A0A096MKV9_PAPAN Loading...

Monocyte differentiation antigen CD14

Coreceptor for bacterial lipopolysaccharide. In concert with LBP, binds to monomeric lipopolysaccharide and delivers it to the LY96/TLR4 complex, thereby mediating the innate immune response to bacterial lipopolysaccharide (LPS). Acts via MyD88, TIRAP and TRAF6, leading to NF-kappa-B activation, cytokine secretion and the inflammatory response. Acts as a coreceptor for TLR2:TLR6 heterodimer in response to diacylated lipopeptides and for TLR2:TLR1 heterodimer in response to triacylated lipopeptides, these clusters trigger signaling from the cell surface and subsequently are targeted to the Golgi in a lipid-raft dependent pathway. Binds electronegative LDL (LDL(-)) and mediates the cytokine release induced by LDL(-).

AlphaFold DB , UniProt , Accession A0A096MKV9, Species PAPAN (Papio anubis, Olive baboon), Gene CD14, Length 375 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
1M39.4Very low40.9Very low239 Ų239138.2 Ų138.2100%1.17773%0.727SS**  0630-155.9178.6-74.900106.3
2E38.6Very low40.7Very low183 Ų183135.3 Ų135.386%0.85571%0.711SS**  trans-147.749.2-161.5-73.2-179.6126.100110.6
3R39.4Very low40.8Very low233 Ų233131.5 Ų131.588%0.87970%0.7SS**SBendtrans-128.2-1175.4-74.5-170.9176.6177.3-1.1114.4
4A39.7Very low40.7Very low85 Ų85132.6 Ų132.670%0.70270%0.704SS**SBendtrans-87.7-19.8177.100000113.6
5S46.2Very low40.4Very low88 Ų88130.7 Ų130.762%0.61570%0.7SS**Hα-helixtrans-83.9-19.1-173.5-59.50000115.1L9S5-L9 WeakPolarHBondContact O-CD1 3.47Å
6C40Very low40Very low92 Ų92132.5 Ų132.562%0.62270%0.702SS**Hα-helixtrans-81.2-23.9-179.8-80.70000114L9 L10C6-L9 PolarHBondContact O-N 3.34Å; C6-L10 PolarHBondContact O-N 3.49Å
7L39.7Very low39.9Very low127 Ų127131.9 Ų131.967%0.66570%0.704SS**Hα-helixtrans-76.4-28.7176.5-102.2143.3000112.3
8L40.8Very low39.7Very low128 Ų128129.4 Ų129.467%0.6770%0.699SS**Hα-helixtrans-72.4-30.6172.4-128.882.1000112.2L11L8-L11 PolarHBondContact O-N 3.41Å
9L43.3Very low39.5Very low111 Ų111127.7 Ų127.758%0.58170%0.704SS**Hα-helixtrans-75-21.6176.5-81158.6000113.8S5 C6 L11 L12S5-L9 WeakPolarHBondContact O-CD1 3.47Å; C6-L9 PolarHBondContact O-N 3.34Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L12 HydrophobicContact CD2-CD1 3.85Å; L9-L12 HydrophobicContact CG-CD1 4.4Å
10L44Very low39.8Very low132 Ų132126.8 Ų126.869%0.69170%0.703SS**THydrogen-bonded Turntrans-82.4-10.8173.5-82.4158.7000113.6C6 P13C6-L10 PolarHBondContact O-N 3.49Å; L10-P13 VanDerWaalsContact O-CD 3.26Å; L10-P13 WeakPolarHBondContact O-CD 3.26Å
11L39.2Very low40.3Very low102 Ų102126.7 Ų126.753%0.53471%0.706SS.*THydrogen-bonded Turntrans-98.6-10.7174-68.5169.3000113L8 L9 P13 L14L8-L11 PolarHBondContact O-N 3.41Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L11-P13 VanDerWaalsContact C-N 3.33Å; L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 WeakPolarHBondContact O-CB 3.5Å; L11-L14 PolarHBondContact O-N 3.15Å; L11-L14 VanDerWaalsContact O-N 3.15Å
12L37.8Very low41.4Very low103 Ų103119.9 Ų119.954%0.53968%0.68SS.*G310 helixtrans-64.9-17.9173.7-92143.7000116L9 L14L9-L12 HydrophobicContact CD2-CD1 3.85Å; L9-L12 HydrophobicContact CG-CD1 4.4Å; L12-L14 VanDerWaalsContact C-N 3.3Å
13P42Very low43.2Very low87 Ų87116.8 Ų116.857%0.56567%0.665SS**G310 helixtrans-76.3-13.9169.6-824.8000113.7L10 L11 V15L10-P13 VanDerWaalsContact O-CD 3.26Å; L10-P13 WeakPolarHBondContact O-CD 3.26Å; L11-P13 VanDerWaalsContact C-N 3.33Å; P13-V15 VanDerWaalsContact C-N 3.25Å; P13-V15 PolarHBondContact O-N 3.46Å
14L39.3Very low45.4Very low146 Ų146107.8 Ų107.876%0.76464%0.637SS**G310 helixtrans-81-4.1176-78.8157.5000113.2L11 L12L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 WeakPolarHBondContact O-CB 3.5Å; L11-L14 PolarHBondContact O-N 3.15Å; L11-L14 VanDerWaalsContact O-N 3.15Å; L12-L14 VanDerWaalsContact C-N 3.3Å
15V36.8Very low47.9Very low105 Ų105103.7 Ų103.764%0.63660%0.603SS**G310 helixtrans-110.417174.6-155.80000111.2P13 V17P13-V15 VanDerWaalsContact C-N 3.25Å; P13-V15 PolarHBondContact O-N 3.46Å; V15-V17 PolarHBondContact O-N 2.77Å
16H34.1Very low50.1Low159 Ų159105.1 Ų105.174%0.73660%0.6SS**  trans-68.183148.7-82.432.5000106.5S18H16-S18 PolarHBondContact O-N 2.84Å
17V37.3Very low52.7Low122 Ų122103 Ų10374%0.73958%0.582SS**  trans-48.794.7145.6177.50000103.4V15 A19V15-V17 PolarHBondContact O-N 2.77Å; V17-A19 PolarHBondContact O-N 3Å
18S36.6Very low55.1Low88 Ų8899.6 Ų99.662%0.61557%0.565SS**  trans-41.5119.8152.2-82.20000103.4H16 T20H16-S18 PolarHBondContact O-N 2.84Å; S18-T20 PolarHBondContact O-N 2.96Å
19A36.2Very low57.2Low96 Ų96101.5 Ų101.579%0.79358%0.575SS**  trans-57.986.815500000103.5V17 T21V17-A19 PolarHBondContact O-N 3Å; A19-T21 PolarHBondContact O-N 2.65Å
20T45.2Very low59.3Low109 Ų109104.2 Ų104.267%0.66959%0.585SS**  trans-55.7112.2173370000102S18 P22S18-T20 PolarHBondContact O-N 2.96Å; T20-P22 VanDerWaalsContact O-CD 3.26Å; T20-P22 WeakPolarHBondContact O-CD 3.35Å
21T51.4Low61.3Low125 Ų125101.4 Ų101.477%0.76757%0.571SS**  trans-45.5115.415843.70000104.5A19 E23A19-T21 PolarHBondContact O-N 2.65Å; T21-E23 PolarHBondContact O-N 3.01Å
22P62.8Low63.9Low97 Ų97100.6 Ų100.663%0.6356%0.563SS**  trans-52.4133.5-175.512.2-21.7000107.6T20T20-P22 VanDerWaalsContact O-CD 3.26Å; T20-P22 WeakPolarHBondContact O-CD 3.35Å
23E74.8Confident66.6Low117 Ų117100.7 Ų100.755%0.54756%0.556SS.*  trans-55.6142.5178.3-72-172.1-177.400108.1T21 C25 Q50T21-E23 PolarHBondContact O-N 3.01Å; E23-C25 PolarHBondContact O-N 3.27Å; E23-Q50 PolarHBondContact OE2-NE2 2.95Å
24P86.1Confident69.3Low44 Ų4496.5 Ų96.529%0.28653%0.529SS..SBendtrans-56.7-24.7-175.1-27.435.6000113.1C36 N37 F38 E47P24-C36 CarbonylContact O-C 3.58Å; P24-C36 WeakPolarHBondContact O-CA 3.44Å; P24-N37 PolarHBondContact O-N 2.91Å; P24-F38 HydrophobicContact CB-CD1 4.13Å; P24-F38 HydrophobicContact CB-CE1 3.92Å; P24-E47 HydrophobicContact CB-CB 4.1Å; P24-E47 HydrophobicContact CB-CG 4.32Å; P24-E47 HydrophobicContact CG-CB 4.33Å; P24-E47 HydrophobicContact CG-CG 3.99Å
25C93.1Very high72Confident0 Ų092 Ų920%051%0.508CS..EExtended strand (participates in β ladder)trans-128.1135.4172.6-63.50000110.4E23 V35 C36 F38 E47 Q50E23-C25 PolarHBondContact O-N 3.27Å; C25-V35 CarbonylContact C-O 3.59Å; C25-V35 WeakPolarHBondContact CA-O 3.49Å; C25-C36 HydrophobicContact CB-CB 4.14Å; C25-C36 WeakPolarHBondContact CB-SG 3.15Å; C25-C36 WeakPolarHBondContact SG-CB 3.37Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.67Å; C25-F38 VanDerWaalsContact SG-CZ 3.54Å; C25-E47 VanDerWaalsContact SG-C 3.6Å; C25-E47 PolarHBondContact SG-O 3.1Å; C25-Q50 PolarHBondContact O-OE1 3.32Å
26E92.4Very high74.8Confident117 Ų11787.1 Ų87.155%0.54748%0.478SS..EExtended strand (participates in β ladder)trans-120.7120.2175.4-66.2-179.517500109C34 V35E26-C34 CarbonylContact O-C 3.55Å; E26-C34 WeakPolarHBondContact O-CA 3.41Å; E26-V35 PolarHBondContact N-O 2.89Å; E26-V35 PolarHBondContact O-N 3.44Å
27L93Very high77.7Confident48 Ų4883.8 Ų83.825%0.25147%0.466SS..EExtended strand (participates in β ladder)trans-96.3130.6173.4-175.965.3000109.3N31 C34 S53 A54L27-N31 HydrophobicContact CD2-CB 4.2Å; L27-N31 WeakPolarHBondContact CD2-OD1 3.34Å; L27-C34 HydrophobicContact CD1-CB 3.77Å; L27-S53 WeakPolarHBondContact CD2-OG 3.36Å; L27-A54 HydrophobicContact CD1-CB 3.74Å
28D91.2Very high80.4Confident55 Ų5578.1 Ų78.129%0.29443%0.431SS..  trans-66159.917768.51.5000112.9E30 N31 F32 R33D28-E30 PolarHBondContact O-N 3.27Å; D28-E30 VanDerWaalsContact O-N 3.08Å; D28-N31 PolarHBondContact O-N 3.27Å; D28-N31 WeakPolarHBondContact OD1-CA 3.32Å; D28-N31 PolarHBondContact OD1-N 3.21Å; D28-F32 PolarHBondContact OD1-N 3.3Å; D28-R33 VanDerWaalsContact CG-O 3.29Å; D28-R33 PolarHBondContact N-O 2.63Å; D28-R33 PolarHBondContact OD1-N 2.74Å; D28-R33 WeakPolarHBondContact OD2-CB 3.38Å; D28-R33 PolarHBondContact OD2-N 3.08Å
29D84.3Confident83Confident168 Ų16876.4 Ų76.490%0.89842%0.42SS*.THydrogen-bonded Turntrans-59.3-26.3-176-64.7-35.4000113N31D29-N31 VanDerWaalsContact C-N 3.34Å
30E87.2Confident85.4Confident168 Ų16878.3 Ų78.379%0.78541%0.412SS*.THydrogen-bonded Turntrans-86.1-2.9178.6-63.3-168.817300113.5D28 F32D28-E30 PolarHBondContact O-N 3.27Å; D28-E30 VanDerWaalsContact O-N 3.08Å; E30-F32 HydrophobicContact CB-CB 4.27Å; E30-F32 PolarHBondContact O-N 3.25Å
31N86.1Confident87.2Confident74 Ų7477.5 Ų77.540%0.39641%0.408SS..SBendtrans53.333.1-171.6-54.6-96.9000112.6L27 D28 D29L27-N31 HydrophobicContact CD2-CB 4.2Å; L27-N31 WeakPolarHBondContact CD2-OD1 3.34Å; D28-N31 PolarHBondContact O-N 3.27Å; D28-N31 WeakPolarHBondContact OD1-CA 3.32Å; D28-N31 PolarHBondContact OD1-N 3.21Å; D29-N31 VanDerWaalsContact C-N 3.34Å
32F93.8Very high88.8Confident84 Ų8480.1 Ų80.137%0.36841%0.412SS..SBendtrans-96.2-51.8-179.7-178.7-93.8000111.4D28 E30 V55 E56D28-F32 PolarHBondContact OD1-N 3.3Å; E30-F32 HydrophobicContact CB-CB 4.27Å; E30-F32 PolarHBondContact O-N 3.25Å; F32-V55 HydrophobicContact CD2-CB 4.09Å; F32-V55 HydrophobicContact CD2-CG2 4.3Å; F32-V55 HydrophobicContact CE2-CB 4.04Å; F32-V55 HydrophobicContact CE2-CG1 4.09Å; F32-V55 PolarHBondContact O-N 3.05Å; F32-E56 HydrophobicContact CE1-CB 4.3Å; F32-E56 PolarHBondContact O-N 3.06Å
33R96.1Very high89.9Confident105 Ų10576.5 Ų76.540%0.39639%0.388SS..EExtended strand (participates in β ladder)trans-116.6131-177.3-175177179.9-171.20.6111.4D28 V35 E56 E58D28-R33 VanDerWaalsContact CG-O 3.29Å; D28-R33 PolarHBondContact N-O 2.63Å; D28-R33 PolarHBondContact OD1-N 2.74Å; D28-R33 WeakPolarHBondContact OD2-CB 3.38Å; D28-R33 PolarHBondContact OD2-N 3.08Å; R33-V35 HydrophobicContact CG-CG2 4.26Å; R33-E56 CarbonylContact C-O 3.55Å; R33-E56 WeakPolarHBondContact CA-O 3.26Å; R33-E56 HydrophobicContact CB-CB 4.41Å; R33-E56 HydrophobicContact CG-CB 4.37Å; R33-E56 HydrophobicContact CG-CG 4.3Å; R33-E56 IonicContact NE-OE1 2.85Å; R33-E58 IonicContact CZ-OE2 3.67Å; R33-E58 IonicContact NH2-OE2 3.89Å; R33-E58 PolarHBondContact NH2-OE2 3.34Å
34C97Very high90.6Very high0 Ų074.9 Ų74.90%038%0.383CS..EExtended strand (participates in β ladder)trans-119.8131.1172-159.30000110.3E26 L27 C51 A54 E56 V57 E58E26-C34 CarbonylContact O-C 3.55Å; E26-C34 WeakPolarHBondContact O-CA 3.41Å; L27-C34 HydrophobicContact CD1-CB 3.77Å; C34-C51 HydrophobicContact CB-CB 3.48Å; C34-C51 VanDerWaalsContact CB-CB 3.48Å; C34-C51 WeakPolarHBondContact CB-SG 3.44Å; C34-C51 WeakPolarHBondContact SG-CA 3.12Å; C34-C51 WeakPolarHBondContact SG-CB 3.4Å; C34-C51 CovalentContact SG-SG 2.02Å; C34-C51 PolarHBondContact SG-SG 3.19Å; C34-A54 HydrophobicContact CB-CB 3.74Å; C34-E56 PolarHBondContact N-O 3.22Å; C34-V57 HydrophobicContact CB-CG2 4.46Å; C34-V57 CarbonylContact O-C 3.56Å; C34-V57 WeakPolarHBondContact O-CA 3.46Å; C34-E58 PolarHBondContact O-N 3.08Å
35V96.5Very high90.7Very high52 Ų5276.7 Ų76.732%0.31539%0.385SS..EExtended strand (participates in β ladder)trans-119.5120.3177.8-177.40000108.8C25 E26 R33 E58C25-V35 CarbonylContact C-O 3.59Å; C25-V35 WeakPolarHBondContact CA-O 3.49Å; E26-V35 PolarHBondContact N-O 2.89Å; E26-V35 PolarHBondContact O-N 3.44Å; R33-V35 HydrophobicContact CG-CG2 4.26Å; V35-E58 HydrophobicContact CG1-CB 4.41Å; V35-E58 HydrophobicContact CG1-CG 4.5Å; V35-E58 HydrophobicContact CG2-CB 4.31Å
36C96.2Very high90.6Very high1 Ų179.5 Ų79.51%0.00740%0.404CS..EExtended strand (participates in β ladder)trans-109.2131.5175.3-64.20000111.5P24 C25 F38 C51 E58 I59 R60P24-C36 CarbonylContact O-C 3.58Å; P24-C36 WeakPolarHBondContact O-CA 3.44Å; C25-C36 HydrophobicContact CB-CB 4.14Å; C25-C36 WeakPolarHBondContact CB-SG 3.15Å; C25-C36 WeakPolarHBondContact SG-CB 3.37Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.67Å; C36-F38 HydrophobicContact CB-CD2 4.11Å; C36-F38 HydrophobicContact CB-CE2 3.48Å; C36-F38 VanDerWaalsContact CB-CE2 3.48Å; C36-F38 HydrophobicContact CB-CZ 3.79Å; C36-C51 PolarHBondContact SG-SG 3.46Å; C36-E58 PolarHBondContact N-O 3.44Å; C36-I59 HydrophobicContact CB-CG1 4.46Å; C36-R60 PolarHBondContact O-N 2.88Å
37N94.9Very high90.5Very high90 Ų9076.6 Ų76.648%0.48139%0.391SS..EExtended strand (participates in β ladder)trans-119.4102.6172.8-171.7-3000110.7P24 S39P24-N37 PolarHBondContact O-N 2.91Å; N37-S39 VanDerWaalsContact OD1-CB 3.27Å; N37-S39 WeakPolarHBondContact OD1-CB 3.33Å; N37-S39 PolarHBondContact OD1-N 3.48Å; N37-S39 PolarHBondContact OD1-OG 3.06Å
38F93.8Very high90.4Very high2 Ų276 Ų761%0.00939%0.393CS..  trans-101.539.6177.8-61-60000111.9P24 C25 C36 E40 P43 D44 W45 A48 I59 R60 L64P24-F38 HydrophobicContact CB-CD1 4.13Å; P24-F38 HydrophobicContact CB-CE1 3.92Å; C25-F38 VanDerWaalsContact SG-CZ 3.54Å; C36-F38 HydrophobicContact CB-CD2 4.11Å; C36-F38 HydrophobicContact CB-CE2 3.48Å; C36-F38 VanDerWaalsContact CB-CE2 3.48Å; C36-F38 HydrophobicContact CB-CZ 3.79Å; F38-E40 VanDerWaalsContact C-N 3.25Å; F38-E40 PolarHBondContact O-N 3.14Å; F38-P43 HydrophobicContact CB-CB 3.64Å; F38-P43 HydrophobicContact CB-CG 4.01Å; F38-P43 HydrophobicContact CD1-CB 3.84Å; F38-P43 HydrophobicContact CG-CB 4.14Å; F38-D44 WeakPolarHBondContact CE1-O 3.35Å; F38-W45 HydrophobicContact CB-CH2 4.05Å; F38-W45 HydrophobicContact CB-CZ3 4.02Å; F38-W45 HydrophobicContact CD1-CE3 4.4Å; F38-W45 AromaticContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CH2 4.31Å; F38-W45 AromaticContact CD2-CZ3 3.46Å; F38-W45 HydrophobicContact CD2-CZ3 3.46Å; F38-W45 VanDerWaalsContact CD2-CZ3 3.46Å; F38-W45 AromaticContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CZ3 4.04Å; F38-W45 AromaticContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CH2 4.32Å; F38-W45 AromaticContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CZ-CE3 4.34Å; F38-A48 HydrophobicContact CZ-CB 4.05Å; F38-I59 HydrophobicContact CD2-CG2 3.76Å; F38-I59 HydrophobicContact CE2-CG2 3.93Å; F38-R60 PolarHBondContact N-O 3.27Å; F38-L64 WeakPolarHBondContact O-CD1 3.37Å
39S90.3Very high90.4Very high53 Ų5381.1 Ų81.137%0.37141%0.412SS..  trans-75.2-11.5-179.7-61.70000114.2N37 G62N37-S39 VanDerWaalsContact OD1-CB 3.27Å; N37-S39 WeakPolarHBondContact OD1-CB 3.33Å; N37-S39 PolarHBondContact OD1-N 3.48Å; N37-S39 PolarHBondContact OD1-OG 3.06Å; S39-G62 WeakPolarHBondContact OG-CA 3.26Å; S39-G62 PolarHBondContact OG-N 3.21Å
40E87.8Confident90.8Very high135 Ų13576.1 Ų76.163%0.63138%0.384SS*.SBendtrans-65.5145.6177-70.1-59.1143.400111.4F38 H42 P43 L64F38-E40 VanDerWaalsContact C-N 3.25Å; F38-E40 PolarHBondContact O-N 3.14Å; E40-H42 PolarHBondContact O-N 2.88Å; E40-H42 VanDerWaalsContact O-N 3.09Å; E40-P43 WeakPolarHBondContact O-CD 3.33Å; E40-L64 WeakPolarHBondContact O-CD1 3.42Å
41P83.3Confident91.1Very high92 Ų9268.6 Ų68.660%0.59735%0.35SS*.SBendtrans-57.7-30-175.4-26.534.2000115.1
42H83.7Confident91.4Very high180 Ų18069 Ų6983%0.83336%0.355SS*.SBendtrans-130.676.9175.4-60.988.2000108.4E40E40-H42 PolarHBondContact O-N 2.88Å; E40-H42 VanDerWaalsContact O-N 3.09Å
43P86.9Confident91.3Very high22 Ų2266.7 Ų66.714%0.14335%0.349CS..  trans-72.5142.5-173.521.4-17.4000110.4F38 E40 W45 L64F38-P43 HydrophobicContact CB-CB 3.64Å; F38-P43 HydrophobicContact CB-CG 4.01Å; F38-P43 HydrophobicContact CD1-CB 3.84Å; F38-P43 HydrophobicContact CG-CB 4.14Å; E40-P43 WeakPolarHBondContact O-CD 3.33Å; P43-W45 HydrophobicContact CG-CH2 4.38Å; P43-W45 HydrophobicContact CG-CZ2 3.58Å; P43-W45 PolarHBondContact O-N 2.92Å; P43-W45 PolarHBondContact O-NE1 3.02Å; P43-L64 HydrophobicContact CG-CD1 4.24Å
44D88.7Confident91.3Very high83 Ų8361.7 Ų61.744%0.44433%0.33SS..  trans-82.897171.3-169.5-11.2000110F38 S46 E47F38-D44 WeakPolarHBondContact CE1-O 3.35Å; D44-S46 VanDerWaalsContact CG-OG 3.26Å; D44-S46 PolarHBondContact O-N 2.83Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.05Å; D44-S46 PolarHBondContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 2.91Å; D44-S46 PolarHBondContact OD2-OG 2.02Å; D44-E47 HydrophobicContact CB-CG 4.43Å; D44-E47 PolarHBondContact O-N 3.31Å
45W89Confident91.3Very high82 Ų8262.9 Ų62.931%0.31134%0.337SS..G310 helixtrans-68.1-14.4179.8-56.789000113.5F38 P43 E47 A48 V61 L66 F69F38-W45 HydrophobicContact CB-CH2 4.05Å; F38-W45 HydrophobicContact CB-CZ3 4.02Å; F38-W45 HydrophobicContact CD1-CE3 4.4Å; F38-W45 AromaticContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CE3 3.72Å; F38-W45 HydrophobicContact CD2-CH2 4.31Å; F38-W45 AromaticContact CD2-CZ3 3.46Å; F38-W45 HydrophobicContact CD2-CZ3 3.46Å; F38-W45 VanDerWaalsContact CD2-CZ3 3.46Å; F38-W45 AromaticContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CE3 3.92Å; F38-W45 HydrophobicContact CE2-CZ3 4.04Å; F38-W45 AromaticContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CE3 3.98Å; F38-W45 HydrophobicContact CG-CH2 4.32Å; F38-W45 AromaticContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CG-CZ3 3.81Å; F38-W45 HydrophobicContact CZ-CE3 4.34Å; P43-W45 HydrophobicContact CG-CH2 4.38Å; P43-W45 HydrophobicContact CG-CZ2 3.58Å; P43-W45 PolarHBondContact O-N 2.92Å; P43-W45 PolarHBondContact O-NE1 3.02Å; W45-E47 PolarHBondContact O-N 2.87Å; W45-A48 VanDerWaalsContact O-CB 3.23Å; W45-A48 WeakPolarHBondContact O-CB 3.46Å; W45-A48 PolarHBondContact O-N 3.02Å; W45-A48 VanDerWaalsContact O-N 3.16Å; W45-V61 HydrophobicContact CH2-CG1 3.86Å; W45-V61 HydrophobicContact CH2-CG2 4.11Å; W45-V61 HydrophobicContact CZ3-CG2 4.37Å; W45-L66 HydrophobicContact CH2-CD2 4.09Å; W45-L66 HydrophobicContact CZ2-CD2 4.13Å; W45-F69 AromaticContact CE2-CZ 3.63Å; W45-F69 HydrophobicContact CZ2-CE2 4.03Å; W45-F69 AromaticContact CZ2-CZ 3.89Å; W45-F69 HydrophobicContact CZ2-CZ 3.89Å; W45-F69 AromaticContact NE1-CZ 3.38Å
46S89.6Confident91.4Very high58 Ų5862.2 Ų62.241%0.40633%0.331SS..G310 helixtrans-67.5-24.1178.6730000112.1D44 A48 F49D44-S46 VanDerWaalsContact CG-OG 3.26Å; D44-S46 PolarHBondContact O-N 2.83Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.05Å; D44-S46 PolarHBondContact OD1-N 3.12Å; D44-S46 PolarHBondContact OD1-OG 2.91Å; D44-S46 PolarHBondContact OD2-OG 2.02Å; S46-A48 PolarHBondContact O-N 3.16Å; S46-A48 VanDerWaalsContact O-N 3.12Å; S46-F49 WeakPolarHBondContact O-CB 3.4Å; S46-F49 WeakPolarHBondContact O-CD2 3.35Å; S46-F49 PolarHBondContact O-N 3.12Å
47E90.5Very high91.5Very high57 Ų5762.9 Ų62.927%0.26634%0.335SS..G310 helixtrans-63.7-18.5174.3-62.4-59.3161.200112.8P24 C25 D44 W45 F49 Q50P24-E47 HydrophobicContact CB-CB 4.1Å; P24-E47 HydrophobicContact CB-CG 4.32Å; P24-E47 HydrophobicContact CG-CB 4.33Å; P24-E47 HydrophobicContact CG-CG 3.99Å; C25-E47 VanDerWaalsContact SG-C 3.6Å; C25-E47 PolarHBondContact SG-O 3.1Å; D44-E47 HydrophobicContact CB-CG 4.43Å; D44-E47 PolarHBondContact O-N 3.31Å; W45-E47 PolarHBondContact O-N 2.87Å; E47-F49 PolarHBondContact O-N 3.44Å; E47-F49 VanDerWaalsContact O-N 3.1Å; E47-Q50 WeakPolarHBondContact O-CB 3.08Å; E47-Q50 VanDerWaalsContact O-CG 3.32Å; E47-Q50 WeakPolarHBondContact O-CG 3.23Å; E47-Q50 PolarHBondContact O-N 3.39Å; E47-Q50 PolarHBondContact OE2-NE2 3.27Å
48A92.2Very high91.6Very high36 Ų3659.9 Ų59.930%0.29832%0.318SS..G310 helixtrans-60-21.8171.900000113.1F38 W45 S46 Q50 C51F38-A48 HydrophobicContact CZ-CB 4.05Å; W45-A48 VanDerWaalsContact O-CB 3.23Å; W45-A48 WeakPolarHBondContact O-CB 3.46Å; W45-A48 PolarHBondContact O-N 3.02Å; W45-A48 VanDerWaalsContact O-N 3.16Å; S46-A48 PolarHBondContact O-N 3.16Å; S46-A48 VanDerWaalsContact O-N 3.12Å; A48-Q50 PolarHBondContact O-N 3.36Å; A48-C51 WeakPolarHBondContact O-CB 3.05Å; A48-C51 PolarHBondContact O-N 2.94Å; A48-C51 VanDerWaalsContact O-N 3.12Å
49F91Very high91.7Very high161 Ų16161.6 Ų61.671%0.70633%0.327SS*.G310 helixtrans-66.2-20.8176.3-71.6-63.5000113S46 E47 C51 V52S46-F49 WeakPolarHBondContact O-CB 3.4Å; S46-F49 WeakPolarHBondContact O-CD2 3.35Å; S46-F49 PolarHBondContact O-N 3.12Å; E47-F49 PolarHBondContact O-N 3.44Å; E47-F49 VanDerWaalsContact O-N 3.1Å; F49-C51 PolarHBondContact O-N 2.98Å; F49-V52 WeakPolarHBondContact O-CB 3.03Å; F49-V52 WeakPolarHBondContact O-CG1 3.14Å; F49-V52 PolarHBondContact O-N 2.71Å
50Q91.4Very high92Very high63 Ų6361.7 Ų61.729%0.29432%0.319SS..G310 helixtrans-59.5-31.5172-60.8-166.914.400111.8E23 C25 E47 A48 V52E23-Q50 PolarHBondContact OE2-NE2 2.95Å; C25-Q50 PolarHBondContact O-OE1 3.32Å; E47-Q50 WeakPolarHBondContact O-CB 3.08Å; E47-Q50 VanDerWaalsContact O-CG 3.32Å; E47-Q50 WeakPolarHBondContact O-CG 3.23Å; E47-Q50 PolarHBondContact O-N 3.39Å; E47-Q50 PolarHBondContact OE2-NE2 3.27Å; A48-Q50 PolarHBondContact O-N 3.36Å; Q50-V52 VanDerWaalsContact C-N 3.27Å; Q50-V52 PolarHBondContact O-N 3.24Å
51C94.6Very high92.3Very high11 Ų1155.5 Ų55.57%0.07429%0.29CS..G310 helixtrans-80.33.7-178-57.60000115C34 C36 A48 F49 S53 A54 V57C34-C51 HydrophobicContact CB-CB 3.48Å; C34-C51 VanDerWaalsContact CB-CB 3.48Å; C34-C51 WeakPolarHBondContact CB-SG 3.44Å; C34-C51 WeakPolarHBondContact SG-CA 3.12Å; C34-C51 WeakPolarHBondContact SG-CB 3.4Å; C34-C51 CovalentContact SG-SG 2.02Å; C34-C51 PolarHBondContact SG-SG 3.19Å; C36-C51 PolarHBondContact SG-SG 3.46Å; A48-C51 WeakPolarHBondContact O-CB 3.05Å; A48-C51 PolarHBondContact O-N 2.94Å; A48-C51 VanDerWaalsContact O-N 3.12Å; F49-C51 PolarHBondContact O-N 2.98Å; C51-S53 PolarHBondContact O-N 3.21Å; C51-S53 VanDerWaalsContact O-N 3.14Å; C51-A54 WeakPolarHBondContact O-CB 3.26Å; C51-A54 PolarHBondContact O-N 3.45Å; C51-V57 HydrophobicContact CB-CG1 4.36Å; C51-V57 HydrophobicContact CB-CG2 4.2Å
52V91.3Very high92.6Very high83 Ų8353.2 Ų53.250%0.50328%0.283SS..G310 helixtrans-59.3-30.3-172.470.70000113.5F49 Q50 L89F49-V52 WeakPolarHBondContact O-CB 3.03Å; F49-V52 WeakPolarHBondContact O-CG1 3.14Å; F49-V52 PolarHBondContact O-N 2.71Å; Q50-V52 VanDerWaalsContact C-N 3.27Å; Q50-V52 PolarHBondContact O-N 3.24Å; V52-L89 HydrophobicContact CB-CD2 4.5Å; V52-L89 HydrophobicContact CG2-CD2 3.5Å; V52-L89 VanDerWaalsContact CG2-CD2 3.5Å
53S92.2Very high93Very high34 Ų3447 Ų4724%0.23827%0.269CS..G310 helixtrans-86.1-14.1-179.1590000113.7L27 C51 R90L27-S53 WeakPolarHBondContact CD2-OG 3.36Å; C51-S53 PolarHBondContact O-N 3.21Å; C51-S53 VanDerWaalsContact O-N 3.14Å; S53-R90 WeakPolarHBondContact O-CD 3.42Å
54A96.5Very high93.2Very high0 Ų048.4 Ų48.40%027%0.274CS..  trans-73.6152-172.500000113.2L27 C34 C51 V57 R90 V91L27-A54 HydrophobicContact CD1-CB 3.74Å; C34-A54 HydrophobicContact CB-CB 3.74Å; C51-A54 WeakPolarHBondContact O-CB 3.26Å; C51-A54 PolarHBondContact O-N 3.45Å; A54-V57 HydrophobicContact CB-CG2 3.99Å; A54-R90 CarbonylContact O-C 3.6Å; A54-R90 VanDerWaalsContact O-C 3.29Å; A54-V91 WeakPolarHBondContact O-CA 3.31Å; A54-V91 PolarHBondContact O-N 2.87Å; A54-V91 VanDerWaalsContact O-N 3.14Å
55V97.1Very high93.5Very high26 Ų2646.5 Ų46.516%0.15827%0.267CS..SBendtrans-93.9-35.6174.4178.90000110.8F32 R90 V91 R92 R93F32-V55 HydrophobicContact CD2-CB 4.09Å; F32-V55 HydrophobicContact CD2-CG2 4.3Å; F32-V55 HydrophobicContact CE2-CB 4.04Å; F32-V55 HydrophobicContact CE2-CG1 4.09Å; F32-V55 PolarHBondContact O-N 3.05Å; V55-R90 HydrophobicContact CG2-CB 4.5Å; V55-V91 WeakPolarHBondContact O-CA 3.39Å; V55-R92 HydrophobicContact CG1-CB 3.99Å; V55-R92 HydrophobicContact CG1-CG 3.96Å; V55-R92 PolarHBondContact O-N 3.21Å; V55-R93 PolarHBondContact O-N 2.87Å; V55-R93 VanDerWaalsContact O-N 3.1Å
56E97.9Very high93.7Very high38 Ų3843.9 Ų43.918%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-115.5124.9176.9-174.4167146.400109.5F32 R33 C34 R93F32-E56 HydrophobicContact CE1-CB 4.3Å; F32-E56 PolarHBondContact O-N 3.06Å; R33-E56 CarbonylContact C-O 3.55Å; R33-E56 WeakPolarHBondContact CA-O 3.26Å; R33-E56 HydrophobicContact CB-CB 4.41Å; R33-E56 HydrophobicContact CG-CB 4.37Å; R33-E56 HydrophobicContact CG-CG 4.3Å; R33-E56 IonicContact NE-OE1 2.85Å; C34-E56 PolarHBondContact N-O 3.22Å; E56-R93 WeakPolarHBondContact CA-O 3.09Å; E56-R93 HydrophobicContact CB-CB 4.28Å; E56-R93 HydrophobicContact CG-CB 4.03Å; E56-R93 IonicContact OE2-NH1 3.26Å
57V98.1Very high93.8Very high14 Ų1445.6 Ų45.69%0.08526%0.261CS..EExtended strand (participates in β ladder)trans-126.1128.3-179.9-179.20000109C34 C51 A54 I59 V91 R93 L94 T95C34-V57 HydrophobicContact CB-CG2 4.46Å; C34-V57 CarbonylContact O-C 3.56Å; C34-V57 WeakPolarHBondContact O-CA 3.46Å; C51-V57 HydrophobicContact CB-CG1 4.36Å; C51-V57 HydrophobicContact CB-CG2 4.2Å; A54-V57 HydrophobicContact CB-CG2 3.99Å; V57-I59 HydrophobicContact CG1-CD1 4.3Å; V57-I59 HydrophobicContact CG1-CG1 3.99Å; V57-V91 HydrophobicContact CB-CG2 4.32Å; V57-V91 HydrophobicContact CG2-CG2 3.99Å; V57-R93 PolarHBondContact N-O 3.35Å; V57-L94 HydrophobicContact CB-CD1 4.09Å; V57-L94 HydrophobicContact CG1-CD1 4.16Å; V57-L94 CarbonylContact O-C 3.59Å; V57-L94 WeakPolarHBondContact O-CA 3.14Å; V57-T95 PolarHBondContact O-N 3.12Å
