323CS..  trans-108.7143169.459.3167.9000111.2L168 A208 V209 T210I76-L168 WeakPolarHBondContact CD1-O 3.46Å; I76-L168 HydrophobicContact CG2-CB 4.42Å; I76-L168 HydrophobicContact CG2-CD1 4.38Å; I76-A208 HydrophobicContact CD1-CB 4.43Å; I76-A208 HydrophobicContact CG2-CB 4.11Å; I76-V209 WeakPolarHBondContact CG1-O 3.45Å; I76-V209 PolarHBondContact N-O 2.74Å; I76-T210 HydrophobicContact CG1-CG2 4.41Å
77T93.9Very high95.7Very high64 Ų6460.1 Ų60.139%0.39331%0.306SS..  trans-144.8160.3-18073.60000110.8I75 A79 G80 R81I75-T77 HydrophobicContact CG2-CG2 3.88Å; T77-A79 VanDerWaalsContact C-N 3.32Å; T77-A79 PolarHBondContact O-N 3.35Å; T77-G80 PolarHBondContact O-N 3.18Å; T77-G80 VanDerWaalsContact OG1-C 3.22Å; T77-G80 PolarHBondContact OG1-N 3.4Å; T77-G80 VanDerWaalsContact OG1-N 3.13Å; T77-G80 PolarHBondContact OG1-O 2.73Å; T77-R81 HydrophobicContact CG2-CB 4.49Å
78K89.6Confident95.5Very high209 Ų20964.3 Ų64.391%0.90933%0.325SS*.THydrogen-bonded Turntrans-57.2-42.1176.8-173.3177.3-179.1179.30112.8G80 Q165K78-G80 VanDerWaalsContact C-N 3.26Å; K78-G80 PolarHBondContact O-N 3.14Å; K78-Q165 PolarHBondContact O-NE2 3.31Å
79A89.6Confident95.4Very high97 Ų9763.7 Ų63.780%0.80233%0.325SS*.THydrogen-bonded Turntrans-81.3-0.4178.500000114T77T77-A79 VanDerWaalsContact C-N 3.32Å; T77-A79 PolarHBondContact O-N 3.35Å
80G90.1Very high95.3Very high30 Ų3065.8 Ų65.831%0.30933%0.333SS..  trans82.4159-173.700000113.6T77 K78T77-G80 PolarHBondContact O-N 3.18Å; T77-G80 VanDerWaalsContact OG1-C 3.22Å; T77-G80 PolarHBondContact OG1-N 3.4Å; T77-G80 VanDerWaalsContact OG1-N 3.13Å; T77-G80 PolarHBondContact OG1-O 2.73Å; K78-G80 VanDerWaalsContact C-N 3.26Å; K78-G80 PolarHBondContact O-N 3.14Å
81R93.3Very high95.2Very high172 Ų17265.4 Ų65.465%0.64933%0.33SS*.  trans-143.3142.3178.8-166.170.2174.4173.7-2.5108.7I75 T77I75-R81 HydrophobicContact CB-CG 4.17Å; I75-R81 HydrophobicContact CG2-CG 4.1Å; I75-R81 VanDerWaalsContact O-CB 3.23Å; I75-R81 WeakPolarHBondContact O-CB 3.2Å; I75-R81 WeakPolarHBondContact O-CG 3.3Å; T77-R81 HydrophobicContact CG2-CB 4.49Å
82R94.3Very high95Very high222 Ų22266.6 Ų66.684%0.83833%0.332SS*.  trans-77.1136.4171.5-65.2-180179.4172.1-0.8108.9
83M95.5Very high94.7Very high49 Ų4968.8 Ų68.824%0.24136%0.356CS..  trans-60.5146171.4-66.2-171.2-6700110.4M74 P85 M104 I106 F206M74-M83 HydrophobicContact CE-CB 4.04Å; M74-M83 HydrophobicContact CE-CG 4.43Å; M74-M83 HydrophobicContact SD-CB 3.94Å; M74-M83 HydrophobicContact SD-CG 4.18Å; M83-P85 CarbonylContact C-O 3.5Å; M83-M104 HydrophobicContact CE-CE 3.87Å; M83-M104 HydrophobicContact CE-SD 4.1Å; M83-I106 HydrophobicContact SD-CD1 4.33Å; M83-F206 HydrophobicContact SD-CE1 4.24Å
84F97.2Very high94.4Very high23 Ų2371.2 Ų71.210%0.10137%0.368CS..SBendtrans-139.9123.7165.8-174.5-89.6000109.3L63 F67 M74 K221 N224 N225L63-F84 HydrophobicContact CD2-CZ 4.11Å; F67-F84 HydrophobicContact CE2-CD1 4.27Å; F67-F84 AromaticContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CE2-CE1 3.88Å; F67-F84 HydrophobicContact CZ-CD1 4.11Å; F67-F84 AromaticContact CZ-CE1 3.92Å; F67-F84 HydrophobicContact CZ-CE1 3.92Å; M74-F84 WeakPolarHBondContact CE-O 3.1Å; F84-K221 HydrophobicContact CD1-CD 3.85Å; F84-K221 PolarHBondContact O-NZ 2.99Å; F84-N224 HydrophobicContact CE1-CB 3.91Å; F84-N224 HydrophobicContact CZ-CB 3.87Å; F84-N224 WeakPolarHBondContact CZ-O 3.26Å; F84-N225 HydrophobicContact CD1-CB 3.92Å; F84-N225 HydrophobicContact CD2-CB 3.9Å; F84-N225 HydrophobicContact CE1-CB 3.84Å; F84-N225 HydrophobicContact CE2-CB 3.83Å; F84-N225 HydrophobicContact CG-CB 3.96Å; F84-N225 VanDerWaalsContact CZ-CA 3.49Å; F84-N225 HydrophobicContact CZ-CB 3.81Å
85P97.8Very high94Very high0 Ų074.3 Ų74.30%039%0.385CS..SBendcis-62.4161.92.7-20.533.6000113.6L63 W64 F67 M83L63-P85 HydrophobicContact CD2-CB 4.11Å; L63-P85 HydrophobicContact CD2-CG 4Å; L63-P85 HydrophobicContact CG-CB 4.41Å; L63-P85 HydrophobicContact CG-CG 3.85Å; W64-P85 HydrophobicContact CD2-CB 4.13Å; W64-P85 HydrophobicContact CD2-CG 4.14Å; W64-P85 HydrophobicContact CE3-CG 4.43Å; W64-P85 HydrophobicContact CG-CB 4.49Å; W64-P85 HydrophobicContact CG-CG 4.47Å; W64-P85 HydrophobicContact CZ2-CB 3.99Å; W64-P85 VanDerWaalsContact CZ2-O 3.29Å; W64-P85 WeakPolarHBondContact CZ2-O 3.49Å; F67-P85 VanDerWaalsContact CD2-CD 3.5Å; F67-P85 HydrophobicContact CD2-CG 3.36Å; F67-P85 HydrophobicContact CE2-CG 3.55Å; F67-P85 HydrophobicContact CG-CG 4.36Å; M83-P85 CarbonylContact C-O 3.5Å
86S95.9Very high93.7Very high51 Ų5179.1 Ų79.136%0.35742%0.418SS..  trans-75.9127.9178.8-650000109.7K88S86-K88 PolarHBondContact O-N 3.21Å
87Y95.1Very high93.4Very high36 Ų3685.8 Ų85.814%0.14145%0.446CS..  trans-70.4105.3172.4-166.9-85.4000109W64 V89 M104 P176 L178 F201 T204W64-Y87 HydrophobicContact CZ2-CD2 4.44Å; Y87-V89 HydrophobicContact CE1-CG1 4.04Å; Y87-M104 HydrophobicContact CD1-CG 4.47Å; Y87-M104 HydrophobicContact CD1-SD 3.74Å; Y87-M104 HydrophobicContact CE1-CG 4.35Å; Y87-M104 HydrophobicContact CE1-SD 4.19Å; Y87-M104 HydrophobicContact CG-SD 3.96Å; Y87-P176 HydrophobicContact CD2-CB 4Å; Y87-P176 HydrophobicContact CD2-CG 4.49Å; Y87-P176 HydrophobicContact CE2-CB 3.7Å; Y87-L178 HydrophobicContact CE1-CB 4.42Å; Y87-F201 HydrophobicContact CE2-CD2 4.29Å; Y87-T204 HydrophobicContact CD2-CG2 4.08Å; Y87-T204 HydrophobicContact CE2-CG2 3.95Å
88K95Very high93.2Very high88 Ų8884.2 Ų84.238%0.38344%0.436SS..  trans-132.9138.7-174.9-71.5171.4175.81780108.4H59 E60 S86H59-K88 HydrophobicContact CB-CB 3.81Å; H59-K88 PolarHBondContact N-O 3.09Å; E60-K88 IonicContact OE1-NZ 3.3Å; E60-K88 PolarHBondContact OE1-NZ 3.42Å; S86-K88 PolarHBondContact O-N 3.21Å
89V95.4Very high93.3Very high46 Ų4679 Ų7928%0.27941%0.413SS..EExtended strand (participates in β ladder)trans-134.8147.7-179.2-66.80000112.1V56 F57 Y87 V91 L178 F201V56-V89 HydrophobicContact CG1-CB 3.8Å; V56-V89 HydrophobicContact CG1-CG1 3.86Å; V56-V89 HydrophobicContact CG1-CG2 4.37Å; F57-V89 CarbonylContact O-C 3.59Å; F57-V89 VanDerWaalsContact O-CA 3.31Å; F57-V89 WeakPolarHBondContact O-CA 3.48Å; Y87-V89 HydrophobicContact CE1-CG1 4.04Å; V89-V91 HydrophobicContact CG2-CG2 4.25Å; V89-L178 HydrophobicContact CG1-CD2 4.44Å; V89-L178 HydrophobicContact CG2-CD1 4.43Å; V89-L178 HydrophobicContact CG2-CD2 3.98Å; V89-F201 HydrophobicContact CG1-CE2 3.9Å
90K94.8Very high93.5Very high140 Ų14076.2 Ų76.261%0.60938%0.382SS*.EExtended strand (participates in β ladder)trans-101.2128162.5178.7179.7179.2-179.90108V56 F57V56-K90 WeakPolarHBondContact CA-O 3.27Å; F57-K90 HydrophobicContact CB-CB 4.43Å; F57-K90 PolarHBondContact N-O 2.96Å; F57-K90 PolarHBondContact O-N 3.46Å
91V95.1Very high93.6Very high33 Ų3377.1 Ų77.120%0.238%0.38CS..EExtended strand (participates in β ladder)trans-111.3138.6176.9-171.40000109.2I54 K55 V56 V89 L94 L102 I180I54-V91 HydrophobicContact CG2-CG1 3.98Å; K55-V91 WeakPolarHBondContact O-CA 3.14Å; V56-V91 HydrophobicContact CG1-CG2 4.43Å; V56-V91 HydrophobicContact CG2-CG1 4.24Å; V56-V91 HydrophobicContact CG2-CG2 4.25Å; V89-V91 HydrophobicContact CG2-CG2 4.25Å; V91-L94 HydrophobicContact CB-CD1 4.33Å; V91-L94 HydrophobicContact CG1-CD1 3.83Å; V91-L94 HydrophobicContact CG1-CD2 4.04Å; V91-L94 HydrophobicContact CG1-CG 3.81Å; V91-L102 HydrophobicContact CG2-CD2 4.41Å; V91-I180 HydrophobicContact CG1-CD1 3.92Å; V91-I180 HydrophobicContact CG2-CD1 4.43Å
92T93.9Very high93.5Very high53 Ų5369.4 Ų69.433%0.32535%0.351SS..EExtended strand (participates in β ladder)trans-135.1158.8175.361.30000110.4I54 K55 F57I54-T92 WeakPolarHBondContact CA-O 3.27Å; K55-T92 PolarHBondContact N-O 2.93Å; K55-T92 PolarHBondContact O-N 2.94Å; F57-T92 HydrophobicContact CE2-CG2 4.29Å
93G91.6Very high93.4Very high50 Ų5060.6 Ų60.652%0.51532%0.321SS..  trans81.811.9179.200000115.1I54I54-G93 WeakPolarHBondContact CG1-O 3.39Å
94L91.8Very high93.2Very high50 Ų5060.3 Ų60.326%0.26232%0.319SS..  trans-71.3140.9166.4-59.9174.1000109.8I54 V91 P96 Y100 I180I54-L94 HydrophobicContact CD1-CD2 3.8Å; I54-L94 HydrophobicContact CG1-CD2 4.05Å; I54-L94 HydrophobicContact CG2-CD2 4.17Å; V91-L94 HydrophobicContact CB-CD1 4.33Å; V91-L94 HydrophobicContact CG1-CD1 3.83Å; V91-L94 HydrophobicContact CG1-CD2 4.04Å; V91-L94 HydrophobicContact CG1-CG 3.81Å; L94-P96 WeakPolarHBondContact O-CD 3.26Å; L94-Y100 HydrophobicContact CB-CD2 4.37Å; L94-Y100 HydrophobicContact CB-CE2 3.86Å; L94-Y100 HydrophobicContact CD2-CD1 3.84Å; L94-Y100 HydrophobicContact CD2-CD2 4.1Å; L94-Y100 HydrophobicContact CD2-CE1 3.69Å; L94-Y100 HydrophobicContact CD2-CE2 3.99Å; L94-Y100 HydrophobicContact CD2-CG 4.03Å; L94-Y100 HydrophobicContact CG-CE2 4.43Å; L94-I180 HydrophobicContact CD2-CG2 4.26Å
95N90.7Very high93Very high75 Ų7561.4 Ų61.440%0.40133%0.326SS..  trans-74.4119.3172.5-179.8-15.9000109.5K97 T98 Y100N95-K97 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact OD1-N 3.19Å; N95-T98 PolarHBondContact ND2-OG1 2.98Å; N95-T98 PolarHBondContact O-N 3.43Å; N95-T98 VanDerWaalsContact O-N 3.12Å; N95-Y100 PolarHBondContact N-OH 2.67Å
96P91.2Very high92.9Very high132 Ų13262.7 Ų62.786%0.85733%0.332SS*.THydrogen-bonded Turntrans-60.4-18.3-178.3-24.835.4000115.4L94L94-P96 WeakPolarHBondContact O-CD 3.26Å
97K89.4Confident92.8Very high182 Ų18262.2 Ų62.279%0.79133%0.328SS*.THydrogen-bonded Turntrans-90.7-11.9-179.9-60.6-175.3179.7-178.40113.8N95N95-K97 PolarHBondContact O-N 2.88Å; N95-K97 PolarHBondContact OD1-N 3.19Å
98T90.3Very high92.8Very high30 Ų3064.5 Ų64.518%0.18435%0.347CS..SBendtrans-104.5137.4-175.4-49.20000110.7N95 Y100 K182 A183N95-T98 PolarHBondContact ND2-OG1 2.98Å; N95-T98 PolarHBondContact O-N 3.43Å; N95-T98 VanDerWaalsContact O-N 3.12Å; T98-Y100 HydrophobicContact CG2-CE2 4.39Å; T98-Y100 WeakPolarHBondContact O-CD2 3.2Å; T98-Y100 VanDerWaalsContact O-CE2 3.26Å; T98-Y100 WeakPolarHBondContact O-CE2 3.47Å; T98-K182 HydrophobicContact CG2-CG 3.92Å; T98-A183 HydrophobicContact CG2-CB 4.13Å
99K91.8Very high92.8Very high101 Ų10162.5 Ų62.544%0.43935%0.347SS..  trans-73.2148.8170.3-68.7166-157.5155.30110.8A183 N187 F189K99-A183 HydrophobicContact CB-CB 4Å; K99-A183 VanDerWaalsContact O-CB 3.25Å; K99-A183 WeakPolarHBondContact O-CB 3.11Å; K99-A183 PolarHBondContact O-N 3.43Å; K99-N187 WeakPolarHBondContact CB-OD1 3.5Å; K99-N187 WeakPolarHBondContact CD-OD1 3.2Å; K99-N187 WeakPolarHBondContact CE-ND2 3.5Å; K99-N187 WeakPolarHBondContact CG-OD1 3.34Å; K99-N187 PolarHBondContact N-OD1 2.99Å; K99-N187 PolarHBondContact NZ-O 2.8Å; K99-F189 HydrophobicContact CB-CE2 4.2Å; K99-F189 HydrophobicContact CB-CZ 3.81Å; K99-F189 HydrophobicContact CD-CE2 4.46Å
100Y92.8Very high92.8Very high38 Ų3862.2 Ų62.215%0.14934%0.344CS..EExtended strand (participates in β ladder)trans-133.2147.4172.8-63.7-93.8000110.2I54 L94 N95 T98 I180 V181 K182I54-Y100 HydrophobicContact CD1-CE1 3.99Å; L94-Y100 HydrophobicContact CB-CD2 4.37Å; L94-Y100 HydrophobicContact CB-CE2 3.86Å; L94-Y100 HydrophobicContact CD2-CD1 3.84Å; L94-Y100 HydrophobicContact CD2-CD2 4.1Å; L94-Y100 HydrophobicContact CD2-CE1 3.69Å; L94-Y100 HydrophobicContact CD2-CE2 3.99Å; L94-Y100 HydrophobicContact CD2-CG 4.03Å; L94-Y100 HydrophobicContact CG-CE2 4.43Å; N95-Y100 PolarHBondContact N-OH 2.67Å; T98-Y100 HydrophobicContact CG2-CE2 4.39Å; T98-Y100 WeakPolarHBondContact O-CD2 3.2Å; T98-Y100 VanDerWaalsContact O-CE2 3.26Å; T98-Y100 WeakPolarHBondContact O-CE2 3.47Å; Y100-I180 HydrophobicContact CD1-CG2 3.72Å; Y100-I180 HydrophobicContact CE1-CG2 4.45Å; Y100-I180 HydrophobicContact CG-CG2 4.43Å; Y100-V181 CarbonylContact C-O 3.43Å; Y100-V181 VanDerWaalsContact CA-O 3.22Å; Y100-V181 WeakPolarHBondContact CA-O 3.38Å; Y100-K182 HydrophobicContact CD1-CB 3.98Å; Y100-K182 HydrophobicContact CD1-CG 4.28Å; Y100-K182 HydrophobicContact CE1-CB 3.7Å; Y100-K182 HydrophobicContact CE1-CD 4.39Å; Y100-K182 HydrophobicContact CE1-CG 3.63Å
101I92.1Very high92.9Very high49 Ų4959.7 Ų59.725%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-107.9129.1165.3-61.4167.9000107.5L103 L161 V181 F189I101-L103 HydrophobicContact CB-CD1 4.44Å; I101-L103 HydrophobicContact CG2-CD1 3.75Å; I101-L103 HydrophobicContact CG2-CD2 4.42Å; I101-L103 HydrophobicContact CG2-CG 3.89Å; I101-L161 HydrophobicContact CG2-CD1 4.48Å; I101-V181 HydrophobicContact CB-CB 4.43Å; I101-V181 PolarHBondContact N-O 2.91Å; I101-V181 PolarHBondContact O-N 3.5Å; I101-F189 HydrophobicContact CD1-CD1 3.81Å; I101-F189 HydrophobicContact CD1-CD2 3.87Å; I101-F189 HydrophobicContact CD1-CE1 3.81Å; I101-F189 HydrophobicContact CD1-CE2 3.87Å; I101-F189 HydrophobicContact CD1-CG 3.84Å; I101-F189 HydrophobicContact CD1-CZ 3.84Å; I101-F189 HydrophobicContact CG1-CD1 4.31Å; I101-F189 HydrophobicContact CG1-CD2 4.48Å; I101-F189 HydrophobicContact CG1-CE1 3.78Å; I101-F189 HydrophobicContact CG1-CE2 3.97Å; I101-F189 HydrophobicContact CG1-CZ 3.59Å
102L92.8Very high92.9Very high10 Ų1061.8 Ų61.85%0.05234%0.344CS..EExtended strand (participates in β ladder)trans-101.2134.4169.4-89.664.5000109.6V91 P158 L160 H179 I180V91-L102 HydrophobicContact CG2-CD2 4.41Å; L102-P158 HydrophobicContact CD1-CB 4.07Å; L102-P158 HydrophobicContact CD1-CG 4.25Å; L102-P158 HydrophobicContact CD2-CB 4.36Å; L102-P158 HydrophobicContact CD2-CG 3.8Å; L102-L160 HydrophobicContact CB-CD2 4.35Å; L102-H179 WeakPolarHBondContact CA-O 3.38Å; L102-I180 HydrophobicContact CD1-CG1 4.18Å; L102-I180 HydrophobicContact CD1-CG2 4.12Å; L102-I180 HydrophobicContact CG-CG1 4.15Å
103L90.6Very high93Very high37 Ų3764 Ų6419%0.19435%0.346CS..EExtended strand (participates in β ladder)trans-133.7153.9176-43.393.3000109.4I101 H179 V181I101-L103 HydrophobicContact CB-CD1 4.44Å; I101-L103 HydrophobicContact CG2-CD1 3.75Å; I101-L103 HydrophobicContact CG2-CD2 4.42Å; I101-L103 HydrophobicContact CG2-CG 3.89Å; L103-H179 HydrophobicContact CB-CB 4.28Å; L103-H179 HydrophobicContact CD1-CB 4.11Å; L103-H179 PolarHBondContact N-O 2.95Å; L103-H179 PolarHBondContact O-N 3.25Å; L103-V181 HydrophobicContact CD1-CG2 3.79Å
104M92.3Very high93.3Very high42 Ų4263.2 Ų63.221%0.20733%0.328CS..EExtended strand (participates in β ladder)trans-124.5133.3168.6-168.2-16579.400108.4M83 Y87 I106 I166 R177M83-M104 HydrophobicContact CE-CE 3.87Å; M83-M104 HydrophobicContact CE-SD 4.1Å; Y87-M104 HydrophobicContact CD1-CG 4.47Å; Y87-M104 HydrophobicContact CD1-SD 3.74Å; Y87-M104 HydrophobicContact CE1-CG 4.35Å; Y87-M104 HydrophobicContact CE1-SD 4.19Å; Y87-M104 HydrophobicContact CG-SD 3.96Å; M104-I106 HydrophobicContact CE-CD1 4Å; M104-I106 HydrophobicContact CE-CG1 3.93Å; M104-I166 HydrophobicContact CE-CD1 4.2Å; M104-R177 VanDerWaalsContact CA-O 3.31Å; M104-R177 WeakPolarHBondContact CA-O 3.36Å; M104-R177 WeakPolarHBondContact CG-O 3.29Å
