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Isoform 2 of T-complex protein 1 subunit beta AlphaSync

Canonical isoform description: Component of the chaperonin-containing T-complex (TRiC), a molecular chaperone complex that assists the folding of actin, tubulin and other proteins upon ATP hydrolysis1,2,3,4. The TRiC complex mediates the folding of WRAP53/TCAB1, thereby regulating telomere maintenance5. As part of the TRiC complex may play a role in the assembly of BBSome, a complex involved in ciliogenesis regulating transports vesicles to the cilia6.

AlphaFold DB , UniProt , Accession P78371-2 (canonical: P78371), Species HUMAN (Homo sapiens, Human), Gene CCT2, Length 488 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
1M83.8Confident79.9Confident215 Ų215119.3 Ų119.3100%1.05963%0.631SS**  0136.70-73.3-165.1-73.100108.4
2D86.4Confident78.7Confident74 Ų74115.3 Ų115.340%0.39663%0.627SS.*  trans-71.8155.4-179.1-52.9-18.3000111.1V16 N18D2-V16 HydrophobicContact CB-CG1 4.25Å; D2-N18 VanDerWaalsContact OD1-CB 3.31Å; D2-N18 WeakPolarHBondContact OD1-CB 3.4Å; D2-N18 PolarHBondContact OD1-ND2 3.38Å
3K89.8Confident78.6Confident110 Ų110111.5 Ų111.548%0.47862%0.615SS.*EExtended strand (participates in β ladder)trans-112.9141176.8-59.1-165.3-167.8-620110.5L5 V16 T17 I23K3-L5 HydrophobicContact CB-CD2 4.35Å; K3-V16 WeakPolarHBondContact O-CA 3.24Å; K3-T17 PolarHBondContact N-O 3.28Å; K3-T17 PolarHBondContact O-N 3.31Å; K3-I23 HydrophobicContact CB-CD1 4.16Å; K3-I23 HydrophobicContact CB-CG1 4.32Å; K3-I23 HydrophobicContact CD-CD1 3.79Å; K3-I23 HydrophobicContact CD-CG1 4.23Å; K3-I23 HydrophobicContact CD-CG2 3.94Å; K3-I23 HydrophobicContact CG-CD1 3.91Å
4I89.5Confident79Confident118 Ų118109.6 Ų109.661%0.60560%0.603SS**EExtended strand (participates in β ladder)trans-95.4119171.4-57.2177.9000107.8L14 V16I4-L14 HydrophobicContact CG2-CD1 3.4Å; I4-V16 HydrophobicContact CG1-CG2 4.31Å
5L87.5Confident79.3Confident23 Ų23106.1 Ų106.112%0.1258%0.581CS.*EExtended strand (participates in β ladder)trans-108.4123.7-179.5-52174000108.5K3 M15 T17 I23 N26K3-L5 HydrophobicContact CB-CD2 4.35Å; L5-M15 HydrophobicContact CB-CB 4.34Å; L5-M15 PolarHBondContact N-O 3.34Å; L5-M15 PolarHBondContact O-N 2.79Å; L5-T17 HydrophobicContact CD1-CG2 3.85Å; L5-I23 HydrophobicContact CD1-CG1 4.3Å; L5-N26 HydrophobicContact CD1-CB 3.88Å
6L86.4Confident79.9Confident130 Ų130102.3 Ų102.368%0.68156%0.562SS**EExtended strand (participates in β ladder)trans-113.8109.2177.8-73.6167.1000108.5L14L6-L14 HydrophobicContact CD2-CB 4.46Å; L6-L14 HydrophobicContact CD2-CD1 3.46Å; L6-L14 VanDerWaalsContact CD2-CD1 3.46Å; L6-L14 HydrophobicContact CG-CD1 4.16Å
7S80.9Confident80.3Confident60 Ų6096.3 Ų96.342%0.4253%0.529SS..  trans-72.6139.1176.3-171.70000111.1S13S7-S13 PolarHBondContact N-O 3.11Å
8S75.2Confident80.7Confident126 Ų12693.1 Ų93.188%0.88151%0.511SS*.  trans-87.7108.1174.5-65.80000109.8
9G72.9Confident81Confident53 Ų5388.8 Ų88.855%0.54649%0.488SS..SBendtrans177.8174.7-179.400000112.1D11G9-D11 PolarHBondContact O-N 3.07Å
10R61.2Low81.3Confident256 Ų25684.8 Ų84.897%0.96647%0.467SS*.SBendtrans-64.2-28174.1-73.4-173.9178.1-175.9-0.4112.1