58E97.9Very high93.9Very high27 Ų2746.3 Ų46.313%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-116.8127.7173.8-178.4173.3175.800109.5R33 C34 V35 C36 R60 T95R33-E58 IonicContact CZ-OE2 3.67Å; R33-E58 IonicContact NH2-OE2 3.89Å; R33-E58 PolarHBondContact NH2-OE2 3.34Å; C34-E58 PolarHBondContact O-N 3.08Å; V35-E58 HydrophobicContact CG1-CB 4.41Å; V35-E58 HydrophobicContact CG1-CG 4.5Å; V35-E58 HydrophobicContact CG2-CB 4.31Å; C36-E58 PolarHBondContact N-O 3.44Å; E58-R60 HydrophobicContact CG-CG 4.44Å; E58-R60 IonicContact OE1-CZ 3.9Å; E58-R60 VanDerWaalsContact OE1-CZ 3.27Å; E58-R60 IonicContact OE1-NE 3.76Å; E58-R60 PolarHBondContact OE1-NE 2.8Å; E58-R60 IonicContact OE1-NH2 3.88Å; E58-R60 PolarHBondContact OE1-NH2 3.14Å; E58-T95 CarbonylContact C-O 3.6Å; E58-T95 WeakPolarHBondContact CA-O 3.46Å; E58-T95 HydrophobicContact CG-CG2 4.11Å
59I96.9Very high93.7Very high39 Ų3946.7 Ų46.720%0.227%0.266CS..EExtended strand (participates in β ladder)trans-123116.9179.6-56.7177.8000108.4C36 F38 V57 V61 L94 T95 V96 G97C36-I59 HydrophobicContact CB-CG1 4.46Å; F38-I59 HydrophobicContact CD2-CG2 3.76Å; F38-I59 HydrophobicContact CE2-CG2 3.93Å; V57-I59 HydrophobicContact CG1-CD1 4.3Å; V57-I59 HydrophobicContact CG1-CG1 3.99Å; I59-V61 HydrophobicContact CG2-CG2 4.06Å; I59-L94 HydrophobicContact CD1-CD1 4.33Å; I59-T95 PolarHBondContact N-O 3.18Å; I59-V96 CarbonylContact O-C 3.47Å; I59-V96 WeakPolarHBondContact O-CA 3.33Å; I59-G97 PolarHBondContact O-N 3.1Å
60R95.9Very high93.5Very high55 Ų5542.2 Ų42.221%0.20825%0.249CC..EExtended strand (participates in β ladder)trans-111.4132.3173.7-61.1-66.2-176.7172.5-4.7109.4C36 F38 E58 G97 E124C36-R60 PolarHBondContact O-N 2.88Å; F38-R60 PolarHBondContact N-O 3.27Å; E58-R60 HydrophobicContact CG-CG 4.44Å; E58-R60 IonicContact OE1-CZ 3.9Å; E58-R60 VanDerWaalsContact OE1-CZ 3.27Å; E58-R60 IonicContact OE1-NE 3.76Å; E58-R60 PolarHBondContact OE1-NE 2.8Å; E58-R60 IonicContact OE1-NH2 3.88Å; E58-R60 PolarHBondContact OE1-NH2 3.14Å; R60-G97 WeakPolarHBondContact CA-O 3.48Å; R60-E124 IonicContact CZ-OE2 3.89Å; R60-E124 VanDerWaalsContact CZ-OE2 3.26Å; R60-E124 IonicContact NH1-OE2 2.82Å; R60-E124 PolarHBondContact NH1-OE2 3.27Å; R60-E124 IonicContact NH2-OE2 3.73Å; R60-E124 PolarHBondContact NH2-OE2 2.88Å
61V93.3Very high93.2Very high4 Ų445.3 Ų45.32%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-115.28.9-172.2-176.20000112.3W45 I59 G63 L64 L66 G97 A98 A99W45-V61 HydrophobicContact CH2-CG1 3.86Å; W45-V61 HydrophobicContact CH2-CG2 4.11Å; W45-V61 HydrophobicContact CZ3-CG2 4.37Å; I59-V61 HydrophobicContact CG2-CG2 4.06Å; V61-G63 PolarHBondContact O-N 3.44Å; V61-G63 VanDerWaalsContact O-N 3.17Å; V61-L64 HydrophobicContact CG1-CB 3.99Å; V61-L64 HydrophobicContact CG1-CD1 4.38Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 WeakPolarHBondContact O-CD1 3.38Å; V61-L64 VanDerWaalsContact O-CG 3.26Å; V61-L64 WeakPolarHBondContact O-CG 3.47Å; V61-L64 PolarHBondContact O-N 3.15Å; V61-L66 HydrophobicContact CG1-CD2 4Å; V61-G97 PolarHBondContact N-O 2.92Å; V61-G97 VanDerWaalsContact N-O 3.09Å; V61-A98 CarbonylContact C-O 3.15Å; V61-A98 WeakPolarHBondContact CA-O 3.5Å; V61-A98 WeakPolarHBondContact CB-O 3.35Å; V61-A98 PolarHBondContact N-O 3.26Å; V61-A99 HydrophobicContact CB-CB 3.79Å; V61-A99 HydrophobicContact CG1-CB 4.13Å; V61-A99 HydrophobicContact CG2-CB 4.21Å
62G90.9Very high92.5Very high44 Ų4452.6 Ų52.645%0.45430%0.298SS..EExtended strand (participates in β ladder)trans65.918.6172.200000116.1S39 L64 A98S39-G62 WeakPolarHBondContact OG-CA 3.26Å; S39-G62 PolarHBondContact OG-N 3.21Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-A98 PolarHBondContact N-O 3Å; G62-A98 VanDerWaalsContact N-O 3.12Å
63G90.1Very high92Very high51 Ų5152 Ų5253%0.52629%0.294SS..EExtended strand (participates in β ladder)trans80.99.3-177.200000114.1V61 A98V61-G63 PolarHBondContact O-N 3.44Å; V61-G63 VanDerWaalsContact O-N 3.17Å; G63-A98 WeakPolarHBondContact CA-O 3.49Å; G63-A98 PolarHBondContact N-O 3.17Å
64L92.8Very high91.3Very high51 Ų5155.1 Ų55.127%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-64.8148.3179.5-61.4167.2000111.6F38 E40 P43 V61 G62 Q100F38-L64 WeakPolarHBondContact O-CD1 3.37Å; E40-L64 WeakPolarHBondContact O-CD1 3.42Å; P43-L64 HydrophobicContact CG-CD1 4.24Å; V61-L64 HydrophobicContact CG1-CB 3.99Å; V61-L64 HydrophobicContact CG1-CD1 4.38Å; V61-L64 WeakPolarHBondContact O-CB 3.46Å; V61-L64 WeakPolarHBondContact O-CD1 3.38Å; V61-L64 VanDerWaalsContact O-CG 3.26Å; V61-L64 WeakPolarHBondContact O-CG 3.47Å; V61-L64 PolarHBondContact O-N 3.15Å; G62-L64 VanDerWaalsContact C-N 3.33Å; L64-Q100 PolarHBondContact O-N 3.17Å
65S94.6Very high90.1Very high42 Ų4256.6 Ų56.629%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-81.1125.1171.3-172.10000111E67 P68 Q100S65-E67 VanDerWaalsContact C-N 3.33Å; S65-P68 WeakPolarHBondContact O-CD 3.27Å; S65-Q100 VanDerWaalsContact CB-OE1 3.25Å; S65-Q100 PolarHBondContact OG-OE1 3.15Å
66L93.6Very high88.8Confident27 Ų2760.7 Ų60.714%0.14134%0.339CS..  trans-89.95.5176.9-60.2-173.8000113.1W45 V61 P68 F69 Q100 V101 L105W45-L66 HydrophobicContact CH2-CD2 4.09Å; W45-L66 HydrophobicContact CZ2-CD2 4.13Å; V61-L66 HydrophobicContact CG1-CD2 4Å; L66-P68 VanDerWaalsContact C-N 3.31Å; L66-F69 HydrophobicContact CB-CD2 4.14Å; L66-F69 HydrophobicContact CD2-CD2 3.87Å; L66-F69 HydrophobicContact CD2-CE2 3.72Å; L66-F69 WeakPolarHBondContact O-CB 3.16Å; L66-F69 PolarHBondContact O-N 2.82Å; L66-Q100 PolarHBondContact N-O 2.99Å; L66-V101 HydrophobicContact CD1-CG1 4.49Å; L66-V101 HydrophobicContact CD1-CG2 4.09Å; L66-L105 HydrophobicContact CB-CD1 4.12Å; L66-L105 VanDerWaalsContact O-CD1 3.29Å; L66-L105 WeakPolarHBondContact O-CD1 3.5Å
67E92.1Very high87.9Confident95 Ų9560.8 Ų60.844%0.44435%0.346SS..G310 helixtrans-50.8-40.2173.8-74.9-177.417600114.5S65 F69 L70 P102S65-E67 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 2.88Å; E67-L70 WeakPolarHBondContact O-CB 3.37Å; E67-L70 PolarHBondContact O-N 3.19Å; E67-P102 HydrophobicContact CB-CG 4.35Å; E67-P102 HydrophobicContact CG-CG 3.71Å
68P90.9Very high87Confident72 Ų7263.3 Ų63.347%0.46836%0.359SS..G310 helixtrans-64-7.5177.5-22.735000114.8S65 L66 T71 R72S65-P68 WeakPolarHBondContact O-CD 3.27Å; L66-P68 VanDerWaalsContact C-N 3.31Å; P68-T71 PolarHBondContact O-OG1 2.94Å; P68-T71 VanDerWaalsContact O-OG1 3.13Å; P68-R72 PolarHBondContact O-NE 2.58Å; P68-R72 VanDerWaalsContact O-NE 3.17Å
69F88.3Confident86.2Confident44 Ų4462.5 Ų62.519%0.19336%0.356CS..G310 helixtrans-81.9-19.5172.4-73.6-86.4000113W45 L66 E67 T71 R72 V73 L105W45-F69 AromaticContact CE2-CZ 3.63Å; W45-F69 HydrophobicContact CZ2-CE2 4.03Å; W45-F69 AromaticContact CZ2-CZ 3.89Å; W45-F69 HydrophobicContact CZ2-CZ 3.89Å; W45-F69 AromaticContact NE1-CZ 3.38Å; L66-F69 HydrophobicContact CB-CD2 4.14Å; L66-F69 HydrophobicContact CD2-CD2 3.87Å; L66-F69 HydrophobicContact CD2-CE2 3.72Å; L66-F69 WeakPolarHBondContact O-CB 3.16Å; L66-F69 PolarHBondContact O-N 2.82Å; E67-F69 PolarHBondContact O-N 2.88Å; F69-T71 PolarHBondContact O-N 2.76Å; F69-R72 PolarHBondContact O-N 2.04Å; F69-V73 PolarHBondContact O-N 2.84Å; F69-L105 HydrophobicContact CB-CD1 3.67Å; F69-L105 HydrophobicContact CB-CD2 4.48Å
70L87Confident85.6Confident67 Ų6767.2 Ų67.235%0.35137%0.371SS..THydrogen-bonded Turntrans-62.9-25.2177.5-68.4172.7000113.1E67 P102 Q104 L105E67-L70 WeakPolarHBondContact O-CB 3.37Å; E67-L70 PolarHBondContact O-N 3.19Å; L70-P102 HydrophobicContact CD1-CB 3.91Å; L70-P102 HydrophobicContact CD1-CG 3.91Å; L70-P102 HydrophobicContact CD2-CB 4.15Å; L70-P102 HydrophobicContact CG-CB 4.24Å; L70-P102 HydrophobicContact CG-CG 4.16Å; L70-Q104 HydrophobicContact CD2-CB 4.03Å; L70-L105 HydrophobicContact CD2-CD1 4.37Å; L70-L105 HydrophobicContact CD2-CD2 3.88Å; L70-L105 HydrophobicContact CD2-CG 3.75Å; L70-L105 HydrophobicContact CG-CD1 4.47Å; L70-L105 HydrophobicContact CG-CG 4.36Å
71T85.8Confident85Confident127 Ų12770.8 Ų70.878%0.77939%0.391SS*.THydrogen-bonded Turntrans-82.6-15.7175.758.20000113.1P68 F69P68-T71 PolarHBondContact O-OG1 2.94Å; P68-T71 VanDerWaalsContact O-OG1 3.13Å; F69-T71 PolarHBondContact O-N 2.76Å
72R80.1Confident84.6Confident164 Ų16476.7 Ų76.762%0.61941%0.413SS*.THydrogen-bonded Turntrans-108.4-28.2-173.7-69.6-176.3-85.2178.4-2.3113P68 F69P68-R72 PolarHBondContact O-NE 2.58Å; P68-R72 VanDerWaalsContact O-NE 3.17Å; F69-R72 PolarHBondContact O-N 2.04Å
73V79.2Confident84.4Confident71 Ų7175.3 Ų75.343%0.4340%0.398SS..  trans-116.4125.3-177.9-178.40000108F69 P75 L105F69-V73 PolarHBondContact O-N 2.84Å; V73-P75 WeakPolarHBondContact O-CD 3.49Å; V73-L105 HydrophobicContact CB-CD2 4.37Å
74D79.2Confident84.5Confident100 Ų10079.3 Ų79.354%0.53541%0.407SS..  trans-81.6106.7166.4177.72.6000108.6D76 A77D74-D76 PolarHBondContact O-N 3.42Å; D74-D76 WeakPolarHBondContact OD1-CB 3.29Å; D74-D76 PolarHBondContact OD1-N 3.26Å; D74-A77 HydrophobicContact CB-CB 4.02Å; D74-A77 VanDerWaalsContact O-CB 3.31Å; D74-A77 WeakPolarHBondContact O-CB 3.4Å; D74-A77 PolarHBondContact O-N 3.09Å; D74-A77 PolarHBondContact OD1-N 3.24Å
75P69.9Low84.4Confident30 Ų3081.4 Ų81.420%0.19542%0.422CS..THydrogen-bonded Turntrans-69.2-14.7-179.230.6-35.2000113V73 Q104V73-P75 WeakPolarHBondContact O-CD 3.49Å; P75-Q104 HydrophobicContact CB-CB 4.15Å; P75-Q104 WeakPolarHBondContact CB-O 3.09Å; P75-Q104 HydrophobicContact CG-CB 4.05Å
76D71.3Confident84.3Confident112 Ų11280.1 Ų80.160%0.59941%0.413SS*.THydrogen-bonded Turntrans-94.6-10.5179-68.4-43.8000113.1D74 R111D74-D76 PolarHBondContact O-N 3.42Å; D74-D76 WeakPolarHBondContact OD1-CB 3.29Å; D74-D76 PolarHBondContact OD1-N 3.26Å; D76-R111 IonicContact OD1-NH1 3.27Å
77A78Confident84.3Confident40 Ų4084.3 Ų84.333%0.33143%0.43SS..SBendtrans-52.1143176.800000111.9D74 P79D74-A77 HydrophobicContact CB-CB 4.02Å; D74-A77 VanDerWaalsContact O-CB 3.31Å; D74-A77 WeakPolarHBondContact O-CB 3.4Å; D74-A77 PolarHBondContact O-N 3.09Å; D74-A77 PolarHBondContact OD1-N 3.24Å; A77-P79 WeakPolarHBondContact O-CD 3.24Å
78D79.9Confident84.4Confident68 Ų6883.4 Ų83.436%0.36444%0.438SS..  trans-66.9113.7-178.2-172-8000110.9R80D78-R80 VanDerWaalsContact CG-NE 3.33Å; D78-R80 PolarHBondContact O-N 2.87Å; D78-R80 VanDerWaalsContact OD1-CB 3.27Å; D78-R80 WeakPolarHBondContact OD1-CB 3.27Å; D78-R80 VanDerWaalsContact OD1-CG 3.24Å; D78-R80 WeakPolarHBondContact OD1-CG 3.48Å; D78-R80 IonicContact OD1-CZ 2.79Å; D78-R80 PolarHBondContact OD1-N 3.49Å; D78-R80 IonicContact OD1-NE 3.24Å; D78-R80 PolarHBondContact OD1-NE 3.09Å; D78-R80 VanDerWaalsContact OD1-NE 3.13Å; D78-R80 IonicContact OD1-NH2 3.84Å; D78-R80 IonicContact OD2-CZ 3.44Å; D78-R80 IonicContact OD2-NE 3.13Å; D78-R80 PolarHBondContact OD2-NE 2.91Å; D78-R80 IonicContact OD2-NH2 3.82Å; D78-R80 PolarHBondContact OD2-NH2 3.17Å
79P80.8Confident84.5Confident10 Ų1082.2 Ų82.27%0.06543%0.428CS..G310 helixtrans-71.6-8.7-178.331.1-37.2000113.1A77 Q81 Y82 A83 V112 Y115A77-P79 WeakPolarHBondContact O-CD 3.24Å; P79-Q81 PolarHBondContact O-N 3.13Å; P79-Q81 VanDerWaalsContact O-N 3.15Å; P79-Y82 PolarHBondContact O-N 3.13Å; P79-A83 PolarHBondContact O-N 2.79Å; P79-V112 HydrophobicContact CB-CG2 3.94Å; P79-Y115 HydrophobicContact CB-CE2 3.99Å; P79-Y115 HydrophobicContact CG-CE2 3.68Å
80R83.9Confident84.8Confident137 Ų13786.6 Ų86.652%0.51744%0.443SS..G310 helixtrans-56.5-31.2-177.2-77-177.5-79.1-127.6-0.6113.4D78 Y82 A83 Y115D78-R80 VanDerWaalsContact CG-NE 3.33Å; D78-R80 PolarHBondContact O-N 2.87Å; D78-R80 VanDerWaalsContact OD1-CB 3.27Å; D78-R80 WeakPolarHBondContact OD1-CB 3.27Å; D78-R80 VanDerWaalsContact OD1-CG 3.24Å; D78-R80 WeakPolarHBondContact OD1-CG 3.48Å; D78-R80 IonicContact OD1-CZ 2.79Å; D78-R80 PolarHBondContact OD1-N 3.49Å; D78-R80 IonicContact OD1-NE 3.24Å; D78-R80 PolarHBondContact OD1-NE 3.09Å; D78-R80 VanDerWaalsContact OD1-NE 3.13Å; D78-R80 IonicContact OD1-NH2 3.84Å; D78-R80 IonicContact OD2-CZ 3.44Å; D78-R80 IonicContact OD2-NE 3.13Å; D78-R80 PolarHBondContact OD2-NE 2.91Å; D78-R80 IonicContact OD2-NH2 3.82Å; D78-R80 PolarHBondContact OD2-NH2 3.17Å; R80-Y82 PolarHBondContact O-N 2.75Å; R80-A83 VanDerWaalsContact O-CB 3.29Å; R80-A83 WeakPolarHBondContact O-CB 3.23Å; R80-A83 PolarHBondContact O-N 2.96Å; R80-A83 VanDerWaalsContact O-N 3.15Å; R80-Y115 WeakPolarHBondContact CG-OH 3.46Å
81Q84.5Confident85.3Confident130 Ų13084 Ų8461%0.60743%0.43SS*.G310 helixtrans-61.7-25.1177.267.9-176.6-21.700113.7P79P79-Q81 PolarHBondContact O-N 3.13Å; P79-Q81 VanDerWaalsContact O-N 3.15Å
82Y83.8Confident85.8Confident129 Ų12980.8 Ų80.851%0.50640%0.404SS..G310 helixtrans-104.31.2179.2-56.1-62.1000113P79 R80 D84 T85 V86P79-Y82 PolarHBondContact O-N 3.13Å; R80-Y82 PolarHBondContact O-N 2.75Å; Y82-D84 PolarHBondContact O-N 2.87Å; Y82-T85 PolarHBondContact O-N 3.19Å; Y82-V86 WeakPolarHBondContact O-CB 3.24Å; Y82-V86 VanDerWaalsContact O-CG2 3.26Å; Y82-V86 WeakPolarHBondContact O-CG2 3.24Å; Y82-V86 PolarHBondContact O-N 3.33Å
83A87.8Confident86.7Confident15 Ų1577.8 Ų77.812%0.12439%0.392CS..Hα-helixtrans-59.2-45-170.600000112.8P79 R80 V86 K87 Y115P79-A83 PolarHBondContact O-N 2.79Å; R80-A83 VanDerWaalsContact O-CB 3.29Å; R80-A83 WeakPolarHBondContact O-CB 3.23Å; R80-A83 PolarHBondContact O-N 2.96Å; R80-A83 VanDerWaalsContact O-N 3.15Å; A83-V86 PolarHBondContact O-N 2.62Å; A83-K87 WeakPolarHBondContact O-CB 3.37Å; A83-K87 PolarHBondContact O-N 2.85Å; A83-Y115 HydrophobicContact CB-CD1 3.51Å; A83-Y115 HydrophobicContact CB-CE1 3.92Å; A83-Y115 HydrophobicContact CB-CG 3.86Å
84D91.2Very high87.6Confident134 Ų13475.4 Ų75.472%0.71738%0.377SS*.Hα-helixtrans-66.8-41.3-179.4-72.4-31.6000112Y82 K87 A88Y82-D84 PolarHBondContact O-N 2.87Å; D84-K87 PolarHBondContact O-N 3.15Å; D84-A88 WeakPolarHBondContact O-CB 3.5Å; D84-A88 PolarHBondContact O-N 2.99Å; D84-A88 VanDerWaalsContact O-N 3.08Å
85T91.3Very high88.6Confident95 Ų9571.7 Ų71.758%0.58336%0.358SS*.Hα-helixtrans-61.2-49.1175.2-50.60000110.9Y82 K87 A88 L89Y82-T85 PolarHBondContact O-N 3.19Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 2.81Å; T85-A88 WeakPolarHBondContact O-CB 3.45Å; T85-A88 PolarHBondContact O-N 2.81Å; T85-L89 PolarHBondContact O-N 2.84Å
86V92Very high89.9Confident16 Ų1671.9 Ų71.910%0.09736%0.358CS..Hα-helixtrans-68.6-34.5-178174.60000111.6Y82 A83 A88 L89 V112Y82-V86 WeakPolarHBondContact O-CB 3.24Å; Y82-V86 VanDerWaalsContact O-CG2 3.26Å; Y82-V86 WeakPolarHBondContact O-CG2 3.24Å; Y82-V86 PolarHBondContact O-N 3.33Å; A83-V86 PolarHBondContact O-N 2.62Å; V86-A88 VanDerWaalsContact C-N 3.28Å; V86-A88 PolarHBondContact O-N 3.44Å; V86-L89 HydrophobicContact CG1-CD1 4.39Å; V86-L89 WeakPolarHBondContact O-CB 3.39Å; V86-L89 WeakPolarHBondContact O-CG 3.25Å; V86-L89 PolarHBondContact O-N 3.09Å; V86-V112 HydrophobicContact CG1-CG1 4.33Å; V86-V112 WeakPolarHBondContact CG1-O 3.32Å; V86-V112 HydrophobicContact CG2-CG1 3.68Å
87K93.1Very high91.1Very high115 Ų11566.5 Ų66.550%0.533%0.33SS..Hα-helixtrans-69.3-26.4175.8-175.1178.1179.6-175.70112.9A83 D84 T85 L89A83-K87 WeakPolarHBondContact O-CB 3.37Å; A83-K87 PolarHBondContact O-N 2.85Å; D84-K87 PolarHBondContact O-N 3.15Å; T85-K87 VanDerWaalsContact C-N 3.34Å; T85-K87 PolarHBondContact O-N 2.81Å; K87-L89 VanDerWaalsContact C-N 3.31Å
88A93.8Very high92Very high76 Ų7665.8 Ų65.863%0.62832%0.324SS*.Hα-helixtrans-74.9-20.4175.200000112.8D84 T85 V86D84-A88 WeakPolarHBondContact O-CB 3.5Å; D84-A88 PolarHBondContact O-N 2.99Å; D84-A88 VanDerWaalsContact O-N 3.08Å; T85-A88 WeakPolarHBondContact O-CB 3.45Å; T85-A88 PolarHBondContact O-N 2.81Å; V86-A88 VanDerWaalsContact C-N 3.28Å; V86-A88 PolarHBondContact O-N 3.44Å
89L94.3Very high92.8Very high46 Ų4662.8 Ų62.824%0.24131%0.308CS..  trans-59.6138.7179.5-59.9177.1000112.3V52 T85 V86 K87 V91 R92V52-L89 HydrophobicContact CB-CD2 4.5Å; V52-L89 HydrophobicContact CG2-CD2 3.5Å; V52-L89 VanDerWaalsContact CG2-CD2 3.5Å; T85-L89 PolarHBondContact O-N 2.84Å; V86-L89 HydrophobicContact CG1-CD1 4.39Å; V86-L89 WeakPolarHBondContact O-CB 3.39Å; V86-L89 WeakPolarHBondContact O-CG 3.25Å; V86-L89 PolarHBondContact O-N 3.09Å; K87-L89 VanDerWaalsContact C-N 3.31Å; L89-V91 VanDerWaalsContact C-N 3.31Å; L89-V91 HydrophobicContact CB-CG1 4.02Å; L89-R92 PolarHBondContact O-NH1 2.99Å
90R94.7Very high93.6Very high137 Ų13764.6 Ų64.652%0.51732%0.316SS..  trans-82.3-10.2177.7-69.5-173.466.3-166.31.9113.5S53 A54 V55 R92S53-R90 WeakPolarHBondContact O-CD 3.42Å; A54-R90 CarbonylContact O-C 3.6Å; A54-R90 VanDerWaalsContact O-C 3.29Å; V55-R90 HydrophobicContact CG2-CB 4.5Å; R90-R92 PolarHBondContact O-N 3.42Å; R90-R92 PolarHBondContact O-NH1 2.77Å
91V96.4Very high94.2Very high13 Ų1358.6 Ų58.68%0.07929%0.294CS..  trans-53.2128.8-179.269.90000111.7A54 V55 V57 L89 R93 L94 L118A54-V91 WeakPolarHBondContact O-CA 3.31Å; A54-V91 PolarHBondContact O-N 2.87Å; A54-V91 VanDerWaalsContact O-N 3.14Å; V55-V91 WeakPolarHBondContact O-CA 3.39Å; V57-V91 HydrophobicContact CB-CG2 4.32Å; V57-V91 HydrophobicContact CG2-CG2 3.99Å; L89-V91 VanDerWaalsContact C-N 3.31Å; L89-V91 HydrophobicContact CB-CG1 4.02Å; V91-R93 WeakPolarHBondContact CG2-O 3.33Å; V91-L94 HydrophobicContact CG2-CB 4.47Å; V91-L118 HydrophobicContact CG2-CD1 4Å
92R97.8Very high94.7Very high59 Ų5952.5 Ų52.522%0.22327%0.266CS..  trans-123.2-26.4173.4-60.8-58.9176.8-92.8-5.7111.4V55 L89 R90 R117 L118 Q119 E120V55-R92 HydrophobicContact CG1-CB 3.99Å; V55-R92 HydrophobicContact CG1-CG 3.96Å; V55-R92 PolarHBondContact O-N 3.21Å; L89-R92 PolarHBondContact O-NH1 2.99Å; R90-R92 PolarHBondContact O-N 3.42Å; R90-R92 PolarHBondContact O-NH1 2.77Å; R92-R117 WeakPolarHBondContact CD-O 3.4Å; R92-L118 WeakPolarHBondContact O-CD1 3.2Å; R92-Q119 PolarHBondContact O-N 3.46Å; R92-E120 PolarHBondContact O-N 2.85Å
93R98.4Very high95.2Very high101 Ų10146.3 Ų46.338%0.38124%0.242SC..EExtended strand (participates in β ladder)trans-126124.3179-58.4-177.4173.2162.9-1.4109.3V55 E56 V57 V91 E120V55-R93 PolarHBondContact O-N 2.87Å; V55-R93 VanDerWaalsContact O-N 3.1Å; E56-R93 WeakPolarHBondContact CA-O 3.09Å; E56-R93 HydrophobicContact CB-CB 4.28Å; E56-R93 HydrophobicContact CG-CB 4.03Å; E56-R93 IonicContact OE2-NH1 3.26Å; V57-R93 PolarHBondContact N-O 3.35Å; V91-R93 WeakPolarHBondContact CG2-O 3.33Å; R93-E120 WeakPolarHBondContact CA-O 3.37Å; R93-E120 HydrophobicContact CB-CB 4.47Å; R93-E120 HydrophobicContact CG-CB 4.06Å; R93-E120 HydrophobicContact CG-CG 4.17Å; R93-E120 IonicContact CZ-OE1 2.74Å; R93-E120 IonicContact NE-OE1 3.69Å; R93-E120 PolarHBondContact NE-OE1 3.38Å; R93-E120 IonicContact NE-OE2 2.75Å; R93-E120 IonicContact NH2-OE1 2.82Å; R93-E120 PolarHBondContact NH2-OE1 3.42Å
94L98.5Very high95.4Very high20 Ų2048.8 Ų48.811%0.10525%0.251CS..EExtended strand (participates in β ladder)trans-126.2126178.5177.862.9000109.1V57 I59 V91 V96 L113 L118 E120 L121 T122V57-L94 HydrophobicContact CB-CD1 4.09Å; V57-L94 HydrophobicContact CG1-CD1 4.16Å; V57-L94 CarbonylContact O-C 3.59Å; V57-L94 WeakPolarHBondContact O-CA 3.14Å; I59-L94 HydrophobicContact CD1-CD1 4.33Å; V91-L94 HydrophobicContact CG2-CB 4.47Å; L94-V96 HydrophobicContact CD1-CG2 4.1Å; L94-V96 HydrophobicContact CD2-CG2 4.18Å; L94-V96 HydrophobicContact CG-CG2 3.94Å; L94-L113 HydrophobicContact CD2-CD1 3.77Å; L94-L113 HydrophobicContact CD2-CD2 4.33Å; L94-L118 HydrophobicContact CB-CD1 3.58Å; L94-L118 HydrophobicContact CB-CD2 4.2Å; L94-L118 HydrophobicContact CD2-CD2 4.41Å; L94-E120 PolarHBondContact N-O 3.39Å; L94-L121 HydrophobicContact CB-CD1 4.23Å; L94-L121 HydrophobicContact CD2-CD1 4.08Å; L94-L121 HydrophobicContact CG-CD1 4.17Å; L94-L121 CarbonylContact O-C 3.51Å; L94-L121 WeakPolarHBondContact O-CA 2.81Å; L94-T122 PolarHBondContact O-N 2.98Å
95T98.5Very high95.5Very high22 Ų2243.7 Ų43.714%0.13522%0.223CC..EExtended strand (participates in β ladder)trans-113.8127170.1-60.70000108.5V57 E58 I59 T122V57-T95 PolarHBondContact O-N 3.12Å; E58-T95 CarbonylContact C-O 3.6Å; E58-T95 WeakPolarHBondContact CA-O 3.46Å; E58-T95 HydrophobicContact CG-CG2 4.11Å; I59-T95 PolarHBondContact N-O 3.18Å; T95-T122 CarbonylContact C-O 3.54Å; T95-T122 WeakPolarHBondContact CA-O 3.41Å; T95-T122 HydrophobicContact CG2-CG2 4.07Å
96V98Very high95.7Very high34 Ų3439.9 Ų39.921%0.20620%0.2CC..EExtended strand (participates in β ladder)trans-125130.4174.1-176.50000108.1I59 L94 T122 L123 E124I59-V96 CarbonylContact O-C 3.47Å; I59-V96 WeakPolarHBondContact O-CA 3.33Å; L94-V96 HydrophobicContact CD1-CG2 4.1Å; L94-V96 HydrophobicContact CD2-CG2 4.18Å; L94-V96 HydrophobicContact CG-CG2 3.94Å; V96-T122 PolarHBondContact N-O 2.9Å; V96-L123 HydrophobicContact CB-CD2 4.22Å; V96-L123 WeakPolarHBondContact O-CA 3.37Å; V96-E124 PolarHBondContact O-N 3.44Å
97G97.3Very high95.7Very high0 Ų039.3 Ų39.30%020%0.196CC..EExtended strand (participates in β ladder)trans-158.7175-179.800000117.3I59 R60 V61 E124I59-G97 PolarHBondContact O-N 3.1Å; R60-G97 WeakPolarHBondContact CA-O 3.48Å; V61-G97 PolarHBondContact N-O 2.92Å; V61-G97 VanDerWaalsContact N-O 3.09Å; G97-E124 CarbonylContact C-O 3.29Å; G97-E124 WeakPolarHBondContact CA-O 3.35Å
98A96.6Very high95.5Very high25 Ų2534.6 Ų34.621%0.20718%0.18CC..EExtended strand (participates in β ladder)trans52.764.4-177.100000111.5V61 G62 G63 E124 D125V61-A98 CarbonylContact C-O 3.15Å; V61-A98 WeakPolarHBondContact CA-O 3.5Å; V61-A98 WeakPolarHBondContact CB-O 3.35Å; V61-A98 PolarHBondContact N-O 3.26Å; G62-A98 PolarHBondContact N-O 3Å; G62-A98 VanDerWaalsContact N-O 3.12Å; G63-A98 WeakPolarHBondContact CA-O 3.49Å; G63-A98 PolarHBondContact N-O 3.17Å; A98-E124 PolarHBondContact N-O 3.13Å; A98-D125 WeakPolarHBondContact CA-O 3.44Å; A98-D125 PolarHBondContact N-O 2.85Å; A98-D125 VanDerWaalsContact N-O 3.17Å
99A96.4Very high95.5Very high5 Ų533.3 Ų33.34%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-154.6150.7-179.800000112.2V61 V101 D125 L126 E127V61-A99 HydrophobicContact CB-CB 3.79Å; V61-A99 HydrophobicContact CG1-CB 4.13Å; V61-A99 HydrophobicContact CG2-CB 4.21Å; A99-V101 HydrophobicContact CB-CG2 3.73Å; A99-D125 PolarHBondContact N-O 3.17Å; A99-L126 HydrophobicContact CB-CD2 3.71Å; A99-L126 WeakPolarHBondContact O-CA 3.44Å; A99-E127 PolarHBondContact O-N 3.37Å
100Q97.1Very high95.4Very high47 Ų4731.4 Ų31.422%0.2216%0.159CC..EExtended strand (participates in β ladder)trans-96.9115.8162.6-176.6-172.844.400108.4L64 S65 L66 E127 T129L64-Q100 PolarHBondContact O-N 3.17Å; S65-Q100 VanDerWaalsContact CB-OE1 3.25Å; S65-Q100 PolarHBondContact OG-OE1 3.15Å; L66-Q100 PolarHBondContact N-O 2.99Å; Q100-E127 CarbonylContact C-O 3.58Å; Q100-E127 WeakPolarHBondContact CA-O 3.25Å; Q100-E127 HydrophobicContact CB-CB 4.33Å; Q100-E127 HydrophobicContact CG-CB 4.12Å; Q100-E127 HydrophobicContact CG-CG 4.2Å; Q100-E127 PolarHBondContact NE2-OE1 3Å; Q100-T129 HydrophobicContact CG-CG2 3.58Å
101V96.7Very high95.2Very high11 Ų1126.7 Ų26.77%0.06714%0.141CC..EExtended strand (participates in β ladder)trans-120.9117.6-168.1-170.20000110.3L66 A99 A103 L105 L106 L126 E127 I128 T129L66-V101 HydrophobicContact CD1-CG1 4.49Å; L66-V101 HydrophobicContact CD1-CG2 4.09Å; A99-V101 HydrophobicContact CB-CG2 3.73Å; V101-A103 PolarHBondContact O-N 3.12Å; V101-L105 HydrophobicContact CG1-CB 4.37Å; V101-L106 HydrophobicContact CG1-CB 4.2Å; V101-L126 HydrophobicContact CG2-CD2 4.25Å; V101-E127 PolarHBondContact N-O 2.99Å; V101-I128 HydrophobicContact CB-CD1 3.89Å; V101-I128 HydrophobicContact CG2-CD1 4.46Å; V101-I128 VanDerWaalsContact O-CA 3.31Å; V101-I128 WeakPolarHBondContact O-CA 3.36Å; V101-T129 PolarHBondContact O-N 3.13Å