105D92.3Very high93.6Very high47 Ų4765.5 Ų65.525%0.25134%0.336SS..EExtended strand (participates in β ladder)trans-113.6171.9164.786.95.6000110.8P176 R177 H179D105-P176 WeakPolarHBondContact O-CA 3.31Å; D105-R177 PolarHBondContact N-O 2.82Å; D105-R177 PolarHBondContact O-N 3.16Å; D105-R177 VanDerWaalsContact OD1-CB 3.3Å; D105-R177 WeakPolarHBondContact OD1-CB 3.47Å; D105-R177 VanDerWaalsContact OD1-CD 3.29Å; D105-R177 WeakPolarHBondContact OD1-CD 3.31Å; D105-R177 IonicContact OD1-NH1 3.52Å; D105-R177 IonicContact OD2-CZ 3.92Å; D105-R177 IonicContact OD2-NH1 2.73Å; D105-R177 PolarHBondContact OD2-NH1 3.04Å; D105-H179 IonicContact OD1-NE2 2.63Å; D105-H179 IonicContact OD2-NE2 2.73Å; D105-H179 PolarHBondContact OD2-NE2 3.3Å
106I95.2Very high94Very high26 Ų2663.8 Ų63.813%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-135.3112.3171.6-58.6-179.3000106.2M83 M104 I166 L168 Y174 F206M83-I106 HydrophobicContact SD-CD1 4.33Å; M104-I106 HydrophobicContact CE-CD1 4Å; M104-I106 HydrophobicContact CE-CG1 3.93Å; I106-I166 HydrophobicContact CB-CG2 4.41Å; I106-I166 HydrophobicContact CD1-CD1 3.81Å; I106-I166 HydrophobicContact CD1-CG2 4.44Å; I106-I166 HydrophobicContact CG1-CD1 3.9Å; I106-L168 HydrophobicContact CB-CD2 4.34Å; I106-L168 HydrophobicContact CG2-CD1 4.42Å; I106-L168 HydrophobicContact CG2-CD2 3.87Å; I106-Y174 HydrophobicContact CG2-CD1 3.96Å; I106-Y174 HydrophobicContact CG2-CG 4Å; I106-F206 HydrophobicContact CD1-CE1 4.43Å; I106-F206 HydrophobicContact CD1-CZ 4.26Å; I106-F206 HydrophobicContact CG2-CE1 4.33Å; I106-F206 HydrophobicContact CG2-CZ 4.12Å
107V93.9Very high94.2Very high42 Ų4259.4 Ų59.426%0.25530%0.3SS..EExtended strand (participates in β ladder)trans-103.2153.9178.6-61.10000110.9A109 Y174 Q175 R177V107-A109 PolarHBondContact O-N 2.94Å; V107-Y174 CarbonylContact O-C 3.57Å; V107-Y174 WeakPolarHBondContact O-CA 3.44Å; V107-Y174 WeakPolarHBondContact O-CD1 3.5Å; V107-Q175 HydrophobicContact CG2-CB 4.23Å; V107-Q175 PolarHBondContact N-O 3.5Å; V107-Q175 VanDerWaalsContact N-O 3.09Å; V107-Q175 PolarHBondContact O-N 3.01Å; V107-R177 HydrophobicContact CG2-CG 4.34Å
108P95.9Very high94.5Very high84 Ų8458.3 Ų58.355%0.54530%0.303SS..EExtended strand (participates in β ladder)trans-54.4137165.2-22.333.6000110.4Y174P108-Y174 HydrophobicContact CG-CE1 4.22Å
109A95.8Very high94.7Very high46 Ų4662.1 Ų62.138%0.3832%0.322SS..EExtended strand (participates in β ladder)trans-84.7-23.3176.500000112.4V107 K173 Q175V107-A109 PolarHBondContact O-N 2.94Å; A109-K173 HydrophobicContact CB-CB 4.21Å; A109-K173 HydrophobicContact CB-CD 3.9Å; A109-K173 HydrophobicContact CB-CG 3.91Å; A109-K173 PolarHBondContact N-O 2.93Å; A109-Q175 HydrophobicContact CB-CB 4.37Å
110D95.4Very high94.9Very high40 Ų4064.5 Ų64.521%0.21433%0.333CS..EExtended strand (participates in β ladder)trans-162.1175.3179.451.871000110.5H112 Y114 K173D110-H112 WeakPolarHBondContact OD1-CB 3.29Å; D110-H112 IonicContact OD1-CG 2.76Å; D110-H112 PolarHBondContact OD1-N 2.89Å; D110-H112 IonicContact OD1-ND1 3.18Å; D110-H112 PolarHBondContact OD1-ND1 2.73Å; D110-H112 VanDerWaalsContact OD1-ND1 3.15Å; D110-Y114 WeakPolarHBondContact OD1-CE2 3.3Å; D110-Y114 PolarHBondContact OD1-OH 2.89Å; D110-Y114 PolarHBondContact OD2-OH 2.91Å; D110-K173 WeakPolarHBondContact OD2-CD 3.39Å
111D95.1Very high95.1Very high87 Ų8765 Ų6547%0.46533%0.334SS..EExtended strand (participates in β ladder)trans-98.536.6-177.2-165.16.9000111.6K126 A127D111-K126 WeakPolarHBondContact O-CA 3.39Å; D111-K126 WeakPolarHBondContact OD1-CE 3.44Å; D111-K126 WeakPolarHBondContact OD2-CE 3.42Å; D111-K126 IonicContact OD2-NZ 2.84Å; D111-K126 PolarHBondContact OD2-NZ 3.15Å; D111-A127 PolarHBondContact O-N 3.29Å
112H96.1Very high95.3Very high77 Ų7764.6 Ų64.636%0.35634%0.336SS..EExtended strand (participates in β ladder)trans-117.2147.4-177.8-52.1111000114.2D110 Y114 V123 H172D110-H112 WeakPolarHBondContact OD1-CB 3.29Å; D110-H112 IonicContact OD1-CG 2.76Å; D110-H112 PolarHBondContact OD1-N 2.89Å; D110-H112 IonicContact OD1-ND1 3.18Å; D110-H112 PolarHBondContact OD1-ND1 2.73Å; D110-H112 VanDerWaalsContact OD1-ND1 3.15Å; H112-Y114 HydrophobicContact CB-CD2 4.4Å; H112-Y114 HydrophobicContact CB-CE2 3.8Å; H112-V123 HydrophobicContact CB-CG1 4.02Å; H112-V123 HydrophobicContact CB-CG2 3.99Å; H112-H172 PolarHBondContact O-CD2 2.76Å; H112-H172 VanDerWaalsContact O-CD2 3.27Å
113R96.9Very high95.5Very high98 Ų9867.7 Ų67.737%0.3736%0.355SS..EExtended strand (participates in β ladder)trans-101.2132.4165-170.9-176.2-159-100.810.5109.1T124 G125 K126 E128R113-T124 HydrophobicContact CG-CG2 4.24Å; R113-T124 PolarHBondContact O-N 3.28Å; R113-G125 PolarHBondContact N-O 3.36Å; R113-G125 PolarHBondContact O-N 2.81Å; R113-K126 VanDerWaalsContact CB-O 3.31Å; R113-K126 WeakPolarHBondContact CB-O 3.24Å; R113-E128 IonicContact CZ-OE1 3.15Å; R113-E128 IonicContact NE-OE1 2.7Å; R113-E128 PolarHBondContact NE-OE1 2.85Å; R113-E128 IonicContact NH2-OE1 2.74Å; R113-E128 PolarHBondContact NH2-OE1 3.47Å
114Y97.9Very high95.8Very high34 Ų3469.1 Ų69.113%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-104.8161.1-173.6-73.8-87.7000113.2D110 H112 W121 S122 V123 M171 K173 I207D110-Y114 WeakPolarHBondContact OD1-CE2 3.3Å; D110-Y114 PolarHBondContact OD1-OH 2.89Å; D110-Y114 PolarHBondContact OD2-OH 2.91Å; H112-Y114 HydrophobicContact CB-CD2 4.4Å; H112-Y114 HydrophobicContact CB-CE2 3.8Å; Y114-W121 HydrophobicContact CD1-CE3 4.49Å; Y114-W121 HydrophobicContact CG-CE3 4.47Å; Y114-S122 CarbonylContact C-O 3.56Å; Y114-S122 WeakPolarHBondContact CA-O 3.44Å; Y114-V123 HydrophobicContact CD1-CG2 4.27Å; Y114-V123 HydrophobicContact CE1-CG2 3.71Å; Y114-M171 WeakPolarHBondContact CB-O 3.49Å; Y114-M171 PolarHBondContact N-O 2.84Å; Y114-M171 WeakPolarHBondContact O-CB 3.27Å; Y114-K173 HydrophobicContact CD2-CB 4.37Å; Y114-K173 HydrophobicContact CE2-CB 3.81Å; Y114-I207 HydrophobicContact CD1-CD1 4.39Å; Y114-I207 HydrophobicContact CD2-CD1 4.43Å; Y114-I207 HydrophobicContact CG-CD1 4.16Å
115K97.6Very high95.9Very high98 Ų9868.8 Ų68.843%0.42637%0.372SS..EExtended strand (participates in β ladder)trans-137.6152.1162.267.8-177.8174.1-177.10109.8S122 T124K115-S122 VanDerWaalsContact CE-OG 3.31Å; K115-S122 WeakPolarHBondContact CE-OG 3.23Å; K115-S122 WeakPolarHBondContact CG-OG 3.22Å; K115-S122 PolarHBondContact N-O 2.91Å; K115-S122 PolarHBondContact O-N 2.88Å; K115-S122 PolarHBondContact O-OG 3.16Å; K115-T124 HydrophobicContact CB-CG2 4.27Å; K115-T124 HydrophobicContact CG-CG2 4.49Å
116F97.9Very high95.9Very high39 Ų3973.6 Ų73.617%0.17139%0.391CS..EExtended strand (participates in β ladder)trans-108.1123.8171.8-169.2-104000108.9N119 K120 W121 Q213 N214F116-N119 VanDerWaalsContact CE2-C 3.48Å; F116-N119 VanDerWaalsContact CZ-C 3.42Å; F116-N119 VanDerWaalsContact CZ-CA 3.49Å; F116-N119 HydrophobicContact CZ-CB 4.41Å; F116-K120 WeakPolarHBondContact CA-O 3.32Å; F116-W121 HydrophobicContact CB-CD2 4.24Å; F116-W121 HydrophobicContact CB-CE3 4.05Å; F116-W121 HydrophobicContact CB-CH2 4.17Å; F116-W121 HydrophobicContact CB-CZ2 4.3Å; F116-W121 HydrophobicContact CB-CZ3 4.04Å; F116-W121 AromaticContact CD2-CD1 3.79Å; F116-W121 AromaticContact CD2-CD2 3.77Å; F116-W121 HydrophobicContact CD2-CD2 3.77Å; F116-W121 AromaticContact CD2-CE2 3.7Å; F116-W121 HydrophobicContact CD2-CE3 4.41Å; F116-W121 AromaticContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CZ2 4.31Å; F116-W121 AromaticContact CD2-NE1 3.68Å; F116-W121 HydrophobicContact CE2-CG 4.46Å; F116-W121 AromaticContact CE2-NE1 4Å; F116-W121 HydrophobicContact CG-CD2 4.48Å; F116-Q213 HydrophobicContact CB-CB 3.66Å; F116-Q213 HydrophobicContact CB-CG 4.2Å; F116-Q213 HydrophobicContact CD1-CB 3.74Å; F116-Q213 WeakPolarHBondContact CE1-O 3.46Å; F116-Q213 HydrophobicContact CG-CB 3.74Å; F116-N214 HydrophobicContact CE1-CB 4.16Å; F116-N214 HydrophobicContact CE2-CB 3.89Å; F116-N214 HydrophobicContact CZ-CB 3.56Å
117A96.6Very high95.6Very high40 Ų4073.4 Ų73.433%0.33139%0.393SS..EExtended strand (participates in β ladder)trans-151.3152.1177.100000108.1N119 K120A117-N119 PolarHBondContact O-N 3.23Å; A117-N119 VanDerWaalsContact O-N 3.13Å; A117-K120 PolarHBondContact N-O 2.95Å; A117-K120 CarbonylContact O-C 3.59Å; A117-K120 WeakPolarHBondContact O-CA 3.44Å; A117-K120 PolarHBondContact O-N 3.45Å
118D94.7Very high95.3Very high160 Ų16075.4 Ų75.486%0.85640%0.399SS*.THydrogen-bonded Turntrans53.937.4175.8-45.1-43.5000113.6K120D118-K120 PolarHBondContact O-N 3.45Å
119N94.4Very high94.5Very high110 Ų11076.3 Ų76.359%0.58841%0.406SS*.THydrogen-bonded Turntrans56.422.1-171.4-67.2-63.5000115.5F116 A117F116-N119 VanDerWaalsContact CE2-C 3.48Å; F116-N119 VanDerWaalsContact CZ-C 3.42Å; F116-N119 VanDerWaalsContact CZ-CA 3.49Å; F116-N119 HydrophobicContact CZ-CB 4.41Å; A117-N119 PolarHBondContact O-N 3.23Å; A117-N119 VanDerWaalsContact O-N 3.13Å
120K95.7Very high93.3Very high151 Ų15177.4 Ų77.466%0.65742%0.415SS*.EExtended strand (participates in β ladder)trans-131.6138.3-173.1-172.9174.9179.4-179.90112.4F116 A117 D118F116-K120 WeakPolarHBondContact CA-O 3.32Å; A117-K120 PolarHBondContact N-O 2.95Å; A117-K120 CarbonylContact O-C 3.59Å; A117-K120 WeakPolarHBondContact O-CA 3.44Å; A117-K120 PolarHBondContact O-N 3.45Å; D118-K120 PolarHBondContact O-N 3.45Å
121W97.1Very high91.5Very high49 Ų4981.1 Ų81.119%0.18643%0.432CS..EExtended strand (participates in β ladder)trans-77.3130.8168-77.5108.1000110.8E73 Y114 F116 M171 I207 V209 Q213E73-W121 HydrophobicContact CG-CZ2 3.94Å; Y114-W121 HydrophobicContact CD1-CE3 4.49Å; Y114-W121 HydrophobicContact CG-CE3 4.47Å; F116-W121 HydrophobicContact CB-CD2 4.24Å; F116-W121 HydrophobicContact CB-CE3 4.05Å; F116-W121 HydrophobicContact CB-CH2 4.17Å; F116-W121 HydrophobicContact CB-CZ2 4.3Å; F116-W121 HydrophobicContact CB-CZ3 4.04Å; F116-W121 AromaticContact CD2-CD1 3.79Å; F116-W121 AromaticContact CD2-CD2 3.77Å; F116-W121 HydrophobicContact CD2-CD2 3.77Å; F116-W121 AromaticContact CD2-CE2 3.7Å; F116-W121 HydrophobicContact CD2-CE3 4.41Å; F116-W121 AromaticContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CG 3.85Å; F116-W121 HydrophobicContact CD2-CZ2 4.31Å; F116-W121 AromaticContact CD2-NE1 3.68Å; F116-W121 HydrophobicContact CE2-CG 4.46Å; F116-W121 AromaticContact CE2-NE1 4Å; F116-W121 HydrophobicContact CG-CD2 4.48Å; W121-M171 HydrophobicContact CH2-CE 3.87Å; W121-M171 HydrophobicContact CZ3-CE 3.7Å; W121-I207 HydrophobicContact CD2-CD1 3.55Å; W121-I207 HydrophobicContact CE3-CD1 3.67Å; W121-I207 HydrophobicContact CG-CD1 4.04Å; W121-I207 HydrophobicContact CH2-CB 4.33Å; W121-I207 HydrophobicContact CH2-CD1 4.14Å; W121-I207 HydrophobicContact CH2-CG2 3.72Å; W121-I207 HydrophobicContact CZ2-CB 4.37Å; W121-I207 HydrophobicContact CZ2-CD1 4.07Å; W121-I207 HydrophobicContact CZ2-CG2 4.25Å; W121-I207 HydrophobicContact CZ3-CD1 3.96Å; W121-I207 HydrophobicContact CZ3-CG2 4.04Å; W121-V209 HydrophobicContact CH2-CG1 4.01Å; W121-V209 HydrophobicContact CZ2-CG1 4.44Å; W121-Q213 HydrophobicContact CH2-CB 4.25Å; W121-Q213 HydrophobicContact CH2-CG 3.78Å; W121-Q213 HydrophobicContact CZ2-CB 4.06Å; W121-Q213 HydrophobicContact CZ2-CG 4.03Å
122S97Very high89.1Confident40 Ų4082.5 Ų82.528%0.2845%0.446SS..EExtended strand (participates in β ladder)trans-136.1148.5176.757.20000111.3Y114 K115Y114-S122 CarbonylContact C-O 3.56Å; Y114-S122 WeakPolarHBondContact CA-O 3.44Å; K115-S122 VanDerWaalsContact CE-OG 3.31Å; K115-S122 WeakPolarHBondContact CE-OG 3.23Å; K115-S122 WeakPolarHBondContact CG-OG 3.22Å; K115-S122 PolarHBondContact N-O 2.91Å; K115-S122 PolarHBondContact O-N 2.88Å; K115-S122 PolarHBondContact O-OG 3.16Å
123V97.8Very high86.4Confident75 Ų7582.6 Ų82.646%0.45547%0.468SS..EExtended strand (participates in β ladder)trans-72.8136.4171174.80000108.6H112 Y114H112-V123 HydrophobicContact CB-CG1 4.02Å; H112-V123 HydrophobicContact CB-CG2 3.99Å; Y114-V123 HydrophobicContact CD1-CG2 4.27Å; Y114-V123 HydrophobicContact CE1-CG2 3.71Å
124T96.4Very high84Confident67 Ų6786.7 Ų86.741%0.41148%0.483SS..EExtended strand (participates in β ladder)trans-122.8-0.4178.6-1620000113.9R113 K115R113-T124 HydrophobicContact CG-CG2 4.24Å; R113-T124 PolarHBondContact O-N 3.28Å; K115-T124 HydrophobicContact CB-CG2 4.27Å; K115-T124 HydrophobicContact CG-CG2 4.49Å
125G93.3Very high81Confident34 Ų3488.2 Ų88.235%0.35150%0.503SS..EExtended strand (participates in β ladder)trans166.9-178.1177.700000112R113R113-G125 PolarHBondContact N-O 3.36Å; R113-G125 PolarHBondContact O-N 2.81Å
126K93.2Very high78.2Confident149 Ų14988.9 Ų88.965%0.64852%0.519SS*.EExtended strand (participates in β ladder)trans-65153.3168.5-166.5177.5-173.8-179.60110.6D111 R113D111-K126 WeakPolarHBondContact O-CA 3.39Å; D111-K126 WeakPolarHBondContact OD1-CE 3.44Å; D111-K126 WeakPolarHBondContact OD2-CE 3.42Å; D111-K126 IonicContact OD2-NZ 2.84Å; D111-K126 PolarHBondContact OD2-NZ 3.15Å; R113-K126 VanDerWaalsContact CB-O 3.31Å; R113-K126 WeakPolarHBondContact CB-O 3.24Å
127A89.9Confident74.9Confident21 Ų2191.1 Ų91.117%0.17454%0.54CS..PPolyproline II helixtrans-59144.9171.300000112.5D111 H172D111-A127 PolarHBondContact O-N 3.29Å; A127-H172 VanDerWaalsContact CA-NE2 3.34Å; A127-H172 WeakPolarHBondContact CA-NE2 3.31Å; A127-H172 VanDerWaalsContact CB-CD2 3.5Å; A127-H172 WeakPolarHBondContact CB-CD2 3.36Å
128E85.6Confident72.3Confident84 Ų8496 Ų9639%0.39357%0.569SS.*PPolyproline II helixtrans-71131.7165.5-67.6169.4-162.400108.8R113 N169 H172R113-E128 IonicContact CZ-OE1 3.15Å; R113-E128 IonicContact NE-OE1 2.7Å; R113-E128 PolarHBondContact NE-OE1 2.85Å; R113-E128 IonicContact NH2-OE1 2.74Å; R113-E128 PolarHBondContact NH2-OE1 3.47Å; E128-N169 PolarHBondContact O-ND2 3.3Å; E128-H172 PolarHBondContact N-NE2 3.49Å
129P80.6Confident69.5Low104 Ų10490.8 Ų90.868%0.67555%0.552SS**PPolyproline II helixtrans-52.4144177.1-28.435.5000112.9M131 N169P129-M131 PolarHBondContact O-N 2.89Å; P129-N169 PolarHBondContact O-ND2 3.09Å; P129-N169 VanDerWaalsContact O-ND2 3.09Å