102P95.6Very high95Very high2 Ų228.4 Ų28.41%0.01315%0.152CC..EExtended strand (participates in β ladder)trans-57.3134.7168.2-23.732.1000111.9E67 L70 Q104 L105 L106 T129E67-P102 HydrophobicContact CB-CG 4.35Å; E67-P102 HydrophobicContact CG-CG 3.71Å; L70-P102 HydrophobicContact CD1-CB 3.91Å; L70-P102 HydrophobicContact CD1-CG 3.91Å; L70-P102 HydrophobicContact CD2-CB 4.15Å; L70-P102 HydrophobicContact CG-CB 4.24Å; L70-P102 HydrophobicContact CG-CG 4.16Å; P102-Q104 PolarHBondContact O-N 3.19Å; P102-Q104 VanDerWaalsContact O-N 3.09Å; P102-L105 HydrophobicContact CB-CD1 4.5Å; P102-L105 HydrophobicContact CB-CG 4.32Å; P102-L105 HydrophobicContact CG-CD1 4.08Å; P102-L105 HydrophobicContact CG-CG 4.43Å; P102-L105 PolarHBondContact O-N 3.19Å; P102-L106 PolarHBondContact O-N 2.79Å; P102-L106 VanDerWaalsContact O-N 3.13Å; P102-T129 WeakPolarHBondContact CA-OG1 3.26Å
103A94.4Very high94.8Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-54.5-33-179.300000112.8V101 L106 V107 I128 T129 M132V101-A103 PolarHBondContact O-N 3.12Å; A103-L106 PolarHBondContact O-N 3.1Å; A103-V107 WeakPolarHBondContact O-CB 3.39Å; A103-V107 WeakPolarHBondContact O-CG2 3.18Å; A103-V107 PolarHBondContact O-N 2.74Å; A103-I128 HydrophobicContact CB-CG2 4.03Å; A103-T129 WeakPolarHBondContact CB-O 3.37Å; A103-T129 PolarHBondContact N-O 3.48Å; A103-M132 HydrophobicContact CB-CG 3.96Å
104Q91.9Very high94.5Very high67 Ų6723.2 Ų23.231%0.31314%0.139SC..Hα-helixtrans-64.5-40.4176.5-60.483.2-7.900112.1L70 P75 P102 G108L70-Q104 HydrophobicContact CD2-CB 4.03Å; P75-Q104 HydrophobicContact CB-CB 4.15Å; P75-Q104 WeakPolarHBondContact CB-O 3.09Å; P75-Q104 HydrophobicContact CG-CB 4.05Å; P102-Q104 PolarHBondContact O-N 3.19Å; P102-Q104 VanDerWaalsContact O-N 3.09Å; Q104-G108 PolarHBondContact O-N 3.06Å
105L93.4Very high94.2Very high26 Ų2626 Ų2614%0.13615%0.149CC..Hα-helixtrans-71.3-40.5177.3-65.5-177000111.3L66 F69 L70 V73 V101 P102 V107 G108 A109L66-L105 HydrophobicContact CB-CD1 4.12Å; L66-L105 VanDerWaalsContact O-CD1 3.29Å; L66-L105 WeakPolarHBondContact O-CD1 3.5Å; F69-L105 HydrophobicContact CB-CD1 3.67Å; F69-L105 HydrophobicContact CB-CD2 4.48Å; L70-L105 HydrophobicContact CD2-CD1 4.37Å; L70-L105 HydrophobicContact CD2-CD2 3.88Å; L70-L105 HydrophobicContact CD2-CG 3.75Å; L70-L105 HydrophobicContact CG-CD1 4.47Å; L70-L105 HydrophobicContact CG-CG 4.36Å; V73-L105 HydrophobicContact CB-CD2 4.37Å; V101-L105 HydrophobicContact CG1-CB 4.37Å; P102-L105 HydrophobicContact CB-CD1 4.5Å; P102-L105 HydrophobicContact CB-CG 4.32Å; P102-L105 HydrophobicContact CG-CD1 4.08Å; P102-L105 HydrophobicContact CG-CG 4.43Å; P102-L105 PolarHBondContact O-N 3.19Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 2.82Å; L105-G108 PolarHBondContact O-N 3Å; L105-A109 WeakPolarHBondContact O-CB 3.28Å; L105-A109 PolarHBondContact O-N 3.02Å
106L94.5Very high94Very high16 Ų1625.9 Ų25.98%0.08415%0.148CC..Hα-helixtrans-58-48.5174.1176.862.5000110.6V101 P102 A103 A109 L110 L123 I128 W154V101-L106 HydrophobicContact CG1-CB 4.2Å; P102-L106 PolarHBondContact O-N 2.79Å; P102-L106 VanDerWaalsContact O-N 3.13Å; A103-L106 PolarHBondContact O-N 3.1Å; L106-A109 PolarHBondContact O-N 3.4Å; L106-L110 HydrophobicContact CD1-CG 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.24Å; L106-L123 HydrophobicContact CD1-CD1 4.49Å; L106-I128 HydrophobicContact CD2-CD1 3.99Å; L106-I128 HydrophobicContact CD2-CG1 4.31Å; L106-I128 HydrophobicContact CD2-CG2 4.3Å; L106-W154 HydrophobicContact CD2-CH2 4.04Å; L106-W154 HydrophobicContact CD2-CZ3 3.83Å
107V91.8Very high93.9Very high4 Ų431 Ų312%0.02416%0.164CC..Hα-helixtrans-62.3-43.8177.6163.10000111.9A103 L105 A109 L110 R111 M132 P133 W167A103-V107 WeakPolarHBondContact O-CB 3.39Å; A103-V107 WeakPolarHBondContact O-CG2 3.18Å; A103-V107 PolarHBondContact O-N 2.74Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 2.82Å; V107-A109 VanDerWaalsContact C-N 3.31Å; V107-A109 PolarHBondContact O-N 3.08Å; V107-L110 PolarHBondContact O-N 3.25Å; V107-R111 HydrophobicContact CG1-CG 4.5Å; V107-R111 WeakPolarHBondContact O-CG 3.5Å; V107-R111 PolarHBondContact O-N 2.82Å; V107-M132 HydrophobicContact CG2-CB 4.31Å; V107-M132 HydrophobicContact CG2-CG 3.99Å; V107-M132 HydrophobicContact CG2-SD 4.4Å; V107-P133 HydrophobicContact CB-CG 4.42Å; V107-P133 HydrophobicContact CG1-CG 4.11Å; V107-P133 HydrophobicContact CG2-CG 4.4Å; V107-W167 HydrophobicContact CB-CZ2 4.3Å; V107-W167 HydrophobicContact CG1-CD2 3.95Å; V107-W167 HydrophobicContact CG1-CE3 3.88Å; V107-W167 HydrophobicContact CG1-CH2 3.19Å; V107-W167 HydrophobicContact CG1-CZ2 3.26Å; V107-W167 HydrophobicContact CG1-CZ3 3.52Å; V107-W167 HydrophobicContact CG2-CD2 4.13Å; V107-W167 HydrophobicContact CG2-CG 4.43Å; V107-W167 HydrophobicContact CG2-CZ2 4.04Å
108G90.3Very high93.9Very high15 Ų1531.2 Ų31.216%0.15517%0.165CC..Hα-helixtrans-55.5-46.4174.100000111.9Q104 L105 R111 V112Q104-G108 PolarHBondContact O-N 3.06Å; L105-G108 PolarHBondContact O-N 3Å; G108-R111 WeakPolarHBondContact O-CB 3.42Å; G108-R111 PolarHBondContact O-N 2.86Å; G108-V112 WeakPolarHBondContact O-CG2 3.36Å; G108-V112 PolarHBondContact O-N 3.3Å; G108-V112 VanDerWaalsContact O-N 3.08Å
109A92.4Very high93.9Very high49 Ų4934.7 Ų34.741%0.40518%0.177SC..Hα-helixtrans-62.6-44.7176.100000112.3L105 L106 V107 R111 V112 L113L105-A109 WeakPolarHBondContact O-CB 3.28Å; L105-A109 PolarHBondContact O-N 3.02Å; L106-A109 PolarHBondContact O-N 3.4Å; V107-A109 VanDerWaalsContact C-N 3.31Å; V107-A109 PolarHBondContact O-N 3.08Å; A109-R111 VanDerWaalsContact C-N 3.29Å; A109-R111 PolarHBondContact O-N 3.37Å; A109-V112 PolarHBondContact O-N 2.94Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 VanDerWaalsContact O-CG 3.25Å; A109-L113 WeakPolarHBondContact O-CG 3.29Å; A109-L113 PolarHBondContact O-N 3.21Å
110L93.3Very high94Very high6 Ų636.6 Ų36.63%0.03119%0.185CC..Hα-helixtrans-60.1-38.7176.7-68174.9000112.1L106 V107 A114 L121 L142 L164 W167L106-L110 HydrophobicContact CD1-CG 4.43Å; L106-L110 HydrophobicContact CG-CD1 4.28Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.24Å; V107-L110 PolarHBondContact O-N 3.25Å; L110-A114 PolarHBondContact O-N 3.26Å; L110-L121 HydrophobicContact CD2-CD2 3.96Å; L110-L142 HydrophobicContact CD2-CD2 3.68Å; L110-L164 HydrophobicContact CD1-CD1 4.02Å; L110-W167 HydrophobicContact CD1-CB 3.9Å; L110-W167 HydrophobicContact CD1-CG 4.41Å
111R90.7Very high94.1Very high39 Ų3934.7 Ų34.715%0.14718%0.177CC..Hα-helixtrans-64.2-43.8175.6-72.7174.869.4178.9-2.7112.3D76 V107 G108 A109 A114 Y115 W167D76-R111 IonicContact OD1-NH1 3.27Å; V107-R111 HydrophobicContact CG1-CG 4.5Å; V107-R111 WeakPolarHBondContact O-CG 3.5Å; V107-R111 PolarHBondContact O-N 2.82Å; G108-R111 WeakPolarHBondContact O-CB 3.42Å; G108-R111 PolarHBondContact O-N 2.86Å; A109-R111 VanDerWaalsContact C-N 3.29Å; A109-R111 PolarHBondContact O-N 3.37Å; R111-A114 WeakPolarHBondContact O-CB 3.44Å; R111-A114 PolarHBondContact O-N 2.91Å; R111-Y115 WeakPolarHBondContact O-CD2 3.25Å; R111-W167 HydrophobicContact CG-CE3 3.97Å; R111-W167 HydrophobicContact CG-CH2 4.35Å; R111-W167 HydrophobicContact CG-CZ3 3.4Å; R111-W167 VanDerWaalsContact CG-CZ3 3.4Å
112V90.9Very high94.2Very high48 Ų4835.7 Ų35.729%0.29118%0.183SC..Hα-helixtrans-65.4-47.9176.9174.50000110P79 V86 G108 A109 A114 Y115P79-V112 HydrophobicContact CB-CG2 3.94Å; V86-V112 HydrophobicContact CG1-CG1 4.33Å; V86-V112 WeakPolarHBondContact CG1-O 3.32Å; V86-V112 HydrophobicContact CG2-CG1 3.68Å; G108-V112 WeakPolarHBondContact O-CG2 3.36Å; G108-V112 PolarHBondContact O-N 3.3Å; G108-V112 VanDerWaalsContact O-N 3.08Å; A109-V112 PolarHBondContact O-N 2.94Å; V112-A114 PolarHBondContact O-N 2.92Å; V112-A114 VanDerWaalsContact O-N 3.15Å; V112-Y115 PolarHBondContact O-N 3.4Å; V112-Y115 VanDerWaalsContact O-N 3.13Å
113L93.6Very high94.4Very high29 Ų2935.9 Ų35.915%0.15218%0.184CC..Hα-helixtrans-63.3-21.2179.5-69.8170.9000112.9L94 A109 Y115 S116 L118 L142L94-L113 HydrophobicContact CD2-CD1 3.77Å; L94-L113 HydrophobicContact CD2-CD2 4.33Å; A109-L113 WeakPolarHBondContact O-CB 3.48Å; A109-L113 VanDerWaalsContact O-CG 3.25Å; A109-L113 WeakPolarHBondContact O-CG 3.29Å; A109-L113 PolarHBondContact O-N 3.21Å; L113-Y115 PolarHBondContact O-N 2.92Å; L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 VanDerWaalsContact O-CB 3.24Å; L113-S116 WeakPolarHBondContact O-CB 3.42Å; L113-S116 PolarHBondContact O-N 3.3Å; L113-S116 PolarHBondContact O-OG 3.38Å; L113-L118 HydrophobicContact CD1-CD2 4.21Å; L113-L142 VanDerWaalsContact C-CD1 3.41Å; L113-L142 HydrophobicContact CB-CD1 3.81Å; L113-L142 HydrophobicContact CB-CD2 4.48Å; L113-L142 VanDerWaalsContact O-CD1 3.24Å; L113-L142 WeakPolarHBondContact O-CD1 3.46Å
114A92.6Very high94.5Very high23 Ų2337.4 Ų37.419%0.1919%0.191CC..THydrogen-bonded Turntrans-61.7-21.2175.600000113.6L110 R111 V112 T140L110-A114 PolarHBondContact O-N 3.26Å; R111-A114 WeakPolarHBondContact O-CB 3.44Å; R111-A114 PolarHBondContact O-N 2.91Å; V112-A114 PolarHBondContact O-N 2.92Å; V112-A114 VanDerWaalsContact O-N 3.15Å; A114-T140 WeakPolarHBondContact CB-O 3.37Å
115Y92.3Very high94.8Very high79 Ų7937 Ų3731%0.3119%0.191SC..THydrogen-bonded Turntrans-85.9-14.7172.6-64.3-86.6000113.5P79 R80 A83 R111 V112 L113P79-Y115 HydrophobicContact CB-CE2 3.99Å; P79-Y115 HydrophobicContact CG-CE2 3.68Å; R80-Y115 WeakPolarHBondContact CG-OH 3.46Å; A83-Y115 HydrophobicContact CB-CD1 3.51Å; A83-Y115 HydrophobicContact CB-CE1 3.92Å; A83-Y115 HydrophobicContact CB-CG 3.86Å; R111-Y115 WeakPolarHBondContact O-CD2 3.25Å; V112-Y115 PolarHBondContact O-N 3.4Å; V112-Y115 VanDerWaalsContact O-N 3.13Å; L113-Y115 PolarHBondContact O-N 2.92Å
116S94.1Very high95Very high18 Ų1836 Ų3613%0.12619%0.185CC..SBendtrans-76.5178.8177.682.70000111.2L113 L118L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 VanDerWaalsContact O-CB 3.24Å; L113-S116 WeakPolarHBondContact O-CB 3.42Å; L113-S116 PolarHBondContact O-N 3.3Å; L113-S116 PolarHBondContact O-OG 3.38Å; S116-L118 VanDerWaalsContact OG-CB 3.23Å; S116-L118 WeakPolarHBondContact OG-CB 3.49Å; S116-L118 PolarHBondContact OG-N 3.29Å; S116-L118 VanDerWaalsContact OG-N 3.09Å
117R95.4Very high95.1Very high141 Ų14139.7 Ų39.753%0.53220%0.202SC..  trans-104.423.8172-58.2173-167.9-168.15.3111.7R92 Q119R92-R117 WeakPolarHBondContact CD-O 3.4Å; R117-Q119 PolarHBondContact O-N 3.47Å
118L97.7Very high95.3Very high5 Ų539.7 Ų39.73%0.02620%0.202CC..  trans-56.6135.6178.8-171.473.2000110.5V91 R92 L94 L113 S116 L121 L142 A143 L144V91-L118 HydrophobicContact CG2-CD1 4Å; R92-L118 WeakPolarHBondContact O-CD1 3.2Å; L94-L118 HydrophobicContact CB-CD1 3.58Å; L94-L118 HydrophobicContact CB-CD2 4.2Å; L94-L118 HydrophobicContact CD2-CD2 4.41Å; L113-L118 HydrophobicContact CD1-CD2 4.21Å; S116-L118 VanDerWaalsContact OG-CB 3.23Å; S116-L118 WeakPolarHBondContact OG-CB 3.49Å; S116-L118 PolarHBondContact OG-N 3.29Å; S116-L118 VanDerWaalsContact OG-N 3.09Å; L118-L121 HydrophobicContact CD2-CB 4.43Å; L118-L142 HydrophobicContact CD2-CD2 4.3Å; L118-A143 VanDerWaalsContact O-O 3.1Å; L118-L144 HydrophobicContact CD2-CD2 4.08Å; L118-L144 HydrophobicContact CG-CD2 4.18Å
119Q98Very high95.6Very high98 Ų9840 Ų4046%0.45820%0.201SC..  trans-118.9-29.2-178.4-65.1-174.4-2.500112.5R92 R117 S145 S146R92-Q119 PolarHBondContact O-N 3.46Å; R117-Q119 PolarHBondContact O-N 3.47Å; Q119-S145 WeakPolarHBondContact O-CA 3.48Å; Q119-S145 PolarHBondContact O-N 2.86Å; Q119-S145 PolarHBondContact O-OG 2.9Å; Q119-S146 PolarHBondContact O-N 3.28Å; Q119-S146 VanDerWaalsContact O-N 3.1Å
120E98.6Very high95.5Very high45 Ų4539.5 Ų39.521%0.2120%0.201CC..EExtended strand (participates in β ladder)trans-130.5127.7-176.7-48.6-174.3-137.100109.6R92 R93 L94 S146R92-E120 PolarHBondContact O-N 2.85Å; R93-E120 WeakPolarHBondContact CA-O 3.37Å; R93-E120 HydrophobicContact CB-CB 4.47Å; R93-E120 HydrophobicContact CG-CB 4.06Å; R93-E120 HydrophobicContact CG-CG 4.17Å; R93-E120 IonicContact CZ-OE1 2.74Å; R93-E120 IonicContact NE-OE1 3.69Å; R93-E120 PolarHBondContact NE-OE1 3.38Å; R93-E120 IonicContact NE-OE2 2.75Å; R93-E120 IonicContact NH2-OE1 2.82Å; R93-E120 PolarHBondContact NH2-OE1 3.42Å; L94-E120 PolarHBondContact N-O 3.39Å; E120-S146 WeakPolarHBondContact CA-O 3.21Å
121L98.8Very high95.4Very high8 Ų843.6 Ų43.64%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-122129.6175179.363.1000109.3L94 L110 L118 L123 L142 L144 S146 L147 R148L94-L121 HydrophobicContact CB-CD1 4.23Å; L94-L121 HydrophobicContact CD2-CD1 4.08Å; L94-L121 HydrophobicContact CG-CD1 4.17Å; L94-L121 CarbonylContact O-C 3.51Å; L94-L121 WeakPolarHBondContact O-CA 2.81Å; L110-L121 HydrophobicContact CD2-CD2 3.96Å; L118-L121 HydrophobicContact CD2-CB 4.43Å; L121-L123 HydrophobicContact CD1-CD2 4.02Å; L121-L123 HydrophobicContact CD2-CD2 4.38Å; L121-L123 HydrophobicContact CG-CD2 4.18Å; L121-L123 HydrophobicContact CG-CG 4.37Å; L121-L142 HydrophobicContact CD2-CD2 4.37Å; L121-L144 HydrophobicContact CB-CD1 3.68Å; L121-L144 HydrophobicContact CB-CD2 3.98Å; L121-L144 HydrophobicContact CD2-CD1 4.12Å; L121-S146 PolarHBondContact N-O 2.89Å; L121-L147 HydrophobicContact CB-CD1 4.08Å; L121-L147 HydrophobicContact CD2-CD1 4.06Å; L121-L147 HydrophobicContact CG-CD1 4.13Å; L121-L147 CarbonylContact O-C 3.39Å; L121-L147 WeakPolarHBondContact O-CA 3.44Å; L121-R148 PolarHBondContact O-N 2.74Å
122T98.7Very high95.3Very high31 Ų3142.5 Ų42.519%0.1922%0.223CC..EExtended strand (participates in β ladder)trans-119.4125.4172.5-56.60000109.1L94 T95 V96 R148L94-T122 PolarHBondContact O-N 2.98Å; T95-T122 CarbonylContact C-O 3.54Å; T95-T122 WeakPolarHBondContact CA-O 3.41Å; T95-T122 HydrophobicContact CG2-CG2 4.07Å; V96-T122 PolarHBondContact N-O 2.9Å; T122-R148 CarbonylContact C-O 3.47Å; T122-R148 VanDerWaalsContact CA-O 3.28Å; T122-R148 WeakPolarHBondContact CA-O 3.29Å; T122-R148 HydrophobicContact CG2-CB 4.08Å
123L98.4Very high95.2Very high7 Ų742.1 Ų42.14%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-112.5123.8170.8-55.9-177.7000108.2V96 L106 L121 L126 R148 L149 R150 V152V96-L123 HydrophobicContact CB-CD2 4.22Å; V96-L123 WeakPolarHBondContact O-CA 3.37Å; L106-L123 HydrophobicContact CD1-CD1 4.49Å; L121-L123 HydrophobicContact CD1-CD2 4.02Å; L121-L123 HydrophobicContact CD2-CD2 4.38Å; L121-L123 HydrophobicContact CG-CD2 4.18Å; L121-L123 HydrophobicContact CG-CG 4.37Å; L123-L126 HydrophobicContact CB-CD1 3.83Å; L123-L126 HydrophobicContact CD1-CD1 4.45Å; L123-L126 HydrophobicContact CD2-CD1 3.93Å; L123-L126 HydrophobicContact CG-CD1 4.27Å; L123-R148 PolarHBondContact N-O 2.99Å; L123-L149 HydrophobicContact CB-CD2 3.73Å; L123-L149 HydrophobicContact CD1-CD2 3.74Å; L123-L149 HydrophobicContact CG-CD2 3.92Å; L123-L149 CarbonylContact O-C 3.47Å; L123-L149 WeakPolarHBondContact O-CA 3.43Å; L123-R150 PolarHBondContact O-N 2.95Å; L123-V152 HydrophobicContact CB-CG2 3.99Å; L123-V152 WeakPolarHBondContact O-CG2 3.36Å
124E97.9Very high94.8Very high31 Ų3145.5 Ų45.515%0.14525%0.245CC..EExtended strand (participates in β ladder)trans-134.9133.7-174.8-179.2171.6-146.700112.4R60 V96 G97 A98 L126 R150R60-E124 IonicContact CZ-OE2 3.89Å; R60-E124 VanDerWaalsContact CZ-OE2 3.26Å; R60-E124 IonicContact NH1-OE2 2.82Å; R60-E124 PolarHBondContact NH1-OE2 3.27Å; R60-E124 IonicContact NH2-OE2 3.73Å; R60-E124 PolarHBondContact NH2-OE2 2.88Å; V96-E124 PolarHBondContact O-N 3.44Å; G97-E124 CarbonylContact C-O 3.29Å; G97-E124 WeakPolarHBondContact CA-O 3.35Å; A98-E124 PolarHBondContact N-O 3.13Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.47Å; E124-R150 CarbonylContact C-O 3.59Å; E124-R150 VanDerWaalsContact CA-O 3.25Å; E124-R150 WeakPolarHBondContact CA-O 3.4Å; E124-R150 HydrophobicContact CB-CB 4.47Å; E124-R150 HydrophobicContact CG-CB 4.16Å; E124-R150 HydrophobicContact CG-CG 4.41Å; E124-R150 WeakPolarHBondContact OE1-CD 3.37Å; E124-R150 IonicContact OE1-CZ 2.75Å; E124-R150 IonicContact OE1-NE 2.85Å; E124-R150 IonicContact OE1-NH1 3.53Å; E124-R150 PolarHBondContact OE1-NH1 2.93Å
125D97.4Very high94.1Very high58 Ų5847.2 Ų47.231%0.3125%0.251SS..EExtended strand (participates in β ladder)trans53.850177.1-56.4-45.2000111.8A98 A99 R150 N151A98-D125 WeakPolarHBondContact CA-O 3.44Å; A98-D125 PolarHBondContact N-O 2.85Å; A98-D125 VanDerWaalsContact N-O 3.17Å; A99-D125 PolarHBondContact N-O 3.17Å; D125-R150 PolarHBondContact N-O 2.89Å; D125-N151 VanDerWaalsContact CA-O 3.29Å; D125-N151 WeakPolarHBondContact CA-O 3.37Å; D125-N151 PolarHBondContact N-O 3Å; D125-N151 WeakPolarHBondContact OD1-CB 3.42Å; D125-N151 PolarHBondContact OD1-ND2 3.28Å
126L97.3Very high93.6Very high5 Ų546.1 Ų46.13%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-112.9140.1-178.7-63.9-170.7000111.8A99 V101 L123 E124 I128 N151 V152 S153A99-L126 HydrophobicContact CB-CD2 3.71Å; A99-L126 WeakPolarHBondContact O-CA 3.44Å; V101-L126 HydrophobicContact CG2-CD2 4.25Å; L123-L126 HydrophobicContact CB-CD1 3.83Å; L123-L126 HydrophobicContact CD1-CD1 4.45Å; L123-L126 HydrophobicContact CD2-CD1 3.93Å; L123-L126 HydrophobicContact CG-CD1 4.27Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.47Å; L126-I128 HydrophobicContact CB-CD1 4.13Å; L126-I128 HydrophobicContact CD1-CD1 4.31Å; L126-N151 PolarHBondContact N-O 2.8Å; L126-V152 HydrophobicContact CB-CG1 4.15Å; L126-V152 HydrophobicContact CB-CG2 4.31Å; L126-V152 CarbonylContact O-C 3.55Å; L126-V152 VanDerWaalsContact O-CA 3.32Å; L126-V152 WeakPolarHBondContact O-CA 3.44Å; L126-S153 PolarHBondContact O-N 3.02Å
127E96.9Very high92.5Very high94 Ų9454.3 Ų54.344%0.43930%0.295SS..EExtended strand (participates in β ladder)trans-108.9107.8167.1-178-176.4148.300109.8A99 Q100 V101 T129 S153A99-E127 PolarHBondContact O-N 3.37Å; Q100-E127 CarbonylContact C-O 3.58Å; Q100-E127 WeakPolarHBondContact CA-O 3.25Å; Q100-E127 HydrophobicContact CB-CB 4.33Å; Q100-E127 HydrophobicContact CG-CB 4.12Å; Q100-E127 HydrophobicContact CG-CG 4.2Å; Q100-E127 PolarHBondContact NE2-OE1 3Å; V101-E127 PolarHBondContact N-O 2.99Å; E127-T129 HydrophobicContact CG-CG2 4.22Å; E127-T129 PolarHBondContact O-N 2.73Å; E127-S153 WeakPolarHBondContact CA-OG 3.36Å; E127-S153 WeakPolarHBondContact CG-OG 3.42Å
128I96.5Very high91.2Very high4 Ų455.1 Ų55.12%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-89.1108.8179.4-50.9-54.1000110V101 A103 L106 L126 V152 S153 W154 A155V101-I128 HydrophobicContact CB-CD1 3.89Å; V101-I128 HydrophobicContact CG2-CD1 4.46Å; V101-I128 VanDerWaalsContact O-CA 3.31Å; V101-I128 WeakPolarHBondContact O-CA 3.36Å; A103-I128 HydrophobicContact CB-CG2 4.03Å; L106-I128 HydrophobicContact CD2-CD1 3.99Å; L106-I128 HydrophobicContact CD2-CG1 4.31Å; L106-I128 HydrophobicContact CD2-CG2 4.3Å; L126-I128 HydrophobicContact CB-CD1 4.13Å; L126-I128 HydrophobicContact CD1-CD1 4.31Å; I128-V152 HydrophobicContact CG1-CG1 4.04Å; I128-S153 WeakPolarHBondContact CB-O 3.36Å; I128-S153 PolarHBondContact N-O 3Å; I128-W154 HydrophobicContact CB-CD2 4.23Å; I128-W154 HydrophobicContact CB-CE3 3.7Å; I128-W154 HydrophobicContact CB-CZ3 4.12Å; I128-W154 HydrophobicContact CG1-CD2 4.12Å; I128-W154 HydrophobicContact CG1-CE3 3.73Å; I128-W154 HydrophobicContact CG1-CH2 4.19Å; I128-W154 HydrophobicContact CG1-CZ3 3.77Å; I128-W154 HydrophobicContact CG2-CE3 3.75Å; I128-W154 HydrophobicContact CG2-CZ3 3.95Å; I128-A155 PolarHBondContact O-N 2.87Å; I128-A155 VanDerWaalsContact O-N 3.1Å
129T95.3Very high89.9Confident21 Ų2156 Ų5613%0.12931%0.312CS..EExtended strand (participates in β ladder)trans-93.5150.3-178.164.10000112Q100 V101 P102 A103 E127Q100-T129 HydrophobicContact CG-CG2 3.58Å; V101-T129 PolarHBondContact O-N 3.13Å; P102-T129 WeakPolarHBondContact CA-OG1 3.26Å; A103-T129 WeakPolarHBondContact CB-O 3.37Å; A103-T129 PolarHBondContact N-O 3.48Å; E127-T129 HydrophobicContact CG-CG2 4.22Å; E127-T129 PolarHBondContact O-N 2.73Å
130G92.1Very high88.9Confident39 Ų3954.6 Ų54.640%0.40231%0.311SS..SBendtrans71.6-172.8-17800000114.2A155G130-A155 WeakPolarHBondContact O-CB 3.35Å
131T89.4Confident88.4Confident92 Ų9253 Ų5356%0.56431%0.306SS*.  trans-105.9141.6-177.357.80000111T156T131-T156 HydrophobicContact CG2-CG2 3.82Å
132M89.6Confident88.2Confident17 Ų1752.8 Ų52.88%0.08431%0.305CS..PPolyproline II helixtrans-68.8128174-78-177.1-92.700109.8A103 V107 W154 E163 L164A103-M132 HydrophobicContact CB-CG 3.96Å; V107-M132 HydrophobicContact CG2-CB 4.31Å; V107-M132 HydrophobicContact CG2-CG 3.99Å; V107-M132 HydrophobicContact CG2-SD 4.4Å; M132-W154 HydrophobicContact CE-CE3 3.79Å; M132-W154 HydrophobicContact CE-CZ3 3.56Å; M132-W154 HydrophobicContact SD-CZ3 4.3Å; M132-E163 HydrophobicContact CB-CB 4.25Å; M132-E163 HydrophobicContact CE-CB 3.44Å; M132-E163 VanDerWaalsContact CE-CB 3.44Å; M132-E163 HydrophobicContact SD-CB 4.21Å; M132-L164 HydrophobicContact CE-CB 4.18Å; M132-L164 HydrophobicContact SD-CB 4.5Å
133P88Confident88Confident39 Ų3953.8 Ų53.825%0.25332%0.317SS..PPolyproline II helixtrans-63.7154.6171.927-34.5000110.5V107 W167V107-P133 HydrophobicContact CB-CG 4.42Å; V107-P133 HydrophobicContact CG1-CG 4.11Å; V107-P133 HydrophobicContact CG2-CG 4.4Å; P133-W167 HydrophobicContact CG-CZ2 4.41Å; P133-W167 VanDerWaalsContact O-CZ2 3.27Å; P133-W167 WeakPolarHBondContact O-CZ2 3.37Å; P133-W167 PolarHBondContact O-NE1 3.36Å
134P84.9Confident88Confident100 Ų10053.8 Ų53.865%0.64932%0.317SS*.PPolyproline II helixtrans-67.6148.1174.428.3-33.7000111.2P136P134-P136 WeakPolarHBondContact O-CD 3.34Å
135L79.7Confident88Confident59 Ų5954.1 Ų54.131%0.30932%0.322SS..PPolyproline II helixtrans-63.7123.2176.6-174.976.3000111A139 Q166 W167L135-A139 HydrophobicContact CD1-CB 3.47Å; L135-A139 VanDerWaalsContact CD1-CB 3.47Å; L135-A139 HydrophobicContact CG-CB 4Å; L135-Q166 HydrophobicContact CB-CB 4.3Å; L135-Q166 WeakPolarHBondContact CD2-O 3.46Å; L135-W167 HydrophobicContact CB-CH2 4.46Å; L135-W167 HydrophobicContact CB-CZ2 4.36Å; L135-W167 HydrophobicContact CD1-CD2 3.94Å; L135-W167 HydrophobicContact CD1-CE3 3.34Å; L135-W167 HydrophobicContact CD1-CH2 3.71Å; L135-W167 HydrophobicContact CD1-CZ2 4.25Å; L135-W167 HydrophobicContact CD1-CZ3 3.21Å; L135-W167 HydrophobicContact CG-CZ3 4.48Å
136P80.3Confident88.1Confident56 Ų5651.7 Ų51.736%0.36431%0.31SS..PPolyproline II helixtrans-63149.8171.7-21.532.9000112.1P134 E138 A139P134-P136 WeakPolarHBondContact O-CD 3.34Å; P136-E138 PolarHBondContact O-N 2.92Å; P136-E138 VanDerWaalsContact O-N 3.09Å; P136-A139 HydrophobicContact CB-CB 4.28Å; P136-A139 HydrophobicContact CG-CB 4.38Å; P136-A139 WeakPolarHBondContact O-CB 3.39Å; P136-A139 PolarHBondContact O-N 3.37Å
137L71.5Confident88.1Confident190 Ų19051.6 Ų51.6100%0.99531%0.309SS*.THydrogen-bonded Turntrans-56.1-30.7-176.9-69.4169.7000114.2
138E68.8Low88.2Confident158 Ų15851.7 Ų51.774%0.73831%0.306SS*.THydrogen-bonded Turntrans-88.7-9.1-178.9-60.2-174.6-177.500113.7P136P136-E138 PolarHBondContact O-N 2.92Å; P136-E138 VanDerWaalsContact O-N 3.09Å
139A69.6Low88.3Confident23 Ų2351.8 Ų51.819%0.1931%0.306CS..PPolyproline II helixtrans-81.4137.7-172.100000111.8L135 P136L135-A139 HydrophobicContact CD1-CB 3.47Å; L135-A139 VanDerWaalsContact CD1-CB 3.47Å; L135-A139 HydrophobicContact CG-CB 4Å; P136-A139 HydrophobicContact CB-CB 4.28Å; P136-A139 HydrophobicContact CG-CB 4.38Å; P136-A139 WeakPolarHBondContact O-CB 3.39Å; P136-A139 PolarHBondContact O-N 3.37Å
140T77.9Confident88.4Confident70 Ų7055.4 Ų55.443%0.42932%0.317SS..PPolyproline II helixtrans-97.6127.3177.2-58.20000109.8A114A114-T140 WeakPolarHBondContact CB-O 3.37Å
141G87Confident88.7Confident11 Ų1157 Ų5711%0.11332%0.317CS..PPolyproline II helixtrans-67.2157.8174.200000113.2W167 K169G141-W167 CarbonylContact C-O 3.6Å; G141-W167 WeakPolarHBondContact CA-O 3.39Å; G141-K169 VanDerWaalsContact O-CE 3.25Å; G141-K169 WeakPolarHBondContact O-CE 3.19Å; G141-K169 WeakPolarHBondContact O-CG 3.29Å
142L94.6Very high89Confident3 Ų353 Ų532%0.01629%0.292CS..BIsolated β-bridgetrans-71.8132.2177.9-178.464.1000111.4L110 L113 L118 L121 L144 W167 L168 K169L110-L142 HydrophobicContact CD2-CD2 3.68Å; L113-L142 VanDerWaalsContact C-CD1 3.41Å; L113-L142 HydrophobicContact CB-CD1 3.81Å; L113-L142 HydrophobicContact CB-CD2 4.48Å; L113-L142 VanDerWaalsContact O-CD1 3.24Å; L113-L142 WeakPolarHBondContact O-CD1 3.46Å; L118-L142 HydrophobicContact CD2-CD2 4.3Å; L121-L142 HydrophobicContact CD2-CD2 4.37Å; L142-L144 HydrophobicContact CD2-CD1 3.95Å; L142-L144 HydrophobicContact CD2-CD2 3.85Å; L142-L144 HydrophobicContact CD2-CG 3.83Å; L142-L144 HydrophobicContact CG-CD1 4.48Å; L142-L144 HydrophobicContact CG-CD2 4Å; L142-L144 HydrophobicContact CG-CG 3.88Å; L142-L144 PolarHBondContact O-N 2.99Å; L142-W167 PolarHBondContact N-O 3.15Å; L142-L168 HydrophobicContact CB-CD2 4.48Å; L142-K169 PolarHBondContact O-N 3.02Å
143A95.8Very high89.3Confident53 Ų5354 Ų5444%0.43830%0.301SS..  trans-89.881.2-177.500000112.2L118 K169L118-A143 VanDerWaalsContact O-O 3.1Å; A143-K169 HydrophobicContact CB-CD 3.74Å; A143-K169 HydrophobicContact CB-CG 4.43Å
144L97.8Very high89.6Confident7 Ų753.6 Ų53.64%0.03730%0.295CS..  trans-94.4145.2178.5-64.8179.3000113L118 L121 L142 L147 L168 G171 L172L118-L144 HydrophobicContact CD2-CD2 4.08Å; L118-L144 HydrophobicContact CG-CD2 4.18Å; L121-L144 HydrophobicContact CB-CD1 3.68Å; L121-L144 HydrophobicContact CB-CD2 3.98Å; L121-L144 HydrophobicContact CD2-CD1 4.12Å; L142-L144 HydrophobicContact CD2-CD1 3.95Å; L142-L144 HydrophobicContact CD2-CD2 3.85Å; L142-L144 HydrophobicContact CD2-CG 3.83Å; L142-L144 HydrophobicContact CG-CD1 4.48Å; L142-L144 HydrophobicContact CG-CD2 4Å; L142-L144 HydrophobicContact CG-CG 3.88Å; L142-L144 PolarHBondContact O-N 2.99Å; L144-L147 HydrophobicContact CD1-CB 4.28Å; L144-L147 HydrophobicContact CD1-CD1 4.17Å; L144-L168 HydrophobicContact CD1-CD2 3.87Å; L144-L168 HydrophobicContact CG-CD2 4.46Å; L144-G171 CarbonylContact O-C 3.21Å; L144-L172 HydrophobicContact CB-CD1 3.84Å; L144-L172 WeakPolarHBondContact O-CA 3.17Å; L144-L172 PolarHBondContact O-N 3.03Å
145S98.1Very high89.9Confident38 Ų3852 Ų5227%0.26629%0.29SS..SBendtrans-93.7-34.7164.9730000111.9Q119 K173 V174Q119-S145 WeakPolarHBondContact O-CA 3.48Å; Q119-S145 PolarHBondContact O-N 2.86Å; Q119-S145 PolarHBondContact O-OG 2.9Å; S145-K173 WeakPolarHBondContact O-CA 3.23Å; S145-K173 WeakPolarHBondContact O-CB 3.25Å; S145-K173 PolarHBondContact O-N 3.49Å; S145-V174 PolarHBondContact O-N 2.86Å
146S98.6Very high90.2Very high6 Ų650.8 Ų50.84%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-136.3133.7-179-178.80000110.5Q119 E120 L121 V174Q119-S146 PolarHBondContact O-N 3.28Å; Q119-S146 VanDerWaalsContact O-N 3.1Å; E120-S146 WeakPolarHBondContact CA-O 3.21Å; L121-S146 PolarHBondContact N-O 2.89Å; S146-V174 WeakPolarHBondContact CA-O 3.31Å
147L98.7Very high90.5Very high3 Ų349.6 Ų49.62%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-127.2126.3172.4176.162.7000108.7L121 L144 L149 L164 L168 L172 V174 L175 S176L121-L147 HydrophobicContact CB-CD1 4.08Å; L121-L147 HydrophobicContact CD2-CD1 4.06Å; L121-L147 HydrophobicContact CG-CD1 4.13Å; L121-L147 CarbonylContact O-C 3.39Å; L121-L147 WeakPolarHBondContact O-CA 3.44Å; L144-L147 HydrophobicContact CD1-CB 4.28Å; L144-L147 HydrophobicContact CD1-CD1 4.17Å; L147-L149 HydrophobicContact CD1-CD2 4.04Å; L147-L149 HydrophobicContact CG-CD2 4.35Å; L147-L149 HydrophobicContact CG-CG 4.36Å; L147-L164 HydrophobicContact CD2-CD2 3.92Å; L147-L168 HydrophobicContact CD2-CD1 3.91Å; L147-L172 HydrophobicContact CB-CD1 3.84Å; L147-L172 HydrophobicContact CB-CD2 4.29Å; L147-V174 PolarHBondContact N-O 2.86Å; L147-L175 HydrophobicContact CB-CD1 4.18Å; L147-L175 HydrophobicContact CD2-CD1 4.02Å; L147-L175 HydrophobicContact CG-CD1 4.13Å; L147-L175 CarbonylContact O-C 3.6Å; L147-L175 WeakPolarHBondContact O-CA 3.32Å; L147-S176 PolarHBondContact O-N 3.29Å
148R98.7Very high91.3Very high97 Ų9747.7 Ų47.737%0.36626%0.262SS..EExtended strand (participates in β ladder)trans-123.9131.5178.2-57-174.9-179.6-85.6-1.2109.9L121 T122 L123 S176L121-R148 PolarHBondContact O-N 2.74Å; T122-R148 CarbonylContact C-O 3.47Å; T122-R148 VanDerWaalsContact CA-O 3.28Å; T122-R148 WeakPolarHBondContact CA-O 3.29Å; T122-R148 HydrophobicContact CG2-CB 4.08Å; L123-R148 PolarHBondContact N-O 2.99Å; R148-S176 CarbonylContact C-O 3.47Å; R148-S176 WeakPolarHBondContact CA-O 3.41Å
149L98.1Very high92.4Very high6 Ų641.2 Ų41.23%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-127.1125.9179.7-54.8174.7000107.5L123 L147 V152 W160 L164 S176 I177 A178L123-L149 HydrophobicContact CB-CD2 3.73Å; L123-L149 HydrophobicContact CD1-CD2 3.74Å; L123-L149 HydrophobicContact CG-CD2 3.92Å; L123-L149 CarbonylContact O-C 3.47Å; L123-L149 WeakPolarHBondContact O-CA 3.43Å; L147-L149 HydrophobicContact CD1-CD2 4.04Å; L147-L149 HydrophobicContact CG-CD2 4.35Å; L147-L149 HydrophobicContact CG-CG 4.36Å; L149-V152 HydrophobicContact CB-CG2 4.32Å; L149-W160 HydrophobicContact CD1-CE3 4.46Å; L149-W160 HydrophobicContact CD1-CH2 3.25Å; L149-W160 HydrophobicContact CD1-CZ2 4.32Å; L149-W160 HydrophobicContact CD1-CZ3 3.33Å; L149-L164 HydrophobicContact CD1-CD2 4.49Å; L149-S176 PolarHBondContact N-O 3.09Å; L149-I177 HydrophobicContact CD1-CG1 4.45Å; L149-I177 CarbonylContact O-C 3.26Å; L149-I177 WeakPolarHBondContact O-CA 3.26Å; L149-A178 PolarHBondContact O-N 2.88Å
150R97.9Very high93.5Very high96 Ų9640.5 Ų40.536%0.36223%0.227SC..EExtended strand (participates in β ladder)trans-134.4121.9177.2-177.1168.2-174-79.4-3.1109.7L123 E124 D125 V152 A178 Q179L123-R150 PolarHBondContact O-N 2.95Å; E124-R150 CarbonylContact C-O 3.59Å; E124-R150 VanDerWaalsContact CA-O 3.25Å; E124-R150 WeakPolarHBondContact CA-O 3.4Å; E124-R150 HydrophobicContact CB-CB 4.47Å; E124-R150 HydrophobicContact CG-CB 4.16Å; E124-R150 HydrophobicContact CG-CG 4.41Å; E124-R150 WeakPolarHBondContact OE1-CD 3.37Å; E124-R150 IonicContact OE1-CZ 2.75Å; E124-R150 IonicContact OE1-NE 2.85Å; E124-R150 IonicContact OE1-NH1 3.53Å; E124-R150 PolarHBondContact OE1-NH1 2.93Å; D125-R150 PolarHBondContact N-O 2.89Å; R150-V152 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 2.82Å; R150-A178 WeakPolarHBondContact CA-O 3.27Å; R150-A178 HydrophobicContact CB-CB 4.39Å; R150-A178 HydrophobicContact CG-CB 4.16Å; R150-Q179 VanDerWaalsContact CZ-NE2 3.33Å
151N97.1Very high94.3Very high72 Ų7237.3 Ų37.339%0.38521%0.207SC..EExtended strand (participates in β ladder)trans51.651-180-170.932.3000112.2D125 L126 A178 Q179D125-N151 VanDerWaalsContact CA-O 3.29Å; D125-N151 WeakPolarHBondContact CA-O 3.37Å; D125-N151 PolarHBondContact N-O 3Å; D125-N151 WeakPolarHBondContact OD1-CB 3.42Å; D125-N151 PolarHBondContact OD1-ND2 3.28Å; L126-N151 PolarHBondContact N-O 2.8Å; N151-A178 PolarHBondContact N-O 3.32Å; N151-Q179 HydrophobicContact CB-CB 4.11Å
152V96.7Very high94.6Very high9 Ų937.1 Ų37.16%0.05521%0.205CC..EExtended strand (participates in β ladder)trans-107.1123.3176.9-176.80000109.1L123 L126 I128 L149 R150 W154L123-V152 HydrophobicContact CB-CG2 3.99Å; L123-V152 WeakPolarHBondContact O-CG2 3.36Å; L126-V152 HydrophobicContact CB-CG1 4.15Å; L126-V152 HydrophobicContact CB-CG2 4.31Å; L126-V152 CarbonylContact O-C 3.55Å; L126-V152 VanDerWaalsContact O-CA 3.32Å; L126-V152 WeakPolarHBondContact O-CA 3.44Å; I128-V152 HydrophobicContact CG1-CG1 4.04Å; L149-V152 HydrophobicContact CB-CG2 4.32Å; R150-V152 VanDerWaalsContact C-N 3.31Å; R150-V152 PolarHBondContact O-N 2.82Å; V152-W154 HydrophobicContact CG1-CD2 4.36Å; V152-W154 HydrophobicContact CG1-CZ2 3.73Å
153S95.2Very high94.5Very high39 Ų3938.5 Ų38.527%0.27321%0.211SC..EExtended strand (participates in β ladder)trans-102.5149.4174.567.90000110.9L126 E127 I128L126-S153 PolarHBondContact O-N 3.02Å; E127-S153 WeakPolarHBondContact CA-OG 3.36Å; E127-S153 WeakPolarHBondContact CG-OG 3.42Å; I128-S153 WeakPolarHBondContact CB-O 3.36Å; I128-S153 PolarHBondContact N-O 3Å
154W94.7Very high94.5Very high30 Ų3036.2 Ų36.211%0.11419%0.192CC..EExtended strand (participates in β ladder)trans-135.3134.7-175.6-54.485.6000109.3L106 I128 M132 V152 T156 G157 W160 L164L106-W154 HydrophobicContact CD2-CH2 4.04Å; L106-W154 HydrophobicContact CD2-CZ3 3.83Å; I128-W154 HydrophobicContact CB-CD2 4.23Å; I128-W154 HydrophobicContact CB-CE3 3.7Å; I128-W154 HydrophobicContact CB-CZ3 4.12Å; I128-W154 HydrophobicContact CG1-CD2 4.12Å; I128-W154 HydrophobicContact CG1-CE3 3.73Å; I128-W154 HydrophobicContact CG1-CH2 4.19Å; I128-W154 HydrophobicContact CG1-CZ3 3.77Å; I128-W154 HydrophobicContact CG2-CE3 3.75Å; I128-W154 HydrophobicContact CG2-CZ3 3.95Å; M132-W154 HydrophobicContact CE-CE3 3.79Å; M132-W154 HydrophobicContact CE-CZ3 3.56Å; M132-W154 HydrophobicContact SD-CZ3 4.3Å; V152-W154 HydrophobicContact CG1-CD2 4.36Å; V152-W154 HydrophobicContact CG1-CZ2 3.73Å; W154-T156 PolarHBondContact O-N 2.86Å; W154-G157 PolarHBondContact O-N 2.84Å; W154-W160 HydrophobicContact CB-CB 3.57Å; W154-W160 HydrophobicContact CB-CG 4.2Å; W154-W160 AromaticContact CD1-CD1 3.74Å; W154-W160 AromaticContact CD1-CD2 3.73Å; W154-W160 AromaticContact CD1-CG 3.47Å; W154-W160 VanDerWaalsContact CD1-CG 3.47Å; W154-W160 HydrophobicContact CD2-CB 3.68Å; W154-W160 HydrophobicContact CD2-CD2 4.27Å; W154-W160 HydrophobicContact CD2-CE3 4.18Å; W154-W160 HydrophobicContact CD2-CG 4.09Å; W154-W160 AromaticContact CE2-CD2 3.85Å; W154-W160 AromaticContact CE2-CE3 3.52Å; W154-W160 HydrophobicContact CE3-CB 4.22Å; W154-W160 HydrophobicContact CG-CB 3.37Å; W154-W160 HydrophobicContact CG-CD2 4.21Å; W154-W160 AromaticContact CG-CG 3.68Å; W154-W160 HydrophobicContact CG-CG 3.68Å; W154-W160 HydrophobicContact CH2-CE3 4.44Å; W154-W160 HydrophobicContact CZ2-CD2 4.46Å; W154-W160 AromaticContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CZ3 4.07Å; W154-W160 AromaticContact NE1-CD2 3.48Å; W154-W160 AromaticContact NE1-CE3 3.57Å; W154-W160 AromaticContact NE1-CG 3.77Å; W154-L164 HydrophobicContact CH2-CD1 4.36Å; W154-L164 HydrophobicContact CH2-CD2 4.11Å; W154-L164 HydrophobicContact CZ2-CD2 4.32Å
155A91.7Very high94.3Very high67 Ų6736.4 Ų36.455%0.55419%0.192SC*.THydrogen-bonded Turntrans-60.2-30177.400000113.1I128 G130 G157I128-A155 PolarHBondContact O-N 2.87Å; I128-A155 VanDerWaalsContact O-N 3.1Å; G130-A155 WeakPolarHBondContact O-CB 3.35Å; A155-G157 VanDerWaalsContact C-N 3.25Å; A155-G157 PolarHBondContact O-N 2.92Å
156T85.3Confident94Very high32 Ų3237.7 Ų37.720%0.19619%0.194CC..THydrogen-bonded Turntrans-82.91.8-175.6590000114.2T131 W154 R158 S159 E163T131-T156 HydrophobicContact CG2-CG2 3.82Å; W154-T156 PolarHBondContact O-N 2.86Å; T156-R158 PolarHBondContact O-N 2.94Å; T156-S159 VanDerWaalsContact CB-OG 3.31Å; T156-S159 WeakPolarHBondContact CB-OG 3.37Å; T156-S159 PolarHBondContact O-N 2.94Å; T156-S159 PolarHBondContact O-OG 2.91Å; T156-S159 VanDerWaalsContact O-OG 3.12Å; T156-E163 WeakPolarHBondContact CB-OE1 3.29Å; T156-E163 VanDerWaalsContact CG2-OE1 3.3Å; T156-E163 WeakPolarHBondContact CG2-OE1 3.32Å; T156-E163 VanDerWaalsContact CG2-OE2 3.31Å; T156-E163 WeakPolarHBondContact CG2-OE2 3.35Å; T156-E163 PolarHBondContact OG1-OE1 2.91Å; T156-E163 VanDerWaalsContact OG1-OE1 3.14Å; T156-E163 PolarHBondContact OG1-OE2 2.81Å
157G87.5Confident93.8Very high31 Ų3137.6 Ų37.632%0.3219%0.193SC..G310 helixtrans56-124.2176.200000110.5W154 A155 S159 W160W154-G157 PolarHBondContact O-N 2.84Å; A155-G157 VanDerWaalsContact C-N 3.25Å; A155-G157 PolarHBondContact O-N 2.92Å; G157-S159 VanDerWaalsContact C-N 3.26Å; G157-S159 PolarHBondContact O-N 2.92Å; G157-S159 VanDerWaalsContact O-N 3.13Å; G157-W160 PolarHBondContact O-N 3.34Å
158R88.3Confident93.6Very high150 Ų15038.6 Ų38.657%0.56620%0.198SC*.G310 helixtrans-68.9-11-170.8-58.7-172.8-178.4174.51.3116.1T156 A184 S186T156-R158 PolarHBondContact O-N 2.94Å; R158-A184 WeakPolarHBondContact CB-O 3.47Å; R158-A184 WeakPolarHBondContact CG-O 3.41Å; R158-S186 PolarHBondContact O-N 2.85Å
159S91.5Very high93.4Very high22 Ų2238.2 Ų38.215%0.15420%0.199CC..G310 helixtrans-90.3-6.4178.159.30000114.1T156 G157 L161 A162 E163 Q189T156-S159 VanDerWaalsContact CB-OG 3.31Å; T156-S159 WeakPolarHBondContact CB-OG 3.37Å; T156-S159 PolarHBondContact O-N 2.94Å; T156-S159 PolarHBondContact O-OG 2.91Å; T156-S159 VanDerWaalsContact O-OG 3.12Å; G157-S159 VanDerWaalsContact C-N 3.26Å; G157-S159 PolarHBondContact O-N 2.92Å; G157-S159 VanDerWaalsContact O-N 3.13Å; S159-L161 PolarHBondContact O-N 3.41Å; S159-L161 VanDerWaalsContact O-N 3.08Å; S159-A162 PolarHBondContact O-N 3.26Å; S159-E163 PolarHBondContact O-N 3.09Å; S159-E163 VanDerWaalsContact O-N 3.12Å; S159-E163 PolarHBondContact OG-OE1 2.87Å; S159-Q189 VanDerWaalsContact CB-OE1 3.3Å
160W93.3Very high93.2Very high8 Ų842.4 Ų42.43%0.0323%0.226CC..Hα-helixtrans-52.1-40.3-173.376-105.7000113.2L149 W154 G157 E163 L164 I177 F185L149-W160 HydrophobicContact CD1-CE3 4.46Å; L149-W160 HydrophobicContact CD1-CH2 3.25Å; L149-W160 HydrophobicContact CD1-CZ2 4.32Å; L149-W160 HydrophobicContact CD1-CZ3 3.33Å; W154-W160 HydrophobicContact CB-CB 3.57Å; W154-W160 HydrophobicContact CB-CG 4.2Å; W154-W160 AromaticContact CD1-CD1 3.74Å; W154-W160 AromaticContact CD1-CD2 3.73Å; W154-W160 AromaticContact CD1-CG 3.47Å; W154-W160 VanDerWaalsContact CD1-CG 3.47Å; W154-W160 HydrophobicContact CD2-CB 3.68Å; W154-W160 HydrophobicContact CD2-CD2 4.27Å; W154-W160 HydrophobicContact CD2-CE3 4.18Å; W154-W160 HydrophobicContact CD2-CG 4.09Å; W154-W160 AromaticContact CE2-CD2 3.85Å; W154-W160 AromaticContact CE2-CE3 3.52Å; W154-W160 HydrophobicContact CE3-CB 4.22Å; W154-W160 HydrophobicContact CG-CB 3.37Å; W154-W160 HydrophobicContact CG-CD2 4.21Å; W154-W160 AromaticContact CG-CG 3.68Å; W154-W160 HydrophobicContact CG-CG 3.68Å; W154-W160 HydrophobicContact CH2-CE3 4.44Å; W154-W160 HydrophobicContact CZ2-CD2 4.46Å; W154-W160 AromaticContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CE3 3.68Å; W154-W160 HydrophobicContact CZ2-CZ3 4.07Å; W154-W160 AromaticContact NE1-CD2 3.48Å; W154-W160 AromaticContact NE1-CE3 3.57Å; W154-W160 AromaticContact NE1-CG 3.77Å; G157-W160 PolarHBondContact O-N 3.34Å; W160-E163 PolarHBondContact O-N 2.76Å; W160-L164 HydrophobicContact CE3-CD2 4.32Å; W160-L164 HydrophobicContact CZ3-CD2 3.89Å; W160-L164 WeakPolarHBondContact O-CB 3.31Å; W160-L164 PolarHBondContact O-N 3.49Å; W160-I177 HydrophobicContact CH2-CD1 3.89Å; W160-I177 HydrophobicContact CH2-CG1 4.4Å; W160-I177 HydrophobicContact CZ2-CD1 4.04Å; W160-I177 HydrophobicContact CZ2-CG2 4.39Å; W160-F185 AromaticContact CE2-CE1 3.98Å; W160-F185 AromaticContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CZ 4.38Å; W160-F185 AromaticContact NE1-CE1 3.95Å
161L94.1Very high93.1Very high3 Ų339.7 Ų39.72%0.01623%0.228CC..Hα-helixtrans-67.6-40.3-177.9-177.161.7000111.4S159 L164 Q165 F185 V190 F193S159-L161 PolarHBondContact O-N 3.41Å; S159-L161 VanDerWaalsContact O-N 3.08Å; L161-L164 PolarHBondContact O-N 3.01Å; L161-Q165 VanDerWaalsContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 WeakPolarHBondContact O-CG 3.38Å; L161-Q165 PolarHBondContact O-N 3.43Å; L161-F185 HydrophobicContact CB-CD1 4.05Å; L161-F185 HydrophobicContact CB-CE1 4.3Å; L161-F185 HydrophobicContact CD2-CD1 3.91Å; L161-F185 HydrophobicContact CD2-CD2 3.92Å; L161-F185 HydrophobicContact CD2-CE1 3.94Å; L161-F185 HydrophobicContact CD2-CE2 3.94Å; L161-F185 HydrophobicContact CD2-CG 3.92Å; L161-F185 HydrophobicContact CD2-CZ 3.96Å; L161-V190 HydrophobicContact CD2-CG1 4.44Å; L161-V190 HydrophobicContact CD2-CG2 4.35Å; L161-F193 HydrophobicContact CD1-CZ 4.1Å; L161-F193 HydrophobicContact CD2-CE2 4.4Å
162A93.3Very high93.2Very high8 Ų836.4 Ų36.47%0.06621%0.211CC..Hα-helixtrans-68-37.617900000111.6S159 Q189 V190S159-A162 PolarHBondContact O-N 3.26Å; A162-Q189 HydrophobicContact CB-CB 3.59Å; A162-V190 HydrophobicContact CB-CG2 4.29Å
163E93.1Very high93.2Very high32 Ų3241.6 Ų41.615%0.1523%0.232CC..Hα-helixtrans-67.1-48.6174.2-71.6168.9-137.800111.4M132 T156 S159 W160 Q165 Q166M132-E163 HydrophobicContact CB-CB 4.25Å; M132-E163 HydrophobicContact CE-CB 3.44Å; M132-E163 VanDerWaalsContact CE-CB 3.44Å; M132-E163 HydrophobicContact SD-CB 4.21Å; T156-E163 WeakPolarHBondContact CB-OE1 3.29Å; T156-E163 VanDerWaalsContact CG2-OE1 3.3Å; T156-E163 WeakPolarHBondContact CG2-OE1 3.32Å; T156-E163 VanDerWaalsContact CG2-OE2 3.31Å; T156-E163 WeakPolarHBondContact CG2-OE2 3.35Å; T156-E163 PolarHBondContact OG1-OE1 2.91Å; T156-E163 VanDerWaalsContact OG1-OE1 3.14Å; T156-E163 PolarHBondContact OG1-OE2 2.81Å; S159-E163 PolarHBondContact O-N 3.09Å; S159-E163 VanDerWaalsContact O-N 3.12Å; S159-E163 PolarHBondContact OG-OE1 2.87Å; W160-E163 PolarHBondContact O-N 2.76Å; E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 2.81Å; E163-Q166 VanDerWaalsContact O-CB 3.25Å; E163-Q166 WeakPolarHBondContact O-CB 3.45Å; E163-Q166 WeakPolarHBondContact O-CG 3.38Å; E163-Q166 PolarHBondContact O-N 2.91Å
164L94.3Very high93.4Very high5 Ų541.4 Ų41.43%0.02623%0.23CC..Hα-helixtrans-61.1-38.9178.1-178.162.2000111.7L110 M132 L147 L149 W154 W160 L161 Q166 W167 L168L110-L164 HydrophobicContact CD1-CD1 4.02Å; M132-L164 HydrophobicContact CE-CB 4.18Å; M132-L164 HydrophobicContact SD-CB 4.5Å; L147-L164 HydrophobicContact CD2-CD2 3.92Å; L149-L164 HydrophobicContact CD1-CD2 4.49Å; W154-L164 HydrophobicContact CH2-CD1 4.36Å; W154-L164 HydrophobicContact CH2-CD2 4.11Å; W154-L164 HydrophobicContact CZ2-CD2 4.32Å; W160-L164 HydrophobicContact CE3-CD2 4.32Å; W160-L164 HydrophobicContact CZ3-CD2 3.89Å; W160-L164 WeakPolarHBondContact O-CB 3.31Å; W160-L164 PolarHBondContact O-N 3.49Å; L161-L164 PolarHBondContact O-N 3.01Å; L164-Q166 PolarHBondContact O-N 3.22Å; L164-Q166 VanDerWaalsContact O-N 3.08Å; L164-W167 PolarHBondContact O-N 3.19Å; L164-L168 HydrophobicContact CG-CD1 4.24Å
165Q93.8Very high93.6Very high11 Ų1140 Ų405%0.05123%0.225CC..G310 helixtrans-57.3-22175.1-85.2-175.6-36.400113.6L161 E163 W167 R191 F193L161-Q165 VanDerWaalsContact O-CB 3.3Å; L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 WeakPolarHBondContact O-CG 3.38Å; L161-Q165 PolarHBondContact O-N 3.43Å; E163-Q165 VanDerWaalsContact C-N 3.28Å; E163-Q165 PolarHBondContact O-N 2.81Å; Q165-W167 PolarHBondContact O-N 3.48Å; Q165-R191 PolarHBondContact NE2-O 3Å; Q165-R191 PolarHBondContact O-NH2 3.06Å; Q165-F193 HydrophobicContact CG-CE1 3.98Å; Q165-F193 HydrophobicContact CG-CE2 4.34Å; Q165-F193 HydrophobicContact CG-CZ 3.6Å
166Q92.8Very high93.9Very high64 Ų6437.6 Ų37.630%0.29920%0.204SC..G310 helixtrans-63-29.5173.6-58.6-176.518.300112.2L135 E163 L164L135-Q166 HydrophobicContact CB-CB 4.3Å; L135-Q166 WeakPolarHBondContact CD2-O 3.46Å; E163-Q166 VanDerWaalsContact O-CB 3.25Å; E163-Q166 WeakPolarHBondContact O-CB 3.45Å; E163-Q166 WeakPolarHBondContact O-CG 3.38Å; E163-Q166 PolarHBondContact O-N 2.91Å; L164-Q166 PolarHBondContact O-N 3.22Å; L164-Q166 VanDerWaalsContact O-N 3.08Å
167W93.7Very high94.5Very high5 Ų536.4 Ų36.42%0.01920%0.196CC..G310 helixtrans-994.6-173.8-59.594.8000113.3V107 L110 R111 P133 L135 G141 L142 L164 Q165V107-W167 HydrophobicContact CB-CZ2 4.3Å; V107-W167 HydrophobicContact CG1-CD2 3.95Å; V107-W167 HydrophobicContact CG1-CE3 3.88Å; V107-W167 HydrophobicContact CG1-CH2 3.19Å; V107-W167 HydrophobicContact CG1-CZ2 3.26Å; V107-W167 HydrophobicContact CG1-CZ3 3.52Å; V107-W167 HydrophobicContact CG2-CD2 4.13Å; V107-W167 HydrophobicContact CG2-CG 4.43Å; V107-W167 HydrophobicContact CG2-CZ2 4.04Å; L110-W167 HydrophobicContact CD1-CB 3.9Å; L110-W167 HydrophobicContact CD1-CG 4.41Å; R111-W167 HydrophobicContact CG-CE3 3.97Å; R111-W167 HydrophobicContact CG-CH2 4.35Å; R111-W167 HydrophobicContact CG-CZ3 3.4Å; R111-W167 VanDerWaalsContact CG-CZ3 3.4Å; P133-W167 HydrophobicContact CG-CZ2 4.41Å; P133-W167 VanDerWaalsContact O-CZ2 3.27Å; P133-W167 WeakPolarHBondContact O-CZ2 3.37Å; P133-W167 PolarHBondContact O-NE1 3.36Å; L135-W167 HydrophobicContact CB-CH2 4.46Å; L135-W167 HydrophobicContact CB-CZ2 4.36Å; L135-W167 HydrophobicContact CD1-CD2 3.94Å; L135-W167 HydrophobicContact CD1-CE3 3.34Å; L135-W167 HydrophobicContact CD1-CH2 3.71Å; L135-W167 HydrophobicContact CD1-CZ2 4.25Å; L135-W167 HydrophobicContact CD1-CZ3 3.21Å; L135-W167 HydrophobicContact CG-CZ3 4.48Å; G141-W167 CarbonylContact C-O 3.6Å; G141-W167 WeakPolarHBondContact CA-O 3.39Å; L142-W167 PolarHBondContact N-O 3.15Å; L164-W167 PolarHBondContact O-N 3.19Å; Q165-W167 PolarHBondContact O-N 3.48Å
168L95.1Very high95Very high23 Ų2335.4 Ų35.412%0.1218%0.184CC..BIsolated β-bridgetrans-114.2142.1-177.8-60.3177.9000111.7L142 L144 L147 L164L142-L168 HydrophobicContact CB-CD2 4.48Å; L144-L168 HydrophobicContact CD1-CD2 3.87Å; L144-L168 HydrophobicContact CG-CD2 4.46Å; L147-L168 HydrophobicContact CD2-CD1 3.91Å; L164-L168 HydrophobicContact CG-CD1 4.24Å
169K94.5Very high95.4Very high90 Ų9031.7 Ų31.739%0.39117%0.174SC..  trans-73.4155.9166.9-71.8-167.9-170.1-84.90111.1G141 L142 A143 G171G141-K169 VanDerWaalsContact O-CE 3.25Å; G141-K169 WeakPolarHBondContact O-CE 3.19Å; G141-K169 WeakPolarHBondContact O-CG 3.29Å; L142-K169 PolarHBondContact O-N 3.02Å; A143-K169 HydrophobicContact CB-CD 3.74Å; A143-K169 HydrophobicContact CB-CG 4.43Å; K169-G171 PolarHBondContact O-N 3.03Å
170P93.7Very high95.3Very high93 Ų9331.6 Ų31.660%0.60417%0.174SC*.THydrogen-bonded Turntrans-69.7-2.3-176.828.3-37.1000115.3L172 P194P170-L172 VanDerWaalsContact C-N 3.28Å; P170-L172 PolarHBondContact O-N 3.33Å; P170-P194 HydrophobicContact CB-CG 3.84Å
171G95.6Very high94.9Very high39 Ų3939.3 Ų39.340%0.40221%0.21SC..THydrogen-bonded Turntrans-81.88.4-174.100000116L144 K169 K173L144-G171 CarbonylContact O-C 3.21Å; K169-G171 PolarHBondContact O-N 3.03Å; G171-K173 PolarHBondContact O-N 3.38Å
172L98.3Very high94.3Very high3 Ų340.7 Ų40.72%0.01622%0.22CC..  trans-63.3125.2-178.8-170.571.2000111.1L144 L147 P170 L175 F193 A195 L196L144-L172 HydrophobicContact CB-CD1 3.84Å; L144-L172 WeakPolarHBondContact O-CA 3.17Å; L144-L172 PolarHBondContact O-N 3.03Å; L147-L172 HydrophobicContact CB-CD1 3.84Å; L147-L172 HydrophobicContact CB-CD2 4.29Å; P170-L172 VanDerWaalsContact C-N 3.28Å; P170-L172 PolarHBondContact O-N 3.33Å; L172-L175 HydrophobicContact CD2-CB 4.25Å; L172-L175 HydrophobicContact CD2-CD1 4.45Å; L172-F193 HydrophobicContact CD2-CD1 4.14Å; L172-F193 HydrophobicContact CD2-CE1 3.85Å; L172-A195 CarbonylContact O-C 3.56Å; L172-L196 HydrophobicContact CD2-CD1 4.14Å; L172-L196 HydrophobicContact CG-CD1 4.12Å; L172-L196 VanDerWaalsContact O-CA 3.29Å; L172-L196 WeakPolarHBondContact O-CA 3.19Å; L172-L196 PolarHBondContact O-N 3.08Å; L172-L196 VanDerWaalsContact O-N 3.15Å
173K98.5Very high93.5Very high118 Ų11841.9 Ų41.951%0.51323%0.227SC..  trans-103.2-34.7-177.9-62.5-177.1-179.7179.20113.4S145 G171 A195 T197 S198S145-K173 WeakPolarHBondContact O-CA 3.23Å; S145-K173 WeakPolarHBondContact O-CB 3.25Å; S145-K173 PolarHBondContact O-N 3.49Å; G171-K173 PolarHBondContact O-N 3.38Å; K173-A195 WeakPolarHBondContact CA-O 3.49Å; K173-T197 PolarHBondContact O-N 3.38Å; K173-T197 PolarHBondContact O-OG1 2.04Å; K173-S198 PolarHBondContact O-N 3.24Å
174V98.8Very high93Very high36 Ų3641.1 Ų41.122%0.21823%0.226CC..EExtended strand (participates in β ladder)trans-125.7129-177.2-1770000109.5S145 S146 L147 S198S145-V174 PolarHBondContact O-N 2.86Å; S146-V174 WeakPolarHBondContact CA-O 3.31Å; L147-V174 PolarHBondContact N-O 2.86Å; V174-S198 WeakPolarHBondContact CA-O 3.2Å
175L98.6Very high92.7Very high1 Ų141.7 Ų41.71%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-128.3123.1172.8178.458.8000108.4L147 L172 I177 F193 L196 S198 L199 D200L147-L175 HydrophobicContact CB-CD1 4.18Å; L147-L175 HydrophobicContact CD2-CD1 4.02Å; L147-L175 HydrophobicContact CG-CD1 4.13Å; L147-L175 CarbonylContact O-C 3.6Å; L147-L175 WeakPolarHBondContact O-CA 3.32Å; L172-L175 HydrophobicContact CD2-CB 4.25Å; L172-L175 HydrophobicContact CD2-CD1 4.45Å; L175-I177 HydrophobicContact CD1-CD1 4.33Å; L175-I177 HydrophobicContact CD1-CG1 4.09Å; L175-I177 HydrophobicContact CD2-CD1 4.09Å; L175-I177 HydrophobicContact CG-CD1 4.12Å; L175-I177 HydrophobicContact CG-CG1 4.09Å; L175-F193 HydrophobicContact CD2-CE2 4.5Å; L175-F193 HydrophobicContact CD2-CZ 4.23Å; L175-L196 HydrophobicContact CB-CD1 3.61Å; L175-L196 HydrophobicContact CB-CD2 4.23Å; L175-S198 PolarHBondContact N-O 3.15Å; L175-L199 HydrophobicContact CB-CD1 4.06Å; L175-L199 HydrophobicContact CD2-CD1 4.01Å; L175-L199 HydrophobicContact CG-CD1 4.02Å; L175-L199 WeakPolarHBondContact O-CA 3.46Å; L175-D200 PolarHBondContact O-N 3.25Å
176S98.5Very high92.6Very high16 Ų1643.2 Ų43.211%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-120.6127.7176.4-168.70000109.1L147 R148 L149 D200L147-S176 PolarHBondContact O-N 3.29Å; R148-S176 CarbonylContact C-O 3.47Å; R148-S176 WeakPolarHBondContact CA-O 3.41Å; L149-S176 PolarHBondContact N-O 3.09Å; S176-D200 CarbonylContact C-O 3.13Å; S176-D200 VanDerWaalsContact CA-O 3.3Å; S176-D200 WeakPolarHBondContact CA-O 2.97Å