130A70.6Confident66.7Low69 Ų6996.5 Ų96.557%0.5757%0.565SS**PPolyproline II helixtrans-59.4128.7174.400000110P132A130-P132 WeakPolarHBondContact O-CD 3.47Å; A130-P132 VanDerWaalsContact O-N 3.09Å
131M57.7Low63.6Low117 Ų11796.6 Ų96.658%0.57657%0.573SS**  trans-41.1110.8-168.5-76.6-64.6-70.900113.9P129 G133 R134P129-M131 PolarHBondContact O-N 2.89Å; M131-G133 PolarHBondContact O-N 3.33Å; M131-R134 PolarHBondContact O-N 3.06Å
132P43.4Very low61.1Low117 Ų117101.7 Ų101.776%0.7661%0.61SS**THydrogen-bonded Turntrans-57.2121.1176.4-26.235.7000110.5A130A130-P132 WeakPolarHBondContact O-CD 3.47Å; A130-P132 VanDerWaalsContact O-N 3.09Å
133G40.6Very low58.4Low79 Ų79103 Ų10381%0.81463%0.629SS**THydrogen-bonded Turntrans122.2-14.6-172.800000115M131M131-G133 PolarHBondContact O-N 3.33Å
134R45.8Very low55.4Low184 Ų184111.7 Ų111.769%0.69465%0.653SS**THydrogen-bonded Turntrans-135.52.9168-82-163.5173.6-153.1-2.2116.2M131 S136M131-R134 PolarHBondContact O-N 3.06Å; R134-S136 PolarHBondContact O-N 3.5Å
135A34.2Very low52.4Low66 Ų66112.2 Ų112.255%0.54567%0.672SS.*PPolyproline II helixtrans-62.8117.3169.400000110.4S137A135-S137 PolarHBondContact O-N 3.01Å
136S39.1Very low49.9Very low111 Ų111119.7 Ų119.778%0.77669%0.69SS**PPolyproline II helixtrans-60.4128.2157.349.20000108R134R134-S136 PolarHBondContact O-N 3.5Å
137S28.1Very low46.8Very low87 Ų87123.9 Ų123.961%0.60870%0.701SS**PPolyproline II helixtrans-54.8130.5-173.538.50000111.9A135 G139A135-S137 PolarHBondContact O-N 3.01Å; S137-G139 PolarHBondContact O-N 3.05Å
138P42Very low43.9Very low143 Ų143127.5 Ų127.593%0.92973%0.731SS**SBendtrans-7667.217432.6-35000110
139G36.8Very low41.2Very low49 Ų49129 Ų12951%0.50575%0.746SS.*SBendtrans149.1127.8-179.400000113.2S137S137-G139 PolarHBondContact O-N 3.05Å
140R34.6Very low39.1Very low230 Ų230130.1 Ų130.187%0.86875%0.751SS**  trans70.2158167.2-55.5-170.6-178-145.4-1.2117.8
141D31.2Very low37.6Very low153 Ų153131.1 Ų131.182%0.81875%0.752SS**  trans63.281.2167.8-56.8-4.3000118.5G143D141-G143 PolarHBondContact O-N 3.29Å
142V45Very low36.8Very low157 Ų157131.4 Ų131.495%0.95277%0.765SS**  trans-49.8123.2144.11750000109.1
143G39.5Very low36.4Very low66 Ų66131.9 Ų131.968%0.6876%0.76SS**  trans128.351.9159.600000118.9D141D141-G143 PolarHBondContact O-N 3.29Å
144R36.1Very low36.2Very low258 Ų258133.8 Ų133.897%0.97476%0.758SS**SBendtrans-153.4148149.1-111.8165-161.8-132.21.2112.2
145G33.9Very low35.9Very low78 Ų78132.2 Ų132.280%0.80477%0.77SS**  trans94.535.5163.100000118.8
146R39.3Very low36.1Very low191 Ų191132 Ų13272%0.72177%0.774SS**  trans-127.8106.2161.9-69.4-171.9-176.1-101.3-1.9111.4A148R146-A148 PolarHBondContact O-N 3.34Å
147R28.8Very low35.9Very low237 Ų237132.5 Ų132.589%0.89478%0.776SS**  trans-74.5110.3173.5-176.2-179.2-176.6-170.11.9108.6
148A27.9Very low36.8Very low97 Ų97131.4 Ų131.480%0.80277%0.766SS**  trans-68.2137.5174.500000110.7R146R146-A148 PolarHBondContact O-N 3.34Å
149V30.4Very low36.8Very low117 Ų117131.7 Ų131.771%0.70975%0.754SS**  trans-138.2109.7168.7-179.20000107.2
150T35.9Very low37.1Very low126 Ų126135.4 Ų135.477%0.77376%0.761SS**  trans-81.9143.7164.239.50000109.2
151P39.6Very low37.6Very low90 Ų90128.9 Ų128.958%0.58474%0.743SS**  -134.3164.2104.637.6-29000113.5
152S39.9Very low38.1Very low123 Ų123127.5 Ų127.586%0.8674%0.742SS**  trans-84.6112.7177.748.40000111.9
153I35.1Very low38.5Very low127 Ų127123.9 Ų123.965%0.65172%0.721SS**  trans-138.3141175.7-63.5-175.7000107.8
154P36.1Very low39.8Very low120 Ų120125.3 Ų125.378%0.77972%0.717SS**  trans-80.2176-16531.4-37.4000116.1G156P154-G156 PolarHBondContact O-N 2.94Å
155T39.7Very low41.9Very low151 Ų151118 Ų11893%0.92669%0.694SS**SBendtrans-37.3106.5-172.8-46.30000116.9
156G39.2Very low44.5Very low62 Ų62117.4 Ų117.464%0.63967%0.672SS**SBendtrans167.3120164.600000112.5P154P154-G156 PolarHBondContact O-N 2.94Å
157C34.6Very low46.9Very low120 Ų120113.1 Ų113.181%0.81166%0.662SS**SBendtrans60107.1177.8-61.30000115.9F159C157-F159 PolarHBondContact O-N 3.08Å
158P46.3Very low50Low64 Ų64102.9 Ų102.942%0.41663%0.626SS.*  trans-67.7124.6176.527.7-34.3000112.4L102 L160L102-P158 HydrophobicContact CD1-CB 4.07Å; L102-P158 HydrophobicContact CD1-CG 4.25Å; L102-P158 HydrophobicContact CD2-CB 4.36Å; L102-P158 HydrophobicContact CD2-CG 3.8Å; P158-L160 PolarHBondContact O-N 3.01Å
159F42.3Very low53.1Low150 Ų15099.1 Ų99.166%0.65859%0.592SS**  trans-40.1112.9178.2-62.2-99.1000114.4C157C157-F159 PolarHBondContact O-N 3.08Å
160L43.5Very low56.3Low127 Ų12795.1 Ų95.167%0.66557%0.569SS**BIsolated β-bridgetrans-80.3113.7155.5-65.1178.9000108L102 P158L102-L160 HydrophobicContact CB-CD2 4.35Å; P158-L160 PolarHBondContact O-N 3.01Å
161L45Very low59.2Low92 Ų9290.6 Ų90.648%0.48254%0.539SS..  trans-59.1151.2168.7-70.2172.2000110I101 V163I101-L161 HydrophobicContact CG2-CD1 4.48Å; L161-V163 PolarHBondContact O-N 3.07Å
162P42.5Very low62Low124 Ų12486.6 Ų86.681%0.80551%0.513SS*.  trans-56.6104.2173.2-24.234.4000110.5P164P162-P164 WeakPolarHBondContact O-CD 3.17Å
163V53.5Low64.7Low82 Ų8284.4 Ų84.450%0.49749%0.488SS..  trans-69.3118-178.4-174.60000107.5L161 I166L161-V163 PolarHBondContact O-N 3.07Å; V163-I166 HydrophobicContact CG1-CD1 4.03Å; V163-I166 HydrophobicContact CG1-CG1 4.08Å
164P66.3Low67.7Low95 Ų9579.1 Ų79.162%0.61746%0.46SS*.  trans-61.2142.9175.127.3-34.1000108.9P162 I166P162-P164 WeakPolarHBondContact O-CD 3.17Å; P164-I166 PolarHBondContact O-N 3.32Å
165Q80.8Confident70.7Confident105 Ų10574.6 Ų74.649%0.49143%0.428SS..  trans-50.2110.4-177.3-179.1-179.8-13.800110.7K78 I167K78-Q165 PolarHBondContact O-NE2 3.31Å; Q165-I167 PolarHBondContact O-N 2.85Å
166I87.4Confident73.4Confident65 Ų6567.4 Ų67.433%0.33338%0.384SS..  trans-70.8127.2-179.5-56.4179.1000107.7M104 I106 V163 P164 L168M104-I166 HydrophobicContact CE-CD1 4.2Å; I106-I166 HydrophobicContact CB-CG2 4.41Å; I106-I166 HydrophobicContact CD1-CD1 3.81Å; I106-I166 HydrophobicContact CD1-CG2 4.44Å; I106-I166 HydrophobicContact CG1-CD1 3.9Å; V163-I166 HydrophobicContact CG1-CD1 4.03Å; V163-I166 HydrophobicContact CG1-CG1 4.08Å; P164-I166 PolarHBondContact O-N 3.32Å; I166-L168 HydrophobicContact CG2-CD2 3.79Å; I166-L168 HydrophobicContact CG2-CG 4.19Å
167I90.3Very high76.1Confident101 Ų10167.8 Ų67.852%0.51837%0.367SS..  trans-95.9128176.9-56.6179.5000107.5Q165Q165-I167 PolarHBondContact O-N 2.85Å
168L93.3Very high79Confident23 Ų2362.4 Ų62.412%0.1233%0.329CS..  trans-127.6144.2178.8-56176.1000108.3I76 I106 I166 Y174 F206 A208I76-L168 WeakPolarHBondContact CD1-O 3.46Å; I76-L168 HydrophobicContact CG2-CB 4.42Å; I76-L168 HydrophobicContact CG2-CD1 4.38Å; I106-L168 HydrophobicContact CB-CD2 4.34Å; I106-L168 HydrophobicContact CG2-CD1 4.42Å; I106-L168 HydrophobicContact CG2-CD2 3.87Å; I166-L168 HydrophobicContact CG2-CD2 3.79Å; I166-L168 HydrophobicContact CG2-CG 4.19Å; L168-Y174 HydrophobicContact CB-CD2 4.42Å; L168-Y174 HydrophobicContact CB-CE2 3.81Å; L168-Y174 HydrophobicContact CD1-CD2 4.26Å; L168-Y174 HydrophobicContact CD1-CE2 4.47Å; L168-Y174 HydrophobicContact CD2-CD1 3.8Å; L168-Y174 HydrophobicContact CD2-CD2 4.34Å; L168-Y174 HydrophobicContact CD2-CE1 3.69Å; L168-Y174 HydrophobicContact CD2-CE2 4.22Å; L168-Y174 HydrophobicContact CD2-CG 4.14Å; L168-Y174 HydrophobicContact CG-CE2 4.38Å; L168-F206 HydrophobicContact CD1-CE2 3.87Å; L168-F206 HydrophobicContact CD1-CZ 3.75Å; L168-A208 HydrophobicContact CB-CB 4.09Å; L168-A208 HydrophobicContact CD1-CB 4.24Å
169N94.2Very high81.2Confident17 Ų1760.9 Ų60.99%0.09132%0.317CS..  trans-78.3135.8173.7-65.8-4.2000108.3E128 P129 H172 Y174E128-N169 PolarHBondContact O-ND2 3.3Å; P129-N169 PolarHBondContact O-ND2 3.09Å; P129-N169 VanDerWaalsContact O-ND2 3.09Å; N169-H172 WeakPolarHBondContact CB-ND1 3.32Å; N169-Y174 PolarHBondContact N-OH 3.31Å
170S96.5Very high83.6Confident33 Ų3353.8 Ų53.823%0.23129%0.286CS..THydrogen-bonded Turntrans-65.5150.6177.4-162.30000110.8H172 A208 T210S170-H172 VanDerWaalsContact C-N 3.27Å; S170-H172 PolarHBondContact O-CE1 3.24Å; S170-H172 PolarHBondContact O-N 3.14Å; S170-H172 PolarHBondContact O-ND1 3.41Å; S170-A208 CarbonylContact C-O 3.57Å; S170-T210 PolarHBondContact OG-N 3.3Å
171M97.4Very high85.9Confident31 Ų3149.3 Ų49.315%0.15326%0.264CS..THydrogen-bonded Turntrans62.626.5-179.8-45.5-56.7-7700115Y114 W121 A208 V209 Q213Y114-M171 WeakPolarHBondContact CB-O 3.49Å; Y114-M171 PolarHBondContact N-O 2.84Å; Y114-M171 WeakPolarHBondContact O-CB 3.27Å; W121-M171 HydrophobicContact CH2-CE 3.87Å; W121-M171 HydrophobicContact CZ3-CE 3.7Å; M171-A208 WeakPolarHBondContact CA-O 3.23Å; M171-A208 PolarHBondContact N-O 2.79Å; M171-V209 HydrophobicContact SD-CG1 4.02Å; M171-Q213 HydrophobicContact CE-CG 4.27Å
172H97.4Very high88.1Confident7 Ų747.6 Ų47.63%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-118.6151174.7-64.981.2000110.8H112 A127 E128 N169 S170 Y174 I207 A208H112-H172 PolarHBondContact O-CD2 2.76Å; H112-H172 VanDerWaalsContact O-CD2 3.27Å; A127-H172 VanDerWaalsContact CA-NE2 3.34Å; A127-H172 WeakPolarHBondContact CA-NE2 3.31Å; A127-H172 VanDerWaalsContact CB-CD2 3.5Å; A127-H172 WeakPolarHBondContact CB-CD2 3.36Å; E128-H172 PolarHBondContact N-NE2 3.49Å; N169-H172 WeakPolarHBondContact CB-ND1 3.32Å; S170-H172 VanDerWaalsContact C-N 3.27Å; S170-H172 PolarHBondContact O-CE1 3.24Å; S170-H172 PolarHBondContact O-N 3.14Å; S170-H172 PolarHBondContact O-ND1 3.41Å; H172-Y174 HydrophobicContact CB-CE2 3.68Å; H172-Y174 VanDerWaalsContact O-CD2 3.26Å; H172-Y174 WeakPolarHBondContact O-CD2 3.33Å; H172-Y174 WeakPolarHBondContact O-CE2 3.4Å; H172-I207 WeakPolarHBondContact O-CA 3.25Å; H172-A208 PolarHBondContact O-N 3.22Å
173K98Very high90.4Very high76 Ų7641.9 Ų41.933%0.3322%0.215SC..EExtended strand (participates in β ladder)trans-94.3138.5-178.3-163.5-167.6-178-1720111.3A109 D110 Y114 F206 I207A109-K173 HydrophobicContact CB-CB 4.21Å; A109-K173 HydrophobicContact CB-CD 3.9Å; A109-K173 HydrophobicContact CB-CG 3.91Å; A109-K173 PolarHBondContact N-O 2.93Å; D110-K173 WeakPolarHBondContact OD2-CD 3.39Å; Y114-K173 HydrophobicContact CD2-CB 4.37Å; Y114-K173 HydrophobicContact CE2-CB 3.81Å; K173-F206 CarbonylContact C-O 3.48Å; K173-F206 WeakPolarHBondContact CA-O 3.48Å; K173-I207 HydrophobicContact CB-CG1 4.12Å; K173-I207 HydrophobicContact CG-CG1 4.07Å
174Y98.3Very high92.1Very high16 Ų1639 Ų396%0.06320%0.197CC..EExtended strand (participates in β ladder)trans-134.3151.6-172-69.1-75.4000112.6I106 V107 P108 L168 N169 H172 A205 F206 A208I106-Y174 HydrophobicContact CG2-CD1 3.96Å; I106-Y174 HydrophobicContact CG2-CG 4Å; V107-Y174 CarbonylContact O-C 3.57Å; V107-Y174 WeakPolarHBondContact O-CA 3.44Å; V107-Y174 WeakPolarHBondContact O-CD1 3.5Å; P108-Y174 HydrophobicContact CG-CE1 4.22Å; L168-Y174 HydrophobicContact CB-CD2 4.42Å; L168-Y174 HydrophobicContact CB-CE2 3.81Å; L168-Y174 HydrophobicContact CD1-CD2 4.26Å; L168-Y174 HydrophobicContact CD1-CE2 4.47Å; L168-Y174 HydrophobicContact CD2-CD1 3.8Å; L168-Y174 HydrophobicContact CD2-CD2 4.34Å; L168-Y174 HydrophobicContact CD2-CE1 3.69Å; L168-Y174 HydrophobicContact CD2-CE2 4.22Å; L168-Y174 HydrophobicContact CD2-CG 4.14Å; L168-Y174 HydrophobicContact CG-CE2 4.38Å; N169-Y174 PolarHBondContact N-OH 3.31Å; H172-Y174 HydrophobicContact CB-CE2 3.68Å; H172-Y174 VanDerWaalsContact O-CD2 3.26Å; H172-Y174 WeakPolarHBondContact O-CD2 3.33Å; H172-Y174 WeakPolarHBondContact O-CE2 3.4Å; Y174-A205 VanDerWaalsContact O-CA 3.25Å; Y174-A205 WeakPolarHBondContact O-CA 3.4Å; Y174-F206 HydrophobicContact CD2-CE2 4.22Å; Y174-F206 PolarHBondContact N-O 3.13Å; Y174-F206 PolarHBondContact O-N 3.48Å; Y174-A208 HydrophobicContact CD2-CB 3.84Å; Y174-A208 HydrophobicContact CE2-CB 3.72Å
175Q97.9Very high93.1Very high25 Ų2543.1 Ų43.112%0.11721%0.208CC..EExtended strand (participates in β ladder)trans-124.2113.9176.4177.261.170.700109.7V107 A109 R177 V200 F201 T204V107-Q175 HydrophobicContact CG2-CB 4.23Å; V107-Q175 PolarHBondContact N-O 3.5Å; V107-Q175 VanDerWaalsContact N-O 3.09Å; V107-Q175 PolarHBondContact O-N 3.01Å; A109-Q175 HydrophobicContact CB-CB 4.37Å; Q175-R177 HydrophobicContact CG-CG 4.46Å; Q175-V200 HydrophobicContact CG-CG1 3.47Å; Q175-V200 VanDerWaalsContact CG-CG1 3.47Å; Q175-F201 PolarHBondContact NE2-O 3.38Å; Q175-T204 PolarHBondContact NE2-OG1 3.38Å
176P96.6Very high93.4Very high0 Ų045.3 Ų45.30%022%0.223CC..EExtended strand (participates in β ladder)trans-64.6141.7166.7-21.733.7000111.8Y87 D105 T204 F206Y87-P176 HydrophobicContact CD2-CB 4Å; Y87-P176 HydrophobicContact CD2-CG 4.49Å; Y87-P176 HydrophobicContact CE2-CB 3.7Å; D105-P176 WeakPolarHBondContact O-CA 3.31Å; P176-T204 WeakPolarHBondContact CD-O 3.35Å; P176-F206 HydrophobicContact CG-CD1 4.2Å; P176-F206 HydrophobicContact CG-CE1 3.92Å
177R95.5Very high93.2Very high71 Ų7144.5 Ų44.527%0.26822%0.22SC..EExtended strand (participates in β ladder)trans-132.2137.5174.8-52.4162.559-139.116.6109.4M104 D105 V107 Q175 H179 T198 V200M104-R177 VanDerWaalsContact CA-O 3.31Å; M104-R177 WeakPolarHBondContact CA-O 3.36Å; M104-R177 WeakPolarHBondContact CG-O 3.29Å; D105-R177 PolarHBondContact N-O 2.82Å; D105-R177 PolarHBondContact O-N 3.16Å; D105-R177 VanDerWaalsContact OD1-CB 3.3Å; D105-R177 WeakPolarHBondContact OD1-CB 3.47Å; D105-R177 VanDerWaalsContact OD1-CD 3.29Å; D105-R177 WeakPolarHBondContact OD1-CD 3.31Å; D105-R177 IonicContact OD1-NH1 3.52Å; D105-R177 IonicContact OD2-CZ 3.92Å; D105-R177 IonicContact OD2-NH1 2.73Å; D105-R177 PolarHBondContact OD2-NH1 3.04Å; V107-R177 HydrophobicContact CG2-CG 4.34Å; Q175-R177 HydrophobicContact CG-CG 4.46Å; R177-H179 PolarHBondContact NH1-CE1 2.63Å; R177-T198 HydrophobicContact CB-CG2 4.06Å; R177-V200 HydrophobicContact CG-CG2 4.09Å
178L95.1Very high92.9Very high6 Ų641 Ų413%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-97.2128.5171.4-179.477.9000109.1V56 Y87 V89 I180 T198 H199V56-L178 HydrophobicContact CB-CD2 4.5Å; V56-L178 HydrophobicContact CG1-CD2 3.61Å; V56-L178 HydrophobicContact CG2-CD2 4.11Å; Y87-L178 HydrophobicContact CE1-CB 4.42Å; V89-L178 HydrophobicContact CG1-CD2 4.44Å; V89-L178 HydrophobicContact CG2-CD1 4.43Å; V89-L178 HydrophobicContact CG2-CD2 3.98Å; L178-I180 HydrophobicContact CD2-CD1 4.33Å; L178-I180 HydrophobicContact CD2-CG1 4.29Å; L178-T198 CarbonylContact O-C 3.58Å; L178-T198 VanDerWaalsContact O-CA 3.27Å; L178-T198 WeakPolarHBondContact O-CA 3.37Å; L178-H199 PolarHBondContact N-O 3.39Å; L178-H199 PolarHBondContact O-N 2.84Å