177I97.9Very high92.6Very high6 Ų641.4 Ų41.43%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-133.1110.5179.5-53.5172.5000107.6L149 W160 L175 A180 F185 D200 L201 N204L149-I177 HydrophobicContact CD1-CG1 4.45Å; L149-I177 CarbonylContact O-C 3.26Å; L149-I177 WeakPolarHBondContact O-CA 3.26Å; W160-I177 HydrophobicContact CH2-CD1 3.89Å; W160-I177 HydrophobicContact CH2-CG1 4.4Å; W160-I177 HydrophobicContact CZ2-CD1 4.04Å; W160-I177 HydrophobicContact CZ2-CG2 4.39Å; L175-I177 HydrophobicContact CD1-CD1 4.33Å; L175-I177 HydrophobicContact CD1-CG1 4.09Å; L175-I177 HydrophobicContact CD2-CD1 4.09Å; L175-I177 HydrophobicContact CG-CD1 4.12Å; L175-I177 HydrophobicContact CG-CG1 4.09Å; I177-A180 HydrophobicContact CG2-CB 3.88Å; I177-F185 HydrophobicContact CD1-CE1 4.47Å; I177-F185 HydrophobicContact CD1-CZ 3.78Å; I177-D200 PolarHBondContact N-O 3.49Å; I177-L201 HydrophobicContact CB-CD2 4.1Å; I177-L201 HydrophobicContact CD1-CD2 4.2Å; I177-L201 HydrophobicContact CG1-CD2 4.49Å; I177-L201 WeakPolarHBondContact O-CA 3.39Å; I177-N204 PolarHBondContact O-ND2 2.8Å
178A97.9Very high92.5Very high10 Ų1050 Ų508%0.08328%0.275CS..EExtended strand (participates in β ladder)trans-121.5145.9-18000000110.7L149 R150 N151 A180 S202 D203L149-A178 PolarHBondContact O-N 2.88Å; R150-A178 WeakPolarHBondContact CA-O 3.27Å; R150-A178 HydrophobicContact CB-CB 4.39Å; R150-A178 HydrophobicContact CG-CB 4.16Å; N151-A178 PolarHBondContact N-O 3.32Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 2.62Å; A178-S202 WeakPolarHBondContact CA-O 3.31Å; A178-S202 WeakPolarHBondContact CB-O 3.29Å; A178-D203 HydrophobicContact CB-CB 4.19Å
179Q95.8Very high92.3Very high73 Ų7354.3 Ų54.334%0.34129%0.294SS..SBendtrans50.943.9178.1-60.4173.939.200113R150 N151 D203 N204R150-Q179 VanDerWaalsContact CZ-NE2 3.33Å; N151-Q179 HydrophobicContact CB-CB 4.11Å; Q179-D203 WeakPolarHBondContact CA-O 3.17Å; Q179-D203 HydrophobicContact CG-CB 4.4Å; Q179-D203 WeakPolarHBondContact CG-O 3.44Å; Q179-D203 PolarHBondContact N-O 3.49Å; Q179-N204 PolarHBondContact N-OD1 2.92Å
180A90.8Very high92.3Very high20 Ų2050.2 Ų50.217%0.16528%0.277CS..  trans-73.7132.6178.100000110.6I177 A178 S182 P183 N204I177-A180 HydrophobicContact CG2-CB 3.88Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 2.62Å; A180-S182 PolarHBondContact O-N 2.67Å; A180-P183 HydrophobicContact CB-CB 4.39Å; A180-N204 PolarHBondContact N-OD1 3.04Å
181H83.9Confident92.3Very high170 Ų17052.3 Ų52.379%0.78727%0.273SS*.SBendtrans-64-29.7174.6-169.7-74.7000112.4
182S80.8Confident92.3Very high31 Ų3153 Ų5322%0.21728%0.275CS..  trans-138.499.6171.5-153.80000110.1A180 A184A180-S182 PolarHBondContact O-N 2.67Å; S182-A184 VanDerWaalsContact C-N 3.26Å; S182-A184 PolarHBondContact O-N 2.82Å
183P77.9Confident92.3Very high33 Ų3353.5 Ų53.521%0.21428%0.277CS..  trans-80.9-4.9-177.233.1-36.2000113.4A180 L207 A215A180-P183 HydrophobicContact CB-CB 4.39Å; P183-L207 HydrophobicContact CB-CD1 3.98Å; P183-L207 HydrophobicContact CG-CD1 4.18Å; P183-A215 WeakPolarHBondContact O-CB 3.3Å
184A82.1Confident92.2Very high16 Ų1651.1 Ų51.113%0.13227%0.274CS..  trans-91.2133.4175.900000111R158 S182 A214R158-A184 WeakPolarHBondContact CB-O 3.47Å; R158-A184 WeakPolarHBondContact CG-O 3.41Å; S182-A184 VanDerWaalsContact C-N 3.26Å; S182-A184 PolarHBondContact O-N 2.82Å; A184-A214 HydrophobicContact CB-CB 3.94Å
185F88.6Confident92.1Very high18 Ų1850.9 Ų50.98%0.07928%0.275CS..  trans-104.2151.7-176.9-51.5-53.8000112.6W160 L161 I177 C187 V190 A214 A215W160-F185 AromaticContact CE2-CE1 3.98Å; W160-F185 AromaticContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CE1 3.67Å; W160-F185 HydrophobicContact CZ2-CZ 4.38Å; W160-F185 AromaticContact NE1-CE1 3.95Å; L161-F185 HydrophobicContact CB-CD1 4.05Å; L161-F185 HydrophobicContact CB-CE1 4.3Å; L161-F185 HydrophobicContact CD2-CD1 3.91Å; L161-F185 HydrophobicContact CD2-CD2 3.92Å; L161-F185 HydrophobicContact CD2-CE1 3.94Å; L161-F185 HydrophobicContact CD2-CE2 3.94Å; L161-F185 HydrophobicContact CD2-CG 3.92Å; L161-F185 HydrophobicContact CD2-CZ 3.96Å; I177-F185 HydrophobicContact CD1-CE1 4.47Å; I177-F185 HydrophobicContact CD1-CZ 3.78Å; F185-C187 PolarHBondContact O-N 2.63Å; F185-V190 HydrophobicContact CB-CG2 4.21Å; F185-A214 PolarHBondContact N-O 2.98Å; F185-A215 VanDerWaalsContact CD2-O 3.22Å; F185-A215 WeakPolarHBondContact CD2-O 3.41Å; F185-A215 HydrophobicContact CE2-CB 4.19Å; F185-A215 WeakPolarHBondContact CE2-O 3.43Å
186S91.6Very high92.1Very high43 Ų4350.9 Ų50.930%0.30128%0.275SS..  trans-74.977.3165.2-65.70000110.2R158 E188 Q189 V190R158-S186 PolarHBondContact O-N 2.85Å; S186-E188 PolarHBondContact O-N 3Å; S186-Q189 PolarHBondContact O-N 2.92Å; S186-V190 PolarHBondContact O-N 3.38Å
187C91.5Very high92.1Very high26 Ų2652 Ų5218%0.17628%0.282CS..THydrogen-bonded Turntrans-57.7-23.9-169.1-68.90000116.1F185 Q189 V190 C217 K220F185-C187 PolarHBondContact O-N 2.63Å; C187-Q189 VanDerWaalsContact C-N 3.26Å; C187-Q189 PolarHBondContact O-N 3.33Å; C187-V190 PolarHBondContact O-N 2.94Å; C187-C217 WeakPolarHBondContact CA-SG 3.36Å; C187-C217 HydrophobicContact CB-CB 3.57Å; C187-C217 WeakPolarHBondContact CB-SG 3.33Å; C187-C217 WeakPolarHBondContact SG-CA 3.4Å; C187-C217 WeakPolarHBondContact SG-CB 3.45Å; C187-C217 CovalentContact SG-SG 2.05Å; C187-C217 PolarHBondContact SG-SG 3.14Å; C187-K220 WeakPolarHBondContact O-CE 3.48Å
188E91.8Very high92.1Very high186 Ų18653.1 Ų53.187%0.86929%0.29SS*.THydrogen-bonded Turntrans-61.6-35.1174-60.6-56.2153.100112.4S186S186-E188 PolarHBondContact O-N 3Å
189Q91.9Very high92.1Very high113 Ų11352.9 Ų52.953%0.52829%0.287SS..THydrogen-bonded Turntrans-89-23.3-177.5-61.1173.5-1.200112.3S159 A162 S186 C187 R191S159-Q189 VanDerWaalsContact CB-OE1 3.3Å; A162-Q189 HydrophobicContact CB-CB 3.59Å; S186-Q189 PolarHBondContact O-N 2.92Å; C187-Q189 VanDerWaalsContact C-N 3.26Å; C187-Q189 PolarHBondContact O-N 3.33Å; Q189-R191 PolarHBondContact O-N 3.08Å
190V94.1Very high92.3Very high3 Ų350.4 Ų50.42%0.01828%0.276CS..PPolyproline II helixtrans-69127.9-179.3175.60000109.6L161 A162 F185 S186 C187 F193 K220L161-V190 HydrophobicContact CD2-CG1 4.44Å; L161-V190 HydrophobicContact CD2-CG2 4.35Å; A162-V190 HydrophobicContact CB-CG2 4.29Å; F185-V190 HydrophobicContact CB-CG2 4.21Å; S186-V190 PolarHBondContact O-N 3.38Å; C187-V190 PolarHBondContact O-N 2.94Å; V190-F193 HydrophobicContact CG1-CE2 4.37Å; V190-K220 HydrophobicContact CG1-CG 4.35Å; V190-K220 WeakPolarHBondContact O-CD 3.33Å; V190-K220 WeakPolarHBondContact O-CE 3.45Å; V190-K220 PolarHBondContact O-NZ 2.74Å
191R94.3Very high92.6Very high137 Ų13749.7 Ų49.752%0.51727%0.27SS..PPolyproline II helixtrans-84.4158.2173.3-68.3-176.8-70.7176.15.8110.3Q165 Q189Q165-R191 PolarHBondContact NE2-O 3Å; Q165-R191 PolarHBondContact O-NH2 3.06Å; Q189-R191 PolarHBondContact O-N 3.08Å
192A95.4Very high93.3Very high54 Ų5441.7 Ų41.745%0.44623%0.233SC..PPolyproline II helixtrans-65.6143.7178.600000111P194 K220A192-P194 VanDerWaalsContact O-CD 3.24Å; A192-P194 WeakPolarHBondContact O-CD 3.32Å; A192-K220 CarbonylContact C-O 3.55Å; A192-K220 WeakPolarHBondContact CA-O 3.25Å
193F96.8Very high94.1Very high13 Ų1343.2 Ų43.26%0.05724%0.238CC..  trans-100.892169.3-68.6-86.5000109.4L161 Q165 L172 L175 V190 A195 L196 K220 F221L161-F193 HydrophobicContact CD1-CZ 4.1Å; L161-F193 HydrophobicContact CD2-CE2 4.4Å; Q165-F193 HydrophobicContact CG-CE1 3.98Å; Q165-F193 HydrophobicContact CG-CE2 4.34Å; Q165-F193 HydrophobicContact CG-CZ 3.6Å; L172-F193 HydrophobicContact CD2-CD1 4.14Å; L172-F193 HydrophobicContact CD2-CE1 3.85Å; L175-F193 HydrophobicContact CD2-CE2 4.5Å; L175-F193 HydrophobicContact CD2-CZ 4.23Å; V190-F193 HydrophobicContact CG1-CE2 4.37Å; F193-A195 VanDerWaalsContact C-N 3.32Å; F193-A195 PolarHBondContact O-N 3.04Å; F193-L196 HydrophobicContact CB-CB 3.64Å; F193-L196 HydrophobicContact CB-CD2 4.35Å; F193-L196 HydrophobicContact CG-CB 4.49Å; F193-L196 PolarHBondContact O-N 3.17Å; F193-K220 PolarHBondContact N-O 2.9Å; F193-F221 HydrophobicContact CB-CD1 4.37Å; F193-F221 AromaticContact CD2-CD1 3.94Å; F193-F221 HydrophobicContact CD2-CD1 3.94Å; F193-F221 AromaticContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CE1 3.47Å; F193-F221 VanDerWaalsContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CZ 4.4Å; F193-F221 AromaticContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CG-CE1 4.41Å
194P96.3Very high95Very high69 Ų6942 Ų4245%0.44823%0.23SC..THydrogen-bonded Turntrans-70.5-28-168.928.5-35.9000113.4P170 A192 A223P170-P194 HydrophobicContact CB-CG 3.84Å; A192-P194 VanDerWaalsContact O-CD 3.24Å; A192-P194 WeakPolarHBondContact O-CD 3.32Å; P194-A223 VanDerWaalsContact O-CB 3.27Å; P194-A223 WeakPolarHBondContact O-CB 3.32Å
195A97.6Very high95.6Very high31 Ų3145.3 Ų45.326%0.25625%0.251SS..THydrogen-bonded Turntrans-102.92.2-176.700000113.8L172 K173 F193 T197L172-A195 CarbonylContact O-C 3.56Å; K173-A195 WeakPolarHBondContact CA-O 3.49Å; F193-A195 VanDerWaalsContact C-N 3.32Å; F193-A195 PolarHBondContact O-N 3.04Å; A195-T197 PolarHBondContact O-N 3.15Å
196L98.4Very high95.7Very high0 Ų048.1 Ų48.10%029%0.285CS..  trans-74.5112.1-174.4-167.381.7000110.4L172 L175 F193 L199 F221 A223 L224L172-L196 HydrophobicContact CD2-CD1 4.14Å; L172-L196 HydrophobicContact CG-CD1 4.12Å; L172-L196 VanDerWaalsContact O-CA 3.29Å; L172-L196 WeakPolarHBondContact O-CA 3.19Å; L172-L196 PolarHBondContact O-N 3.08Å; L172-L196 VanDerWaalsContact O-N 3.15Å; L175-L196 HydrophobicContact CB-CD1 3.61Å; L175-L196 HydrophobicContact CB-CD2 4.23Å; F193-L196 HydrophobicContact CB-CB 3.64Å; F193-L196 HydrophobicContact CB-CD2 4.35Å; F193-L196 HydrophobicContact CG-CB 4.49Å; F193-L196 PolarHBondContact O-N 3.17Å; L196-L199 HydrophobicContact CD2-CB 4.32Å; L196-L199 HydrophobicContact CD2-CD1 4.46Å; L196-F221 HydrophobicContact CD2-CD1 3.57Å; L196-F221 HydrophobicContact CD2-CE1 3.88Å; L196-A223 CarbonylContact O-C 3.32Å; L196-L224 HydrophobicContact CD2-CD1 4.49Å; L196-L224 WeakPolarHBondContact O-CA 3.4Å; L196-L224 PolarHBondContact O-N 3.33Å
197T98.4Very high95.9Very high41 Ų4146.4 Ų46.425%0.25227%0.272SS..  trans-103.9-24.6-177.958.80000112.4K173 A195 Q225 N226K173-T197 PolarHBondContact O-N 3.38Å; K173-T197 PolarHBondContact O-OG1 2.04Å; A195-T197 PolarHBondContact O-N 3.15Å; T197-Q225 WeakPolarHBondContact O-CA 3.49Å; T197-Q225 PolarHBondContact O-N 3.31Å; T197-N226 PolarHBondContact O-N 2.79Å
198S98.7Very high96Very high29 Ų2946 Ų4620%0.20327%0.272CS..EExtended strand (participates in β ladder)trans-129.3125.6179-165.80000110.8K173 V174 L175 N226K173-S198 PolarHBondContact O-N 3.24Å; V174-S198 WeakPolarHBondContact CA-O 3.2Å; L175-S198 PolarHBondContact N-O 3.15Å; S198-N226 WeakPolarHBondContact CA-O 3.01Å
199L98.6Very high96.1Very high4 Ų438.7 Ų38.72%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-121.9120.2172.5179.860.3000108.4L175 L196 L201 L216 F221 L224 N226 L227 A228L175-L199 HydrophobicContact CB-CD1 4.06Å; L175-L199 HydrophobicContact CD2-CD1 4.01Å; L175-L199 HydrophobicContact CG-CD1 4.02Å; L175-L199 WeakPolarHBondContact O-CA 3.46Å; L196-L199 HydrophobicContact CD2-CB 4.32Å; L196-L199 HydrophobicContact CD2-CD1 4.46Å; L199-L201 HydrophobicContact CD1-CD2 4.05Å; L199-L201 HydrophobicContact CD1-CG 4.3Å; L199-L201 HydrophobicContact CD2-CD1 4.22Å; L199-L201 HydrophobicContact CD2-CG 4.38Å; L199-L201 HydrophobicContact CG-CD1 4.43Å; L199-L201 HydrophobicContact CG-CD2 4.35Å; L199-L201 HydrophobicContact CG-CG 4.07Å; L199-L216 HydrophobicContact CD2-CD2 3.65Å; L199-F221 HydrophobicContact CD2-CZ 4.5Å; L199-L224 HydrophobicContact CB-CD1 3.52Å; L199-L224 HydrophobicContact CB-CD2 4.3Å; L199-N226 PolarHBondContact N-O 2.95Å; L199-L227 HydrophobicContact CB-CD1 4.16Å; L199-L227 HydrophobicContact CD2-CD1 4.21Å; L199-L227 HydrophobicContact CG-CD1 4.19Å; L199-L227 WeakPolarHBondContact O-CA 3.47Å; L199-A228 PolarHBondContact O-N 3Å
200D98.7Very high95.9Very high21 Ų2144.1 Ų44.111%0.11225%0.254CS..EExtended strand (participates in β ladder)trans-114.3112.8176.9-166.1-19.6000108.9L175 S176 I177 S202 A228 R230L175-D200 PolarHBondContact O-N 3.25Å; S176-D200 CarbonylContact C-O 3.13Å; S176-D200 VanDerWaalsContact CA-O 3.3Å; S176-D200 WeakPolarHBondContact CA-O 2.97Å; I177-D200 PolarHBondContact N-O 3.49Å; D200-S202 WeakPolarHBondContact OD1-CB 3.4Å; D200-S202 PolarHBondContact OD1-N 2.75Å; D200-S202 PolarHBondContact OD1-OG 2.55Å; D200-A228 HydrophobicContact CB-CB 4.13Å; D200-A228 WeakPolarHBondContact OD1-CB 3.49Å; D200-R230 IonicContact OD1-NH2 3.74Å; D200-R230 IonicContact OD2-CZ 2.81Å; D200-R230 IonicContact OD2-NH1 2.74Å; D200-R230 IonicContact OD2-NH2 3.15Å; D200-R230 PolarHBondContact OD2-NH2 2.94Å
201L98.1Very high95.9Very high6 Ų645 Ų453%0.03126%0.263CS..  trans-110.522.2175.3-58.3171.6000110.6I177 L199 N204 L207 L212 A215 A228 L229 T232I177-L201 HydrophobicContact CB-CD2 4.1Å; I177-L201 HydrophobicContact CD1-CD2 4.2Å; I177-L201 HydrophobicContact CG1-CD2 4.49Å; I177-L201 WeakPolarHBondContact O-CA 3.39Å; L199-L201 HydrophobicContact CD1-CD2 4.05Å; L199-L201 HydrophobicContact CD1-CG 4.3Å; L199-L201 HydrophobicContact CD2-CD1 4.22Å; L199-L201 HydrophobicContact CD2-CG 4.38Å; L199-L201 HydrophobicContact CG-CD1 4.43Å; L199-L201 HydrophobicContact CG-CD2 4.35Å; L199-L201 HydrophobicContact CG-CG 4.07Å; L201-N204 PolarHBondContact O-ND2 3.12Å; L201-L207 HydrophobicContact CB-CD2 4.23Å; L201-L207 HydrophobicContact CD1-CD2 4.29Å; L201-L212 HydrophobicContact CD1-CD1 4.26Å; L201-A215 HydrophobicContact CD1-CB 4.17Å; L201-A228 PolarHBondContact N-O 3.03Å; L201-L229 HydrophobicContact CB-CD2 3.98Å; L201-L229 HydrophobicContact CD1-CD2 4.1Å; L201-L229 HydrophobicContact CG-CD2 4.48Å; L201-T232 WeakPolarHBondContact O-CG2 3.34Å
202S98.4Very high95.9Very high2 Ų238.5 Ų38.51%0.01424%0.238CC..  trans-61.5157.6-179.2-56.60000112.2A178 D200 N204 R230A178-S202 WeakPolarHBondContact CA-O 3.31Å; A178-S202 WeakPolarHBondContact CB-O 3.29Å; D200-S202 WeakPolarHBondContact OD1-CB 3.4Å; D200-S202 PolarHBondContact OD1-N 2.75Å; D200-S202 PolarHBondContact OD1-OG 2.55Å; S202-N204 VanDerWaalsContact C-N 3.33Å; S202-N204 PolarHBondContact O-N 3.47Å; S202-N204 PolarHBondContact O-ND2 3.09Å; S202-R230 CarbonylContact C-O 3.56Å; S202-R230 WeakPolarHBondContact CA-O 3.19Å; S202-R230 WeakPolarHBondContact CB-O 3.37Å; S202-R230 WeakPolarHBondContact OG-CB 3.27Å; S202-R230 PolarHBondContact OG-N 2.88Å; S202-R230 VanDerWaalsContact OG-N 3.09Å; S202-R230 PolarHBondContact OG-NE 2.92Å; S202-R230 PolarHBondContact OG-NH2 2.93Å; S202-R230 VanDerWaalsContact OG-NH2 3.12Å
203D97.7Very high95.7Very high62 Ų6239.3 Ų39.333%0.33224%0.235SC..SBendtrans60.640179.8-57.7-47.9000113.6A178 Q179 R230 N231A178-D203 HydrophobicContact CB-CB 4.19Å; Q179-D203 WeakPolarHBondContact CA-O 3.17Å; Q179-D203 HydrophobicContact CG-CB 4.4Å; Q179-D203 WeakPolarHBondContact CG-O 3.44Å; Q179-D203 PolarHBondContact N-O 3.49Å; D203-R230 PolarHBondContact N-O 2.8Å; D203-N231 PolarHBondContact OD1-ND2 2.88Å
204N96.9Very high95.4Very high7 Ų740.5 Ų40.54%0.03725%0.247CC..  trans-120.873.4168.7-66.5-75.6000109.3I177 Q179 A180 L201 S202 G206 L207 N231 T232I177-N204 PolarHBondContact O-ND2 2.8Å; Q179-N204 PolarHBondContact N-OD1 2.92Å; A180-N204 PolarHBondContact N-OD1 3.04Å; L201-N204 PolarHBondContact O-ND2 3.12Å; S202-N204 VanDerWaalsContact C-N 3.33Å; S202-N204 PolarHBondContact O-N 3.47Å; S202-N204 PolarHBondContact O-ND2 3.09Å; N204-G206 PolarHBondContact O-N 3.43Å; N204-L207 HydrophobicContact CB-CB 4.09Å; N204-L207 VanDerWaalsContact O-CB 3.23Å; N204-L207 WeakPolarHBondContact O-CB 3.42Å; N204-L207 PolarHBondContact O-N 3.27Å; N204-N231 CarbonylContact C-O 3.43Å; N204-N231 PolarHBondContact N-O 2.81Å; N204-T232 HydrophobicContact CB-CG2 4.46Å; N204-T232 CarbonylContact O-C 3.53Å; N204-T232 VanDerWaalsContact O-CA 3.27Å; N204-T232 WeakPolarHBondContact O-CA 3.42Å
205P94.3Very high95.3Very high87 Ų8737.3 Ų37.357%0.56523%0.226SC*.THydrogen-bonded Turntrans-61-22.3-169.422.9-34.5000114.1
206G91.4Very high95.2Very high77 Ų7735.8 Ų35.879%0.79421%0.214SC*.THydrogen-bonded Turntrans-87.84175.600000115.5N204N204-G206 PolarHBondContact O-N 3.43Å
207L95Very high94.9Very high7 Ų735.8 Ų35.84%0.03721%0.214CC..  trans-68.1-58.5-177.617864.2000111.2P183 L201 N204 G211 L212 A215 L229 T232 M234P183-L207 HydrophobicContact CB-CD1 3.98Å; P183-L207 HydrophobicContact CG-CD1 4.18Å; L201-L207 HydrophobicContact CB-CD2 4.23Å; L201-L207 HydrophobicContact CD1-CD2 4.29Å; N204-L207 HydrophobicContact CB-CB 4.09Å; N204-L207 VanDerWaalsContact O-CB 3.23Å; N204-L207 WeakPolarHBondContact O-CB 3.42Å; N204-L207 PolarHBondContact O-N 3.27Å; L207-G211 VanDerWaalsContact CD1-C 3.42Å; L207-G211 WeakPolarHBondContact O-CA 3.4Å; L207-G211 PolarHBondContact O-N 2.91Å; L207-G211 VanDerWaalsContact O-N 3.14Å; L207-L212 HydrophobicContact CD2-CD1 4.24Å; L207-A215 HydrophobicContact CD1-CB 4.02Å; L207-L229 HydrophobicContact CD2-CD2 4.45Å; L207-T232 HydrophobicContact CD2-CG2 4.14Å; L207-M234 HydrophobicContact CD2-CE 3.91Å; L207-M234 HydrophobicContact CG-CE 4.03Å
208G94Very high94.6Very high17 Ų1736.8 Ų36.818%0.17522%0.221CC..Hα-helixtrans56.9178.8-177.900000114.7R210 G211 L212 T232 M234G208-R210 VanDerWaalsContact C-N 3.34Å; G208-R210 PolarHBondContact O-N 3.23Å; G208-G211 PolarHBondContact O-N 3.46Å; G208-L212 WeakPolarHBondContact O-CB 3.05Å; G208-L212 PolarHBondContact O-N 3.22Å; G208-T232 PolarHBondContact N-O 2.82Å; G208-M234 WeakPolarHBondContact O-CE 3.39Å
209E92.3Very high94.1Very high32 Ų3243 Ų4315%0.1525%0.246CC..Hα-helixtrans-66.2-34.9-175.1-61.7172.317500112.5M234 E235 T236 G239 N266E209-M234 HydrophobicContact CG-SD 3.98Å; E209-E235 PolarHBondContact OE1-N 2.85Å; E209-T236 PolarHBondContact OE1-N 2.95Å; E209-T236 PolarHBondContact OE1-OG1 2.95Å; E209-T236 VanDerWaalsContact OE1-OG1 3.08Å; E209-G239 WeakPolarHBondContact OE2-CA 3.45Å; E209-N266 PolarHBondContact OE2-ND2 3.18Å
210R89.6Confident93.9Very high228 Ų22845.3 Ų45.386%0.8626%0.256SS*.Hα-helixtrans-73.9-42.6177.7-66.8-175.1-177.3-167.61.3112.4G208 L212 I213G208-R210 VanDerWaalsContact C-N 3.34Å; G208-R210 PolarHBondContact O-N 3.23Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.25Å; R210-I213 PolarHBondContact O-N 2.95Å
211G92.5Very high93.8Very high21 Ų2144.9 Ų44.922%0.21625%0.253CS..Hα-helixtrans-67.6-30.3176.900000111.6L207 G208 I213 A214 A215L207-G211 VanDerWaalsContact CD1-C 3.42Å; L207-G211 WeakPolarHBondContact O-CA 3.4Å; L207-G211 PolarHBondContact O-N 2.91Å; L207-G211 VanDerWaalsContact O-N 3.14Å; G208-G211 PolarHBondContact O-N 3.46Å; G211-I213 VanDerWaalsContact C-N 3.28Å; G211-I213 PolarHBondContact O-N 2.84Å; G211-A214 CarbonylContact O-C 3.54Å; G211-A214 WeakPolarHBondContact O-CA 3.13Å; G211-A214 PolarHBondContact O-N 2.79Å; G211-A215 PolarHBondContact O-N 2.84Å
212L94.8Very high93.6Very high0 Ų049.1 Ų49.10%028%0.281CS..Hα-helixtrans-56.9-40.5173.7-175.362.4000112.6L201 L207 G208 R210 A214 A215 L216 L229 M234 V240 A243L201-L212 HydrophobicContact CD1-CD1 4.26Å; L207-L212 HydrophobicContact CD2-CD1 4.24Å; G208-L212 WeakPolarHBondContact O-CB 3.05Å; G208-L212 PolarHBondContact O-N 3.22Å; R210-L212 VanDerWaalsContact C-N 3.26Å; R210-L212 PolarHBondContact O-N 3.25Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.1Å; L212-A215 PolarHBondContact O-N 3.4Å; L212-L216 HydrophobicContact CD1-CD1 3.73Å; L212-L216 HydrophobicContact CD1-CG 3.86Å; L212-L216 HydrophobicContact CD2-CD1 4.45Å; L212-L216 HydrophobicContact CG-CD1 3.84Å; L212-L216 HydrophobicContact CG-CG 4.27Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 3.01Å; L212-L229 HydrophobicContact CD1-CD1 4.02Å; L212-L229 HydrophobicContact CD1-CD2 3.68Å; L212-L229 HydrophobicContact CD2-CD1 3.74Å; L212-M234 HydrophobicContact CB-CE 4.14Å; L212-M234 HydrophobicContact CD2-CE 4.26Å; L212-M234 HydrophobicContact CD2-SD 4.29Å; L212-V240 HydrophobicContact CD2-CG1 4.22Å; L212-A243 HydrophobicContact CB-CB 4.45Å; L212-A243 HydrophobicContact CD2-CB 3.97Å; L212-A243 HydrophobicContact CG-CB 4.4Å
213I91.9Very high93.5Very high72 Ų7250.6 Ų50.637%0.36929%0.294SS..Hα-helixtrans-61.9-39.3176.2-58.5170.9000110.6R210 G211 A243 A246R210-I213 PolarHBondContact O-N 2.95Å; G211-I213 VanDerWaalsContact C-N 3.28Å; G211-I213 PolarHBondContact O-N 2.84Å; I213-A243 HydrophobicContact CD1-CB 4.23Å; I213-A243 HydrophobicContact CG1-CB 3.66Å; I213-A246 HydrophobicContact CD1-CB 4.27Å; I213-A246 HydrophobicContact CG1-CB 4.43Å; I213-A246 HydrophobicContact CG2-CB 4.42Å
214A90.9Very high93.5Very high38 Ų3848.1 Ų48.131%0.31428%0.28SS..Hα-helixtrans-76.9-22.7178.500000113.7A184 F185 G211 L212A184-A214 HydrophobicContact CB-CB 3.94Å; F185-A214 PolarHBondContact N-O 2.98Å; G211-A214 CarbonylContact O-C 3.54Å; G211-A214 WeakPolarHBondContact O-CA 3.13Å; G211-A214 PolarHBondContact O-N 2.79Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.1Å
215A94.3Very high93.5Very high1 Ų152 Ų521%0.00830%0.299CS..Hα-helixtrans-83.2-37.317500000111.7P183 F185 L201 L207 G211 L212 C217P183-A215 WeakPolarHBondContact O-CB 3.3Å; F185-A215 VanDerWaalsContact CD2-O 3.22Å; F185-A215 WeakPolarHBondContact CD2-O 3.41Å; F185-A215 HydrophobicContact CE2-CB 4.19Å; F185-A215 WeakPolarHBondContact CE2-O 3.43Å; L201-A215 HydrophobicContact CD1-CB 4.17Å; L207-A215 HydrophobicContact CD1-CB 4.02Å; G211-A215 PolarHBondContact O-N 2.84Å; L212-A215 PolarHBondContact O-N 3.4Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 2.77Å; A215-C217 VanDerWaalsContact O-N 3.07Å
216L94.9Very high93.8Very high0 Ų051 Ų510%029%0.288CS..SBendtrans-85.575.2176.9-63.8-180000110.5L199 L212 P218 L227 L244 A247 V249L199-L216 HydrophobicContact CD2-CD2 3.65Å; L212-L216 HydrophobicContact CD1-CD1 3.73Å; L212-L216 HydrophobicContact CD1-CG 3.86Å; L212-L216 HydrophobicContact CD2-CD1 4.45Å; L212-L216 HydrophobicContact CG-CD1 3.84Å; L212-L216 HydrophobicContact CG-CG 4.27Å; L212-L216 WeakPolarHBondContact O-CB 3.36Å; L212-L216 WeakPolarHBondContact O-CG 3.48Å; L212-L216 PolarHBondContact O-N 3.01Å; L216-P218 WeakPolarHBondContact O-CD 3.4Å; L216-L227 HydrophobicContact CD1-CD2 4.32Å; L216-L244 HydrophobicContact CD1-CD2 3.56Å; L216-A247 HydrophobicContact CB-CB 3.52Å; L216-A247 HydrophobicContact CD1-CB 4.16Å; L216-A247 WeakPolarHBondContact O-CB 3.44Å; L216-V249 HydrophobicContact CB-CG2 4.18Å; L216-V249 HydrophobicContact CD1-CB 4.37Å; L216-V249 HydrophobicContact CD1-CG2 4.26Å
217C92.9Very high94.1Very high0 Ų047.5 Ų47.50%025%0.251CS..  trans-51122.5177.3-64.30000112.5C187 A215 H219 K220 F221C187-C217 WeakPolarHBondContact CA-SG 3.36Å; C187-C217 HydrophobicContact CB-CB 3.57Å; C187-C217 WeakPolarHBondContact CB-SG 3.33Å; C187-C217 WeakPolarHBondContact SG-CA 3.4Å; C187-C217 WeakPolarHBondContact SG-CB 3.45Å; C187-C217 CovalentContact SG-SG 2.05Å; C187-C217 PolarHBondContact SG-SG 3.14Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 2.77Å; A215-C217 VanDerWaalsContact O-N 3.07Å; C217-H219 PolarHBondContact O-N 2.9Å; C217-K220 HydrophobicContact CB-CB 3.88Å; C217-K220 HydrophobicContact CB-CG 3.41Å; C217-K220 VanDerWaalsContact CB-CG 3.41Å; C217-K220 WeakPolarHBondContact O-CB 3.43Å; C217-K220 PolarHBondContact O-N 3.25Å; C217-K220 VanDerWaalsContact O-N 3.1Å; C217-F221 HydrophobicContact CB-CE2 4.21Å
218P91.2Very high94.3Very high61 Ų6147.7 Ų47.740%0.39625%0.254SS..THydrogen-bonded Turntrans-53.7132.1-176-29.435.3000112.7L216 K220L216-P218 WeakPolarHBondContact O-CD 3.4Å; P218-K220 PolarHBondContact O-N 2.82Å
219H88.5Confident94.5Very high160 Ų16046.9 Ų46.974%0.74125%0.246SC*.THydrogen-bonded Turntrans60.66.8179.3-48.7-64.4000116.2C217C217-H219 PolarHBondContact O-N 2.9Å
220K94.1Very high94.8Very high52 Ų5248.8 Ų48.823%0.22625%0.251CS..SBendtrans-85.8-11.4179.7-54.8-58.6178.4161.30113.8C187 V190 A192 F193 C217 P218 P222C187-K220 WeakPolarHBondContact O-CE 3.48Å; V190-K220 HydrophobicContact CG1-CG 4.35Å; V190-K220 WeakPolarHBondContact O-CD 3.33Å; V190-K220 WeakPolarHBondContact O-CE 3.45Å; V190-K220 PolarHBondContact O-NZ 2.74Å; A192-K220 CarbonylContact C-O 3.55Å; A192-K220 WeakPolarHBondContact CA-O 3.25Å; F193-K220 PolarHBondContact N-O 2.9Å; C217-K220 HydrophobicContact CB-CB 3.88Å; C217-K220 HydrophobicContact CB-CG 3.41Å; C217-K220 VanDerWaalsContact CB-CG 3.41Å; C217-K220 WeakPolarHBondContact O-CB 3.43Å; C217-K220 PolarHBondContact O-N 3.25Å; C217-K220 VanDerWaalsContact O-N 3.1Å; P218-K220 PolarHBondContact O-N 2.82Å; K220-P222 VanDerWaalsContact C-CD 3.43Å; K220-P222 WeakPolarHBondContact O-CD 3.24Å
221F95.7Very high95.2Very high12 Ų1241 Ų415%0.05323%0.227CC..  trans-125.361.4-177.2-50.8-73.2000112.5F193 L196 L199 C217 A223 L224F193-F221 HydrophobicContact CB-CD1 4.37Å; F193-F221 AromaticContact CD2-CD1 3.94Å; F193-F221 HydrophobicContact CD2-CD1 3.94Å; F193-F221 AromaticContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CE1 3.47Å; F193-F221 VanDerWaalsContact CD2-CE1 3.47Å; F193-F221 HydrophobicContact CD2-CZ 4.4Å; F193-F221 AromaticContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CE2-CE1 3.87Å; F193-F221 HydrophobicContact CG-CE1 4.41Å; L196-F221 HydrophobicContact CD2-CD1 3.57Å; L196-F221 HydrophobicContact CD2-CE1 3.88Å; L199-F221 HydrophobicContact CD2-CZ 4.5Å; C217-F221 HydrophobicContact CB-CE2 4.21Å; F221-A223 VanDerWaalsContact C-N 3.31Å; F221-A223 PolarHBondContact O-N 2.87Å; F221-L224 HydrophobicContact CB-CB 4.19Å; F221-L224 PolarHBondContact O-N 3.43Å
222P94.6Very high95.4Very high95 Ų9540 Ų4062%0.61722%0.216SC*.THydrogen-bonded Turntrans-67.3-25.8-169.927.8-37000114.6K220K220-P222 VanDerWaalsContact C-CD 3.43Å; K220-P222 WeakPolarHBondContact O-CD 3.24Å
223A96.2Very high95.5Very high34 Ų3441.7 Ų41.728%0.28123%0.234SC..THydrogen-bonded Turntrans-102.812-175.900000113.6P194 L196 F221 Q225P194-A223 VanDerWaalsContact O-CB 3.27Å; P194-A223 WeakPolarHBondContact O-CB 3.32Å; L196-A223 CarbonylContact O-C 3.32Å; F221-A223 VanDerWaalsContact C-N 3.31Å; F221-A223 PolarHBondContact O-N 2.87Å; A223-Q225 PolarHBondContact O-N 3.3Å
224L97.9Very high95.7Very high9 Ų938.4 Ų38.45%0.04722%0.217CC..  trans-66.9125.8-171.8-168.370.1000111.7L196 L199 F221 L227 V249L196-L224 HydrophobicContact CD2-CD1 4.49Å; L196-L224 WeakPolarHBondContact O-CA 3.4Å; L196-L224 PolarHBondContact O-N 3.33Å; L199-L224 HydrophobicContact CB-CD1 3.52Å; L199-L224 HydrophobicContact CB-CD2 4.3Å; F221-L224 HydrophobicContact CB-CB 4.19Å; F221-L224 PolarHBondContact O-N 3.43Å; L224-L227 HydrophobicContact CD2-CB 4.4Å; L224-L227 HydrophobicContact CD2-CD1 4.46Å; L224-V249 HydrophobicContact CD2-CG1 3.55Å
225Q97.8Very high95.9Very high90 Ų9040.8 Ų40.842%0.42122%0.222SC..  trans-115.8-42.7179.9-64.8178.8300111.8T197 A223 P251 H252 S253T197-Q225 WeakPolarHBondContact O-CA 3.49Å; T197-Q225 PolarHBondContact O-N 3.31Å; A223-Q225 PolarHBondContact O-N 3.3Å; Q225-P251 CarbonylContact O-C 3.58Å; Q225-H252 WeakPolarHBondContact O-CA 3.46Å; Q225-H252 PolarHBondContact O-N 3.43Å; Q225-S253 PolarHBondContact O-N 3.33Å
226N98.6Very high95.8Very high66 Ų6641 Ų4135%0.35322%0.223SC..EExtended strand (participates in β ladder)trans-113.3123.4-177.1-56.1-56.3000109.3T197 S198 L199 S253T197-N226 PolarHBondContact O-N 2.79Å; S198-N226 WeakPolarHBondContact CA-O 3.01Å; L199-N226 PolarHBondContact N-O 2.95Å; N226-S253 WeakPolarHBondContact OD1-CB 3.45Å
227L98.7Very high95.8Very high3 Ų341 Ų412%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-122.7118.3175.2-179.959.2000109.4L199 L216 L224 L229 L244 P251 S253 L254 D255L199-L227 HydrophobicContact CB-CD1 4.16Å; L199-L227 HydrophobicContact CD2-CD1 4.21Å; L199-L227 HydrophobicContact CG-CD1 4.19Å; L199-L227 WeakPolarHBondContact O-CA 3.47Å; L216-L227 HydrophobicContact CD1-CD2 4.32Å; L224-L227 HydrophobicContact CD2-CB 4.4Å; L224-L227 HydrophobicContact CD2-CD1 4.46Å; L227-L229 HydrophobicContact CD1-CD2 3.99Å; L227-L229 HydrophobicContact CD1-CG 4.31Å; L227-L229 HydrophobicContact CD2-CD1 4.15Å; L227-L229 HydrophobicContact CD2-CG 4.4Å; L227-L229 HydrophobicContact CG-CD1 4.29Å; L227-L229 HydrophobicContact CG-CD2 4.24Å; L227-L229 HydrophobicContact CG-CG 4.02Å; L227-L244 HydrophobicContact CD2-CD2 3.48Å; L227-L244 VanDerWaalsContact CD2-CD2 3.48Å; L227-P251 HydrophobicContact CB-CB 4.01Å; L227-P251 HydrophobicContact CB-CG 4.3Å; L227-S253 PolarHBondContact N-O 2.87Å; L227-L254 HydrophobicContact CB-CD1 4.09Å; L227-L254 HydrophobicContact CD2-CD1 3.96Å; L227-L254 HydrophobicContact CG-CD1 3.99Å; L227-L254 WeakPolarHBondContact O-CA 3.32Å; L227-D255 PolarHBondContact O-N 3.29Å
228A98.7Very high95.8Very high11 Ų1142 Ų429%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-109126.6175.700000110.7L199 D200 L201 D255L199-A228 PolarHBondContact O-N 3Å; D200-A228 HydrophobicContact CB-CB 4.13Å; D200-A228 WeakPolarHBondContact OD1-CB 3.49Å; L201-A228 PolarHBondContact N-O 3.03Å; A228-D255 HydrophobicContact CB-CB 4.32Å
229L98.5Very high95.9Very high0 Ų039.2 Ų39.20%021%0.212CC..  trans-131.840.7-176.8-58.9176.8000110.1L201 L207 L212 L227 T232 V240 L254 D255 L256 N259L201-L229 HydrophobicContact CB-CD2 3.98Å; L201-L229 HydrophobicContact CD1-CD2 4.1Å; L201-L229 HydrophobicContact CG-CD2 4.48Å; L207-L229 HydrophobicContact CD2-CD2 4.45Å; L212-L229 HydrophobicContact CD1-CD1 4.02Å; L212-L229 HydrophobicContact CD1-CD2 3.68Å; L212-L229 HydrophobicContact CD2-CD1 3.74Å; L227-L229 HydrophobicContact CD1-CD2 3.99Å; L227-L229 HydrophobicContact CD1-CG 4.31Å; L227-L229 HydrophobicContact CD2-CD1 4.15Å; L227-L229 HydrophobicContact CD2-CG 4.4Å; L227-L229 HydrophobicContact CG-CD1 4.29Å; L227-L229 HydrophobicContact CG-CD2 4.24Å; L227-L229 HydrophobicContact CG-CG 4.02Å; L229-T232 HydrophobicContact CB-CG2 4.27Å; L229-T232 PolarHBondContact O-OG1 2.94Å; L229-V240 HydrophobicContact CD1-CG1 4.22Å; L229-L254 HydrophobicContact CD1-CD1 4.06Å; L229-L254 HydrophobicContact CG-CD1 4.49Å; L229-D255 CarbonylContact C-O 3.6Å; L229-D255 WeakPolarHBondContact CA-O 3.3Å; L229-D255 PolarHBondContact N-O 2.92Å; L229-L256 HydrophobicContact CB-CD2 3.93Å; L229-L256 HydrophobicContact CD1-CD2 3.88Å; L229-L256 HydrophobicContact CG-CD2 4.39Å; L229-N259 PolarHBondContact O-ND2 3.14Å
230R98.5Very high96.3Very high72 Ų7231.6 Ų31.627%0.27218%0.177SC..THydrogen-bonded Turntrans-70.4137.4-177.7-55.5180-71.9-75.3-9.9110.8D200 S202 D203 T232 D255 S257D200-R230 IonicContact OD1-NH2 3.74Å; D200-R230 IonicContact OD2-CZ 2.81Å; D200-R230 IonicContact OD2-NH1 2.74Å; D200-R230 IonicContact OD2-NH2 3.15Å; D200-R230 PolarHBondContact OD2-NH2 2.94Å; S202-R230 CarbonylContact C-O 3.56Å; S202-R230 WeakPolarHBondContact CA-O 3.19Å; S202-R230 WeakPolarHBondContact CB-O 3.37Å; S202-R230 WeakPolarHBondContact OG-CB 3.27Å; S202-R230 PolarHBondContact OG-N 2.88Å; S202-R230 VanDerWaalsContact OG-N 3.09Å; S202-R230 PolarHBondContact OG-NE 2.92Å; S202-R230 PolarHBondContact OG-NH2 2.93Å; S202-R230 VanDerWaalsContact OG-NH2 3.12Å; D203-R230 PolarHBondContact N-O 2.8Å; R230-T232 VanDerWaalsContact C-N 3.33Å; R230-T232 WeakPolarHBondContact O-CG2 3.44Å; R230-T232 PolarHBondContact O-N 2.82Å; R230-D255 WeakPolarHBondContact CD-OD2 3.16Å; R230-D255 VanDerWaalsContact CG-OD2 3.31Å; R230-D255 WeakPolarHBondContact CG-OD2 3.31Å; R230-D255 IonicContact CZ-OD2 3.88Å; R230-D255 IonicContact NE-OD2 3.16Å; R230-D255 IonicContact NH1-OD2 2.75Å; R230-D255 PolarHBondContact NH1-OD2 3.41Å; R230-S257 WeakPolarHBondContact CA-O 3.47Å; R230-S257 WeakPolarHBondContact CB-O 3.24Å; R230-S257 VanDerWaalsContact CD-OG 3.31Å; R230-S257 WeakPolarHBondContact CD-OG 3.31Å; R230-S257 VanDerWaalsContact CG-OG 3.29Å; R230-S257 WeakPolarHBondContact CG-OG 3.49Å
231N97.5Very high96.3Very high64 Ų6429.2 Ų29.234%0.34217%0.167SC..THydrogen-bonded Turntrans51.551177.8-177.434000112.6D203 N204 S257 H258D203-N231 PolarHBondContact OD1-ND2 2.88Å; N204-N231 CarbonylContact C-O 3.43Å; N204-N231 PolarHBondContact N-O 2.81Å; N231-S257 PolarHBondContact N-O 3.3Å; N231-H258 WeakPolarHBondContact CA-O 3.37Å; N231-H258 HydrophobicContact CB-CB 4.38Å
232T97.6Very high96.2Very high0 Ų029.5 Ų29.50%017%0.171CC..SBendtrans-114.99.1-177.654.20000113.9L201 N204 L207 G208 L229 R230 M234 N259L201-T232 WeakPolarHBondContact O-CG2 3.34Å; N204-T232 HydrophobicContact CB-CG2 4.46Å; N204-T232 CarbonylContact O-C 3.53Å; N204-T232 VanDerWaalsContact O-CA 3.27Å; N204-T232 WeakPolarHBondContact O-CA 3.42Å; L207-T232 HydrophobicContact CD2-CG2 4.14Å; G208-T232 PolarHBondContact N-O 2.82Å; L229-T232 HydrophobicContact CB-CG2 4.27Å; L229-T232 PolarHBondContact O-OG1 2.94Å; R230-T232 VanDerWaalsContact C-N 3.33Å; R230-T232 WeakPolarHBondContact O-CG2 3.44Å; R230-T232 PolarHBondContact O-N 2.82Å; T232-M234 VanDerWaalsContact C-N 3.29Å; T232-M234 PolarHBondContact O-N 2.87Å; T232-M234 VanDerWaalsContact OG1-CE 3.25Å; T232-M234 WeakPolarHBondContact OG1-CE 3.45Å; T232-M234 VanDerWaalsContact OG1-CG 3.29Å; T232-M234 WeakPolarHBondContact OG1-CG 3.42Å; T232-N259 PolarHBondContact N-OD1 2.87Å; T232-N259 PolarHBondContact OG1-OD1 3.47Å
233G95.9Very high96.1Very high36 Ų3625.1 Ų25.137%0.37114%0.143SC..  trans70.624.7-177.900000113.2N259G233-N259 PolarHBondContact N-OD1 3.09Å; G233-N259 VanDerWaalsContact N-OD1 3.09Å
234M96.3Very high96Very high2 Ų223.9 Ų23.91%0.0113%0.131CC..  trans-68.1138.2171.3-59.2-59.5146.300109.4L207 G208 E209 L212 T232 V240 N259 L261L207-M234 HydrophobicContact CD2-CE 3.91Å; L207-M234 HydrophobicContact CG-CE 4.03Å; G208-M234 WeakPolarHBondContact O-CE 3.39Å; E209-M234 HydrophobicContact CG-SD 3.98Å; L212-M234 HydrophobicContact CB-CE 4.14Å; L212-M234 HydrophobicContact CD2-CE 4.26Å; L212-M234 HydrophobicContact CD2-SD 4.29Å; T232-M234 VanDerWaalsContact C-N 3.29Å; T232-M234 PolarHBondContact O-N 2.87Å; T232-M234 VanDerWaalsContact OG1-CE 3.25Å; T232-M234 WeakPolarHBondContact OG1-CE 3.45Å; T232-M234 VanDerWaalsContact OG1-CG 3.29Å; T232-M234 WeakPolarHBondContact OG1-CG 3.42Å; M234-V240 HydrophobicContact CB-CG2 3.9Å; M234-V240 HydrophobicContact CG-CG2 3.83Å; M234-V240 HydrophobicContact SD-CG2 3.75Å; M234-N259 HydrophobicContact CB-CB 4.33Å; M234-N259 PolarHBondContact N-OD1 3.32Å; M234-N259 VanDerWaalsContact N-OD1 3.08Å; M234-L261 HydrophobicContact CB-CD2 4.21Å; M234-L261 WeakPolarHBondContact O-CD2 3.17Å
235E94.6Very high95.8Very high89 Ų8927.6 Ų27.642%0.41615%0.154SC..  trans-102.7-39.2-176.8-65.6-170.6-153.400112E209 L261 R262E209-E235 PolarHBondContact OE1-N 2.85Å; E235-L261 CarbonylContact O-C 3.55Å; E235-L261 WeakPolarHBondContact O-CA 3.1Å; E235-R262 PolarHBondContact O-N 3.25Å; E235-R262 IonicContact OE2-CZ 3.51Å; E235-R262 IonicContact OE2-NH1 2.76Å; E235-R262 PolarHBondContact OE2-NH1 3.41Å; E235-R262 IonicContact OE2-NH2 3.98Å
236T94.1Very high95.4Very high4 Ų426.3 Ų26.33%0.02516%0.159CC..  trans-142.9143.6-175.564.70000112.5E209 T238 G239 V240 R262 T264 N266E209-T236 PolarHBondContact OE1-N 2.95Å; E209-T236 PolarHBondContact OE1-OG1 2.95Å; E209-T236 VanDerWaalsContact OE1-OG1 3.08Å; T236-T238 PolarHBondContact O-N 3.2Å; T236-T238 PolarHBondContact OG1-OG1 2.96Å; T236-G239 PolarHBondContact O-N 2.89Å; T236-G239 PolarHBondContact OG1-N 3Å; T236-V240 WeakPolarHBondContact O-CG2 3.39Å; T236-V240 PolarHBondContact O-N 2.82Å; T236-V240 VanDerWaalsContact O-N 3.12Å; T236-R262 HydrophobicContact CG2-CB 4.29Å; T236-T264 WeakPolarHBondContact CG2-O 3.4Å; T236-N266 HydrophobicContact CG2-CB 4.19Å
237P94.4Very high95Very high2 Ų223.2 Ų23.21%0.01314%0.143CC..Hα-helixtrans-56.9-36.5171.6-27.236.2000113.1V240 C241 W274 L283 P292 L295P237-V240 PolarHBondContact O-N 3.15Å; P237-C241 WeakPolarHBondContact O-CB 3.43Å; P237-C241 PolarHBondContact O-N 3.18Å; P237-W274 HydrophobicContact CB-CH2 4.48Å; P237-W274 HydrophobicContact CB-CZ2 3.99Å; P237-W274 WeakPolarHBondContact O-CH2 3.38Å; P237-W274 WeakPolarHBondContact O-CZ2 3.37Å; P237-L283 HydrophobicContact CG-CD2 4.43Å; P237-P292 HydrophobicContact CG-CB 3.89Å; P237-P292 HydrophobicContact CG-CG 3.87Å; P237-L295 HydrophobicContact CB-CD2 4.34Å; P237-L295 HydrophobicContact CG-CD2 4.48Å
238T92.9Very high94.6Very high19 Ų1925.2 Ų25.212%0.11716%0.164CC..Hα-helixtrans-65.7-37.8178.149.20000113.2T236 C241 A242 A265 N266 K293T236-T238 PolarHBondContact O-N 3.2Å; T236-T238 PolarHBondContact OG1-OG1 2.96Å; T238-C241 WeakPolarHBondContact O-CB 3.48Å; T238-C241 PolarHBondContact O-N 2.98Å; T238-A242 PolarHBondContact O-N 3.37Å; T238-A265 HydrophobicContact CG2-CB 4.49Å; T238-N266 PolarHBondContact OG1-N 3.22Å; T238-K293 WeakPolarHBondContact CG2-O 2.94Å
239G93.7Very high94.4Very high4 Ų425.3 Ų25.34%0.04116%0.164CC..Hα-helixtrans-70.2-40.3177.200000111.7E209 T236 A242 A243E209-G239 WeakPolarHBondContact OE2-CA 3.45Å; T236-G239 PolarHBondContact O-N 2.89Å; T236-G239 PolarHBondContact OG1-N 3Å; G239-A242 PolarHBondContact O-N 3.15Å; G239-A243 PolarHBondContact O-N 3.37Å
240V95.5Very high94.1Very high0 Ų031 Ų310%019%0.19CC..Hα-helixtrans-59.5-47.2170.7177.80000111.1L212 L229 M234 T236 P237 A242 A243 L244 L254 L256L212-V240 HydrophobicContact CD2-CG1 4.22Å; L229-V240 HydrophobicContact CD1-CG1 4.22Å; M234-V240 HydrophobicContact CB-CG2 3.9Å; M234-V240 HydrophobicContact CG-CG2 3.83Å; M234-V240 HydrophobicContact SD-CG2 3.75Å; T236-V240 WeakPolarHBondContact O-CG2 3.39Å; T236-V240 PolarHBondContact O-N 2.82Å; T236-V240 VanDerWaalsContact O-N 3.12Å; P237-V240 PolarHBondContact O-N 3.15Å; V240-A242 VanDerWaalsContact C-N 3.29Å; V240-A242 PolarHBondContact O-N 3.13Å; V240-A243 WeakPolarHBondContact O-CB 3.45Å; V240-A243 PolarHBondContact O-N 2.89Å; V240-A243 VanDerWaalsContact O-N 3.13Å; V240-L244 HydrophobicContact CG1-CD1 4.08Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CG 3.19Å; V240-L244 PolarHBondContact O-N 3.07Å; V240-L254 HydrophobicContact CG1-CD2 4.03Å; V240-L256 HydrophobicContact CB-CD1 4.43Å; V240-L256 HydrophobicContact CG1-CD1 4.46Å; V240-L256 HydrophobicContact CG1-CD2 4.17Å; V240-L256 HydrophobicContact CG2-CD1 4.18Å; V240-L256 HydrophobicContact CG2-CD2 4.29Å
241C95.1Very high94Very high2 Ų227.8 Ų27.81%0.01418%0.179CC..Hα-helixtrans-53.3-48.3175.6-178.60000111.5P237 T238 A243 L244 T245 C272 W274P237-C241 WeakPolarHBondContact O-CB 3.43Å; P237-C241 PolarHBondContact O-N 3.18Å; T238-C241 WeakPolarHBondContact O-CB 3.48Å; T238-C241 PolarHBondContact O-N 2.98Å; C241-A243 VanDerWaalsContact C-N 3.32Å; C241-A243 PolarHBondContact O-N 2.8Å; C241-L244 PolarHBondContact O-N 2.88Å; C241-T245 PolarHBondContact O-N 2.78Å; C241-T245 PolarHBondContact O-OG1 3.12Å; C241-C272 VanDerWaalsContact CA-SG 3.54Å; C241-C272 HydrophobicContact CB-CB 3.66Å; C241-C272 WeakPolarHBondContact CB-SG 3.46Å; C241-C272 PolarHBondContact O-SG 3.02Å; C241-C272 WeakPolarHBondContact SG-CB 3.48Å; C241-C272 CovalentContact SG-SG 2.02Å; C241-C272 PolarHBondContact SG-SG 3.02Å; C241-W274 HydrophobicContact CB-CD2 3.86Å; C241-W274 HydrophobicContact CB-CE3 3.98Å; C241-W274 HydrophobicContact CB-CH2 3.8Å; C241-W274 HydrophobicContact CB-CZ2 3.66Å; C241-W274 HydrophobicContact CB-CZ3 3.95Å; C241-W274 VanDerWaalsContact SG-CD2 3.54Å
242A93Very high94Very high18 Ų1828.3 Ų28.315%0.14918%0.179CC..Hα-helixtrans-62.4-40.618000000111.5T238 G239 V240 T245 A246 P270 C272T238-A242 PolarHBondContact O-N 3.37Å; G239-A242 PolarHBondContact O-N 3.15Å; V240-A242 VanDerWaalsContact C-N 3.29Å; V240-A242 PolarHBondContact O-N 3.13Å; A242-T245 PolarHBondContact O-N 2.99Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.46Å; A242-P270 HydrophobicContact CB-CG 4.17Å; A242-C272 HydrophobicContact CB-CB 4.31Å; A242-C272 PolarHBondContact N-SG 3.1Å
243A93.1Very high94.1Very high2 Ų229.8 Ų29.82%0.01719%0.189CC..Hα-helixtrans-64-44175.900000112.6L212 I213 G239 V240 C241 T245 A246 A247L212-A243 HydrophobicContact CB-CB 4.45Å; L212-A243 HydrophobicContact CD2-CB 3.97Å; L212-A243 HydrophobicContact CG-CB 4.4Å; I213-A243 HydrophobicContact CD1-CB 4.23Å; I213-A243 HydrophobicContact CG1-CB 3.66Å; G239-A243 PolarHBondContact O-N 3.37Å; V240-A243 WeakPolarHBondContact O-CB 3.45Å; V240-A243 PolarHBondContact O-N 2.89Å; V240-A243 VanDerWaalsContact O-N 3.13Å; C241-A243 VanDerWaalsContact C-N 3.32Å; C241-A243 PolarHBondContact O-N 2.8Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 3.08Å; A243-A246 PolarHBondContact O-N 3.09Å; A243-A247 WeakPolarHBondContact O-CB 3.39Å; A243-A247 PolarHBondContact O-N 3.4Å
244L94.5Very high94.2Very high8 Ų828 Ų284%0.04217%0.171CC..Hα-helixtrans-61.5-41.9175.7-65.9178.3000111.8L216 L227 V240 C241 A247 G248 V249 P251 L254 W274L216-L244 HydrophobicContact CD1-CD2 3.56Å; L227-L244 HydrophobicContact CD2-CD2 3.48Å; L227-L244 VanDerWaalsContact CD2-CD2 3.48Å; V240-L244 HydrophobicContact CG1-CD1 4.08Å; V240-L244 HydrophobicContact CG1-CG 4.19Å; V240-L244 WeakPolarHBondContact O-CG 3.19Å; V240-L244 PolarHBondContact O-N 3.07Å; C241-L244 PolarHBondContact O-N 2.88Å; L244-A247 PolarHBondContact O-N 2.7Å; L244-G248 PolarHBondContact O-N 2.88Å; L244-V249 HydrophobicContact CD2-CB 4.5Å; L244-V249 HydrophobicContact CD2-CG1 4.49Å; L244-V249 PolarHBondContact O-N 2.82Å; L244-P251 HydrophobicContact CD1-CG 4.22Å; L244-L254 HydrophobicContact CD1-CD2 4.07Å; L244-W274 HydrophobicContact CD1-CZ3 4.3Å
245T91.8Very high94.3Very high87 Ų8729.1 Ų29.153%0.53418%0.177SC..Hα-helixtrans-63.3-45.6176.8-57.10000111C241 A242 A243 A247 G248 C272C241-T245 PolarHBondContact O-N 2.78Å; C241-T245 PolarHBondContact O-OG1 3.12Å; A242-T245 PolarHBondContact O-N 2.99Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 3.08Å; T245-A247 VanDerWaalsContact C-N 3.3Å; T245-A247 PolarHBondContact O-N 3.41Å; T245-G248 PolarHBondContact O-N 3.35Å; T245-G248 VanDerWaalsContact O-N 3.11Å; T245-C272 PolarHBondContact OG1-SG 2.74Å
246A90.4Very high94.5Very high64 Ų6424.9 Ų24.953%0.52916%0.157SC..Hα-helixtrans-63-35.8177.400000112.6I213 A242 A243 G248I213-A246 HydrophobicContact CD1-CB 4.27Å; I213-A246 HydrophobicContact CG1-CB 4.43Å; I213-A246 HydrophobicContact CG2-CB 4.42Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.46Å; A243-A246 PolarHBondContact O-N 3.09Å; A246-G248 VanDerWaalsContact C-N 3.3Å
247A89.8Confident94.7Very high1 Ų124.9 Ų24.91%0.00816%0.158CC..Hα-helixtrans-78.8-10.7175.900000113.9L216 A243 L244 T245 V249L216-A247 HydrophobicContact CB-CB 3.52Å; L216-A247 HydrophobicContact CD1-CB 4.16Å; L216-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 WeakPolarHBondContact O-CB 3.39Å; A243-A247 PolarHBondContact O-N 3.4Å; L244-A247 PolarHBondContact O-N 2.7Å; T245-A247 VanDerWaalsContact C-N 3.3Å; T245-A247 PolarHBondContact O-N 3.41Å; A247-V249 VanDerWaalsContact C-N 3.31Å; A247-V249 HydrophobicContact CB-CG2 4.01Å; A247-V249 PolarHBondContact O-N 2.9Å
248G90.9Very high94.9Very high45 Ų4528.6 Ų28.646%0.46417%0.174SC..THydrogen-bonded Turntrans67.628.9-175.700000113.6L244 T245 A246L244-G248 PolarHBondContact O-N 2.88Å; T245-G248 PolarHBondContact O-N 3.35Å; T245-G248 VanDerWaalsContact O-N 3.11Å; A246-G248 VanDerWaalsContact C-N 3.3Å
249V93.3Very high95.1Very high12 Ų1227.9 Ų27.97%0.07317%0.17CC..  trans-105.6133.9-176.7178.10000110.4L216 L224 L244 A247L216-V249 HydrophobicContact CB-CG2 4.18Å; L216-V249 HydrophobicContact CD1-CB 4.37Å; L216-V249 HydrophobicContact CD1-CG2 4.26Å; L224-V249 HydrophobicContact CD2-CG1 3.55Å; L244-V249 HydrophobicContact CD2-CB 4.5Å; L244-V249 HydrophobicContact CD2-CG1 4.49Å; L244-V249 PolarHBondContact O-N 2.82Å; A247-V249 VanDerWaalsContact C-N 3.31Å; A247-V249 HydrophobicContact CB-CG2 4.01Å; A247-V249 PolarHBondContact O-N 2.9Å
250Q92.9Very high95.2Very high120 Ų12033 Ų3356%0.56121%0.205SC*.  trans-132.279.4-174.2-60.9-172.138.400111.1S275Q250-S275 PolarHBondContact OE1-OG 2.05Å
251P96.6Very high95.3Very high4 Ų433.4 Ų33.43%0.02621%0.207CC..  trans-74.8154.5-178.732.6-32.8000111.3Q225 L227 L244 L278Q225-P251 CarbonylContact O-C 3.58Å; L227-P251 HydrophobicContact CB-CB 4.01Å; L227-P251 HydrophobicContact CB-CG 4.3Å; L244-P251 HydrophobicContact CD1-CG 4.22Å; P251-L278 WeakPolarHBondContact O-CA 3.33Å
252H98Very high95.1Very high76 Ų7640.2 Ų40.235%0.35223%0.233SC..SBendtrans-83.5-37.7170.3-67.667.5000111.4Q225 N279 S280Q225-H252 WeakPolarHBondContact O-CA 3.46Å; Q225-H252 PolarHBondContact O-N 3.43Å; H252-N279 PolarHBondContact O-N 3.46Å; H252-N279 PolarHBondContact O-OD1 2.96Å; H252-S280 PolarHBondContact O-N 3.23Å; H252-S280 VanDerWaalsContact O-N 3.14Å
253S98.6Very high94.8Very high30 Ų3040.5 Ų40.521%0.2124%0.235CC..EExtended strand (participates in β ladder)trans-123.4130.6176.9-1720000110.6Q225 N226 L227 S280Q225-S253 PolarHBondContact O-N 3.33Å; N226-S253 WeakPolarHBondContact OD1-CB 3.45Å; L227-S253 PolarHBondContact N-O 2.87Å; S253-S280 WeakPolarHBondContact CA-O 3.45Å; S253-S280 PolarHBondContact OG-OG 3.38Å
254L98.7Very high94.2Very high0 Ų044.8 Ų44.80%026%0.261CS..EExtended strand (participates in β ladder)trans-124.2123.4177.4-178.162.7000110.2L227 L229 V240 L244 L256 W274 L278 S280 L281 N282L227-L254 HydrophobicContact CB-CD1 4.09Å; L227-L254 HydrophobicContact CD2-CD1 3.96Å; L227-L254 HydrophobicContact CG-CD1 3.99Å; L227-L254 WeakPolarHBondContact O-CA 3.32Å; L229-L254 HydrophobicContact CD1-CD1 4.06Å; L229-L254 HydrophobicContact CG-CD1 4.49Å; V240-L254 HydrophobicContact CG1-CD2 4.03Å; L244-L254 HydrophobicContact CD1-CD2 4.07Å; L254-L256 HydrophobicContact CD1-CD2 3.88Å; L254-L256 HydrophobicContact CD2-CD1 4.16Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.16Å; L254-L256 HydrophobicContact CG-CD2 3.86Å; L254-L256 HydrophobicContact CG-CG 3.98Å; L254-W274 HydrophobicContact CD2-CH2 4Å; L254-W274 HydrophobicContact CD2-CZ3 3.74Å; L254-L278 HydrophobicContact CB-CD1 3.86Å; L254-S280 PolarHBondContact N-O 2.88Å; L254-L281 HydrophobicContact CB-CD1 3.96Å; L254-L281 HydrophobicContact CD2-CD1 3.89Å; L254-L281 HydrophobicContact CG-CD1 4.01Å; L254-L281 WeakPolarHBondContact O-CA 3.44Å; L254-N282 PolarHBondContact O-N 3.04Å
255D98.8Very high92.9Very high25 Ų2546.6 Ų46.613%0.13428%0.277CS..EExtended strand (participates in β ladder)trans-110.7111.2176.9-179.78.3000110.5L227 A228 L229 R230 S257 N282L227-D255 PolarHBondContact O-N 3.29Å; A228-D255 HydrophobicContact CB-CB 4.32Å; L229-D255 CarbonylContact C-O 3.6Å; L229-D255 WeakPolarHBondContact CA-O 3.3Å; L229-D255 PolarHBondContact N-O 2.92Å; R230-D255 WeakPolarHBondContact CD-OD2 3.16Å; R230-D255 VanDerWaalsContact CG-OD2 3.31Å; R230-D255 WeakPolarHBondContact CG-OD2 3.31Å; R230-D255 IonicContact CZ-OD2 3.88Å; R230-D255 IonicContact NE-OD2 3.16Å; R230-D255 IonicContact NH1-OD2 2.75Å; R230-D255 PolarHBondContact NH1-OD2 3.41Å; D255-S257 VanDerWaalsContact OD1-CB 3.26Å; D255-S257 WeakPolarHBondContact OD1-CB 3.21Å; D255-S257 PolarHBondContact OD1-N 3.03Å; D255-S257 PolarHBondContact OD1-OG 2.86Å; D255-N282 HydrophobicContact CB-CB 4.35Å
256L98.6Very high91.7Very high0 Ų044.4 Ų44.40%026%0.262CS..  trans-112.315.6176.9-52.1-177.4000111.8L229 V240 L254 N259 L261 L281 N282 L283L229-L256 HydrophobicContact CB-CD2 3.93Å; L229-L256 HydrophobicContact CD1-CD2 3.88Å; L229-L256 HydrophobicContact CG-CD2 4.39Å; V240-L256 HydrophobicContact CB-CD1 4.43Å; V240-L256 HydrophobicContact CG1-CD1 4.46Å; V240-L256 HydrophobicContact CG1-CD2 4.17Å; V240-L256 HydrophobicContact CG2-CD1 4.18Å; V240-L256 HydrophobicContact CG2-CD2 4.29Å; L254-L256 HydrophobicContact CD1-CD2 3.88Å; L254-L256 HydrophobicContact CD2-CD1 4.16Å; L254-L256 HydrophobicContact CD2-CD2 4.12Å; L254-L256 HydrophobicContact CD2-CG 4.16Å; L254-L256 HydrophobicContact CG-CD2 3.86Å; L254-L256 HydrophobicContact CG-CG 3.98Å; L256-N259 PolarHBondContact O-ND2 2.75Å; L256-L261 HydrophobicContact CB-CD1 4.33Å; L256-L281 HydrophobicContact CD1-CD1 4.32Å; L256-L281 HydrophobicContact CG-CD1 4.43Å; L256-N282 CarbonylContact C-O 3.57Å; L256-N282 WeakPolarHBondContact CA-O 3.48Å; L256-N282 PolarHBondContact N-O 3.21Å; L256-L283 HydrophobicContact CB-CD2 3.98Å; L256-L283 HydrophobicContact CD1-CD2 3.91Å; L256-L283 HydrophobicContact CG-CD2 4.29Å