179H92.8Very high92.6Very high33 Ų3343.9 Ų43.915%0.15322%0.22CC..EExtended strand (participates in β ladder)trans-108.4135.7170.4-54.7-78.6000110.3L102 L103 D105 R177 C197 T198L102-H179 WeakPolarHBondContact CA-O 3.38Å; L103-H179 HydrophobicContact CB-CB 4.28Å; L103-H179 HydrophobicContact CD1-CB 4.11Å; L103-H179 PolarHBondContact N-O 2.95Å; L103-H179 PolarHBondContact O-N 3.25Å; D105-H179 IonicContact OD1-NE2 2.63Å; D105-H179 IonicContact OD2-NE2 2.73Å; D105-H179 PolarHBondContact OD2-NE2 3.3Å; R177-H179 PolarHBondContact NH1-CE1 2.63Å; H179-C197 WeakPolarHBondContact CA-O 3.18Å; H179-T198 VanDerWaalsContact CE1-CG2 3.44Å; H179-T198 WeakPolarHBondContact CE1-CG2 3.47Å; H179-T198 PolarHBondContact CE1-OG1 3.24Å; H179-T198 WeakPolarHBondContact ND1-CG2 3.29Å; H179-T198 PolarHBondContact ND1-OG1 3.18Å
180I93.3Very high91.9Very high0 Ų046.6 Ų46.60%025%0.251CS..EExtended strand (participates in β ladder)trans-118.2124.4169.1-56.5173.1000106.3M51 I54 V56 V91 L94 Y100 L102 L178 F196 C197M51-I180 HydrophobicContact CE-CB 4.11Å; M51-I180 HydrophobicContact CE-CG2 3.87Å; I54-I180 HydrophobicContact CG2-CD1 3.8Å; V56-I180 HydrophobicContact CG2-CD1 3.82Å; V91-I180 HydrophobicContact CG1-CD1 3.92Å; V91-I180 HydrophobicContact CG2-CD1 4.43Å; L94-I180 HydrophobicContact CD2-CG2 4.26Å; Y100-I180 HydrophobicContact CD1-CG2 3.72Å; Y100-I180 HydrophobicContact CE1-CG2 4.45Å; Y100-I180 HydrophobicContact CG-CG2 4.43Å; L102-I180 HydrophobicContact CD1-CG1 4.18Å; L102-I180 HydrophobicContact CD1-CG2 4.12Å; L102-I180 HydrophobicContact CG-CG1 4.15Å; L178-I180 HydrophobicContact CD2-CD1 4.33Å; L178-I180 HydrophobicContact CD2-CG1 4.29Å; I180-F196 CarbonylContact O-C 3.54Å; I180-F196 VanDerWaalsContact O-CA 3.27Å; I180-F196 WeakPolarHBondContact O-CA 3.35Å; I180-C197 PolarHBondContact N-O 3.3Å; I180-C197 PolarHBondContact O-N 3.09Å
181V92.5Very high91.3Very high34 Ų3447.1 Ų47.121%0.20626%0.255CS..EExtended strand (participates in β ladder)trans-111.3123.7174.9-176.30000108.3Y100 I101 L103 F189 F196Y100-V181 CarbonylContact C-O 3.43Å; Y100-V181 VanDerWaalsContact CA-O 3.22Å; Y100-V181 WeakPolarHBondContact CA-O 3.38Å; I101-V181 HydrophobicContact CB-CB 4.43Å; I101-V181 PolarHBondContact N-O 2.91Å; I101-V181 PolarHBondContact O-N 3.5Å; L103-V181 HydrophobicContact CD1-CG2 3.79Å; V181-F189 HydrophobicContact CG1-CD1 4.25Å; V181-F196 HydrophobicContact CG2-CB 4.13Å
182K91.5Very high90.5Very high56 Ų5655.3 Ų55.324%0.24329%0.29CS..EExtended strand (participates in β ladder)trans-90.1132.1179-176.2-173173-170.20109.4G50 M51 T98 Y100 T194 A195G50-K182 PolarHBondContact O-NZ 2.87Å; M51-K182 HydrophobicContact CE-CB 4.28Å; M51-K182 HydrophobicContact CG-CB 4.48Å; M51-K182 HydrophobicContact CG-CD 4.12Å; M51-K182 HydrophobicContact SD-CB 4.09Å; T98-K182 HydrophobicContact CG2-CG 3.92Å; Y100-K182 HydrophobicContact CD1-CB 3.98Å; Y100-K182 HydrophobicContact CD1-CG 4.28Å; Y100-K182 HydrophobicContact CE1-CB 3.7Å; Y100-K182 HydrophobicContact CE1-CD 4.39Å; Y100-K182 HydrophobicContact CE1-CG 3.63Å; K182-T194 WeakPolarHBondContact O-CB 3.26Å; K182-A195 HydrophobicContact CB-CB 4.45Å; K182-A195 HydrophobicContact CD-CB 4.48Å; K182-A195 PolarHBondContact N-O 2.87Å
183A90.4Very high89.7Confident3 Ų359.9 Ų59.93%0.02531%0.314CS..  trans-65.9159.4170.800000111.7T98 K99 G188 F189T98-A183 HydrophobicContact CG2-CB 4.13Å; K99-A183 HydrophobicContact CB-CB 4Å; K99-A183 VanDerWaalsContact O-CB 3.25Å; K99-A183 WeakPolarHBondContact O-CB 3.11Å; K99-A183 PolarHBondContact O-N 3.43Å; A183-G188 VanDerWaalsContact CA-O 3.23Å; A183-G188 WeakPolarHBondContact CA-O 3.48Å; A183-G188 VanDerWaalsContact CB-O 3.27Å; A183-G188 WeakPolarHBondContact CB-O 3.42Å; A183-F189 HydrophobicContact CB-CD1 4.21Å; A183-F189 HydrophobicContact CB-CE1 3.71Å; A183-F189 HydrophobicContact CB-CE2 4.39Å; A183-F189 HydrophobicContact CB-CZ 3.81Å
184D89.1Confident89.2Confident22 Ų2257.7 Ų57.712%0.11831%0.307CS..  trans-74.2-178169.557.637.4000112.5N186 N187 G188 S191 N193 T194D184-N186 VanDerWaalsContact C-N 3.29Å; D184-N186 PolarHBondContact O-N 3.35Å; D184-N186 PolarHBondContact OD1-N 3.44Å; D184-N187 VanDerWaalsContact O-CA 3.3Å; D184-N187 WeakPolarHBondContact O-CA 3.49Å; D184-N187 PolarHBondContact O-N 2.85Å; D184-N187 PolarHBondContact OD1-N 2.84Å; D184-N187 VanDerWaalsContact OD1-N 3.08Å; D184-G188 PolarHBondContact N-O 3.2Å; D184-G188 VanDerWaalsContact N-O 3.09Å; D184-G188 WeakPolarHBondContact OD1-CA 2.8Å; D184-G188 PolarHBondContact OD1-N 3.27Å; D184-S191 WeakPolarHBondContact CB-OG 3.37Å; D184-S191 VanDerWaalsContact OD2-CB 3.27Å; D184-S191 WeakPolarHBondContact OD2-CB 3.38Å; D184-S191 PolarHBondContact OD2-OG 3.07Å; D184-N193 HydrophobicContact CB-CB 4.12Å; D184-T194 HydrophobicContact CB-CG2 4.47Å
185E86.7Confident88.7Confident181 Ų18157.3 Ų57.385%0.84631%0.308SS*.THydrogen-bonded Turntrans-64.8-31.7-179.1-64.6173177.600112.6N187E185-N187 PolarHBondContact O-N 2.9Å
186N86.7Confident88.2Confident152 Ų15260.4 Ų60.481%0.81332%0.321SS*.THydrogen-bonded Turntrans-76.84.1170.8-58.2103.2000112.6D184 G188D184-N186 VanDerWaalsContact C-N 3.29Å; D184-N186 PolarHBondContact O-N 3.35Å; D184-N186 PolarHBondContact OD1-N 3.44Å; N186-G188 PolarHBondContact O-N 3.22Å
187N83.8Confident88Confident48 Ų4860.4 Ų60.426%0.25732%0.321SS..SBendtrans62.331.6176.9-141.9-2.7000112.8K99 D184 E185K99-N187 WeakPolarHBondContact CB-OD1 3.5Å; K99-N187 WeakPolarHBondContact CD-OD1 3.2Å; K99-N187 WeakPolarHBondContact CE-ND2 3.5Å; K99-N187 WeakPolarHBondContact CG-OD1 3.34Å; K99-N187 PolarHBondContact N-OD1 2.99Å; K99-N187 PolarHBondContact NZ-O 2.8Å; D184-N187 VanDerWaalsContact O-CA 3.3Å; D184-N187 WeakPolarHBondContact O-CA 3.49Å; D184-N187 PolarHBondContact O-N 2.85Å; D184-N187 PolarHBondContact OD1-N 2.84Å; D184-N187 VanDerWaalsContact OD1-N 3.08Å; E185-N187 PolarHBondContact O-N 2.9Å
188G84.5Confident87.9Confident26 Ų2657.3 Ų57.327%0.26831%0.31SS..  trans-105.5175.7176.400000113.2A183 D184 N186A183-G188 VanDerWaalsContact CA-O 3.23Å; A183-G188 WeakPolarHBondContact CA-O 3.48Å; A183-G188 VanDerWaalsContact CB-O 3.27Å; A183-G188 WeakPolarHBondContact CB-O 3.42Å; D184-G188 PolarHBondContact N-O 3.2Å; D184-G188 VanDerWaalsContact N-O 3.09Å; D184-G188 WeakPolarHBondContact OD1-CA 2.8Å; D184-G188 PolarHBondContact OD1-N 3.27Å; N186-G188 PolarHBondContact O-N 3.22Å
189F87.6Confident87.8Confident85 Ų8558 Ų5837%0.37331%0.313SS..SBendtrans-132.2141.5179.9-63.1-77.9000110.8K99 I101 V181 A183K99-F189 HydrophobicContact CB-CE2 4.2Å; K99-F189 HydrophobicContact CB-CZ 3.81Å; K99-F189 HydrophobicContact CD-CE2 4.46Å; I101-F189 HydrophobicContact CD1-CD1 3.81Å; I101-F189 HydrophobicContact CD1-CD2 3.87Å; I101-F189 HydrophobicContact CD1-CE1 3.81Å; I101-F189 HydrophobicContact CD1-CE2 3.87Å; I101-F189 HydrophobicContact CD1-CG 3.84Å; I101-F189 HydrophobicContact CD1-CZ 3.84Å; I101-F189 HydrophobicContact CG1-CD1 4.31Å; I101-F189 HydrophobicContact CG1-CD2 4.48Å; I101-F189 HydrophobicContact CG1-CE1 3.78Å; I101-F189 HydrophobicContact CG1-CE2 3.97Å; I101-F189 HydrophobicContact CG1-CZ 3.59Å; V181-F189 HydrophobicContact CG1-CD1 4.25Å; A183-F189 HydrophobicContact CB-CD1 4.21Å; A183-F189 HydrophobicContact CB-CE1 3.71Å; A183-F189 HydrophobicContact CB-CE2 4.39Å; A183-F189 HydrophobicContact CB-CZ 3.81Å
190G79.2Confident88Confident73 Ų7357.7 Ų57.775%0.75331%0.313SS*.SBendtrans99.31.2178.600000115.4
191S82.6Confident88.2Confident44 Ų4457.9 Ų57.931%0.30831%0.314SS..SBendtrans-79.8161.7167.9740000111.5D184 N193 T194D184-S191 WeakPolarHBondContact CB-OG 3.37Å; D184-S191 VanDerWaalsContact OD2-CB 3.27Å; D184-S191 WeakPolarHBondContact OD2-CB 3.38Å; D184-S191 PolarHBondContact OD2-OG 3.07Å; S191-N193 PolarHBondContact O-N 2.86Å; S191-N193 PolarHBondContact OG-N 2.86Å; S191-T194 PolarHBondContact O-N 2.8Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-T194 PolarHBondContact O-OG1 3.33Å; S191-T194 VanDerWaalsContact O-OG1 3.05Å
192K81Confident88.4Confident204 Ų20456.8 Ų56.889%0.88731%0.308SS*.THydrogen-bonded Turntrans-61.5-13.7175.471.2-178.5-176.31760114.2
193N81.2Confident88.7Confident102 Ų10254.1 Ų54.155%0.54530%0.296SS..THydrogen-bonded Turntrans-92-2.8-179.8-68.413.9000112.7D184 S191 A195D184-N193 HydrophobicContact CB-CB 4.12Å; S191-N193 PolarHBondContact O-N 2.86Å; S191-N193 PolarHBondContact OG-N 2.86Å; N193-A195 PolarHBondContact O-N 3.18Å
194T86.7Confident89.1Confident30 Ų3054 Ų5418%0.18430%0.295CS..  trans-76.5116174.761.40000111.5K182 D184 S191K182-T194 WeakPolarHBondContact O-CB 3.26Å; D184-T194 HydrophobicContact CB-CG2 4.47Å; S191-T194 PolarHBondContact O-N 2.8Å; S191-T194 VanDerWaalsContact O-N 3.15Å; S191-T194 PolarHBondContact O-OG1 3.33Å; S191-T194 VanDerWaalsContact O-OG1 3.05Å
195A87.6Confident89.5Confident8 Ų853.5 Ų53.57%0.06629%0.294CS..  trans-85.9152173.500000111.4Q48 M51 K182 N193Q48-A195 HydrophobicContact CB-CB 4.1Å; M51-A195 HydrophobicContact CG-CB 3.75Å; M51-A195 HydrophobicContact SD-CB 3.58Å; M51-A195 VanDerWaalsContact SD-CB 3.58Å; K182-A195 HydrophobicContact CB-CB 4.45Å; K182-A195 HydrophobicContact CD-CB 4.48Å; K182-A195 PolarHBondContact N-O 2.87Å; N193-A195 PolarHBondContact O-N 3.18Å
196F88.9Confident90.1Very high90 Ų9045.1 Ų45.140%0.39526%0.255SS..EExtended strand (participates in β ladder)trans-129.8150.4165.769.2-104.8000112.1F46 Q48 M51 I180 V181F46-F196 HydrophobicContact CD1-CD2 4.39Å; F46-F196 AromaticContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CD1-CE2 3.8Å; F46-F196 HydrophobicContact CE1-CD2 4.39Å; F46-F196 AromaticContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CE2 3.62Å; F46-F196 HydrophobicContact CE1-CZ 4.12Å; Q48-F196 WeakPolarHBondContact CB-O 3.45Å; Q48-F196 WeakPolarHBondContact CG-O 3.37Å; Q48-F196 PolarHBondContact N-O 3.05Å; M51-F196 WeakPolarHBondContact SD-CA 3.43Å; I180-F196 CarbonylContact O-C 3.54Å; I180-F196 VanDerWaalsContact O-CA 3.27Å; I180-F196 WeakPolarHBondContact O-CA 3.35Å; V181-F196 HydrophobicContact CG2-CB 4.13Å
197C90.9Very high90.6Very high0 Ų038.6 Ų38.60%022%0.22CC..EExtended strand (participates in β ladder)trans-122.7157.116375.20000110.7F46 T47 M51 H179 I180 H199F46-C197 CarbonylContact O-C 3.6Å; F46-C197 WeakPolarHBondContact O-CA 3.46Å; F46-C197 WeakPolarHBondContact O-CB 3.34Å; T47-C197 HydrophobicContact CG2-CB 4.13Å; M51-C197 HydrophobicContact CE-CB 3.91Å; M51-C197 VanDerWaalsContact CE-SG 3.53Å; M51-C197 HydrophobicContact SD-CB 4.21Å; M51-C197 PolarHBondContact SD-N 2.94Å; H179-C197 WeakPolarHBondContact CA-O 3.18Å; I180-C197 PolarHBondContact N-O 3.3Å; I180-C197 PolarHBondContact O-N 3.09Å; C197-H199 PolarHBondContact SG-NE2 2.77Å
198T93.9Very high91.3Very high7 Ų736.3 Ų36.34%0.04321%0.207CC..EExtended strand (participates in β ladder)trans-131.8125.1177.5-56.40000109.1A45 F46 R177 L178 H179 V200A45-T198 CarbonylContact C-O 3.48Å; A45-T198 VanDerWaalsContact CA-O 3.31Å; A45-T198 WeakPolarHBondContact CA-O 3.41Å; F46-T198 PolarHBondContact N-O 2.97Å; F46-T198 PolarHBondContact O-N 2.99Å; R177-T198 HydrophobicContact CB-CG2 4.06Å; L178-T198 CarbonylContact O-C 3.58Å; L178-T198 VanDerWaalsContact O-CA 3.27Å; L178-T198 WeakPolarHBondContact O-CA 3.37Å; H179-T198 VanDerWaalsContact CE1-CG2 3.44Å; H179-T198 WeakPolarHBondContact CE1-CG2 3.47Å; H179-T198 PolarHBondContact CE1-OG1 3.24Å; H179-T198 WeakPolarHBondContact ND1-CG2 3.29Å; H179-T198 PolarHBondContact ND1-OG1 3.18Å; T198-V200 HydrophobicContact CG2-CG2 4.47Å
199H93.7Very high92Very high19 Ų1935 Ų359%0.08820%0.195CC..EExtended strand (participates in β ladder)trans-111.6134.7177.2-63-90000110.5V56 L178 C197V56-H199 HydrophobicContact CB-CB 4.42Å; V56-H199 VanDerWaalsContact CG2-CD2 3.42Å; V56-H199 WeakPolarHBondContact CG2-CD2 3.45Å; L178-H199 PolarHBondContact N-O 3.39Å; L178-H199 PolarHBondContact O-N 2.84Å; C197-H199 PolarHBondContact SG-NE2 2.77Å
200V96.1Very high92.5Very high27 Ų2735.5 Ų35.516%0.16421%0.205CC..EExtended strand (participates in β ladder)trans-122.6131.5-178.7-168.40000109.5A44 Q175 R177 T198 P202A44-V200 HydrophobicContact CB-CB 4.32Å; A44-V200 HydrophobicContact CB-CG2 4.44Å; A44-V200 WeakPolarHBondContact O-CB 3.43Å; A44-V200 WeakPolarHBondContact O-CG2 3.49Å; A44-V200 PolarHBondContact O-N 3.42Å; Q175-V200 HydrophobicContact CG-CG1 3.47Å; Q175-V200 VanDerWaalsContact CG-CG1 3.47Å; R177-V200 HydrophobicContact CG-CG2 4.09Å; T198-V200 HydrophobicContact CG2-CG2 4.47Å; V200-P202 WeakPolarHBondContact O-CD 3.3Å
201F97.2Very high93.3Very high5 Ų535.1 Ų35.12%0.02219%0.19CC..  trans-113.198.2176.4-65.2-59.1000108.7Q43 V56 L58 Y87 V89 Q175 E203 T204Q43-F201 HydrophobicContact CG-CD1 4.23Å; V56-F201 HydrophobicContact CB-CZ 4.3Å; V56-F201 HydrophobicContact CG1-CE2 4.03Å; V56-F201 HydrophobicContact CG1-CZ 3.84Å; L58-F201 HydrophobicContact CB-CD1 4.15Å; L58-F201 HydrophobicContact CB-CD2 4.12Å; L58-F201 HydrophobicContact CB-CE1 4.15Å; L58-F201 HydrophobicContact CB-CE2 4.13Å; L58-F201 HydrophobicContact CB-CG 4.15Å; L58-F201 HydrophobicContact CB-CZ 4.15Å; L58-F201 HydrophobicContact CD1-CD2 4.07Å; L58-F201 HydrophobicContact CD1-CE2 4.48Å; L58-F201 HydrophobicContact CD2-CB 4.24Å; L58-F201 HydrophobicContact CD2-CG 4.3Å; Y87-F201 HydrophobicContact CE2-CD2 4.29Å; V89-F201 HydrophobicContact CG1-CE2 3.9Å; Q175-F201 PolarHBondContact NE2-O 3.38Å; F201-E203 VanDerWaalsContact CA-OE2 3.24Å; F201-E203 WeakPolarHBondContact CA-OE2 3.31Å; F201-E203 HydrophobicContact CB-CG 4.46Å; F201-E203 WeakPolarHBondContact CB-OE2 3.43Å; F201-E203 PolarHBondContact O-N 2.94Å; F201-T204 HydrophobicContact CB-CG2 3.72Å; F201-T204 WeakPolarHBondContact O-CB 3.31Å; F201-T204 PolarHBondContact O-N 2.73Å; F201-T204 PolarHBondContact O-OG1 3.44Å
202P97.5Very high94.1Very high11 Ų1136.4 Ų36.47%0.07119%0.189CC..G310 helixtrans-57-29.3-179.1-2837.9000113.9P39 P42 H68 V200 T204 A205P39-P202 HydrophobicContact CB-CB 3.96Å; P39-P202 HydrophobicContact CG-CB 4.2Å; P42-P202 WeakPolarHBondContact O-CG 3.45Å; H68-P202 PolarHBondContact CE1-O 3.13Å; H68-P202 PolarHBondContact ND1-O 2.92Å; V200-P202 WeakPolarHBondContact O-CD 3.3Å; P202-T204 PolarHBondContact O-N 2.92Å; P202-A205 WeakPolarHBondContact O-CB 3.35Å; P202-A205 PolarHBondContact O-N 3.01Å; P202-A205 VanDerWaalsContact O-N 3.14Å
203E97.4Very high94.9Very high0 Ų029.6 Ų29.60%016%0.16CC..G310 helixtrans-64.2-17.2173.159.4-89.6-104.700113.5P39 Q43 L58 R61 W64 L65 F201P39-E203 HydrophobicContact CG-CB 4.43Å; Q43-E203 PolarHBondContact NE2-OE1 2.92Å; L58-E203 HydrophobicContact CD2-CG 3.7Å; R61-E203 IonicContact CZ-OE1 3.15Å; R61-E203 IonicContact NE-OE1 3.71Å; R61-E203 PolarHBondContact NE-OE1 3.05Å; R61-E203 IonicContact NH2-OE1 3.62Å; R61-E203 PolarHBondContact NH2-OE1 2.84Å; W64-E203 HydrophobicContact CB-CG 4.44Å; L65-E203 HydrophobicContact CD2-CB 3.8Å; L65-E203 HydrophobicContact CD2-CG 4.49Å; L65-E203 HydrophobicContact CG-CB 4.42Å; F201-E203 VanDerWaalsContact CA-OE2 3.24Å; F201-E203 WeakPolarHBondContact CA-OE2 3.31Å; F201-E203 HydrophobicContact CB-CG 4.46Å; F201-E203 WeakPolarHBondContact CB-OE2 3.43Å; F201-E203 PolarHBondContact O-N 2.94Å
204T98.2Very high95.7Very high0 Ų025.3 Ų25.30%014%0.137CC..G310 helixtrans-91.6-1.3175.868.80000114.2L58 W64 Y87 Q175 P176 F201 P202L58-T204 HydrophobicContact CD1-CG2 3.83Å; L58-T204 HydrophobicContact CD2-CG2 3.5Å; L58-T204 VanDerWaalsContact CD2-CG2 3.5Å; L58-T204 HydrophobicContact CG-CG2 4.34Å; W64-T204 HydrophobicContact CD2-CG2 3.79Å; W64-T204 HydrophobicContact CE3-CG2 3.86Å; W64-T204 HydrophobicContact CG-CG2 4.25Å; W64-T204 HydrophobicContact CH2-CG2 4.37Å; W64-T204 HydrophobicContact CZ2-CG2 4.32Å; W64-T204 HydrophobicContact CZ3-CG2 4.14Å; Y87-T204 HydrophobicContact CD2-CG2 4.08Å; Y87-T204 HydrophobicContact CE2-CG2 3.95Å; Q175-T204 PolarHBondContact NE2-OG1 3.38Å; P176-T204 WeakPolarHBondContact CD-O 3.35Å; F201-T204 HydrophobicContact CB-CG2 3.72Å; F201-T204 WeakPolarHBondContact O-CB 3.31Å; F201-T204 PolarHBondContact O-N 2.73Å; F201-T204 PolarHBondContact O-OG1 3.44Å; P202-T204 PolarHBondContact O-N 2.92Å
205A98.2Very high96.2Very high11 Ų1128.7 Ų28.79%0.09115%0.151CC..  trans-62.6142.5173.500000111.4T72 Y174 P202T72-A205 WeakPolarHBondContact CB-O 3.47Å; T72-A205 PolarHBondContact OG1-O 3.28Å; Y174-A205 VanDerWaalsContact O-CA 3.25Å; Y174-A205 WeakPolarHBondContact O-CA 3.4Å; P202-A205 WeakPolarHBondContact O-CB 3.35Å; P202-A205 PolarHBondContact O-N 3.01Å; P202-A205 VanDerWaalsContact O-N 3.14Å
206F98.6Very high96.7Very high5 Ų534 Ų342%0.02217%0.173CC..EExtended strand (participates in β ladder)trans-148.8162.6-175.668.8-95.9000112.7T72 M74 M83 I106 L168 K173 Y174 P176 A208T72-F206 HydrophobicContact CG2-CB 3.66Å; T72-F206 CarbonylContact O-C 3.48Å; T72-F206 WeakPolarHBondContact O-CA 3.5Å; T72-F206 WeakPolarHBondContact O-CB 3.38Å; M74-F206 HydrophobicContact CB-CD2 3.53Å; M74-F206 HydrophobicContact CB-CE2 3.7Å; M74-F206 HydrophobicContact CB-CG 4.15Å; M74-F206 HydrophobicContact CB-CZ 4.42Å; M74-F206 HydrophobicContact CG-CB 3.92Å; M74-F206 HydrophobicContact CG-CD1 3.94Å; M74-F206 HydrophobicContact CG-CD2 3.42Å; M74-F206 VanDerWaalsContact CG-CD2 3.42Å; M74-F206 HydrophobicContact CG-CE1 4.29Å; M74-F206 HydrophobicContact CG-CE2 3.84Å; M74-F206 HydrophobicContact CG-CG 3.49Å; M74-F206 VanDerWaalsContact CG-CG 3.49Å; M74-F206 HydrophobicContact CG-CZ 4.25Å; M83-F206 HydrophobicContact SD-CE1 4.24Å; I106-F206 HydrophobicContact CD1-CE1 4.43Å; I106-F206 HydrophobicContact CD1-CZ 4.26Å; I106-F206 HydrophobicContact CG2-CE1 4.33Å; I106-F206 HydrophobicContact CG2-CZ 4.12Å; L168-F206 HydrophobicContact CD1-CE2 3.87Å; L168-F206 HydrophobicContact CD1-CZ 3.75Å; K173-F206 CarbonylContact C-O 3.48Å; K173-F206 WeakPolarHBondContact CA-O 3.48Å; Y174-F206 HydrophobicContact CD2-CE2 4.22Å; Y174-F206 PolarHBondContact N-O 3.13Å; Y174-F206 PolarHBondContact O-N 3.48Å; P176-F206 HydrophobicContact CG-CD1 4.2Å; P176-F206 HydrophobicContact CG-CE1 3.92Å; F206-A208 HydrophobicContact CE2-CB 4.17Å
207I98.5Very high97.1Very high15 Ų1529.8 Ų29.88%0.07715%0.154CC..EExtended strand (participates in β ladder)trans-99.8128.4166.9-62.4174000109T72 E73 M74 Y114 W121 H172 K173 V209T72-I207 PolarHBondContact O-N 2.94Å; E73-I207 WeakPolarHBondContact CA-O 3.34Å; M74-I207 PolarHBondContact N-O 3.11Å; Y114-I207 HydrophobicContact CD1-CD1 4.39Å; Y114-I207 HydrophobicContact CD2-CD1 4.43Å; Y114-I207 HydrophobicContact CG-CD1 4.16Å; W121-I207 HydrophobicContact CD2-CD1 3.55Å; W121-I207 HydrophobicContact CE3-CD1 3.67Å; W121-I207 HydrophobicContact CG-CD1 4.04Å; W121-I207 HydrophobicContact CH2-CB 4.33Å; W121-I207 HydrophobicContact CH2-CD1 4.14Å; W121-I207 HydrophobicContact CH2-CG2 3.72Å; W121-I207 HydrophobicContact CZ2-CB 4.37Å; W121-I207 HydrophobicContact CZ2-CD1 4.07Å; W121-I207 HydrophobicContact CZ2-CG2 4.25Å; W121-I207 HydrophobicContact CZ3-CD1 3.96Å; W121-I207 HydrophobicContact CZ3-CG2 4.04Å; H172-I207 WeakPolarHBondContact O-CA 3.25Å; K173-I207 HydrophobicContact CB-CG1 4.12Å; K173-I207 HydrophobicContact CG-CG1 4.07Å; I207-V209 HydrophobicContact CG2-CG1 4.02Å
208A98.3Very high97.4Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-76.7132.4175.100000109.6I76 L168 S170 M171 H172 Y174 F206I76-A208 HydrophobicContact CD1-CB 4.43Å; I76-A208 HydrophobicContact CG2-CB 4.11Å; L168-A208 HydrophobicContact CB-CB 4.09Å; L168-A208 HydrophobicContact CD1-CB 4.24Å; S170-A208 CarbonylContact C-O 3.57Å; M171-A208 WeakPolarHBondContact CA-O 3.23Å; M171-A208 PolarHBondContact N-O 2.79Å; H172-A208 PolarHBondContact O-N 3.22Å; Y174-A208 HydrophobicContact CD2-CB 3.84Å; Y174-A208 HydrophobicContact CE2-CB 3.72Å; F206-A208 HydrophobicContact CE2-CB 4.17Å
209V98.5Very high97.6Very high0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-141151-176-60.60000111.4E73 M74 I75 I76 W121 M171 I207 S211 Y212 Q213E73-V209 HydrophobicContact CB-CG2 3.99Å; E73-V209 HydrophobicContact CG-CG1 4.49Å; M74-V209 PolarHBondContact O-N 2.78Å; I75-V209 CarbonylContact C-O 3.58Å; I75-V209 VanDerWaalsContact CA-O 3.26Å; I75-V209 WeakPolarHBondContact CA-O 3.39Å; I75-V209 HydrophobicContact CD1-CG2 4.19Å; I76-V209 WeakPolarHBondContact CG1-O 3.45Å; I76-V209 PolarHBondContact N-O 2.74Å; W121-V209 HydrophobicContact CH2-CG1 4.01Å; W121-V209 HydrophobicContact CZ2-CG1 4.44Å; M171-V209 HydrophobicContact SD-CG1 4.02Å; I207-V209 HydrophobicContact CG2-CG1 4.02Å; V209-S211 VanDerWaalsContact CB-O 3.31Å; V209-S211 WeakPolarHBondContact CB-O 3.21Å; V209-S211 VanDerWaalsContact CG2-O 3.23Å; V209-S211 WeakPolarHBondContact CG2-O 3.37Å; V209-Y212 HydrophobicContact CG2-CD1 4.49Å; V209-Q213 HydrophobicContact CG1-CG 4.08Å
210T97.6Very high97.8Very high95 Ų9536.7 Ų36.758%0.58319%0.19SC*.SBendtrans-81.1-30174.741.20000112.8I76 S170I76-T210 HydrophobicContact CG1-CG2 4.41Å; S170-T210 PolarHBondContact OG-N 3.3Å
211S97.9Very high97.9Very high65 Ų6535.7 Ų35.746%0.45518%0.183SC..SBendtrans-139.4154.717154.90000109V209 Q213V209-S211 VanDerWaalsContact CB-O 3.31Å; V209-S211 WeakPolarHBondContact CB-O 3.21Å; V209-S211 VanDerWaalsContact CG2-O 3.23Å; V209-S211 WeakPolarHBondContact CG2-O 3.37Å; S211-Q213 PolarHBondContact O-NE2 3Å; S211-Q213 PolarHBondContact OG-NE2 3.16Å
212Y98.4Very high97.8Very high70 Ų7036.8 Ų36.828%0.27519%0.189SC..  trans-64.6140.8176.6-65.6-56.8000110.9E73 I75 V209 I217 T218 K221E73-Y212 HydrophobicContact CB-CD1 4.06Å; E73-Y212 HydrophobicContact CB-CE1 4.4Å; E73-Y212 WeakPolarHBondContact OE2-CA 3.35Å; I75-Y212 HydrophobicContact CD1-CD1 3.96Å; I75-Y212 HydrophobicContact CD1-CD2 4.18Å; I75-Y212 HydrophobicContact CD1-CE1 3.95Å; I75-Y212 HydrophobicContact CD1-CE2 4.18Å; I75-Y212 HydrophobicContact CD1-CG 4.06Å; I75-Y212 HydrophobicContact CG1-CD1 4.09Å; I75-Y212 HydrophobicContact CG1-CD2 4.42Å; I75-Y212 HydrophobicContact CG1-CE1 3.55Å; I75-Y212 HydrophobicContact CG1-CE2 3.92Å; I75-Y212 HydrophobicContact CG1-CG 4.48Å; I75-Y212 VanDerWaalsContact CG1-CZ 3.43Å; V209-Y212 HydrophobicContact CG2-CD1 4.49Å; Y212-I217 HydrophobicContact CD1-CG2 4.09Å; Y212-I217 HydrophobicContact CE1-CG2 4.19Å; Y212-T218 VanDerWaalsContact CB-OG1 3.26Å; Y212-T218 WeakPolarHBondContact CB-OG1 3.39Å; Y212-T218 HydrophobicContact CD2-CG2 4.26Å; Y212-K221 HydrophobicContact CE1-CD 4.32Å; Y212-K221 VanDerWaalsContact CE1-CE 3.5Å; Y212-K221 HydrophobicContact CE1-CG 4.11Å; Y212-K221 HydrophobicContact CE2-CG 4.14Å; Y212-K221 WeakPolarHBondContact OH-CD 3.27Å; Y212-K221 WeakPolarHBondContact OH-CE 3.35Å; Y212-K221 WeakPolarHBondContact OH-CG 3.2Å
213Q98.4Very high97.8Very high62 Ų6241.2 Ų41.229%0.2921%0.209SC..  trans-102.6-50.1-178.8-51-65.1-71.800110.2E73 F116 W121 M171 V209 S211E73-Q213 PolarHBondContact OE2-N 3.47Å; F116-Q213 HydrophobicContact CB-CB 3.66Å; F116-Q213 HydrophobicContact CB-CG 4.2Å; F116-Q213 HydrophobicContact CD1-CB 3.74Å; F116-Q213 WeakPolarHBondContact CE1-O 3.46Å; F116-Q213 HydrophobicContact CG-CB 3.74Å; W121-Q213 HydrophobicContact CH2-CB 4.25Å; W121-Q213 HydrophobicContact CH2-CG 3.78Å; W121-Q213 HydrophobicContact CZ2-CB 4.06Å; W121-Q213 HydrophobicContact CZ2-CG 4.03Å; M171-Q213 HydrophobicContact CE-CG 4.27Å; V209-Q213 HydrophobicContact CG1-CG 4.08Å; S211-Q213 PolarHBondContact O-NE2 3Å; S211-Q213 PolarHBondContact OG-NE2 3.16Å
214N97.7Very high97.8Very high11 Ų1144 Ų446%0.05922%0.223CC..  trans-86.7113.5177-172.4-10.3000111.1V70 E73 F116 K216 I217 T218V70-N214 WeakPolarHBondContact CG1-ND2 3.49Å; V70-N214 PolarHBondContact O-ND2 3.19Å; E73-N214 WeakPolarHBondContact OE1-CB 3.37Å; E73-N214 PolarHBondContact OE1-N 3.48Å; F116-N214 HydrophobicContact CE1-CB 4.16Å; F116-N214 HydrophobicContact CE2-CB 3.89Å; F116-N214 HydrophobicContact CZ-CB 3.56Å; N214-K216 PolarHBondContact O-N 3.3Å; N214-K216 VanDerWaalsContact O-N 3.11Å; N214-K216 WeakPolarHBondContact OD1-CB 3.23Å; N214-K216 PolarHBondContact OD1-N 2.87Å; N214-I217 HydrophobicContact CB-CB 4.47Å; N214-I217 HydrophobicContact CB-CG1 3.99Å; N214-I217 WeakPolarHBondContact O-CB 3.44Å; N214-I217 PolarHBondContact O-N 2.97Å; N214-T218 PolarHBondContact O-N 3.26Å
215H96.9Very high97.7Very high101 Ų10145.2 Ų45.247%0.46823%0.23SC..Hα-helixtrans-55.8-29.5177.765.9-91.9000113.4I217 T218 Q219H215-I217 VanDerWaalsContact C-N 3.32Å; H215-I217 PolarHBondContact O-N 3.09Å; H215-T218 WeakPolarHBondContact O-CB 3.42Å; H215-T218 PolarHBondContact O-N 3.18Å; H215-T218 VanDerWaalsContact O-N 3.16Å; H215-Q219 PolarHBondContact O-N 2.85Å
216K97.9Very high97.5Very high121 Ų12149.1 Ų49.153%0.52625%0.254SS..Hα-helixtrans-66.3-34.6176.1-60-174.7179-177.30112V70 N214 L220V70-K216 HydrophobicContact CG1-CB 3.55Å; N214-K216 PolarHBondContact O-N 3.3Å; N214-K216 VanDerWaalsContact O-N 3.11Å; N214-K216 WeakPolarHBondContact OD1-CB 3.23Å; N214-K216 PolarHBondContact OD1-N 2.87Å; K216-L220 WeakPolarHBondContact O-CG 3.3Å; K216-L220 PolarHBondContact O-N 2.94Å; K216-L220 VanDerWaalsContact O-N 3.09Å
217I98Very high97.3Very high0 Ų057.7 Ų57.70%029%0.292CS..Hα-helixtrans-65-47.6170.5-61.5-67.4000109.1F67 V70 G71 E73 Y212 N214 H215 Q219 L220 K221F67-I217 HydrophobicContact CD1-CD1 3.95Å; F67-I217 HydrophobicContact CD1-CG2 4.3Å; F67-I217 HydrophobicContact CE1-CG2 4.2Å; V70-I217 HydrophobicContact CB-CD1 3.75Å; V70-I217 HydrophobicContact CG1-CD1 3.54Å; V70-I217 HydrophobicContact CG1-CG1 3.84Å; G71-I217 VanDerWaalsContact O-CD1 3.29Å; G71-I217 WeakPolarHBondContact O-CD1 3.47Å; E73-I217 HydrophobicContact CB-CG2 4.09Å; E73-I217 HydrophobicContact CG-CG1 4.28Å; E73-I217 HydrophobicContact CG-CG2 4.49Å; Y212-I217 HydrophobicContact CD1-CG2 4.09Å; Y212-I217 HydrophobicContact CE1-CG2 4.19Å; N214-I217 HydrophobicContact CB-CB 4.47Å; N214-I217 HydrophobicContact CB-CG1 3.99Å; N214-I217 WeakPolarHBondContact O-CB 3.44Å; N214-I217 PolarHBondContact O-N 2.97Å; H215-I217 VanDerWaalsContact C-N 3.32Å; H215-I217 PolarHBondContact O-N 3.09Å; I217-Q219 VanDerWaalsContact C-N 3.31Å; I217-Q219 PolarHBondContact O-N 2.94Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-K221 HydrophobicContact CG2-CD 4.41Å; I217-K221 HydrophobicContact CG2-CG 4.07Å; I217-K221 VanDerWaalsContact O-CG 3.23Å; I217-K221 WeakPolarHBondContact O-CG 3.49Å; I217-K221 PolarHBondContact O-N 3.13Å
218T97.3Very high97.1Very high45 Ų4557.7 Ų57.728%0.27629%0.294SS..Hα-helixtrans-52.7-47178-53.50000112.3Y212 N214 H215 K221 I222Y212-T218 VanDerWaalsContact CB-OG1 3.26Å; Y212-T218 WeakPolarHBondContact CB-OG1 3.39Å; Y212-T218 HydrophobicContact CD2-CG2 4.26Å; N214-T218 PolarHBondContact O-N 3.26Å; H215-T218 WeakPolarHBondContact O-CB 3.42Å; H215-T218 PolarHBondContact O-N 3.18Å; H215-T218 VanDerWaalsContact O-N 3.16Å; T218-K221 WeakPolarHBondContact O-CB 2.97Å; T218-K221 PolarHBondContact O-N 3.07Å; T218-I222 HydrophobicContact CG2-CD1 3.99Å; T218-I222 WeakPolarHBondContact O-CG1 3.4Å; T218-I222 PolarHBondContact O-N 2.79Å
219Q97.3Very high96.7Very high100 Ų10064.7 Ų64.747%0.46733%0.325SS..Hα-helixtrans-64.5-48177.3-63.2-63.918.500112.3H215 I217 K221 I222 E223H215-Q219 PolarHBondContact O-N 2.85Å; I217-Q219 VanDerWaalsContact C-N 3.31Å; I217-Q219 PolarHBondContact O-N 2.94Å; Q219-K221 PolarHBondContact O-N 3.27Å; Q219-I222 WeakPolarHBondContact O-CA 3.49Å; Q219-I222 WeakPolarHBondContact O-CB 3.39Å; Q219-I222 PolarHBondContact O-N 3Å; Q219-E223 WeakPolarHBondContact O-CB 3.42Å; Q219-E223 VanDerWaalsContact O-CG 3.3Å; Q219-E223 WeakPolarHBondContact O-CG 3.35Å; Q219-E223 PolarHBondContact O-N 3.03Å
220L97.6Very high96.5Very high26 Ų2668.1 Ų68.114%0.13636%0.36CS..Hα-helixtrans-55.9-36.6174.2-75173.9000112.4F67 V70 K216 I217 N224F67-L220 HydrophobicContact CD1-CB 4.16Å; F67-L220 HydrophobicContact CD1-CD1 4.2Å; F67-L220 HydrophobicContact CE1-CB 3.43Å; F67-L220 VanDerWaalsContact CE1-CB 3.43Å; F67-L220 HydrophobicContact CE1-CD1 4.3Å; F67-L220 HydrophobicContact CE2-CB 4.46Å; F67-L220 HydrophobicContact CZ-CB 3.61Å; V70-L220 HydrophobicContact CB-CD1 4.33Å; V70-L220 HydrophobicContact CG2-CD1 3.93Å; K216-L220 WeakPolarHBondContact O-CG 3.3Å; K216-L220 PolarHBondContact O-N 2.94Å; K216-L220 VanDerWaalsContact O-N 3.09Å; I217-L220 PolarHBondContact O-N 3.48Å; L220-N224 VanDerWaalsContact O-CB 3.3Å; L220-N224 WeakPolarHBondContact O-CB 3.31Å; L220-N224 PolarHBondContact O-N 2.74Å; L220-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 3.41Å