257S98.4Very high90.4Very high4 Ų447.5 Ų47.53%0.02828%0.277CS..THydrogen-bonded Turntrans-59.4157.4-17960.40000112R230 N231 D255 N259 N282 S284R230-S257 WeakPolarHBondContact CA-O 3.47Å; R230-S257 WeakPolarHBondContact CB-O 3.24Å; R230-S257 VanDerWaalsContact CD-OG 3.31Å; R230-S257 WeakPolarHBondContact CD-OG 3.31Å; R230-S257 VanDerWaalsContact CG-OG 3.29Å; R230-S257 WeakPolarHBondContact CG-OG 3.49Å; N231-S257 PolarHBondContact N-O 3.3Å; D255-S257 VanDerWaalsContact OD1-CB 3.26Å; D255-S257 WeakPolarHBondContact OD1-CB 3.21Å; D255-S257 PolarHBondContact OD1-N 3.03Å; D255-S257 PolarHBondContact OD1-OG 2.86Å; S257-N259 PolarHBondContact O-N 3.13Å; S257-N259 VanDerWaalsContact O-N 3.09Å; S257-N259 PolarHBondContact O-ND2 3.33Å; S257-N282 PolarHBondContact N-O 3.34Å; S257-S284 WeakPolarHBondContact CA-O 3.23Å; S257-S284 WeakPolarHBondContact CB-O 3.33Å; S257-S284 WeakPolarHBondContact CB-OG 3.31Å
258H97.9Very high89.1Confident79 Ų7952.6 Ų52.637%0.36631%0.312SS..THydrogen-bonded Turntrans59.619.4-179.2-57.8-87.5000115.6N231 S284 F285N231-H258 WeakPolarHBondContact CA-O 3.37Å; N231-H258 HydrophobicContact CB-CB 4.38Å; H258-S284 PolarHBondContact N-O 3.08Å; H258-S284 VanDerWaalsContact N-O 3.15Å; H258-F285 WeakPolarHBondContact CA-O 3.3Å; H258-F285 AromaticContact CE1-CD2 3.97Å; H258-F285 AromaticContact CE1-CG 3.63Å; H258-F285 AromaticContact NE2-CD2 3.87Å; H258-F285 AromaticContact NE2-CG 3.97Å
259N97.8Very high87.7Confident4 Ų451.6 Ų51.62%0.02130%0.299CS..SBendtrans-96.7149.1166.2-72.3-80.1000110.5L229 T232 G233 M234 L256 S257 L261 A286L229-N259 PolarHBondContact O-ND2 3.14Å; T232-N259 PolarHBondContact N-OD1 2.87Å; T232-N259 PolarHBondContact OG1-OD1 3.47Å; G233-N259 PolarHBondContact N-OD1 3.09Å; G233-N259 VanDerWaalsContact N-OD1 3.09Å; M234-N259 HydrophobicContact CB-CB 4.33Å; M234-N259 PolarHBondContact N-OD1 3.32Å; M234-N259 VanDerWaalsContact N-OD1 3.08Å; L256-N259 PolarHBondContact O-ND2 2.75Å; S257-N259 PolarHBondContact O-N 3.13Å; S257-N259 VanDerWaalsContact O-N 3.09Å; S257-N259 PolarHBondContact O-ND2 3.33Å; N259-L261 HydrophobicContact CB-CD2 3.79Å; N259-L261 HydrophobicContact CB-CG 3.96Å; N259-L261 PolarHBondContact O-N 3.24Å; N259-A286 CarbonylContact O-C 3.54Å; N259-A286 VanDerWaalsContact O-C 3.32Å; N259-A286 WeakPolarHBondContact O-CA 3.31Å; N259-A286 WeakPolarHBondContact O-CB 3.3Å
260S96.2Very high86.4Confident111 Ų11155.6 Ų55.678%0.77633%0.326SS*.  trans-78.273173.5-61.50000111
261L96.1Very high85.4Confident10 Ų1062.1 Ų62.15%0.05235%0.345CS..  trans-77.5140.5-172.7-61.5179.8000112.3M234 E235 L256 N259 L283 A286 L288M234-L261 HydrophobicContact CB-CD2 4.21Å; M234-L261 WeakPolarHBondContact O-CD2 3.17Å; E235-L261 CarbonylContact O-C 3.55Å; E235-L261 WeakPolarHBondContact O-CA 3.1Å; L256-L261 HydrophobicContact CB-CD1 4.33Å; N259-L261 HydrophobicContact CB-CD2 3.79Å; N259-L261 HydrophobicContact CB-CG 3.96Å; N259-L261 PolarHBondContact O-N 3.24Å; L261-L283 HydrophobicContact CD1-CD2 3.89Å; L261-A286 HydrophobicContact CB-CB 4.06Å; L261-A286 HydrophobicContact CD1-CB 3.68Å; L261-A286 HydrophobicContact CG-CB 3.85Å; L261-A286 PolarHBondContact N-O 2.85Å; L261-A286 VanDerWaalsContact N-O 3.12Å; L261-L288 HydrophobicContact CB-CD2 3.73Å; L261-L288 HydrophobicContact CB-CG 4.17Å
262R92.6Very high84.6Confident145 Ų14563.6 Ų63.655%0.54736%0.355SS..  trans-97.6142.6172.1-63.8179.1179.4147.25.6110.4E235 T236E235-R262 PolarHBondContact O-N 3.25Å; E235-R262 IonicContact OE2-CZ 3.51Å; E235-R262 IonicContact OE2-NH1 2.76Å; E235-R262 PolarHBondContact OE2-NH1 3.41Å; E235-R262 IonicContact OE2-NH2 3.98Å; T236-R262 HydrophobicContact CG2-CB 4.29Å
263A85Confident84.1Confident23 Ų2368 Ų6819%0.1938%0.378CS..SBendtrans-77.7-21179.400000113.8Q290 P292 K293A263-Q290 HydrophobicContact CB-CB 3.8Å; A263-P292 WeakPolarHBondContact O-CA 3.46Å; A263-K293 PolarHBondContact O-N 3.18Å
264T80.9Confident83.9Confident92 Ų9268.4 Ų68.456%0.56438%0.375SS*.SBendtrans-70.5138.5177.552.20000110.5T236 N266T236-T264 WeakPolarHBondContact CG2-O 3.4Å; T264-N266 PolarHBondContact O-N 3.34Å
265A68.6Low83.5Confident46 Ų4669.8 Ų69.838%0.3838%0.384SS..  trans-59.1137.8164.900000108.9T238 P267 K293T238-A265 HydrophobicContact CG2-CB 4.49Å; A265-P267 VanDerWaalsContact O-CD 3.23Å; A265-P267 WeakPolarHBondContact O-CD 3Å; A265-P267 VanDerWaalsContact O-N 3.14Å; A265-K293 HydrophobicContact CB-CB 4.31Å
266N65.9Low83.2Confident42 Ų4274.7 Ų74.723%0.22542%0.421CS..  trans-65.2113.3174.4-179.2-15.4000108.2E209 T236 T238 T264 S268 A269E209-N266 PolarHBondContact OE2-ND2 3.18Å; T236-N266 HydrophobicContact CG2-CB 4.19Å; T238-N266 PolarHBondContact OG1-N 3.22Å; T264-N266 PolarHBondContact O-N 3.34Å; N266-S268 PolarHBondContact O-N 3.24Å; N266-S268 PolarHBondContact OD1-N 3.18Å; N266-A269 HydrophobicContact CB-CB 3.73Å; N266-A269 PolarHBondContact O-N 2.86Å; N266-A269 PolarHBondContact OD1-N 2.99Å
267P62.2Low82.9Confident128 Ų12876.2 Ų76.283%0.83143%0.434SS*.THydrogen-bonded Turntrans-66.8-19.4-174.426.8-33.1000112.6A265A265-P267 VanDerWaalsContact O-CD 3.23Å; A265-P267 WeakPolarHBondContact O-CD 3Å; A265-P267 VanDerWaalsContact O-N 3.14Å
268S63.3Low82.9Confident109 Ų10976.5 Ų76.576%0.76244%0.435SS*.THydrogen-bonded Turntrans-95.5-7.2177.2-530000113.1N266N266-S268 PolarHBondContact O-N 3.24Å; N266-S268 PolarHBondContact OD1-N 3.18Å
269A61.8Low82.9Confident23 Ų2375.2 Ų75.219%0.1943%0.431CS..SBendtrans-78131.3176.300000109.7N266N266-A269 HydrophobicContact CB-CB 3.73Å; N266-A269 PolarHBondContact O-N 2.86Å; N266-A269 PolarHBondContact OD1-N 2.99Å
270P65.6Low82.9Confident97 Ų9776.2 Ų76.263%0.6344%0.438SS*.  trans-57.5151.217124.5-31.8000109.6A242 C272A242-P270 HydrophobicContact CB-CG 4.17Å; P270-C272 PolarHBondContact O-N 3.19Å
271R71.3Confident83Confident257 Ų25771 Ų7197%0.9740%0.401SS*.  trans-54.4108.3173.9-81.4-175.5175.8158.2-0.3108.5
272C81.2Confident83.1Confident35 Ų3572.3 Ų72.324%0.23641%0.408CS..  trans-94138.4180-174.10000110.6C241 A242 T245 P270C241-C272 VanDerWaalsContact CA-SG 3.54Å; C241-C272 HydrophobicContact CB-CB 3.66Å; C241-C272 WeakPolarHBondContact CB-SG 3.46Å; C241-C272 PolarHBondContact O-SG 3.02Å; C241-C272 WeakPolarHBondContact SG-CB 3.48Å; C241-C272 CovalentContact SG-SG 2.02Å; C241-C272 PolarHBondContact SG-SG 3.02Å; A242-C272 HydrophobicContact CB-CB 4.31Å; A242-C272 PolarHBondContact N-SG 3.1Å; T245-C272 PolarHBondContact OG1-SG 2.74Å; P270-C272 PolarHBondContact O-N 3.19Å
273M87.9Confident83.4Confident167 Ų16765.4 Ų65.482%0.82338%0.382SS*.  trans-105119168-63.6-166.3-59.300108.4
274W93.4Very high84.1Confident40 Ų4064.6 Ų64.615%0.15238%0.375CS..  trans-60.6144.3172.3-68.899.4000110.6P237 C241 L244 L254 S276 L278 G294 P296P237-W274 HydrophobicContact CB-CH2 4.48Å; P237-W274 HydrophobicContact CB-CZ2 3.99Å; P237-W274 WeakPolarHBondContact O-CH2 3.38Å; P237-W274 WeakPolarHBondContact O-CZ2 3.37Å; C241-W274 HydrophobicContact CB-CD2 3.86Å; C241-W274 HydrophobicContact CB-CE3 3.98Å; C241-W274 HydrophobicContact CB-CH2 3.8Å; C241-W274 HydrophobicContact CB-CZ2 3.66Å; C241-W274 HydrophobicContact CB-CZ3 3.95Å; C241-W274 VanDerWaalsContact SG-CD2 3.54Å; L244-W274 HydrophobicContact CD1-CZ3 4.3Å; L254-W274 HydrophobicContact CD2-CH2 4Å; L254-W274 HydrophobicContact CD2-CZ3 3.74Å; W274-S276 PolarHBondContact O-N 3.02Å; W274-L278 HydrophobicContact CD2-CD2 4.11Å; W274-L278 HydrophobicContact CE3-CD2 3.43Å; W274-L278 VanDerWaalsContact CE3-CD2 3.43Å; W274-L278 HydrophobicContact CZ3-CD2 3.8Å; W274-G294 PolarHBondContact NE1-O 2.87Å; W274-P296 HydrophobicContact CB-CB 3.94Å; W274-P296 HydrophobicContact CB-CG 4.04Å; W274-P296 HydrophobicContact CD2-CG 3.71Å; W274-P296 HydrophobicContact CE3-CG 4.34Å; W274-P296 HydrophobicContact CG-CB 3.88Å; W274-P296 HydrophobicContact CG-CG 3.56Å
275S90.7Very high84.8Confident28 Ų2862.4 Ų62.420%0.19636%0.358CS..  trans-60.3139.1171.5176.40000110Q250 A277 L278Q250-S275 PolarHBondContact OE1-OG 2.05Å; S275-A277 PolarHBondContact O-N 3.07Å; S275-A277 PolarHBondContact OG-N 3.43Å; S275-L278 WeakPolarHBondContact O-CB 3.03Å; S275-L278 PolarHBondContact O-N 3.44Å
276S91.4Very high86.2Confident128 Ų12860.4 Ų60.490%0.89534%0.341SS*.THydrogen-bonded Turntrans-66.2-15.3173.654.80000113.2W274 L278W274-S276 PolarHBondContact O-N 3.02Å; S276-L278 VanDerWaalsContact C-N 3.35Å
277A93.6Very high87.6Confident33 Ų3359.9 Ų59.927%0.27335%0.346SS..THydrogen-bonded Turntrans-76.8-21.4175.500000113S275 N279S275-A277 PolarHBondContact O-N 3.07Å; S275-A277 PolarHBondContact OG-N 3.43Å; A277-N279 PolarHBondContact O-N 3.41Å
278L97.5Very high89.3Confident9 Ų953.9 Ų53.95%0.04731%0.307CS..  trans-66.5120.5-179-174.770.4000109.9P251 L254 W274 S275 S276 P296 L299P251-L278 WeakPolarHBondContact O-CA 3.33Å; L254-L278 HydrophobicContact CB-CD1 3.86Å; W274-L278 HydrophobicContact CD2-CD2 4.11Å; W274-L278 HydrophobicContact CE3-CD2 3.43Å; W274-L278 VanDerWaalsContact CE3-CD2 3.43Å; W274-L278 HydrophobicContact CZ3-CD2 3.8Å; S275-L278 WeakPolarHBondContact O-CB 3.03Å; S275-L278 PolarHBondContact O-N 3.44Å; S276-L278 VanDerWaalsContact C-N 3.35Å; L278-P296 HydrophobicContact CD2-CG 3.7Å; L278-L299 HydrophobicContact CD2-CD2 4.41Å; L278-L299 HydrophobicContact CG-CD2 4.14Å
279N97.6Very high90.8Very high53 Ų5354.4 Ų54.428%0.28330%0.297SS..  trans-122.3-20.4-175.769.128.6000113.4H252 A277 R300 V301H252-N279 PolarHBondContact O-N 3.46Å; H252-N279 PolarHBondContact O-OD1 2.96Å; A277-N279 PolarHBondContact O-N 3.41Å; N279-R300 HydrophobicContact CB-CB 4.43Å; N279-R300 HydrophobicContact CB-CG 4.28Å; N279-R300 WeakPolarHBondContact O-CA 3.47Å; N279-R300 WeakPolarHBondContact O-CB 3.43Å; N279-R300 PolarHBondContact O-N 3.23Å; N279-V301 PolarHBondContact O-N 3.5Å
280S98.5Very high92.3Very high25 Ų2559 Ų5918%0.17532%0.315CS..EExtended strand (participates in β ladder)trans-134.2127.4-174.9177.10000109.7H252 S253 L254 V301H252-S280 PolarHBondContact O-N 3.23Å; H252-S280 VanDerWaalsContact O-N 3.14Å; S253-S280 WeakPolarHBondContact CA-O 3.45Å; S253-S280 PolarHBondContact OG-OG 3.38Å; L254-S280 PolarHBondContact N-O 2.88Å; S280-V301 WeakPolarHBondContact CA-O 3.33Å
281L98.6Very high93.8Very high1 Ų155.1 Ų55.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-133121.6177.4-176.362.7000110L254 L256 L283 L295 L299 V301 L302 D303L254-L281 HydrophobicContact CB-CD1 3.96Å; L254-L281 HydrophobicContact CD2-CD1 3.89Å; L254-L281 HydrophobicContact CG-CD1 4.01Å; L254-L281 WeakPolarHBondContact O-CA 3.44Å; L256-L281 HydrophobicContact CD1-CD1 4.32Å; L256-L281 HydrophobicContact CG-CD1 4.43Å; L281-L283 HydrophobicContact CD1-CD2 4Å; L281-L283 HydrophobicContact CD2-CD1 4.03Å; L281-L283 HydrophobicContact CD2-CD2 4.16Å; L281-L283 HydrophobicContact CD2-CG 4.16Å; L281-L283 HydrophobicContact CG-CD1 4.38Å; L281-L283 HydrophobicContact CG-CD2 3.91Å; L281-L283 HydrophobicContact CG-CG 3.96Å; L281-L295 HydrophobicContact CD2-CD2 3.78Å; L281-L299 HydrophobicContact CB-CD1 3.81Å; L281-L299 HydrophobicContact CB-CD2 4.4Å; L281-L299 HydrophobicContact CD2-CD1 4.28Å; L281-V301 PolarHBondContact N-O 2.85Å; L281-L302 HydrophobicContact CB-CD1 4.15Å; L281-L302 HydrophobicContact CD2-CD1 4.2Å; L281-L302 HydrophobicContact CG-CD1 4.28Å; L281-L302 WeakPolarHBondContact O-CA 3.42Å; L281-D303 PolarHBondContact O-N 3.44Å
282N98.8Very high94.9Very high37 Ų3743.1 Ų43.120%0.19825%0.245CC..EExtended strand (participates in β ladder)trans-105.7118.4175-170.5-12.5000110.6L254 D255 L256 S257 S284 D303L254-N282 PolarHBondContact O-N 3.04Å; D255-N282 HydrophobicContact CB-CB 4.35Å; L256-N282 CarbonylContact C-O 3.57Å; L256-N282 WeakPolarHBondContact CA-O 3.48Å; L256-N282 PolarHBondContact N-O 3.21Å; S257-N282 PolarHBondContact N-O 3.34Å; N282-S284 VanDerWaalsContact OD1-CB 3.25Å; N282-S284 WeakPolarHBondContact OD1-CB 3.27Å; N282-S284 PolarHBondContact OD1-N 3.29Å; N282-S284 PolarHBondContact OD1-OG 3.12Å; N282-D303 HydrophobicContact CB-CB 4.4Å
283L98.4Very high95.3Very high0 Ų048.5 Ų48.50%026%0.264CS..  trans-122.522.7177.7-53.3179.5000111.1P237 L256 L261 L281 A286 L288 P292 L295 L302 D303 L304 N307P237-L283 HydrophobicContact CG-CD2 4.43Å; L256-L283 HydrophobicContact CB-CD2 3.98Å; L256-L283 HydrophobicContact CD1-CD2 3.91Å; L256-L283 HydrophobicContact CG-CD2 4.29Å; L261-L283 HydrophobicContact CD1-CD2 3.89Å; L281-L283 HydrophobicContact CD1-CD2 4Å; L281-L283 HydrophobicContact CD2-CD1 4.03Å; L281-L283 HydrophobicContact CD2-CD2 4.16Å; L281-L283 HydrophobicContact CD2-CG 4.16Å; L281-L283 HydrophobicContact CG-CD1 4.38Å; L281-L283 HydrophobicContact CG-CD2 3.91Å; L281-L283 HydrophobicContact CG-CG 3.96Å; L283-A286 VanDerWaalsContact O-CB 3.31Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; L283-L288 HydrophobicContact CB-CD1 4.07Å; L283-P292 HydrophobicContact CD1-CG 3.96Å; L283-L295 HydrophobicContact CD1-CD2 3.89Å; L283-L302 HydrophobicContact CD1-CD1 4.17Å; L283-L302 HydrophobicContact CG-CD1 4.45Å; L283-D303 CarbonylContact C-O 3.59Å; L283-D303 WeakPolarHBondContact CA-O 3.39Å; L283-D303 PolarHBondContact N-O 3.05Å; L283-L304 HydrophobicContact CB-CD2 3.94Å; L283-L304 HydrophobicContact CD1-CD2 3.97Å; L283-N307 PolarHBondContact O-ND2 3.33Å
284S98.2Very high95.4Very high6 Ų642.6 Ų42.64%0.04225%0.246CC..THydrogen-bonded Turntrans-69.2155.9179.462.40000112.2S257 H258 N282 A286 D303 S305S257-S284 WeakPolarHBondContact CA-O 3.23Å; S257-S284 WeakPolarHBondContact CB-O 3.33Å; S257-S284 WeakPolarHBondContact CB-OG 3.31Å; H258-S284 PolarHBondContact N-O 3.08Å; H258-S284 VanDerWaalsContact N-O 3.15Å; N282-S284 VanDerWaalsContact OD1-CB 3.25Å; N282-S284 WeakPolarHBondContact OD1-CB 3.27Å; N282-S284 PolarHBondContact OD1-N 3.29Å; N282-S284 PolarHBondContact OD1-OG 3.12Å; S284-A286 PolarHBondContact O-N 3.09Å; S284-D303 PolarHBondContact N-O 3.22Å; S284-S305 WeakPolarHBondContact CA-O 3.02Å; S284-S305 WeakPolarHBondContact CB-O 3.3Å; S284-S305 WeakPolarHBondContact CB-OG 3.46Å
285F97.4Very high95.4Very high47 Ų4742 Ų4221%0.20625%0.246CC..THydrogen-bonded Turntrans54.127.5178.7-59.9-87.5000114.1H258 S305 C306 C352H258-F285 WeakPolarHBondContact CA-O 3.3Å; H258-F285 AromaticContact CE1-CD2 3.97Å; H258-F285 AromaticContact CE1-CG 3.63Å; H258-F285 AromaticContact NE2-CD2 3.87Å; H258-F285 AromaticContact NE2-CG 3.97Å; F285-S305 PolarHBondContact N-O 3.48Å; F285-C306 WeakPolarHBondContact CA-O 3.35Å; F285-C306 HydrophobicContact CD1-CB 3.67Å; F285-C306 HydrophobicContact CD2-CB 4.11Å; F285-C306 HydrophobicContact CE1-CB 3.4Å; F285-C306 VanDerWaalsContact CE1-CB 3.4Å; F285-C306 HydrophobicContact CE2-CB 3.84Å; F285-C306 HydrophobicContact CG-CB 4Å; F285-C306 HydrophobicContact CZ-CB 3.46Å; F285-C306 VanDerWaalsContact CZ-CB 3.46Å; F285-C306 WeakPolarHBondContact CZ-SG 3.14Å; F285-C306 PolarHBondContact N-O 3.47Å; F285-C352 HydrophobicContact CE1-CB 3.98Å; F285-C352 HydrophobicContact CZ-CB 4.4Å
286A97.3Very high95.5Very high3 Ų341 Ų413%0.02524%0.239CC..SBendtrans-96.30.4-172.700000113.9N259 L261 L283 S284 L288 N307N259-A286 CarbonylContact O-C 3.54Å; N259-A286 VanDerWaalsContact O-C 3.32Å; N259-A286 WeakPolarHBondContact O-CA 3.31Å; N259-A286 WeakPolarHBondContact O-CB 3.3Å; L261-A286 HydrophobicContact CB-CB 4.06Å; L261-A286 HydrophobicContact CD1-CB 3.68Å; L261-A286 HydrophobicContact CG-CB 3.85Å; L261-A286 PolarHBondContact N-O 2.85Å; L261-A286 VanDerWaalsContact N-O 3.12Å; L283-A286 VanDerWaalsContact O-CB 3.31Å; L283-A286 WeakPolarHBondContact O-CB 3.45Å; S284-A286 PolarHBondContact O-N 3.09Å; A286-L288 HydrophobicContact CB-CD1 4.07Å; A286-L288 HydrophobicContact CB-CG 4.01Å; A286-L288 PolarHBondContact O-N 3.14Å; A286-N307 WeakPolarHBondContact CA-OD1 3.22Å; A286-N307 PolarHBondContact N-OD1 3.11Å; A286-N307 VanDerWaalsContact N-OD1 3.07Å
287G96Very high95.6Very high32 Ų3239.1 Ų39.133%0.3323%0.231SC..  trans68.217.3-177.700000114.1E289 N307G287-E289 PolarHBondContact O-N 3.43Å; G287-N307 PolarHBondContact N-OD1 3.35Å; G287-N307 VanDerWaalsContact N-OD1 3.13Å
288L96.6Very high95.7Very high1 Ų143.9 Ų43.91%0.00525%0.245CC..  trans-65.4123.9-176.5-70.8164.2000111.4L261 L283 A286 P292 L304 N307 R308 L309L261-L288 HydrophobicContact CB-CD2 3.73Å; L261-L288 HydrophobicContact CB-CG 4.17Å; L283-L288 HydrophobicContact CB-CD1 4.07Å; A286-L288 HydrophobicContact CB-CD1 4.07Å; A286-L288 HydrophobicContact CB-CG 4.01Å; A286-L288 PolarHBondContact O-N 3.14Å; L288-P292 HydrophobicContact CD1-CG 4.33Å; L288-P292 HydrophobicContact CD2-CB 4.43Å; L288-P292 HydrophobicContact CD2-CG 4.35Å; L288-L304 HydrophobicContact CD1-CD2 3.97Å; L288-N307 HydrophobicContact CB-CB 4.12Å; L288-N307 WeakPolarHBondContact CB-OD1 3.42Å; L288-N307 PolarHBondContact N-OD1 2.75Å; L288-R308 CarbonylContact O-C 3.52Å; L288-R308 VanDerWaalsContact O-C 3.26Å; L288-R308 WeakPolarHBondContact O-CA 3.37Å; L288-R308 PolarHBondContact O-N 3.16Å; L288-L309 PolarHBondContact O-N 3.35Å
289E95.1Very high95.7Very high121 Ų12143.6 Ų43.657%0.56524%0.244SC*.SBendtrans-88.3-20.2174.2-63.5-178176.300112.7G287 R308G287-E289 PolarHBondContact O-N 3.43Å; E289-R308 HydrophobicContact CG-CB 4.07Å
290Q94.4Very high95.7Very high118 Ų11848.8 Ų48.855%0.55126%0.26SS*.SBendtrans-142.1157.8178.4-59.2176.843.400109.1A263A263-Q290 HydrophobicContact CB-CB 3.8Å
291V95.5Very high95.7Very high16 Ų1650 Ų5010%0.09727%0.266CS..PPolyproline II helixtrans-63.7127.2172.1-177.60000108.8L295 L304 P313 E317 L318V291-L295 HydrophobicContact CG1-CD1 3.67Å; V291-L304 HydrophobicContact CG2-CD1 4.35Å; V291-P313 HydrophobicContact CG2-CB 3.7Å; V291-P313 HydrophobicContact CG2-CG 3.68Å; V291-E317 HydrophobicContact CB-CB 4.37Å; V291-E317 WeakPolarHBondContact CG1-O 2.99Å; V291-L318 HydrophobicContact CG1-CD2 4.23Å; V291-L318 HydrophobicContact CG2-CD2 4.24Å
292P93.9Very high95.7Very high5 Ų550 Ų503%0.03227%0.266CS..PPolyproline II helixtrans-66.9143.8-177.325.8-33.2000111.3P237 A263 L283 L288 L295P237-P292 HydrophobicContact CG-CB 3.89Å; P237-P292 HydrophobicContact CG-CG 3.87Å; A263-P292 WeakPolarHBondContact O-CA 3.46Å; L283-P292 HydrophobicContact CD1-CG 3.96Å; L288-P292 HydrophobicContact CD1-CG 4.33Å; L288-P292 HydrophobicContact CD2-CB 4.43Å; L288-P292 HydrophobicContact CD2-CG 4.35Å; P292-L295 HydrophobicContact CG-CD1 4.4Å; P292-L295 HydrophobicContact CG-CD2 4.03Å; P292-L295 HydrophobicContact CG-CG 4.32Å; P292-L295 WeakPolarHBondContact O-CG 3.42Å
293K90.4Very high95.7Very high148 Ų14849.8 Ų49.864%0.64327%0.265SS*.SBendtrans-73.6153.6174.8-65.2-174.4179.8-178.10110.9T238 A263 A265T238-K293 WeakPolarHBondContact CG2-O 2.94Å; A263-K293 PolarHBondContact O-N 3.18Å; A265-K293 HydrophobicContact CB-CB 4.31Å
294G89.5Confident95.7Very high44 Ų4449.8 Ų49.845%0.45427%0.265SS..SBendtrans76.430173.900000114.1W274W274-G294 PolarHBondContact NE1-O 2.87Å
295L93.8Very high95.6Very high27 Ų2750.1 Ų50.114%0.14127%0.267CS..  trans-66.3157.4167.5-67.7178.2000111.5P237 L281 L283 V291 P292 L302P237-L295 HydrophobicContact CB-CD2 4.34Å; P237-L295 HydrophobicContact CG-CD2 4.48Å; L281-L295 HydrophobicContact CD2-CD2 3.78Å; L283-L295 HydrophobicContact CD1-CD2 3.89Å; V291-L295 HydrophobicContact CG1-CD1 3.67Å; P292-L295 HydrophobicContact CG-CD1 4.4Å; P292-L295 HydrophobicContact CG-CD2 4.03Å; P292-L295 HydrophobicContact CG-CG 4.32Å; P292-L295 WeakPolarHBondContact O-CG 3.42Å; L295-L302 HydrophobicContact CD1-CD2 4.41Å
296P93.8Very high95.6Very high8 Ų848.8 Ų48.85%0.05226%0.263CS..  trans-58.3143.6173.4-15.826.2000110.8W274 L278 K298 L299 P319W274-P296 HydrophobicContact CB-CB 3.94Å; W274-P296 HydrophobicContact CB-CG 4.04Å; W274-P296 HydrophobicContact CD2-CG 3.71Å; W274-P296 HydrophobicContact CE3-CG 4.34Å; W274-P296 HydrophobicContact CG-CB 3.88Å; W274-P296 HydrophobicContact CG-CG 3.56Å; L278-P296 HydrophobicContact CD2-CG 3.7Å; P296-K298 VanDerWaalsContact C-N 3.25Å; P296-K298 PolarHBondContact O-N 3.12Å; P296-L299 HydrophobicContact CB-CD2 4.31Å; P296-L299 HydrophobicContact CB-CG 4.27Å; P296-L299 HydrophobicContact CG-CD1 4.27Å; P296-L299 HydrophobicContact CG-CD2 4.12Å; P296-L299 HydrophobicContact CG-CG 4.27Å; P296-P319 WeakPolarHBondContact O-CB 3.48Å
297A92.8Very high95.6Very high88 Ų8849 Ų4973%0.72726%0.264SS*.SBendtrans-63.4-29.3-176.500000114.2Q320A297-Q320 PolarHBondContact O-N 3.45Å
298K95.4Very high95.6Very high132 Ų13254.9 Ų54.957%0.57428%0.277SS*.EExtended strand (participates in β ladder)trans-139.2137.7-179.6-175.8175.3-179.91750110.6P296 Q320P296-K298 VanDerWaalsContact C-N 3.25Å; P296-K298 PolarHBondContact O-N 3.12Å; K298-Q320 CarbonylContact C-O 3.55Å; K298-Q320 VanDerWaalsContact CA-O 3.3Å; K298-Q320 WeakPolarHBondContact CA-O 3.35Å; K298-Q320 HydrophobicContact CB-CB 4.48Å; K298-Q320 HydrophobicContact CG-CB 4.36Å
299L97.4Very high95.5Very high3 Ų355 Ų552%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-138.5157.7173.1-73170.8000109.5L278 L281 P296 L302 P319 Q320 V321L278-L299 HydrophobicContact CD2-CD2 4.41Å; L278-L299 HydrophobicContact CG-CD2 4.14Å; L281-L299 HydrophobicContact CB-CD1 3.81Å; L281-L299 HydrophobicContact CB-CD2 4.4Å; L281-L299 HydrophobicContact CD2-CD1 4.28Å; P296-L299 HydrophobicContact CB-CD2 4.31Å; P296-L299 HydrophobicContact CB-CG 4.27Å; P296-L299 HydrophobicContact CG-CD1 4.27Å; P296-L299 HydrophobicContact CG-CD2 4.12Å; P296-L299 HydrophobicContact CG-CG 4.27Å; L299-L302 HydrophobicContact CD1-CB 4.24Å; L299-L302 HydrophobicContact CD1-CD1 4.17Å; L299-P319 HydrophobicContact CD1-CG 4.22Å; L299-Q320 PolarHBondContact N-O 3.33Å; L299-V321 HydrophobicContact CB-CG2 4.31Å; L299-V321 WeakPolarHBondContact O-CA 3.04Å
300R97.9Very high95.4Very high162 Ų16255 Ų5561%0.61128%0.281SS*.EExtended strand (participates in β ladder)trans-85.1-42.2164.6-70.1-171.1172.5-168.6-1.9110.6N279 D322 N323N279-R300 HydrophobicContact CB-CB 4.43Å; N279-R300 HydrophobicContact CB-CG 4.28Å; N279-R300 WeakPolarHBondContact O-CA 3.47Å; N279-R300 WeakPolarHBondContact O-CB 3.43Å; N279-R300 PolarHBondContact O-N 3.23Å; R300-D322 WeakPolarHBondContact O-CB 3.45Å; R300-D322 PolarHBondContact O-N 3.31Å; R300-N323 PolarHBondContact O-N 2.94Å
301V98.4Very high95.4Very high51 Ų5154.2 Ų54.231%0.30927%0.273SS..EExtended strand (participates in β ladder)trans-129.5128.7-177.1-174.40000109.7N279 S280 L281 N323N279-V301 PolarHBondContact O-N 3.5Å; S280-V301 WeakPolarHBondContact CA-O 3.33Å; L281-V301 PolarHBondContact N-O 2.85Å; V301-N323 WeakPolarHBondContact CA-O 3.13Å; V301-N323 HydrophobicContact CG2-CB 4.39Å
302L98.5Very high95.3Very high0 Ų062.8 Ų62.80%030%0.304CS..EExtended strand (participates in β ladder)trans-129.6117.6169178.559000109L281 L283 L295 L299 L304 L318 P319 V321 N323 L324 T325L281-L302 HydrophobicContact CB-CD1 4.15Å; L281-L302 HydrophobicContact CD2-CD1 4.2Å; L281-L302 HydrophobicContact CG-CD1 4.28Å; L281-L302 WeakPolarHBondContact O-CA 3.42Å; L283-L302 HydrophobicContact CD1-CD1 4.17Å; L283-L302 HydrophobicContact CG-CD1 4.45Å; L295-L302 HydrophobicContact CD1-CD2 4.41Å; L299-L302 HydrophobicContact CD1-CB 4.24Å; L299-L302 HydrophobicContact CD1-CD1 4.17Å; L302-L304 HydrophobicContact CD1-CG 4.32Å; L302-L304 HydrophobicContact CD2-CD1 3.83Å; L302-L304 HydrophobicContact CD2-CG 4.37Å; L302-L304 HydrophobicContact CG-CD1 4.1Å; L302-L304 HydrophobicContact CG-CG 4.11Å; L302-L318 HydrophobicContact CD2-CD2 4.22Å; L302-P319 HydrophobicContact CD2-CG 3.79Å; L302-V321 HydrophobicContact CB-CG2 3.81Å; L302-N323 PolarHBondContact N-O 3.04Å; L302-L324 HydrophobicContact CB-CD1 4.13Å; L302-L324 HydrophobicContact CD2-CD1 4.06Å; L302-L324 HydrophobicContact CG-CD1 4.05Å; L302-L324 WeakPolarHBondContact O-CA 3.2Å; L302-T325 PolarHBondContact O-N 3Å
303D98.5Very high95.3Very high33 Ų3363.3 Ų63.318%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-102115.6173.7-167.3-14.4000110.2L281 N282 L283 S284 S305L281-D303 PolarHBondContact O-N 3.44Å; N282-D303 HydrophobicContact CB-CB 4.4Å; L283-D303 CarbonylContact C-O 3.59Å; L283-D303 WeakPolarHBondContact CA-O 3.39Å; L283-D303 PolarHBondContact N-O 3.05Å; S284-D303 PolarHBondContact N-O 3.22Å; D303-S305 WeakPolarHBondContact OD1-CB 3.02Å; D303-S305 PolarHBondContact OD1-N 2.02Å; D303-S305 PolarHBondContact OD1-OG 2.78Å
304L97.9Very high95.4Very high0 Ų063.1 Ų63.10%030%0.302CS..  trans-119.917.2176-80.7168.7000111.3L283 L288 V291 L302 N307 L318 L324 T325 L326 N329L283-L304 HydrophobicContact CB-CD2 3.94Å; L283-L304 HydrophobicContact CD1-CD2 3.97Å; L288-L304 HydrophobicContact CD1-CD2 3.97Å; V291-L304 HydrophobicContact CG2-CD1 4.35Å; L302-L304 HydrophobicContact CD1-CG 4.32Å; L302-L304 HydrophobicContact CD2-CD1 3.83Å; L302-L304 HydrophobicContact CD2-CG 4.37Å; L302-L304 HydrophobicContact CG-CD1 4.1Å; L302-L304 HydrophobicContact CG-CG 4.11Å; L304-N307 PolarHBondContact O-ND2 3.01Å; L304-L318 HydrophobicContact CD1-CD2 3.89Å; L304-L324 HydrophobicContact CD1-CD1 4.26Å; L304-T325 CarbonylContact C-O 3.54Å; L304-T325 WeakPolarHBondContact CA-O 3.35Å; L304-T325 PolarHBondContact N-O 3.19Å; L304-L326 HydrophobicContact CB-CD2 3.67Å; L304-L326 HydrophobicContact CD1-CD2 4.24Å; L304-N329 PolarHBondContact O-ND2 3.49Å