221K97.7Very high96.2Very high7 Ų770.3 Ų70.33%0.0336%0.362CS..Hα-helixtrans-66.9-43.4173.7-57.5-74.5-169.2-146.50110.9F67 E73 F84 Y212 I217 T218 Q219 N225F67-K221 HydrophobicContact CE1-CD 3.59Å; F67-K221 HydrophobicContact CE1-CG 3.93Å; F67-K221 HydrophobicContact CZ-CD 3.77Å; F67-K221 HydrophobicContact CZ-CG 4.24Å; E73-K221 VanDerWaalsContact O-CE 3.27Å; E73-K221 WeakPolarHBondContact O-CE 3.25Å; E73-K221 PolarHBondContact O-NZ 2.85Å; F84-K221 HydrophobicContact CD1-CD 3.85Å; F84-K221 PolarHBondContact O-NZ 2.99Å; Y212-K221 HydrophobicContact CE1-CD 4.32Å; Y212-K221 VanDerWaalsContact CE1-CE 3.5Å; Y212-K221 HydrophobicContact CE1-CG 4.11Å; Y212-K221 HydrophobicContact CE2-CG 4.14Å; Y212-K221 WeakPolarHBondContact OH-CD 3.27Å; Y212-K221 WeakPolarHBondContact OH-CE 3.35Å; Y212-K221 WeakPolarHBondContact OH-CG 3.2Å; I217-K221 HydrophobicContact CG2-CD 4.41Å; I217-K221 HydrophobicContact CG2-CG 4.07Å; I217-K221 VanDerWaalsContact O-CG 3.23Å; I217-K221 WeakPolarHBondContact O-CG 3.49Å; I217-K221 PolarHBondContact O-N 3.13Å; T218-K221 WeakPolarHBondContact O-CB 2.97Å; T218-K221 PolarHBondContact O-N 3.07Å; Q219-K221 PolarHBondContact O-N 3.27Å; K221-N225 WeakPolarHBondContact O-CB 3.45Å; K221-N225 PolarHBondContact O-N 3.04Å
222I96.8Very high95.9Very high28 Ų2872.5 Ų72.514%0.14436%0.36CS..Hα-helixtrans-63.1-50.2179.1-71.9166.8000111.2T218 Q219 N224 F231 R232T218-I222 HydrophobicContact CG2-CD1 3.99Å; T218-I222 WeakPolarHBondContact O-CG1 3.4Å; T218-I222 PolarHBondContact O-N 2.79Å; Q219-I222 WeakPolarHBondContact O-CA 3.49Å; Q219-I222 WeakPolarHBondContact O-CB 3.39Å; Q219-I222 PolarHBondContact O-N 3Å; I222-N224 PolarHBondContact O-N 2.7Å; I222-F231 HydrophobicContact CD1-CB 3.98Å; I222-F231 HydrophobicContact CG1-CB 3.98Å; I222-F231 HydrophobicContact CG2-CB 3.87Å; I222-R232 HydrophobicContact CG2-CG 3.66Å; I222-R232 VanDerWaalsContact O-CZ 3.27Å; I222-R232 PolarHBondContact O-NE 3.23Å; I222-R232 PolarHBondContact O-NH2 3.38Å
223E96.9Very high94.6Very high103 Ų10371.7 Ų71.748%0.48137%0.372SS..Hα-helixtrans-62.8-38.2-179.1-70.6163.9-164.600113.8Q219 R232Q219-E223 WeakPolarHBondContact O-CB 3.42Å; Q219-E223 VanDerWaalsContact O-CG 3.3Å; Q219-E223 WeakPolarHBondContact O-CG 3.35Å; Q219-E223 PolarHBondContact O-N 3.03Å; E223-R232 VanDerWaalsContact C-NH2 3.33Å; E223-R232 PolarHBondContact O-NH1 3.11Å; E223-R232 PolarHBondContact O-NH2 3.43Å
224N96.5Very high92.7Very high58 Ų5871.2 Ų71.231%0.3138%0.376SS..Hα-helixtrans-104.9-26.9-170.2-63.3-90000113.2L63 F84 L220 I222 P226L63-N224 HydrophobicContact CD1-CB 3.85Å; L63-N224 WeakPolarHBondContact CD1-OD1 3.48Å; L63-N224 HydrophobicContact CD2-CB 4.35Å; F84-N224 HydrophobicContact CE1-CB 3.91Å; F84-N224 HydrophobicContact CZ-CB 3.87Å; F84-N224 WeakPolarHBondContact CZ-O 3.26Å; L220-N224 VanDerWaalsContact O-CB 3.3Å; L220-N224 WeakPolarHBondContact O-CB 3.31Å; L220-N224 PolarHBondContact O-N 2.74Å; L220-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 3.41Å; I222-N224 PolarHBondContact O-N 2.7Å; N224-P226 WeakPolarHBondContact O-CD 3.38Å
225N96.1Very high90.8Very high26 Ų2677.1 Ų77.114%0.13941%0.407CS..  trans-81.8121.7180-170.5-17.2000111.2F84 K221 F227 A228 R232F84-N225 HydrophobicContact CD1-CB 3.92Å; F84-N225 HydrophobicContact CD2-CB 3.9Å; F84-N225 HydrophobicContact CE1-CB 3.84Å; F84-N225 HydrophobicContact CE2-CB 3.83Å; F84-N225 HydrophobicContact CG-CB 3.96Å; F84-N225 VanDerWaalsContact CZ-CA 3.49Å; F84-N225 HydrophobicContact CZ-CB 3.81Å; K221-N225 WeakPolarHBondContact O-CB 3.45Å; K221-N225 PolarHBondContact O-N 3.04Å; N225-F227 PolarHBondContact O-N 2.86Å; N225-F227 WeakPolarHBondContact OD1-CB 3.23Å; N225-F227 WeakPolarHBondContact OD1-CD2 3.26Å; N225-F227 PolarHBondContact OD1-N 3.01Å; N225-A228 HydrophobicContact CB-CB 4.04Å; N225-A228 PolarHBondContact O-N 3.46Å; N225-R232 PolarHBondContact O-NH2 2.84Å
226P95.1Very high88.9Confident93 Ų9376.9 Ų76.960%0.60441%0.41SS*.G310 helixtrans-57.9-35.7176.2-25.435.6000113.2N224 A228 K229N224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-A228 PolarHBondContact O-N 3.05Å; P226-K229 WeakPolarHBondContact O-CB 3.45Å; P226-K229 PolarHBondContact O-N 3.17Å
227F94.3Very high87.1Confident186 Ų18677.4 Ų77.482%0.81642%0.416SS*.G310 helixtrans-74-5.4179.2-58.1-74000113.8N225N225-F227 PolarHBondContact O-N 2.86Å; N225-F227 WeakPolarHBondContact OD1-CB 3.23Å; N225-F227 WeakPolarHBondContact OD1-CD2 3.26Å; N225-F227 PolarHBondContact OD1-N 3.01Å
228A93.6Very high85.2Confident15 Ų1583.7 Ų83.712%0.12445%0.445CS..G310 helixtrans-108.77.4174.600000113.1N225 P226 G230 F231N225-A228 HydrophobicContact CB-CB 4.04Å; N225-A228 PolarHBondContact O-N 3.46Å; P226-A228 PolarHBondContact O-N 3.05Å; A228-G230 PolarHBondContact O-N 3.09Å; A228-G230 VanDerWaalsContact O-N 3.09Å; A228-F231 PolarHBondContact O-N 3.24Å
229K91.1Very high83.4Confident147 Ų14786.4 Ų86.464%0.63946%0.457SS*.G310 helixtrans-53.8-33.5-176.5-172.5-178177.3-175.10113.7P226 F231 R232P226-K229 WeakPolarHBondContact O-CB 3.45Å; P226-K229 PolarHBondContact O-N 3.17Å; K229-F231 PolarHBondContact O-N 3.16Å; K229-F231 VanDerWaalsContact O-N 3.16Å; K229-R232 WeakPolarHBondContact O-CB 3.44Å; K229-R232 WeakPolarHBondContact O-CG 3.48Å; K229-R232 PolarHBondContact O-N 3.25Å; K229-R232 VanDerWaalsContact O-N 3.17Å
230G92.6Very high81.6Confident71 Ų7187.3 Ų87.373%0.73246%0.461SS*.G310 helixtrans-67-6.9179.200000116A228A228-G230 PolarHBondContact O-N 3.09Å; A228-G230 VanDerWaalsContact O-N 3.09Å
231F91.3Very high79.9Confident142 Ų14295.2 Ų95.262%0.62349%0.489SS*.G310 helixtrans-102.14.6174.8-61.4-80.1000113.2I222 A228 K229I222-F231 HydrophobicContact CD1-CB 3.98Å; I222-F231 HydrophobicContact CG1-CB 3.98Å; I222-F231 HydrophobicContact CG2-CB 3.87Å; A228-F231 PolarHBondContact O-N 3.24Å; K229-F231 PolarHBondContact O-N 3.16Å; K229-F231 VanDerWaalsContact O-N 3.16Å
232R92.8Very high78Confident111 Ų11199 Ų9942%0.41951%0.508SS..THydrogen-bonded Turntrans-85116.8178.1-60.5176.1-164.9-168.75.4109.5I222 E223 N225 K229I222-R232 HydrophobicContact CG2-CG 3.66Å; I222-R232 VanDerWaalsContact O-CZ 3.27Å; I222-R232 PolarHBondContact O-NE 3.23Å; I222-R232 PolarHBondContact O-NH2 3.38Å; E223-R232 VanDerWaalsContact C-NH2 3.33Å; E223-R232 PolarHBondContact O-NH1 3.11Å; E223-R232 PolarHBondContact O-NH2 3.43Å; N225-R232 PolarHBondContact O-NH2 2.84Å; K229-R232 WeakPolarHBondContact O-CB 3.44Å; K229-R232 WeakPolarHBondContact O-CG 3.48Å; K229-R232 PolarHBondContact O-N 3.25Å; K229-R232 VanDerWaalsContact O-N 3.17Å
233G71.8Confident76.3Confident52 Ų52101.4 Ų101.454%0.53653%0.527SS..THydrogen-bonded Turntrans78.537.8171.100000115.8D235G233-D235 PolarHBondContact O-N 2.92Å
234S57.5Low74.4Confident52 Ų52106.7 Ų106.736%0.36454%0.543SS..Hα-helixtrans-63.9-23.5175.1-68.50000114D236 M237 E238S234-D236 PolarHBondContact O-N 3.13Å; S234-M237 WeakPolarHBondContact O-CA 3.45Å; S234-M237 WeakPolarHBondContact O-CB 3.39Å; S234-M237 PolarHBondContact O-N 3.05Å; S234-E238 PolarHBondContact O-N 3.37Å
235D58.1Low72.6Confident135 Ų135110.7 Ų110.772%0.72256%0.561SS**Hα-helixtrans-51.6-42.5-179.4-48.212.3000111.5G233 L239G233-D235 PolarHBondContact O-N 2.92Å; D235-L239 WeakPolarHBondContact O-CG 3.42Å; D235-L239 PolarHBondContact O-N 3.31Å
236D57.6Low70.5Confident96 Ų96117 Ų11751%0.51359%0.59SS.*Hα-helixtrans-77.9-33179-1603.2000112.2S234 E238 L239 H240S234-D236 PolarHBondContact O-N 3.13Å; D236-E238 VanDerWaalsContact C-N 3.33Å; D236-E238 PolarHBondContact O-N 3.05Å; D236-L239 PolarHBondContact O-N 3.45Å; D236-H240 WeakPolarHBondContact O-CB 3.47Å; D236-H240 PolarHBondContact O-N 3.15Å; D236-H240 PolarHBondContact O-ND1 2.97Å; D236-H240 IonicContact OD1-CE1 3.05Å; D236-H240 PolarHBondContact OD1-CE1 3.22Å; D236-H240 IonicContact OD1-ND1 2.91Å; D236-H240 PolarHBondContact OD1-ND1 2.99Å
237M58.8Low68.4Low132 Ų132117.3 Ų117.365%0.6559%0.594SS**Hα-helixtrans-65.8-33.4173.9-81-17855.800112.7S234 R241S234-M237 WeakPolarHBondContact O-CA 3.45Å; S234-M237 WeakPolarHBondContact O-CB 3.39Å; S234-M237 PolarHBondContact O-N 3.05Å; M237-R241 VanDerWaalsContact O-CB 3.29Å; M237-R241 WeakPolarHBondContact O-CB 3.43Å; M237-R241 PolarHBondContact O-N 3.36Å
238E58.8Low66.3Low133 Ų133116.7 Ų116.762%0.62159%0.591SS**Hα-helixtrans-74.2-40.1177.5-166.8152.8174.600111.4S234 D236 R241 M242S234-E238 PolarHBondContact O-N 3.37Å; D236-E238 VanDerWaalsContact C-N 3.33Å; D236-E238 PolarHBondContact O-N 3.05Å; E238-R241 WeakPolarHBondContact O-CB 3.48Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 VanDerWaalsContact O-N 3.15Å; E238-M242 HydrophobicContact CG-CE 3.99Å; E238-M242 WeakPolarHBondContact O-CG 3.47Å; E238-M242 PolarHBondContact O-N 2.93Å
239L59.3Low63.8Low101 Ų101124.6 Ų124.653%0.52963%0.626SS.*Hα-helixtrans-58.3-47169.9-69.9172.4000112D235 D236 R241 M242 S243D235-L239 WeakPolarHBondContact O-CG 3.42Å; D235-L239 PolarHBondContact O-N 3.31Å; D236-L239 PolarHBondContact O-N 3.45Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.45Å; L239-M242 HydrophobicContact CD2-CE 4.18Å; L239-M242 HydrophobicContact CD2-SD 4.08Å; L239-M242 VanDerWaalsContact O-CG 3.25Å; L239-M242 WeakPolarHBondContact O-CG 3.48Å; L239-M242 PolarHBondContact O-N 2.87Å; L239-S243 VanDerWaalsContact O-CB 3.27Å; L239-S243 WeakPolarHBondContact O-CB 3.29Å; L239-S243 PolarHBondContact O-N 2.92Å
240H60.3Low61.3Low120 Ų120127 Ų12756%0.55663%0.632SS**Hα-helixtrans-63.9-32.3175-80.578.6000112.9D236 R244D236-H240 WeakPolarHBondContact O-CB 3.47Å; D236-H240 PolarHBondContact O-N 3.15Å; D236-H240 PolarHBondContact O-ND1 2.97Å; D236-H240 IonicContact OD1-CE1 3.05Å; D236-H240 PolarHBondContact OD1-CE1 3.22Å; D236-H240 IonicContact OD1-ND1 2.91Å; D236-H240 PolarHBondContact OD1-ND1 2.99Å; H240-R244 PolarHBondContact O-N 3.43Å; H240-R244 VanDerWaalsContact O-N 3.15Å
241R60.2Low58.9Low191 Ų191129 Ų12972%0.72163%0.632SS**Hα-helixtrans-72-43.5177.4-164.5178.6-160130.92.2112.1M237 E238 L239 M245M237-R241 VanDerWaalsContact O-CB 3.29Å; M237-R241 WeakPolarHBondContact O-CB 3.43Å; M237-R241 PolarHBondContact O-N 3.36Å; E238-R241 WeakPolarHBondContact O-CB 3.48Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 VanDerWaalsContact O-N 3.15Å; L239-R241 VanDerWaalsContact C-N 3.28Å; L239-R241 PolarHBondContact O-N 3.45Å; R241-M245 VanDerWaalsContact O-CG 3.29Å; R241-M245 WeakPolarHBondContact O-CG 3.42Å; R241-M245 PolarHBondContact O-N 2.98Å
242M59Low56.9Low88 Ų88128.7 Ų128.743%0.43364%0.642SS.*Hα-helixtrans-70.7-36.317667.1-178.377.400112.1E238 L239 R244 M245 Q246E238-M242 HydrophobicContact CG-CE 3.99Å; E238-M242 WeakPolarHBondContact O-CG 3.47Å; E238-M242 PolarHBondContact O-N 2.93Å; L239-M242 HydrophobicContact CD2-CE 4.18Å; L239-M242 HydrophobicContact CD2-SD 4.08Å; L239-M242 VanDerWaalsContact O-CG 3.25Å; L239-M242 WeakPolarHBondContact O-CG 3.48Å; L239-M242 PolarHBondContact O-N 2.87Å; M242-R244 PolarHBondContact O-N 2.93Å; M242-M245 WeakPolarHBondContact O-CA 3.27Å; M242-M245 WeakPolarHBondContact O-CB 3.25Å; M242-M245 PolarHBondContact O-N 3.22Å; M242-Q246 PolarHBondContact O-N 3.16Å; M242-Q246 VanDerWaalsContact O-N 3.16Å
243S59.9Low54.5Low77 Ų77129.2 Ų129.254%0.53866%0.657SS.*Hα-helixtrans-57.3-47.3172.6177.20000111.8L239 M245 Q246L239-S243 VanDerWaalsContact O-CB 3.27Å; L239-S243 WeakPolarHBondContact O-CB 3.29Å; L239-S243 PolarHBondContact O-N 2.92Å; S243-M245 PolarHBondContact O-N 2.97Å; S243-M245 VanDerWaalsContact O-N 3.14Å; S243-Q246 PolarHBondContact O-N 3.46Å; S243-Q246 VanDerWaalsContact O-N 3.13Å
244R58.1Low53.1Low214 Ų214131.7 Ų131.781%0.80866%0.663SS**Hα-helixtrans-64.7-12.3172.7-89.4-172.5169.9-174.7-1.6115.4H240 M242H240-R244 PolarHBondContact O-N 3.43Å; H240-R244 VanDerWaalsContact O-N 3.15Å; M242-R244 PolarHBondContact O-N 2.93Å
245M57.5Low52.6Low143 Ų143141.6 Ų141.670%0.70469%0.693SS**Hα-helixtrans-93.5-21.6174.2-63.5-837700112.8R241 M242 S243R241-M245 VanDerWaalsContact O-CG 3.29Å; R241-M245 WeakPolarHBondContact O-CG 3.42Å; R241-M245 PolarHBondContact O-N 2.98Å; M242-M245 WeakPolarHBondContact O-CA 3.27Å; M242-M245 WeakPolarHBondContact O-CB 3.25Å; M242-M245 PolarHBondContact O-N 3.22Å; S243-M245 PolarHBondContact O-N 2.97Å; S243-M245 VanDerWaalsContact O-N 3.14Å
246Q53.7Low52.1Low159 Ų159139.9 Ų139.974%0.74369%0.691SS**Hα-helixtrans-84.3-20.5179.2-68.7-174.913.600113.9M242 S243 K248M242-Q246 PolarHBondContact O-N 3.16Å; M242-Q246 VanDerWaalsContact O-N 3.16Å; S243-Q246 PolarHBondContact O-N 3.46Å; S243-Q246 VanDerWaalsContact O-N 3.13Å; Q246-K248 PolarHBondContact O-N 3.36Å
247S50.6Low51.2Low99 Ų99141.8 Ų141.869%0.69271%0.707SS**  trans-74.526.2-177.483.40000115.6E249S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.13Å
248K49.2Very low50.4Low173 Ų173142.2 Ų142.275%0.75272%0.716SS**  trans-95.759169.6-83.5-166172.9-174.40111.1Q246 Y250Q246-K248 PolarHBondContact O-N 3.36Å; K248-Y250 PolarHBondContact O-N 3.37Å
249E42Very low49.5Very low180 Ų180146.1 Ų146.184%0.84173%0.725SS**  trans-57.8119.9159.3-169.490.1-113.100108.1S247S247-E249 VanDerWaalsContact C-N 3.33Å; S247-E249 PolarHBondContact O-N 3.13Å
250Y38.7Very low48.3Very low198 Ų198149 Ų14978%0.77674%0.736SS**  trans-77.6125.3173.8-95.2-102.2000108.9K248 V252K248-Y250 PolarHBondContact O-N 3.37Å; Y250-V252 PolarHBondContact O-N 3.14Å
251P42.2Very low47.2Very low112 Ų112151.8 Ų151.873%0.72775%0.747SS**  trans-66.7110.3177.826.6-33.3000110.2V253P251-V253 PolarHBondContact O-N 3.15Å; P251-V253 VanDerWaalsContact O-N 3.1Å
252V49.2Very low45.9Very low137 Ų137149.6 Ų149.683%0.8375%0.754SS**  trans-70.2103.9175.3177.60000109Y250 P254Y250-V252 PolarHBondContact O-N 3.14Å; V252-P254 WeakPolarHBondContact O-CD 3.49Å
253V42Very low44.5Very low121 Ų121150.3 Ų150.373%0.73377%0.768SS**  trans-73.6120.7178.2-178.70000110.1P251P251-V253 PolarHBondContact O-N 3.15Å; P251-V253 VanDerWaalsContact O-N 3.1Å
254P43.3Very low43Very low104 Ų104152 Ų15268%0.67578%0.78SS**  trans-65.2138.8177.8-22.134.7000112.7V252 S256V252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-S256 PolarHBondContact O-N 2.87Å; P254-S256 VanDerWaalsContact O-N 3.14Å
255R46.3Very low41.8Very low260 Ų260149.8 Ų149.898%0.98178%0.784SS**  trans-8869.1-177.9-108.5-175.4171.9150.7-2.7113.5
256S46.9Very low40.7Very low99 Ų99152 Ų15269%0.69279%0.792SS**  trans-157.8144.3154.160.70000107.9P254P254-S256 PolarHBondContact O-N 2.87Å; P254-S256 VanDerWaalsContact O-N 3.14Å
257T39.8Very low39.8Very low136 Ų136149.7 Ų149.783%0.83479%0.794SS**  cis-137.416732.748.90000114
258V41.4Very low39.6Very low141 Ų141150.6 Ų150.686%0.85580%0.797SS**  trans-86.1135.3166.1167.90000109.5
259R39Very low38.8Very low215 Ų215151.7 Ų151.781%0.81180%0.802SS**  trans-168.3129133.5-155.3148.4173.1161.6-0.5116.8
260Q34.3Very low38.4Very low162 Ų162148.6 Ų148.676%0.75780%0.801SS**  trans67.9159151-84.4179.8-106.600123.4
261K38.8Very low38.2Very low178 Ų178142.9 Ų142.977%0.77480%0.802SS**  trans-133.1142.9-167.4157-165.5178.6-175.50107.1
262V32.1Very low37.8Very low145 Ų145145.4 Ų145.488%0.87980%0.804SS**  trans-162.3152145.6133.40000108.1
263S29.1Very low36.9Very low104 Ų104143.5 Ų143.573%0.72779%0.793SS**  trans-113.3146.2-170.1-46.70000112.4
264S29.6Very low36.7Very low112 Ų112147.5 Ų147.578%0.78380%0.795SS**  trans-150.6122.9147.649.60000109.6
265N31.5Very low36.2Very low167 Ų167148.6 Ų148.689%0.89380%0.799SS**  trans-156.3143165.9-115.2-9000108.2
266H34.5Very low35.8Very low191 Ų191143.3 Ų143.388%0.88479%0.79SS**  trans-86.8152.9-172.4-67.8-108.4000112
267S34.8Very low35Very low110 Ų110143.8 Ų143.877%0.76979%0.793SS**  trans-113.8145.9171-160.70000107.4
268P46.9Very low34.6Very low117 Ų117141.2 Ų141.276%0.7679%0.785SS**  -147.8144.679.138.4-20.8000116.2
269F32.5Very low34.2Very low197 Ų197139.9 Ų139.986%0.86478%0.782SS**  177.1167.7101.2-143.9-101.9000111
270S34.6Very low33.9Very low115 Ų115133.9 Ų133.980%0.80477%0.773SS**  trans-90.7154.1-166.5-55.10000115.9
271G32.8Very low33.8Very low78 Ų78133 Ų13380%0.80477%0.774SS**  trans-179.4102.2168.100000114.4
272E34.3Very low33.7Very low164 Ų164132.2 Ų132.277%0.76678%0.777SS**  trans-64.8160.2168.4-105.5-177.2119.100111.1R274E272-R274 IonicContact OE1-NH2 3.81Å
273T31.6Very low33.5Very low98 Ų98128.8 Ų128.860%0.60177%0.771SS**  cis-164.4144.132.4-22.80000112.5
274R35.8Very low33.6Very low204 Ų204129 Ų12977%0.7777%0.773SS**  trans51.1127.9145.7-74.7167.9-139.1-171.59.7121.6E272E272-R274 IonicContact OE1-NH2 3.81Å
275V33.4Very low33.6Very low128 Ų128130.6 Ų130.678%0.77677%0.768SS**  77.9121.964.3160.40000111.3
276L37.8Very low33.5Very low149 Ų149131.7 Ų131.778%0.7876%0.761SS**  cis-133.2160.622.6-76.1168.6000112.4
277S30.9Very low33Very low108 Ų108130.1 Ų130.176%0.75575%0.754SS**  57.1142.573.7-31.60000115.3
278A30.1Very low32.6Very low82 Ų82129.8 Ų129.868%0.67875%0.75SS**  cis-145.7160.21300000111.1
279S33.1Very low31.6Very low113 Ų113132.8 Ų132.879%0.7975%0.754SS**  53.7140.989.9-46.90000115.5
280S33.6Very low31.8Very low89 Ų89131.1 Ų131.162%0.62275%0.754SS**  cis177.6159.8-7.648.60000110.4
281N32Very low31.6Very low145 Ų145129.4 Ų129.478%0.77576%0.755SS**  trans66.8164.4160.2-57.5-31.6000115.8
282L36Very low31.5Very low161 Ų161132.6 Ų132.684%0.84376%0.758SS**  cis-151.5172.5-10.9-149.870.2000109
283G29.4Very low31.4Very low72 Ų72131.2 Ų131.274%0.74277%0.767SS**  trans103.4112.3137.100000117.9
284S31Very low31.2Very low110 Ų110131.6 Ų131.677%0.76977%0.774SS**  trans-87.1148.4166.4175.50000111
285Q29.5Very low31Very low145 Ų145128 Ų12868%0.67877%0.774SS**  164.2134.6121.6-91.2-179.2-8.600114.1
286Y28Very low31Very low189 Ų189126.6 Ų126.674%0.74177%0.77SS**  trans55.8157.2141.2-57-37.4000120.7
287Q25.9Very low30.7Very low159 Ų159128.2 Ų128.274%0.74377%0.774SS**  cis-171.4172.8-20-179.5179.6-7.600107.7
288C24.9Very low30.7Very low103 Ų103129.4 Ų129.470%0.69677%0.772SS**  trans73.5161.1171.3-590000115.9
289E27.5Very low30.9Very low179 Ų179133 Ų13384%0.83678%0.779SS**  cis-146.9177.5-0.8-142.7171.3119.200112.5
290N35.3Very low30.8Very low163 Ų163135.5 Ų135.587%0.87278%0.782SS**  trans-81.5153.5171.5-88.6-25.5000112.2
291G30.4Very low31.9Very low79 Ų79136.9 Ų136.981%0.81479%0.789SS**  trans-159.2127.6167.500000112.6
292V31.8Very low32.8Very low145 Ų145135.5 Ų135.588%0.87979%0.788SS**  trans-120.6141.9177.3-79.90000111.3
293S30.4Very low32.4Very low135 Ų135132.4 Ų132.494%0.94479%0.786SS**  trans-161169.6163.2-86.10000110.8
294S28.9Very low32.6Very low106 Ų106135.6 Ų135.674%0.74179%0.786SS**  trans-123-175.4-150.8-168.10000114.4
295T31Very low32.8Very low128 Ų128136.1 Ų136.179%0.78579%0.787SS**  trans81.7152.5165.1740000118.6
296S32.6Very low32.8Very low99 Ų99138.9 Ų138.969%0.69279%0.792SS**  cis-175.7167.2-34.7-94.80000109.5
297Q31.7Very low33.6Very low182 Ų182134.6 Ų134.685%0.8579%0.787SS**  trans69.1155.1164.2-74-177.3-47.900118.1
298D31.6Very low33.7Very low133 Ų133134.9 Ų134.971%0.71179%0.792SS**  cis-168.3-177.3-32.1-145.7-41.1000109.6
299L33.7Very low33.8Very low159 Ų159134.6 Ų134.683%0.83279%0.792SS**  trans83.7162.8165-50.3-176000120.3
300L32.6Very low33.7Very low165 Ų165134 Ų13486%0.86479%0.789SS**  trans-123.7-142.8-168.2-65.7170.8000112.8
301P56.6Low33.1Very low117 Ų117132.4 Ų132.476%0.7678%0.776SS**  -108.2-162.4-121.441.7-22.4000112.6
302P50Low32.8Very low116 Ų116136 Ų13675%0.75377%0.771SS**  cis-145.7-170.67.345.3-24.8000118.5
303A27.7Very low32.4Very low97 Ų97134 Ų13480%0.80276%0.764SS**  trans86.9148.9143.600000122.7
304N33.2Very low32.4Very low139 Ų139136 Ų13674%0.74376%0.758SS**  trans-77.7155175.9-122.46000111.1
305P34.9Very low32.2Very low120 Ų120136.2 Ų136.278%0.77975%0.75SS**  -150.8159.495.740.3-23.6000117.6
306Y30.6Very low32.1Very low204 Ų204139.5 Ų139.580%0.875%0.75SS**  trans-76.1175.8156.6-84.4-87.6000110.5
307P45.1Very low31.8Very low98 Ų98142.4 Ų142.464%0.63675%0.752SS**  cis-142.6-169.914.843.5-24000116.8
308I27.6Very low31.4Very low165 Ų165140 Ų14085%0.84675%0.754SS**  trans69152152.9-79165.9000117.1
309S27.1Very low31.4Very low98 Ų98139.2 Ų139.269%0.68575%0.754SS**  cis-170.3-171.6-30.7-167.20000107.9
310Q24.4Very low31.5Very low166 Ų166141 Ų14178%0.77676%0.755SS**  trans67.2152.4172.7-84.8178.9-73.900116.5
311E23.2Very low31.3Very low129 Ų129144.5 Ų144.560%0.60376%0.757SS**  cis-156.1162.8-17.2-150.3-178.695.700110.9
312H25Very low30Very low155 Ų155147.1 Ų147.172%0.71876%0.756SS**  trans19.2129.2162.7-64.6134.7000122.3
313S23.2Very low29.1Very low104 Ų104147.6 Ų147.673%0.72775%0.752SS**  170.7123.9109.2-81.40000116
314Q29Very low29.2Very low176 Ų176151.1 Ų151.182%0.82275%0.752SS**  49.9140.3120.4-70.9-17015.600121.8
315I26.1Very low29Very low110 Ų110153.1 Ų153.156%0.56476%0.757SS**  cis-148.5167.8-8-43.689.1000108.3
316Y27.5Very low28.4Very low198 Ų198153.4 Ų153.478%0.77676%0.761SS**  trans12493.1144.3-72.7-66000120.3
317H26.7Very low28.1Very low159 Ų159148.1 Ų148.174%0.73675%0.754SS**  trans-15.3147152.1-53.3-82.6000120.7
318C24.4Very low27.2Very low133 Ų133149.6 Ų149.690%0.89976%0.761SS**  trans-113.4129.3144.5-1770000109
319T31.3Very low27.3Very low115 Ų115147.2 Ų147.271%0.70675%0.754SS**  trans-101.7109.6-174.137.10000113.2
320K34.4Very low27.2Very low198 Ų198150.4 Ų150.486%0.86176%0.758SS**  trans-73.4142.5159-175.3-179.2-179.8-177.90109.4
321R29.7Very low27.5Very low237 Ų237150.8 Ų150.889%0.89476%0.759SS**  trans-128.8162.7166.6-75-166.5176.1-169.60.1111.3
322K27.8Very low28.9Very low172 Ų172149.7 Ų149.775%0.74876%0.764SS**  trans-149.7131.1-174.8177-165.4168.1-163.50108.9
323D31.6Very low29Very low126 Ų126152.2 Ų152.267%0.67477%0.768SS**  trans50.2165.7153.6-51.2-17.5000123.4
324E30.4Very low29.4Very low172 Ų172155.9 Ų155.980%0.80477%0.771SS**  trans97.9112.9160.1-54.2-70.744.700122
325E28.8Very low29.7Very low180 Ų180156.6 Ų156.684%0.84177%0.772SS**  trans68.4119.4130.2-160.2167.7-144.500123.4
326C22.6Very low30.4Very low127 Ų127156.8 Ų156.886%0.85878%0.78SS**  -178.5178.5119-156.70000111.3
327S25Very low30.4Very low93 Ų93155.2 Ų155.265%0.6577%0.774SS**  trans-143.5164.7-159.359.80000117
328T26Very low30.8Very low128 Ų128154.2 Ų154.279%0.78577%0.771SS**  trans66.5156.6164.452.10000117.7
329T29Very low31.1Very low115 Ų115154 Ų15471%0.70676%0.757SS**  cis-159.5170.514.8-16.80000113.5
330E25.6Very low31.1Very low166 Ų166154.2 Ų154.278%0.77676%0.758SS**  trans82.2161.5154.6-67.1-64.59000124.1
331H30.7Very low31.1Very low173 Ų173150.2 Ų150.280%0.80176%0.755SS**  trans-129.1-155.4-162.4-68.2-60.8000112.7
332P51.5Low32Very low107 Ų107145 Ų14570%0.69575%0.752SS**  cis-128.7173.9-17.721.45.4000114.7
333Y26.8Very low32.4Very low207 Ų207141.5 Ų141.581%0.81276%0.756SS**  178.2124.981.7-115.6-97.2000109.9
334K32.3Very low32.5Very low181 Ų181145.1 Ų145.179%0.78777%0.768SS**  50.3114.794.2-75.8-178.3179.8176.60117.3
335K34.6Very low32.8Very low191 Ų191145.6 Ų145.683%0.8377%0.77SS**  109.9161.565.6-114.3-163.1177.4-1690110.7
336P42.5Very low32.9Very low114 Ų114144.6 Ų144.674%0.7477%0.771SS**  cis-134.615938.243.5-25.3000117.3
337Y27.5Very low34.3Very low165 Ų165142.7 Ų142.765%0.64776%0.757SS**  71149109.9-167.6-132000114.7E339Y337-E339 HydrophobicContact CE2-CB 4.32Å; Y337-E339 HydrophobicContact CE2-CG 4.25Å; Y337-E339 WeakPolarHBondContact CE2-OE1 3.29Å; Y337-E339 PolarHBondContact OH-OE1 3.37Å
338M34Very low34.6Very low138 Ų138147.2 Ų147.268%0.6877%0.765SS**  cis-99.9-171.517.3-93-174.9142.600115.2
339E31.3Very low34.9Very low128 Ų128151.8 Ų151.860%0.59877%0.77SS**  cis85.9140.327.6-106-179.9-119.500116.3Y337Y337-E339 HydrophobicContact CE2-CB 4.32Å; Y337-E339 HydrophobicContact CE2-CG 4.25Å; Y337-E339 WeakPolarHBondContact CE2-OE1 3.29Å; Y337-E339 PolarHBondContact OH-OE1 3.37Å
340T30.9Very low34.9Very low120 Ų120157.2 Ų157.274%0.73678%0.777SS**  cis-137.7171.17.623.30000113.6
341S33.8Very low34.9Very low114 Ų114154.9 Ų154.980%0.79778%0.779SS**  trans-123168.2156.6-58.10000109.8
342P50.1Low34.7Very low128 Ų128151.7 Ų151.783%0.83178%0.776SS**  trans-136160.9143.338.6-27.6000114.5
343A35.3Very low33.6Very low99 Ų99157 Ų15782%0.81878%0.784SS**  trans-147.4149.2161.900000107.7
344E34.2Very low34.6Very low201 Ų201152.3 Ų152.394%0.93978%0.779SS**  trans-135.8166.9174.7-70.5-169.3126.100110.5
345E36.1Very low34.6Very low182 Ų182152 Ų15285%0.8578%0.78SS**  trans-142.5151-157.2-179-175.4155.800110.3
346D32.3Very low34.4Very low159 Ų159150 Ų15085%0.8577%0.774SS**  trans-156.6151.2161.7-135.75.2000111.7
347P51.5Low33.9Very low87 Ų87152.8 Ų152.857%0.56578%0.777SS**  trans-121-154-159.445.5-36.3000116.6
348F30.1Very low34Very low188 Ų188148.4 Ų148.483%0.82578%0.782SS**  trans97.699.5168.1-59-72.7000120
349Y32.6Very low33.9Very low225 Ų225150.1 Ų150.188%0.88279%0.793SS**  -171.9172.7101.5-144.6-102.2000112.2
350R30Very low33.7Very low229 Ų229151 Ų15186%0.86480%0.802SS**  trans-99.8153.8-178.2-55.4-180-176.81801.6113.8
351S25.2Very low33.6Very low116 Ų116151.8 Ų151.881%0.81181%0.806SS**  -171.6143.5117-156.20000116.4
352S25.4Very low33.4Very low106 Ų106150.9 Ų150.974%0.74180%0.8SS**  trans-17.6142.1165.7-47.50000125
353Y28.8Very low32.3Very low219 Ų219155.4 Ų155.486%0.85980%0.802SS**  trans-16.7170.5144.5-76.1-85.8000121.5
354P49.3Very low31.9Very low108 Ų108162.6 Ų162.670%0.70181%0.808SS**  cis-137.7152.34.125.5-0.9000119.9
355Q30.7Very low31.6Very low174 Ų174158.6 Ų158.681%0.81380%0.798SS**  24.4129.9127.3-171.9-17832.800122.5
356Q31.8Very low31.3Very low151 Ų151158.3 Ų158.371%0.70680%0.796SS**  -171.6144.3115.5-98.1-15819.300115.8
357Q31.4Very low31.2Very low172 Ų172156.2 Ų156.280%0.80479%0.794SS**  trans31.1140.7145.3-51178.513.800121.7
358G29Very low30.2Very low72 Ų72156.3 Ų156.374%0.74280%0.803SS**  cis163.8162.1-6.100000114.7
359L31.9Very low30.2Very low175 Ų175155.8 Ų155.892%0.91680%0.803SS**  trans75.9116.6162.4-57.7178.3000122.5
360N27.7Very low30.1Very low146 Ų146155.6 Ų155.678%0.78180%0.8SS**  trans-43.5174.9151.7-57.9-37.6000114.9
361T28.7Very low30.2Very low136 Ų136153.6 Ų153.683%0.83480%0.801SS**  cis-163.9165.135.1-310000115.7
362S29.2Very low30.3Very low96 Ų96152.7 Ų152.767%0.67180%0.8SS**  trans-61.3152.4179.4-58.90000121
363Y28.3Very low30.6Very low222 Ų222153.2 Ų153.287%0.87180%0.803SS**  trans42.4128.3137-77.7-99.2000123.1
364R25.7Very low30.6Very low250 Ų250149.5 Ų149.594%0.94380%0.795SS**  -162.1-176.3128.2-129.4-179178163.80.9114.4
365T28.1Very low29.9Very low118 Ų118154 Ų15472%0.72480%0.799SS**  trans-136.7138.6-153.2-460000114
366E29.9Very low29.7Very low175 Ų175149.4 Ų149.482%0.81879%0.791SS**  trans33.1129.8148.9-160-177155.800122.9
367S30.4Very low29.5Very low115 Ų115147.9 Ų147.980%0.80480%0.797SS**  trans-175.1128.9130.3250000116.2
368A30.2Very low29.5Very low90 Ų90144.7 Ų144.774%0.74479%0.794SS**  trans36.3139.4143.400000125.8
369Q29.5Very low29.9Very low176 Ų176145.8 Ų145.882%0.82280%0.796SS**  128.792.3115.8-161.7153.5-45.600121.2
370R30.8Very low30.4Very low221 Ų221143 Ų14383%0.83479%0.788SS**  trans54.7150.8133.6-68.3-171.6171.8-148.8-2.4125
371Q31.8Very low31.4Very low187 Ų187141 Ų14187%0.87478%0.783SS**  trans74.9151.9160.1-76.1166.8-39.900117.1
372A27.8Very low31.5Very low97 Ų97140.8 Ų140.880%0.80278%0.782SS**  cis-134.1-173.87.300000113.7
373C30.8Very low31.6Very low118 Ų118143.3 Ų143.380%0.79779%0.788SS**  trans-110.1167.9-174.4-47.70000112.5
374M30.4Very low32.4Very low140 Ų140138.7 Ų138.769%0.6979%0.785SS**  173.3143.9122.9-96.4-52.2-160.900115.6
375Y33Very low32.9Very low202 Ų202133.1 Ų133.179%0.79278%0.779SS**  trans51.1169.3157.3-60.1-57.4000121.6
376A27.8Very low33.6Very low78 Ų78132.7 Ų132.765%0.64578%0.778SS**  -176149.9-62.200000110.4
377S27.7Very low33.6Very low119 Ų119129.8 Ų129.883%0.83278%0.777SS**  trans66.4155.6164.9-67.90000117.3
378S31.8Very low33.9Very low105 Ų105131.9 Ų131.973%0.73478%0.778SS**  cis-166.6146.6-12.644.50000113
379A36Very low34.1Very low95 Ų95135.9 Ų135.979%0.78578%0.782SS**  trans73.4158.614800000121.1
380P43.7Very low34.2Very low116 Ų116134.4 Ų134.475%0.75378%0.779SS**  trans-113.6-155.8-171.246.7-33.1000110.8
381P47.6Very low34.3Very low105 Ų105131.7 Ų131.768%0.68278%0.78SS**  cis-141.7-163.11.335.3-10.3000116.6
382T31.1Very low34.1Very low131 Ų131128.3 Ų128.380%0.80478%0.777SS**  trans111119155.564.90000118.9
383D31.6Very low34.3Very low149 Ų149128.8 Ų128.880%0.79777%0.773SS**  trans-82.1161.4161.9-50.9-82.3000110.6
384P45.7Very low34.3Very low125 Ų125130.6 Ų130.681%0.81278%0.775SS**  -144.1167.583.137.1-20000116.1
385V35.3Very low34.5Very low134 Ų134130.2 Ų130.281%0.81278%0.78SS**  trans-99.7141.5179.6175.40000111.1
386P43.4Very low34.7Very low109 Ų109132.2 Ų132.271%0.70879%0.787SS**  -146.6164.6128.438-22.9000117
387S29.6Very low35.2Very low113 Ų113134 Ų13479%0.7979%0.792SS**  trans61.6113.6152.754.20000122.2
388L36Very low35.4Very low159 Ų159133.9 Ų133.983%0.83279%0.791SS**  trans-49.9132.2151.2175.682.4000114.1
389E33.8Very low35.5Very low175 Ų175135.1 Ų135.182%0.81879%0.793SS**  -177.5173.4125.6-98.4171.2-175.400111.1
390D32Very low35.5Very low145 Ų145135.7 Ų135.778%0.77579%0.789SS**  trans73.580.6-179.8-71.5-19.4000121.8
391I34.2Very low34.7Very low163 Ų163135.9 Ų135.984%0.83679%0.793SS**  31.4112.5119.3-49.6162.6000118.9
392S27.1Very low33.9Very low117 Ų117141.9 Ų141.982%0.81880%0.804SS**  -171.9162.1125.3-164.20000112