305S97.3Very high95.5Very high13 Ų1366.8 Ų66.89%0.09132%0.318CS..THydrogen-bonded Turntrans-63.2157.8-179.963.50000112.9S284 F285 D303 N307 T325 D327S284-S305 WeakPolarHBondContact CA-O 3.02Å; S284-S305 WeakPolarHBondContact CB-O 3.3Å; S284-S305 WeakPolarHBondContact CB-OG 3.46Å; F285-S305 PolarHBondContact N-O 3.48Å; D303-S305 WeakPolarHBondContact OD1-CB 3.02Å; D303-S305 PolarHBondContact OD1-N 2.02Å; D303-S305 PolarHBondContact OD1-OG 2.78Å; S305-N307 PolarHBondContact O-N 3.39Å; S305-N307 VanDerWaalsContact O-N 3.15Å; S305-N307 PolarHBondContact O-ND2 3.46Å; S305-T325 PolarHBondContact N-O 2.99Å; S305-D327 CarbonylContact C-O 3.58Å; S305-D327 WeakPolarHBondContact CA-O 3.43Å; S305-D327 VanDerWaalsContact CB-O 3.23Å; S305-D327 WeakPolarHBondContact CB-O 3.38Å
306C96.8Very high95.3Very high19 Ų1971.6 Ų71.613%0.12834%0.344CS..THydrogen-bonded Turntrans5340.8173-65.10000114.4F285 D327 C352F285-C306 WeakPolarHBondContact CA-O 3.35Å; F285-C306 HydrophobicContact CD1-CB 3.67Å; F285-C306 HydrophobicContact CD2-CB 4.11Å; F285-C306 HydrophobicContact CE1-CB 3.4Å; F285-C306 VanDerWaalsContact CE1-CB 3.4Å; F285-C306 HydrophobicContact CE2-CB 3.84Å; F285-C306 HydrophobicContact CG-CB 4Å; F285-C306 HydrophobicContact CZ-CB 3.46Å; F285-C306 VanDerWaalsContact CZ-CB 3.46Å; F285-C306 WeakPolarHBondContact CZ-SG 3.14Å; F285-C306 PolarHBondContact N-O 3.47Å; C306-D327 PolarHBondContact N-O 3.08Å; C306-C352 WeakPolarHBondContact CA-SG 3.5Å; C306-C352 HydrophobicContact CB-CB 3.88Å; C306-C352 WeakPolarHBondContact CB-SG 3.25Å; C306-C352 WeakPolarHBondContact SG-CA 3.29Å; C306-C352 WeakPolarHBondContact SG-CB 3.4Å; C306-C352 CovalentContact SG-SG 2.04Å; C306-C352 PolarHBondContact SG-SG 2.96Å
307N97.1Very high95.3Very high9 Ų973.8 Ų73.85%0.04835%0.353CS..SBendtrans-105-170.4171.9-80.9-61.6000110.6L283 A286 G287 L288 L304 S305 L309 N329 P330L283-N307 PolarHBondContact O-ND2 3.33Å; A286-N307 WeakPolarHBondContact CA-OD1 3.22Å; A286-N307 PolarHBondContact N-OD1 3.11Å; A286-N307 VanDerWaalsContact N-OD1 3.07Å; G287-N307 PolarHBondContact N-OD1 3.35Å; G287-N307 VanDerWaalsContact N-OD1 3.13Å; L288-N307 HydrophobicContact CB-CB 4.12Å; L288-N307 WeakPolarHBondContact CB-OD1 3.42Å; L288-N307 PolarHBondContact N-OD1 2.75Å; L304-N307 PolarHBondContact O-ND2 3.01Å; S305-N307 PolarHBondContact O-N 3.39Å; S305-N307 VanDerWaalsContact O-N 3.15Å; S305-N307 PolarHBondContact O-ND2 3.46Å; N307-L309 HydrophobicContact CB-CG 4.23Å; N307-N329 VanDerWaalsContact CA-OD1 3.31Å; N307-N329 WeakPolarHBondContact CA-OD1 3.33Å; N307-N329 WeakPolarHBondContact CB-OD1 3.45Å; N307-N329 PolarHBondContact N-OD1 3.33Å; N307-N329 PolarHBondContact O-OD1 3.33Å; N307-P330 WeakPolarHBondContact O-CD 3.4Å
308R96.2Very high95.4Very high155 Ų15571.3 Ų71.359%0.58533%0.328SS*.  trans-109.531-178.2-60.1-178.5-178.4-155.30.6111.7L288 E289 N310L288-R308 CarbonylContact O-C 3.52Å; L288-R308 VanDerWaalsContact O-C 3.26Å; L288-R308 WeakPolarHBondContact O-CA 3.37Å; L288-R308 PolarHBondContact O-N 3.16Å; E289-R308 HydrophobicContact CG-CB 4.07Å; R308-N310 PolarHBondContact O-N 2.63Å
309L95.6Very high95.3Very high4 Ų465.9 Ų65.92%0.02131%0.306CS..  trans-67.2117.6-179.4-56.6177.3000109.8L288 N307 P313 L326 N329 P330 F331L288-L309 PolarHBondContact O-N 3.35Å; N307-L309 HydrophobicContact CB-CG 4.23Å; L309-P313 HydrophobicContact CD1-CG 4.16Å; L309-L326 HydrophobicContact CD1-CD2 4.14Å; L309-N329 HydrophobicContact CB-CB 4.17Å; L309-N329 VanDerWaalsContact CB-OD1 3.3Å; L309-N329 WeakPolarHBondContact CB-OD1 3.48Å; L309-N329 WeakPolarHBondContact CG-OD1 3.39Å; L309-N329 PolarHBondContact N-OD1 2.97Å; L309-P330 WeakPolarHBondContact O-CD 3.13Å; L309-F331 HydrophobicContact CB-CD1 3.77Å; L309-F331 HydrophobicContact CB-CE1 3.94Å; L309-F331 HydrophobicContact CD1-CE1 4.25Å; L309-F331 VanDerWaalsContact O-CD1 3.32Å; L309-F331 WeakPolarHBondContact O-CD1 3.47Å; L309-F331 PolarHBondContact O-N 3.47Å; L309-F331 VanDerWaalsContact O-N 3.15Å
310N92.7Very high95.2Very high121 Ų12172.6 Ų72.665%0.64734%0.337SS*.  trans-91.5-5.5-178.7-68.3-39.4000113.8R308R308-N310 PolarHBondContact O-N 2.63Å
311R93.6Very high95.1Very high101 Ų10166.7 Ų66.738%0.38132%0.319SS..SBendtrans-141.5158.2172.464.217417682.9-4.2110.3E317 F331R311-E317 IonicContact CZ-OE1 3.31Å; R311-E317 VanDerWaalsContact CZ-OE1 3.31Å; R311-E317 IonicContact CZ-OE2 3.48Å; R311-E317 IonicContact NH1-OE1 2.89Å; R311-E317 PolarHBondContact NH1-OE1 3.03Å; R311-E317 VanDerWaalsContact NH1-OE1 3.16Å; R311-E317 IonicContact NH1-OE2 3.8Å; R311-E317 PolarHBondContact NH1-OE2 3.26Å; R311-E317 IonicContact NH2-OE1 2.63Å; R311-E317 PolarHBondContact NH2-OE1 3.13Å; R311-E317 IonicContact NH2-OE2 3.35Å; R311-E317 PolarHBondContact NH2-OE2 2.97Å; R311-F331 WeakPolarHBondContact O-CD1 3.44Å
312R93.6Very high95Very high196 Ų19670 Ų7074%0.7434%0.335SS*.PPolyproline II helixtrans-61.6131.2171.1-165.5169.9-1761701.2109.6F331R312-F331 HydrophobicContact CB-CD2 4.01Å; R312-F331 HydrophobicContact CB-CE2 4.03Å; R312-F331 HydrophobicContact CG-CD2 4.48Å; R312-F331 HydrophobicContact CG-CE2 4.01Å
313P94.8Very high95Very high15 Ų1574.4 Ų74.410%0.09736%0.359CS..PPolyproline II helixtrans-56.5141.4172.9-28.536.6000112V291 L309 L318 L326V291-P313 HydrophobicContact CG2-CB 3.7Å; V291-P313 HydrophobicContact CG2-CG 3.68Å; L309-P313 HydrophobicContact CD1-CG 4.16Å; P313-L318 HydrophobicContact CB-CD1 3.77Å; P313-L318 HydrophobicContact CB-CD2 4.06Å; P313-L318 HydrophobicContact CB-CG 3.81Å; P313-L326 HydrophobicContact CG-CD2 4.17Å
314R93.1Very high94.9Very high145 Ų14575.7 Ų75.755%0.54737%0.365SS..PPolyproline II helixtrans-82.5156.2175.5-62.2175.5176.9-176.90.4110.7D316 E317 L318R314-D316 WeakPolarHBondContact CB-OD1 3.49Å; R314-D316 PolarHBondContact O-N 2.91Å; R314-E317 HydrophobicContact CB-CG 4.18Å; R314-E317 PolarHBondContact N-OE2 3.43Å; R314-E317 WeakPolarHBondContact O-CB 3.35Å; R314-E317 PolarHBondContact O-N 3.44Å; R314-L318 PolarHBondContact O-N 3.31Å
315P90.8Very high94.9Very high120 Ų12077.6 Ų77.678%0.77938%0.377SS*.THydrogen-bonded Turntrans-57.1-32.1178.1-26.235.5000114.3E317P315-E317 VanDerWaalsContact C-N 3.32Å
316D90.3Very high94.9Very high129 Ų12978.1 Ų78.169%0.6938%0.378SS*.THydrogen-bonded Turntrans-77.1-15.1178.459.1-55.6000114R314R314-D316 WeakPolarHBondContact CB-OD1 3.49Å; R314-D316 PolarHBondContact O-N 2.91Å
317E92Very high94.8Very high54 Ų5482.1 Ų82.125%0.25240%0.399SS..THydrogen-bonded Turntrans-89.7-20.4177.2-66.6169.4174.500112.4V291 R311 R314 P315V291-E317 HydrophobicContact CB-CB 4.37Å; V291-E317 WeakPolarHBondContact CG1-O 2.99Å; R311-E317 IonicContact CZ-OE1 3.31Å; R311-E317 VanDerWaalsContact CZ-OE1 3.31Å; R311-E317 IonicContact CZ-OE2 3.48Å; R311-E317 IonicContact NH1-OE1 2.89Å; R311-E317 PolarHBondContact NH1-OE1 3.03Å; R311-E317 VanDerWaalsContact NH1-OE1 3.16Å; R311-E317 IonicContact NH1-OE2 3.8Å; R311-E317 PolarHBondContact NH1-OE2 3.26Å; R311-E317 IonicContact NH2-OE1 2.63Å; R311-E317 PolarHBondContact NH2-OE1 3.13Å; R311-E317 IonicContact NH2-OE2 3.35Å; R311-E317 PolarHBondContact NH2-OE2 2.97Å; R314-E317 HydrophobicContact CB-CG 4.18Å; R314-E317 PolarHBondContact N-OE2 3.43Å; R314-E317 WeakPolarHBondContact O-CB 3.35Å; R314-E317 PolarHBondContact O-N 3.44Å; P315-E317 VanDerWaalsContact C-N 3.32Å
318L94.9Very high94.7Very high36 Ų3683.2 Ų83.219%0.18841%0.412CS..SBendtrans-101.1149.2-177.1-70172.9000111V291 L302 L304 P313 R314 L324V291-L318 HydrophobicContact CG1-CD2 4.23Å; V291-L318 HydrophobicContact CG2-CD2 4.24Å; L302-L318 HydrophobicContact CD2-CD2 4.22Å; L304-L318 HydrophobicContact CD1-CD2 3.89Å; P313-L318 HydrophobicContact CB-CD1 3.77Å; P313-L318 HydrophobicContact CB-CD2 4.06Å; P313-L318 HydrophobicContact CB-CG 3.81Å; R314-L318 PolarHBondContact O-N 3.31Å; L318-L324 HydrophobicContact CD1-CD2 3.63Å; L318-L324 HydrophobicContact CD2-CD2 4.5Å
319P93.8Very high94.6Very high17 Ų1775.9 Ų75.911%0.1138%0.384CS..PPolyproline II helixtrans-73.2167.3168.235.7-37.7000111.3P296 L299 L302 V321P296-P319 WeakPolarHBondContact O-CB 3.48Å; L299-P319 HydrophobicContact CD1-CG 4.22Å; L302-P319 HydrophobicContact CD2-CG 3.79Å; P319-V321 PolarHBondContact O-N 2.89Å
320Q95.7Very high94.5Very high144 Ų14477.4 Ų77.467%0.67339%0.394SS*.EExtended strand (participates in β ladder)trans-65117.8165.8-67.3-174.9-0.900108.6A297 K298 L299A297-Q320 PolarHBondContact O-N 3.45Å; K298-Q320 CarbonylContact C-O 3.55Å; K298-Q320 VanDerWaalsContact CA-O 3.3Å; K298-Q320 WeakPolarHBondContact CA-O 3.35Å; K298-Q320 HydrophobicContact CB-CB 4.48Å; K298-Q320 HydrophobicContact CG-CB 4.36Å; L299-Q320 PolarHBondContact N-O 3.33Å
321V96.6Very high94.5Very high38 Ų3873.7 Ų73.723%0.2337%0.373CS..EExtended strand (participates in β ladder)trans-137.6136.8-173.7660000112L299 L302 P319 N323 L324L299-V321 HydrophobicContact CB-CG2 4.31Å; L299-V321 WeakPolarHBondContact O-CA 3.04Å; L302-V321 HydrophobicContact CB-CG2 3.81Å; P319-V321 PolarHBondContact O-N 2.89Å; V321-N323 VanDerWaalsContact CG2-O 3.24Å; V321-N323 WeakPolarHBondContact CG2-O 3.47Å; V321-L324 HydrophobicContact CG1-CB 3.87Å; V321-L324 HydrophobicContact CG1-CD2 4.43Å
322D96.3Very high94.3Very high122 Ų12272.9 Ų72.965%0.65238%0.375SS*.EExtended strand (participates in β ladder)trans-80.1-42.2178.5-56.1-29.4000111.4R300R300-D322 WeakPolarHBondContact O-CB 3.45Å; R300-D322 PolarHBondContact O-N 3.31Å
323N97.6Very high93.6Very high92 Ų9267.4 Ų67.449%0.49236%0.363SS..EExtended strand (participates in β ladder)trans-128.4117.2178.9-170.83.5000111.3R300 V301 L302 V321R300-N323 PolarHBondContact O-N 2.94Å; V301-N323 WeakPolarHBondContact CA-O 3.13Å; V301-N323 HydrophobicContact CG2-CB 4.39Å; L302-N323 PolarHBondContact N-O 3.04Å; V321-N323 VanDerWaalsContact CG2-O 3.24Å; V321-N323 WeakPolarHBondContact CG2-O 3.47Å
324L97.5Very high91.9Very high59 Ų5972.9 Ų72.931%0.30940%0.399SS..EExtended strand (participates in β ladder)trans-121119.6-177.9175.461.8000110.6L302 L304 L318 V321 L326L302-L324 HydrophobicContact CB-CD1 4.13Å; L302-L324 HydrophobicContact CD2-CD1 4.06Å; L302-L324 HydrophobicContact CG-CD1 4.05Å; L302-L324 WeakPolarHBondContact O-CA 3.2Å; L304-L324 HydrophobicContact CD1-CD1 4.26Å; L318-L324 HydrophobicContact CD1-CD2 3.63Å; L318-L324 HydrophobicContact CD2-CD2 4.5Å; V321-L324 HydrophobicContact CG1-CB 3.87Å; V321-L324 HydrophobicContact CG1-CD2 4.43Å; L324-L326 HydrophobicContact CD1-CD2 4.39Å; L324-L326 HydrophobicContact CD1-CG 4.25Å; L324-L326 HydrophobicContact CD2-CD1 3.86Å; L324-L326 HydrophobicContact CD2-CG 4.3Å; L324-L326 HydrophobicContact CG-CD1 4.1Å; L324-L326 HydrophobicContact CG-CG 4.02Å
325T97.6Very high90.2Very high40 Ų4069.6 Ų69.625%0.24541%0.41CS..EExtended strand (participates in β ladder)trans-102.8126.4175.9-47.10000110.2L302 L304 S305L302-T325 PolarHBondContact O-N 3Å; L304-T325 CarbonylContact C-O 3.54Å; L304-T325 WeakPolarHBondContact CA-O 3.35Å; L304-T325 PolarHBondContact N-O 3.19Å; S305-T325 PolarHBondContact N-O 2.99Å
326L96.6Very high88.3Confident25 Ų2568.1 Ų68.113%0.13140%0.399CS..  trans-128.64.8-179.2-71.3168.2000113.6L304 L309 P313 L324 N329 F331 L332L304-L326 HydrophobicContact CB-CD2 3.67Å; L304-L326 HydrophobicContact CD1-CD2 4.24Å; L309-L326 HydrophobicContact CD1-CD2 4.14Å; P313-L326 HydrophobicContact CG-CD2 4.17Å; L324-L326 HydrophobicContact CD1-CD2 4.39Å; L324-L326 HydrophobicContact CD1-CG 4.25Å; L324-L326 HydrophobicContact CD2-CD1 3.86Å; L324-L326 HydrophobicContact CD2-CG 4.3Å; L324-L326 HydrophobicContact CG-CD1 4.1Å; L324-L326 HydrophobicContact CG-CG 4.02Å; L326-N329 PolarHBondContact O-ND2 3.3Å; L326-F331 HydrophobicContact CB-CZ 4.03Å; L326-F331 HydrophobicContact CD1-CZ 4.09Å; L326-F331 HydrophobicContact CD2-CZ 4.48Å; L326-F331 HydrophobicContact CG-CZ 4.44Å; L326-L332 HydrophobicContact CB-CD1 4.48Å; L326-L332 WeakPolarHBondContact O-CD1 3.49Å
327D95.3Very high86.1Confident103 Ų10366.4 Ų66.455%0.55140%0.403SS*.THydrogen-bonded Turntrans-58.6147.4-172.4-65.5-28.2000112.6S305 C306 N329S305-D327 CarbonylContact C-O 3.58Å; S305-D327 WeakPolarHBondContact CA-O 3.43Å; S305-D327 VanDerWaalsContact CB-O 3.23Å; S305-D327 WeakPolarHBondContact CB-O 3.38Å; C306-D327 PolarHBondContact N-O 3.08Å; D327-N329 VanDerWaalsContact C-N 3.3Å; D327-N329 PolarHBondContact O-N 3.12Å
328G93.3Very high83.5Confident31 Ų3171.1 Ų71.132%0.3243%0.429SS..THydrogen-bonded Turntrans78.94177.600000116C352G328-C352 VanDerWaalsContact CA-SG 3.57Å
329N95.3Very high81Confident1 Ų175.4 Ų75.41%0.00546%0.459CS..  trans-79.4146170.4-79.2-79.5000112.4L304 N307 L309 L326 D327 F331 L332L304-N329 PolarHBondContact O-ND2 3.49Å; N307-N329 VanDerWaalsContact CA-OD1 3.31Å; N307-N329 WeakPolarHBondContact CA-OD1 3.33Å; N307-N329 WeakPolarHBondContact CB-OD1 3.45Å; N307-N329 PolarHBondContact N-OD1 3.33Å; N307-N329 PolarHBondContact O-OD1 3.33Å; L309-N329 HydrophobicContact CB-CB 4.17Å; L309-N329 VanDerWaalsContact CB-OD1 3.3Å; L309-N329 WeakPolarHBondContact CB-OD1 3.48Å; L309-N329 WeakPolarHBondContact CG-OD1 3.39Å; L309-N329 PolarHBondContact N-OD1 2.97Å; L326-N329 PolarHBondContact O-ND2 3.3Å; D327-N329 VanDerWaalsContact C-N 3.3Å; D327-N329 PolarHBondContact O-N 3.12Å; N329-F331 VanDerWaalsContact C-N 3.29Å; N329-F331 HydrophobicContact CB-CD1 3.6Å; N329-F331 HydrophobicContact CB-CE1 3.41Å; N329-F331 VanDerWaalsContact CB-CE1 3.41Å; N329-F331 HydrophobicContact CB-CZ 4.35Å; N329-F331 PolarHBondContact O-N 2.93Å; N329-L332 WeakPolarHBondContact O-CB 3.45Å; N329-L332 PolarHBondContact O-N 3.41Å; N329-L332 VanDerWaalsContact O-N 3.08Å
330P94.2Very high78.1Confident37 Ų3783.4 Ų83.424%0.2450%0.495CS..G310 helixtrans-54.1-35.6-178.8-28.933.3000115.6N307 L309 L332 V333N307-P330 WeakPolarHBondContact O-CD 3.4Å; L309-P330 WeakPolarHBondContact O-CD 3.13Å; P330-L332 PolarHBondContact O-N 3.03Å; P330-L332 VanDerWaalsContact O-N 3.15Å; P330-V333 PolarHBondContact O-N 2.97Å
331F92.1Very high75.5Confident43 Ų4386.1 Ų86.119%0.18951%0.507CS..G310 helixtrans-65-16.3-179.476.8-96.6000114.3L309 R311 R312 L326 N329L309-F331 HydrophobicContact CB-CD1 3.77Å; L309-F331 HydrophobicContact CB-CE1 3.94Å; L309-F331 HydrophobicContact CD1-CE1 4.25Å; L309-F331 VanDerWaalsContact O-CD1 3.32Å; L309-F331 WeakPolarHBondContact O-CD1 3.47Å; L309-F331 PolarHBondContact O-N 3.47Å; L309-F331 VanDerWaalsContact O-N 3.15Å; R311-F331 WeakPolarHBondContact O-CD1 3.44Å; R312-F331 HydrophobicContact CB-CD2 4.01Å; R312-F331 HydrophobicContact CB-CE2 4.03Å; R312-F331 HydrophobicContact CG-CD2 4.48Å; R312-F331 HydrophobicContact CG-CE2 4.01Å; L326-F331 HydrophobicContact CB-CZ 4.03Å; L326-F331 HydrophobicContact CD1-CZ 4.09Å; L326-F331 HydrophobicContact CD2-CZ 4.48Å; L326-F331 HydrophobicContact CG-CZ 4.44Å; N329-F331 VanDerWaalsContact C-N 3.29Å; N329-F331 HydrophobicContact CB-CD1 3.6Å; N329-F331 HydrophobicContact CB-CE1 3.41Å; N329-F331 VanDerWaalsContact CB-CE1 3.41Å; N329-F331 HydrophobicContact CB-CZ 4.35Å; N329-F331 PolarHBondContact O-N 2.93Å
332L88.6Confident72.9Confident84 Ų8487.9 Ų87.944%0.4453%0.534SS..G310 helixtrans-87.2-12.9176.1-67.4173.3000112.6L326 N329 P330 P334L326-L332 HydrophobicContact CB-CD1 4.48Å; L326-L332 WeakPolarHBondContact O-CD1 3.49Å; N329-L332 WeakPolarHBondContact O-CB 3.45Å; N329-L332 PolarHBondContact O-N 3.41Å; N329-L332 VanDerWaalsContact O-N 3.08Å; P330-L332 PolarHBondContact O-N 3.03Å; P330-L332 VanDerWaalsContact O-N 3.15Å; L332-P334 VanDerWaalsContact O-CD 3.32Å; L332-P334 WeakPolarHBondContact O-CD 3.03Å
333V80.1Confident69.7Low81 Ų8187.7 Ų87.749%0.49154%0.541SS..SBendtrans-86113.4177.4-175.10000108.5P330 G335 T336P330-V333 PolarHBondContact O-N 2.97Å; V333-G335 PolarHBondContact O-N 2.78Å; V333-T336 HydrophobicContact CB-CG2 4.41Å; V333-T336 HydrophobicContact CG1-CG2 4.34Å
334P57.9Low67.1Low129 Ų12991.7 Ų91.784%0.83856%0.56SS**THydrogen-bonded Turntrans-65.5123.3176.3-14.629.4000109.7L332L332-P334 VanDerWaalsContact O-CD 3.32Å; L332-P334 WeakPolarHBondContact O-CD 3.03Å
335G57Low64.4Low76 Ų7696.7 Ų96.778%0.78459%0.587SS**THydrogen-bonded Turntrans116.12.7170.800000117.6V333 A337V333-G335 PolarHBondContact O-N 2.78Å; G335-A337 VanDerWaalsContact C-N 3.32Å; G335-A337 PolarHBondContact O-N 2.76Å
336T52.3Low61.4Low90 Ų9099.5 Ų99.555%0.55261%0.608SS**  trans-87.57.8179.851.80000114.9V333 L338V333-T336 HydrophobicContact CB-CG2 4.41Å; V333-T336 HydrophobicContact CG1-CG2 4.34Å; T336-L338 PolarHBondContact O-N 3.44Å; T336-L338 VanDerWaalsContact O-N 3.09Å
337A43.4Very low58.6Low92 Ų92102.4 Ų102.476%0.7664%0.644SS**SBendtrans-79.189.8167.800000109.8G335G335-A337 VanDerWaalsContact C-N 3.32Å; G335-A337 PolarHBondContact O-N 2.76Å
338L37.3Very low56Low153 Ų153102.8 Ų102.880%0.80165%0.65SS**SBendtrans123141.2164.7-68.6159.4000113.7T336 Q340T336-L338 PolarHBondContact O-N 3.44Å; T336-L338 VanDerWaalsContact O-N 3.09Å; L338-Q340 PolarHBondContact O-N 3.38Å
339P41.8Very low53.5Low126 Ų126105.2 Ų105.282%0.81866%0.658SS**  trans-77.9112.6177.431.3-29000109.1
340Q33.8Very low51.6Low185 Ų185109.1 Ų109.186%0.86468%0.684SS**  trans-126.8121.5160.5-77.4-168.8-16.100109.5L338L338-Q340 PolarHBondContact O-N 3.38Å
341E41.4Very low50.1Low201 Ų201110.3 Ų110.394%0.93970%0.697SS**  trans-51.9138.8165.6-73.5177.1133.800110.5
342G41.2Very low48.9Very low76 Ų76109.5 Ų109.578%0.78470%0.696SS**  trans87.390.6158.400000115.4
343S30.2Very low47.2Very low117 Ų117107.2 Ų107.282%0.81869%0.689SS**  trans-161.4105.2131.8-164.40000109.8
344M41.6Very low45.6Very low177 Ų177112.8 Ų112.887%0.87270%0.701SS**  trans-63.1154.1156.5-79.4178.8160.800109.3
345N41.3Very low45Very low164 Ų164109.3 Ų109.388%0.87768%0.68SS**  trans83.878.9174.5-56.8-16.3000116.9
346S35.4Very low44.2Very low98 Ų98109.6 Ų109.669%0.68567%0.667SS**  trans-131.8113.9142.1-168.50000108.3V348S346-V348 PolarHBondContact O-N 3.3Å; S346-V348 WeakPolarHBondContact OG-CG2 3.23Å
347G37.2Very low43.6Very low87 Ų87112.3 Ų112.390%0.89768%0.677SS**  trans-70.328.5178.100000113.9V349G347-V349 PolarHBondContact O-N 2.85Å
348V39.8Very low43.1Very low110 Ų110113 Ų11367%0.66768%0.676SS**  trans-85.1100.2173.2-179.30000106.8S346 P350S346-V348 PolarHBondContact O-N 3.3Å; S346-V348 WeakPolarHBondContact OG-CG2 3.23Å; V348-P350 VanDerWaalsContact O-CD 3.29Å; V348-P350 WeakPolarHBondContact O-CD 3.42Å; V348-P350 VanDerWaalsContact O-N 3.16Å
349V41Very low43.2Very low83 Ų83110.3 Ų110.350%0.50367%0.666SS.*  trans-55.9118.6167.3179.20000107G347 A351 A353 R354G347-V349 PolarHBondContact O-N 2.85Å; V349-A351 PolarHBondContact O-N 3.31Å; V349-A353 HydrophobicContact CG1-CB 3.68Å; V349-R354 HydrophobicContact CG1-CG 4.2Å
350P56Low42.9Very low83 Ų83108 Ų10854%0.53967%0.665SS.*  trans-55.3142.3177.4-22.331.3000109.4V348 C352 A353V348-P350 VanDerWaalsContact O-CD 3.29Å; V348-P350 WeakPolarHBondContact O-CD 3.42Å; V348-P350 VanDerWaalsContact O-N 3.16Å; P350-C352 PolarHBondContact O-N 3.12Å; P350-A353 HydrophobicContact CB-CB 4.41Å; P350-A353 HydrophobicContact CG-CB 4.43Å; P350-A353 WeakPolarHBondContact O-CB 3.38Å; P350-A353 PolarHBondContact O-N 2.92Å
351A62.3Low42.8Very low62 Ų62105.3 Ų105.351%0.51266%0.661SS.*G310 helixtrans-48.2-32.2178.200000112.6V349V349-A351 PolarHBondContact O-N 3.31Å
352C67.3Low42.5Very low26 Ų26102.1 Ų102.118%0.17666%0.661CS.*G310 helixtrans-79.4-18.4179.9-540000115.4F285 C306 G328 P350 R354 S355F285-C352 HydrophobicContact CE1-CB 3.98Å; F285-C352 HydrophobicContact CZ-CB 4.4Å; C306-C352 WeakPolarHBondContact CA-SG 3.5Å; C306-C352 HydrophobicContact CB-CB 3.88Å; C306-C352 WeakPolarHBondContact CB-SG 3.25Å; C306-C352 WeakPolarHBondContact SG-CA 3.29Å; C306-C352 WeakPolarHBondContact SG-CB 3.4Å; C306-C352 CovalentContact SG-SG 2.04Å; C306-C352 PolarHBondContact SG-SG 2.96Å; G328-C352 VanDerWaalsContact CA-SG 3.57Å; P350-C352 PolarHBondContact O-N 3.12Å; C352-R354 VanDerWaalsContact C-N 3.28Å; C352-R354 PolarHBondContact O-N 3.05Å; C352-S355 PolarHBondContact O-N 3.25Å
353A52.6Low42Very low36 Ų36101.1 Ų101.130%0.29865%0.651SS.*G310 helixtrans-76.5-15.6179.100000112.8V349 P350 T356V349-A353 HydrophobicContact CG1-CB 3.68Å; P350-A353 HydrophobicContact CB-CB 4.41Å; P350-A353 HydrophobicContact CG-CB 4.43Å; P350-A353 WeakPolarHBondContact O-CB 3.38Å; P350-A353 PolarHBondContact O-N 2.92Å; A353-T356 PolarHBondContact O-OG1 3.42Å
354R46.2Very low42.1Very low197 Ų197101.9 Ų101.974%0.74365%0.65SS**THydrogen-bonded Turntrans-79.6-25.5171.8-70.8-176.4174.6175.6-1.5112.8V349 C352V349-R354 HydrophobicContact CG1-CG 4.2Å; C352-R354 VanDerWaalsContact C-N 3.28Å; C352-R354 PolarHBondContact O-N 3.05Å
355S45.6Very low41.5Very low56 Ų56101 Ų10139%0.39265%0.649SS.*THydrogen-bonded Turntrans-89.4-16.9-176.5-63.40000114.3C352 L357 S358C352-S355 PolarHBondContact O-N 3.25Å; S355-L357 PolarHBondContact O-N 2.93Å; S355-S358 PolarHBondContact O-OG 3.45Å
356T41.4Very low40.9Very low83 Ų8398.9 Ų98.951%0.50964%0.641SS.*G310 helixtrans-73.9-12.7174.848.60000113.4A353A353-T356 PolarHBondContact O-OG1 3.42Å
357L38.3Very low40.6Very low147 Ų147100.9 Ų100.977%0.7764%0.644SS**G310 helixtrans-86.5-3.6-178-79.3162.7000114.4S355 V359S355-L357 PolarHBondContact O-N 2.93Å; L357-V359 VanDerWaalsContact C-N 3.33Å
358S33.6Very low40.2Very low106 Ų106104.9 Ų104.974%0.74164%0.643SS**G310 helixtrans-89.41.7171.360.70000113.6S355S355-S358 PolarHBondContact O-OG 3.45Å
359V40Very low39.8Very low96 Ų96108 Ų10858%0.58265%0.651SS**SBendtrans-89.8101.9165.7-177.40000106.4L357 V361L357-V359 VanDerWaalsContact C-N 3.33Å; V359-V361 PolarHBondContact O-N 3.5Å
360G35.8Very low39.2Very low78 Ų78107.9 Ų107.980%0.80467%0.667SS**  trans-54.1109.9-178.500000111.6
361V30.1Very low37.9Very low128 Ų128108.8 Ų108.878%0.77668%0.681SS**  trans-109.584.5162-174.60000106.3V359 G363V359-V361 PolarHBondContact O-N 3.5Å; V361-G363 PolarHBondContact O-N 3.31Å
362S35.2Very low36.4Very low135 Ų135116.8 Ų116.894%0.94470%0.698SS**  trans-78.1102.6148.6-167.90000105.2
363G30.3Very low34.5Very low54 Ų54118.9 Ų118.956%0.55772%0.723SS**  trans-159111.4-174.400000109.2V361V361-G363 PolarHBondContact O-N 3.31Å
364T33.9Very low33.4Very low133 Ų133126.7 Ų126.782%0.81675%0.751SS**  trans-53.1134.3-175.736.20000113.7V366T364-V366 PolarHBondContact O-N 3.07Å; T364-V366 VanDerWaalsContact O-N 3.12Å
365L27.4Very low32.8Very low160 Ų160126 Ų12684%0.83879%0.787SS**  trans-64.7101.8166.9-100.1146.5000109.6L367L365-L367 PolarHBondContact O-N 3.18Å
366V29.8Very low32.1Very low119 Ų119129.5 Ų129.572%0.72181%0.807SS**  trans-87.2102161.4177.30000107.7T364 L368T364-V366 PolarHBondContact O-N 3.07Å; T364-V366 VanDerWaalsContact O-N 3.12Å; V366-L368 PolarHBondContact O-N 3.44Å
367L29.6Very low31.7Very low140 Ų140131.9 Ų131.973%0.73382%0.823SS**  trans-69.7102.2169.4-79.6162.6000109.4L365 Q369L365-L367 PolarHBondContact O-N 3.18Å; L367-Q369 PolarHBondContact O-N 3.04Å
368L28.7Very low31.3Very low170 Ų170131.1 Ų131.189%0.8983%0.825SS**  trans-75.694.9161.2-82.5161.1000108.7V366V366-L368 PolarHBondContact O-N 3.44Å
369Q31.3Very low31.2Very low176 Ų176132.5 Ų132.582%0.82283%0.83SS**  trans-82.3116.6161.5-81.3-175.5-14.800109.2L367L367-Q369 PolarHBondContact O-N 3.04Å
370G27Very low30.6Very low81 Ų81134.8 Ų134.884%0.83585%0.846SS**  trans-67.3126.8170.600000111.5
371A29.3Very low30.3Very low101 Ų101138.6 Ų138.684%0.83585%0.849SS**  trans-93.5112.2162.300000108.6
372R30.6Very low30.3Very low231 Ų231139.4 Ų139.487%0.87285%0.854SS**  trans-56.8132.9166.4-80.3173.4165.5168.8-5109.7
373G27.3Very low29.9Very low69 Ų69139.7 Ų139.771%0.71185%0.847SS**  trans-67.9132.6163.400000111.1
374F30.5Very low29.9Very low200 Ų200146.8 Ų146.888%0.87787%0.871SS**  trans-153.697.6153.4-87.1-71.4000107.7
375A32.9Very low29.5Very low182 Ų182148.1 Ų148.1100%1.50488%0.876SS**  trans179.10143.100000107.7

Retrieved 375 of 375 residues in 263.7 ms (Link to these results)