393C31.6Very low33.9Very low106 Ų106140.5 Ų140.572%0.71680%0.8SS**  trans-99.1164.7-177-70.90000113.8
394N31.9Very low33.8Very low156 Ų156138.1 Ų138.183%0.83479%0.794SS**  trans85.485.1169.4-48-50.4000117.7
395T33.1Very low32.9Very low132 Ų132138.4 Ų138.481%0.8180%0.798SS**  -167.3135.1129.8-79.30000109P397T395-P397 WeakPolarHBondContact O-CD 3.47Å
396W38.5Very low32.9Very low245 Ų245138 Ų13893%0.92880%0.796SS**PPolyproline II helixtrans-87.4119.2171.5-73.584.8000109.7
397P36.4Very low32.3Very low116 Ų116139.4 Ų139.475%0.75380%0.803SS**PPolyproline II helixtrans-75.5126.5174.529.3-32.5000111.1T395T395-P397 WeakPolarHBondContact O-CD 3.47Å
398S32.1Very low32.4Very low116 Ų116139.2 Ų139.281%0.81180%0.801SS**PPolyproline II helixtrans-62133.1176.1-55.40000111.8P400S398-P400 WeakPolarHBondContact O-CD 3.35Å
399V35.7Very low32.2Very low130 Ų130136.5 Ų136.579%0.78880%0.802SS**PPolyproline II helixtrans-70.4128.5175.5-171.40000109.9S401V399-S401 PolarHBondContact O-N 3.37Å
400P35.2Very low32.3Very low108 Ų108136.9 Ų136.970%0.70181%0.806SS**PPolyproline II helixtrans-65.1126.6174.1-22.434.2000112S398 Y402S398-P400 WeakPolarHBondContact O-CD 3.35Å; P400-Y402 PolarHBondContact O-N 3.28Å
401S27.4Very low32.5Very low119 Ų119138.9 Ų138.983%0.83281%0.81SS**  trans-68.8111.6170.6-630000110.2V399 S403V399-S401 PolarHBondContact O-N 3.37Å; S401-S403 PolarHBondContact O-N 3.45Å; S401-S403 VanDerWaalsContact O-N 3.11Å
402Y29.1Very low32.8Very low232 Ų232137 Ų13791%0.9181%0.808SS**  trans-64.8111.3169.3-106-91.5000109.9P400P400-Y402 PolarHBondContact O-N 3.28Å
403S32.1Very low33.2Very low102 Ų102140 Ų14071%0.71381%0.812SS**  trans-76.5143.5173.943.50000111.3S401S401-S403 PolarHBondContact O-N 3.45Å; S401-S403 VanDerWaalsContact O-N 3.11Å
404S29.8Very low33.4Very low98 Ų98142.5 Ų142.569%0.68582%0.818SS**  trans-29.1126.1169.151.10000116T406S404-T406 PolarHBondContact O-N 2.6Å
405C27.1Very low33.6Very low132 Ų132146.6 Ų146.689%0.89282%0.822SS**  trans-62.5115.5153.3-61.30000108.6
406T34.5Very low33.8Very low124 Ų124148.3 Ų148.376%0.76183%0.825SS**PPolyproline II helixtrans-80.2135.3174.740.10000110.6S404S404-T406 PolarHBondContact O-N 2.6Å
407V30.7Very low33.9Very low140 Ų140142.5 Ų142.585%0.84882%0.819SS**PPolyproline II helixtrans-78.5125179176.20000109.7A409V407-A409 PolarHBondContact O-N 3.03Å
408S32.1Very low33.6Very low108 Ų108147.4 Ų147.476%0.75582%0.824SS**PPolyproline II helixtrans-65.3122.3168.8-59.40000110.3
409A32.6Very low33.7Very low103 Ų103149.8 Ų149.885%0.85182%0.822SS**PPolyproline II helixtrans-73.7127173.700000110.6V407V407-A409 PolarHBondContact O-N 3.03Å
410M35.1Very low33.5Very low182 Ų182151.7 Ų151.790%0.89782%0.822SS**  trans-111.7146.3164.5-59.5-167.181.900109.1
411Q36.7Very low33.4Very low187 Ų187155.4 Ų155.487%0.87483%0.828SS**  trans-74.6160.6179.3-96.5-171.6-14.400112.2
412P40.3Very low33.8Very low123 Ų123154.4 Ų154.480%0.79982%0.821SS**  trans-71.9151.7-164.628.9-36.3000113.7
413M36Very low34Very low181 Ų181148.1 Ų148.189%0.89282%0.817SS**  trans-135.2146.4170.3-122.3-69.9-17500108.2
414D35.8Very low34Very low158 Ų158151.9 Ų151.985%0.84582%0.823SS**  trans-74.2153.4-162.2-79.5-67.6000115.6
415R36Very low34.1Very low243 Ų243157.2 Ų157.292%0.91783%0.834SS**  trans-79.2122.2177.2-85.6179.5164.5171.2-4.3111.6
416L37.5Very low34.4Very low167 Ų167157.3 Ų157.387%0.87483%0.83SS**  trans-110.5135.8154.4-65.6177.2000109.7
417P39.2Very low34.3Very low124 Ų124157.2 Ų157.281%0.80584%0.835SS**PPolyproline II helixtrans-83.3131.7-17531.8-33.8000112.5
418Y30.3Very low34.5Very low219 Ų219153.9 Ų153.986%0.85983%0.829SS**PPolyproline II helixtrans-87.2145171.5-164.1-96.1000111.1
419Q35.5Very low34.6Very low165 Ų165154.8 Ų154.877%0.77183%0.832SS**PPolyproline II helixtrans-78150.2-175.1-72.5-171.1-19.200113.4
420H31Very low34.8Very low170 Ų170158.3 Ų158.379%0.78784%0.836SS**  trans-96.8113.7174.1-153.5-71.7000109.8S422H420-S422 PolarHBondContact ND1-OG 3.1Å
421F33.8Very low35Very low187 Ų187158.1 Ų158.182%0.8284%0.835SS**  trans-72.6135.9162.3-84.2-92.4000109.1
422S34.9Very low35Very low98 Ų98154.6 Ų154.669%0.68583%0.828SS**  trans-134.5128172-71.70000108.7H420H420-S422 PolarHBondContact ND1-OG 3.1Å
423A33.1Very low34.7Very low99 Ų99160.2 Ų160.282%0.81883%0.833SS**  trans-71.5147.9-174.800000112.3
424H32.9Very low34.5Very low181 Ų181160.1 Ų160.184%0.83884%0.836SS**  trans-69.2133.5172.6-60.1-87.1000111
425F32.3Very low34.3Very low210 Ų210157.9 Ų157.992%0.92183%0.832SS**  trans-132.9134.4155.2-110.6-87000108.6
426T33.2Very low34Very low134 Ų134151.9 Ų151.982%0.82283%0.828SS**  trans-108.4129.1-172.646.50000110.9
427S32Very low33.8Very low122 Ų122150.7 Ų150.785%0.85383%0.827SS**  trans-153.286.3171.3610000110.3
428G35.5Very low33.4Very low70 Ų70148.6 Ų148.672%0.72282%0.82SS**  trans-94.4145170.900000111.3
429P34Very low33.4Very low127 Ų127145.1 Ų145.183%0.82582%0.817SS**  trans-80.8140.4171.833-32.8000110.9
430L36.4Very low33.3Very low177 Ų177146.7 Ų146.793%0.92782%0.823SS**  trans-129.6132.3168.4-73176.5000110.5
431M38.4Very low33.3Very low179 Ų179145.3 Ų145.388%0.88283%0.827SS**  trans-85.2160.4175.3-89.5-71.5174.300111.2
432P37.9Very low33.1Very low113 Ų113141.6 Ų141.673%0.73483%0.825SS**  trans-75.7157.2-159.929.8-36.8000114.5
433R32.6Very low33.5Very low240 Ų240142.6 Ų142.691%0.90683%0.828SS**  trans-117.2126.9164.9-75.5-71.6-175.6159-1.3109.4
434L32.7Very low33.4Very low179 Ų179145.5 Ų145.594%0.93783%0.825SS**  trans-76.9133.3169-76159.9000109.5
435S30.6Very low33.4Very low111 Ų111144.4 Ų144.478%0.77682%0.824SS**  trans-142.8138.1169-750000110.5
436S29.5Very low33.3Very low117 Ų117137.7 Ų137.782%0.81881%0.814SS**  trans-36.8139179.7-170.80000116.6
437V33.3Very low33.2Very low143 Ų143138.4 Ų138.487%0.86781%0.813SS**  trans-120.4118.9155.7177.20000107.6
438A31.9Very low33.1Very low80 Ų80138.5 Ų138.566%0.66181%0.809SS**  trans-101.3147.7171.500000110.5
439N30.8Very low33.1Very low146 Ų146144.1 Ų144.178%0.78182%0.816SS**  trans-41.5137.3-176.4-50.9-30.4000115.6
440H33.5Very low33.1Very low197 Ų197143.3 Ų143.391%0.91281%0.813SS**  trans-142.3153134.2-78.7-57.3000110.3
441T30.3Very low33Very low142 Ų142143.8 Ų143.887%0.87181%0.813SS**  trans-94.7157-16141.30000114.5
442S29.4Very low32.8Very low109 Ų109144.4 Ų144.476%0.76281%0.811SS**  trans-141.6132.1169.7179.80000110.2
443P43Very low32.6Very low118 Ų118148 Ų14877%0.76682%0.818SS**  trans-104125.7173.434.9-27.3000113
444Q32.3Very low32.6Very low161 Ų161144.6 Ų144.675%0.75281%0.812SS**  trans-113.4121.1151.9-69.2-82.2-2.500104.5
445I32.1Very low32.5Very low157 Ų157145.2 Ų145.281%0.80581%0.81SS**  57108.278.1-58.3178.8000110.8
446G29.7Very low32.6Very low70 Ų70145.9 Ų145.972%0.72281%0.81SS**  trans175.891-177.800000111.5
447D30.5Very low32.7Very low149 Ų149146 Ų14680%0.79781%0.811SS**  trans7129.6165.5-50.9-42.8000120.7
448T31.1Very low32.8Very low124 Ų124145.6 Ų145.676%0.76181%0.808SS**  176.7163.399.631.60000113.8
449H35Very low32.8Very low188 Ų188146.1 Ų146.187%0.8781%0.807SS**  trans105.6120.2164.4-68.3-80000118.1
450S33.8Very low32.8Very low110 Ų110148 Ų14877%0.76981%0.811SS**  trans-114.4137.8175.7172.90000109.6
451M35.3Very low32.8Very low186 Ų186146.5 Ų146.592%0.91680%0.804SS**  trans-153.5159.9157.4-86.1-137-77.200111.2
452F34.2Very low33.6Very low193 Ų193145.3 Ų145.385%0.84680%0.798SS**  trans-82151.5-170.5-74.9-118.6000113.5
453Q32.4Very low34Very low187 Ų187147.1 Ų147.187%0.87480%0.798SS**  -177.4170.6100.7-97.8-168.6-2.500114.4
454H33Very low33.4Very low169 Ų169148 Ų14878%0.78280%0.801SS**  trans-75.7154.7-176.1-58.2-105.3000113.8
455Q30.5Very low33.3Very low193 Ų193151.7 Ų151.790%0.90281%0.808SS**  -166.6172.5110.1-108.3174.869.400114.6
456T33.4Very low33.4Very low125 Ų125152.8 Ų152.877%0.76781%0.81SS**  trans-113.4151.9-167.650.90000113.2
457S31.6Very low33.5Very low120 Ų120155.4 Ų155.484%0.83982%0.815SS**  trans177.1177.2138.445.30000111.1
458V34.5Very low33.4Very low134 Ų134151.8 Ų151.881%0.81281%0.813SS**  trans-143.2152.1-164.2-151.20000112.2
459S31.7Very low34.9Very low91 Ų91151.7 Ų151.764%0.63682%0.815SS**  trans89148.3141.376.30000123
460H31.3Very low34.9Very low186 Ų186150.6 Ų150.686%0.86181%0.81SS**  trans91.5132.8154.6-65.9-61.4000123.7
461Q34.7Very low34.9Very low164 Ų164151.7 Ų151.777%0.76681%0.813SS**  trans-97.9164.3169.5-92.3-103.6-14.600109.9
462P46.8Very low34.6Very low117 Ų117146.2 Ų146.276%0.7680%0.803SS**  -154.3129.6108.135.2-15.5000118.9
463I36.6Very low34.6Very low147 Ų147144.5 Ų144.575%0.75480%0.802SS**  35.4128119.3-53.2171.1000120.9
464V30.7Very low34.5Very low137 Ų137144.6 Ų144.683%0.8380%0.802SS**  trans171.6144.3146132.50000110.1
465R30.1Very low34.5Very low239 Ų239141.6 Ų141.690%0.90280%0.8SS**  cis-152.3-150.6-18.8-138.9-180-169.8-172.82.3110
466Q35.3Very low35.5Very low180 Ų180137.8 Ų137.884%0.84179%0.792SS**  trans-155.5170.3-168.1-154.1177.82400114.7
467C31.9Very low36.6Very low124 Ų124136.9 Ų136.984%0.83879%0.788SS**  trans102150.5159.3-600000121.8
468G28.5Very low36.5Very low73 Ų73136.2 Ų136.275%0.75378%0.784SS**  trans-105-133.8-176.900000114.4
469P62Low36.3Very low123 Ų123137 Ų13780%0.79978%0.783SS**  cis-146.2-1591.535.4-8.9000116.5
470Q34Very low36.4Very low164 Ų164140.7 Ų140.777%0.76680%0.795SS**  trans115141.4148.6-77.2-70.89.100124.9
471T33.9Very low36.6Very low134 Ų134140.1 Ų140.182%0.82279%0.793SS**  trans61.9151.6166.760.70000121
472G29.8Very low36.6Very low70 Ų70138.1 Ų138.172%0.72279%0.794SS**  cis169.2154.1-14.100000116.7
473I34.2Very low36Very low158 Ų158137.3 Ų137.381%0.8180%0.797SS**  trans76.9121.2149.5-66.4178000123.9
474Q29.6Very low35.7Very low188 Ų188137.5 Ų137.588%0.87980%0.795SS**  trans65163.3146.2-71.3172.921.200125.3
475S32.4Very low35.8Very low106 Ų106141.3 Ų141.374%0.74180%0.801SS**  trans-138.6-168.1-177.763.50000108.8
476P52.3Low35.9Very low113 Ų113135.5 Ų135.573%0.73479%0.787SS**  cis-133.1-139.82.944.9-23.3000111.2
477P56.1Low35.6Very low106 Ų106137.9 Ų137.969%0.68879%0.79SS**  cis-134.6179-23.239.6-21.8000117.2
478S30.8Very low35.6Very low107 Ų107136.1 Ų136.175%0.74878%0.779SS**  trans108.2131.9136.678.40000123.3
479N29.4Very low35.8Very low150 Ų150141.9 Ų141.980%0.80279%0.786SS**  trans56.2107.4147.3-81.4-8.1000123.3
480L33.6Very low34.4Very low169 Ų169139.3 Ų139.389%0.88578%0.782SS**  -173.2162.889.9-98.1168.2000112.2
481Q36Very low34.7Very low174 Ų174137.9 Ų137.981%0.81378%0.784SS**  trans-106.9156.7-178.8-72.5-172.8-28.600113.4
482P34.9Very low35.2Very low122 Ų122137.4 Ų137.479%0.79278%0.783SS**PPolyproline II helixtrans-87.1144.3144.435.4-28.9000110.9
483A33.4Very low35.7Very low100 Ų100144.7 Ų144.783%0.82679%0.789SS**PPolyproline II helixtrans-82.7153.5-175.100000114.1
484E30.8Very low35.8Very low151 Ų151143.4 Ų143.471%0.70679%0.789SS**PPolyproline II helixtrans-77.8158.8172.9-54.2176121.800112
485F31.8Very low35.8Very low217 Ų217142.2 Ų142.295%0.95279%0.787SS**  -146.6132.5127.9-105.7-71.5000110.1
486L33.2Very low35.9Very low116 Ų116142.4 Ų142.461%0.60779%0.789SS**  trans-94.3153.8-174.1-68.5157.3000111.3
487Y29.7Very low36.1Very low230 Ų230142.2 Ų142.290%0.90279%0.788SS**  -151.6151.5117.3-108.5-74000109.9
488S30.4Very low34.9Very low87 Ų87145 Ų14561%0.60879%0.791SS**  trans-138.1155.5-175.1-68.60000110.4
489H34.2Very low35Very low194 Ų194147.3 Ų147.390%0.89879%0.79SS**  trans161.8141.2151.7-79.6-49.7000106.9
490G31.2Very low35.3Very low70 Ų70151.5 Ų151.572%0.72280%0.796SS**  cis173.7123-7.100000108.7
491V40.3Very low35.3Very low134 Ų134151.7 Ų151.781%0.81279%0.792SS**  trans-102.7147.4-177.6-1740000109.6
492P44.8Very low35.3Very low123 Ų123148.3 Ų148.380%0.79979%0.788SS**  trans-127.6138.5136.334.9-26.4000112.6
493R40.3Very low35.2Very low223 Ų223149.1 Ų149.184%0.84279%0.79SS**  trans-84.4154.2161.4-67.8175170.8174.6-4.1108.5
494T36.7Very low35.3Very low132 Ų132153.4 Ų153.481%0.8179%0.793SS**  168.4171.2113.437.20000112.3
495L30.6Very low35.2Very low162 Ų162149.9 Ų149.985%0.84880%0.797SS**  trans90.4138.4167.3-52.8-178000118.1
496S33.2Very low35.3Very low110 Ų110146.8 Ų146.877%0.76980%0.795SS**  trans-150.5-170.1174.7-54.40000106
497P55.9Low35.1Very low110 Ų110144.2 Ų144.271%0.71480%0.797SS**  -120.3147.2-100.334.8-18.9000115.2
498H31.8Very low35.3Very low165 Ų165141.8 Ų141.876%0.76480%0.796SS**  trans-131.3125.1161-69.1-71.1000107.7
499Q34Very low35.8Very low154 Ų154143.5 Ų143.572%0.7280%0.802SS**  62.411273.4-78.3-174.9-42.900113.7
500Y35Very low36.3Very low239 Ų239139.4 Ų139.494%0.93779%0.793SS**  trans-136.5150.1153.9-110.8-90.2000108.7
501H32.4Very low36.4Very low172 Ų172143.5 Ų143.580%0.79679%0.794SS**  trans-94.4163.8-167.5-99.6-101000114.7
502S36.3Very low36.3Very low104 Ų104148.8 Ų148.873%0.72780%0.799SS**  trans-71.5157.7175.1-173.20000113.5
503V33.5Very low36.2Very low138 Ų138147.4 Ų147.484%0.83679%0.792SS**  trans-134.8139.5164.1-176.30000109
504H34.4Very low36.6Very low191 Ų191145.4 Ų145.488%0.88479%0.793SS**  trans-76.4155.9-178.6-77.4-110.8000113.5
505G30.4Very low36.9Very low76 Ų76146.9 Ų146.978%0.78480%0.795SS**  trans-170.3106.5168.200000114.2
506V32.8Very low37.4Very low152 Ų152148.3 Ų148.392%0.92182%0.819SS**  trans-44.1142.1166.9-177.90000111.4
507G30.2Very low37.7Very low62 Ų62150.2 Ų150.264%0.63982%0.821SS**  cis118.9119.51200000110.9
508M32.3Very low36.7Very low180 Ų180152.3 Ų152.389%0.88783%0.827SS**  trans-163.9143.8170.7-97.5-98.176.700109.5
509V40.9Very low37Very low122 Ų122151.6 Ų151.674%0.73983%0.83SS**  trans-117.4140.1177.2172.50000108.8
510P45.7Very low37.1Very low109 Ų109151.5 Ų151.571%0.70884%0.837SS**  trans-107.3103.3156.732.1-21.1000110.2
511E33.5Very low37.3Very low156 Ų156146 Ų14673%0.72983%0.831SS**  trans-66.8141.7166.2-176.2-173.8140.500109.7S513E511-S513 PolarHBondContact OE1-OG 3.14Å
512W37.5Very low37.6Very low245 Ų245144.3 Ų144.393%0.92883%0.833SS**  trans-128.3111169.3-85.665.2000108.6
513S42.6Very low37.7Very low94 Ų94147.1 Ų147.166%0.65784%0.841SS**  trans-93.8156.7-170.5-17.40000112.4E511E511-S513 PolarHBondContact OE1-OG 3.14Å
514E49Very low38Very low181 Ų181147.8 Ų147.885%0.84684%0.841SS**  trans-72.4123.9168.3-71.5171.577.300111.3
515N42.8Very low38.3Very low162 Ų162144.3 Ų144.387%0.86684%0.837SS**  165.5120.2124.7-88.9-44.1000112.4
516S42.1Very low39Very low192 Ų192150.5 Ų150.5100%1.34384%0.842SS**  trans-166.70131-171.70000110.9

Retrieved 516 of 516 residues in 231 ms (Link to these results)