11D64.8Low81.6Confident147 Ų14781.2 Ų81.279%0.78645%0.449SS*.SBendtrans-103.573.6172.5-57.9-38000108.7G9 S13G9-D11 PolarHBondContact O-N 3.07Å; D11-S13 PolarHBondContact O-N 3.16Å
12A66.4Low81.7Confident71 Ų7171.8 Ų71.859%0.58740%0.404SS*.  trans-65.784.7176.900000110.1L14A12-L14 PolarHBondContact O-N 3.1Å
13S77.2Confident82Confident67 Ų6769 Ų6947%0.46939%0.389SS..  trans-75.5122.6175.161.50000109.6S7 D11S7-S13 PolarHBondContact N-O 3.11Å; D11-S13 PolarHBondContact O-N 3.16Å
14L84.3Confident82Confident85 Ų8565.5 Ų65.545%0.44538%0.375SS..EExtended strand (participates in β ladder)trans-84.3121.5168.8179.878000108.7I4 L6 A12I4-L14 HydrophobicContact CG2-CD1 3.4Å; L6-L14 HydrophobicContact CD2-CB 4.46Å; L6-L14 HydrophobicContact CD2-CD1 3.46Å; L6-L14 VanDerWaalsContact CD2-CD1 3.46Å; L6-L14 HydrophobicContact CG-CD1 4.16Å; A12-L14 PolarHBondContact O-N 3.1Å
15M83.9Confident81.9Confident56 Ų5667.4 Ų67.428%0.27638%0.379SS..EExtended strand (participates in β ladder)trans-120.3132.4173.2-173.6178.9-67.200109.5L5 T22 R341L5-M15 HydrophobicContact CB-CB 4.34Å; L5-M15 PolarHBondContact N-O 3.34Å; L5-M15 PolarHBondContact O-N 2.79Å; M15-T22 HydrophobicContact SD-CG2 3.36Å; M15-T22 WeakPolarHBondContact SD-CG2 3.45Å; M15-R341 PolarHBondContact SD-NH2 3.02Å; M15-R341 VanDerWaalsContact SD-NH2 3.4Å
16V87.6Confident81.8Confident46 Ų4670 Ų7028%0.27939%0.393SS..EExtended strand (participates in β ladder)trans-113.7124.2172.7-175.40000106.7D2 K3 I4D2-V16 HydrophobicContact CB-CG1 4.25Å; K3-V16 WeakPolarHBondContact O-CA 3.24Å; I4-V16 HydrophobicContact CG1-CG2 4.31Å
17T87.5Confident81.8Confident0 Ų067.8 Ų67.80%038%0.381CS..EExtended strand (participates in β ladder)trans-154.5152.4-179.1-168.50000113.5K3 L5 D19 T22 I23 E338 R341K3-T17 PolarHBondContact N-O 3.28Å; K3-T17 PolarHBondContact O-N 3.31Å; L5-T17 HydrophobicContact CD1-CG2 3.85Å; T17-D19 PolarHBondContact OG1-N 3.48Å; T17-D19 VanDerWaalsContact OG1-N 3.15Å; T17-T22 HydrophobicContact CG2-CG2 3.57Å; T17-I23 HydrophobicContact CG2-CG1 3.82Å; T17-E338 WeakPolarHBondContact CA-OE1 3.47Å; T17-E338 WeakPolarHBondContact CA-OE2 3.32Å; T17-E338 VanDerWaalsContact CB-OE2 3.25Å; T17-E338 WeakPolarHBondContact CB-OE2 3.44Å; T17-E338 PolarHBondContact OG1-OE1 3.33Å; T17-E338 PolarHBondContact OG1-OE2 2.91Å; T17-R341 VanDerWaalsContact CB-NH1 3.33Å; T17-R341 PolarHBondContact OG1-NH1 3.1Å; T17-R341 VanDerWaalsContact OG1-NH1 3.08Å
18N86.9Confident81.9Confident39 Ų3968.7 Ų68.721%0.20940%0.399CS..  trans-95.4-19.6168.2-160.9-67.5000112.4D2 G20 S122 E338D2-N18 VanDerWaalsContact OD1-CB 3.31Å; D2-N18 WeakPolarHBondContact OD1-CB 3.4Å; D2-N18 PolarHBondContact OD1-ND2 3.38Å; N18-G20 PolarHBondContact O-N 2.87Å; N18-S122 PolarHBondContact ND2-O 3.39Å; N18-E338 PolarHBondContact N-OE1 3.1Å
19D85.9Confident82.4Confident12 Ų1264.4 Ų64.46%0.06437%0.368CS..  trans-68.3126.9-170.4169.443.1000112.8T17 A21 T22 I23 T52T17-D19 PolarHBondContact OG1-N 3.48Å; T17-D19 VanDerWaalsContact OG1-N 3.15Å; D19-A21 PolarHBondContact O-N 3.02Å; D19-A21 PolarHBondContact OD1-N 2.85Å; D19-T22 PolarHBondContact O-N 3.32Å; D19-T22 WeakPolarHBondContact OD2-CB 3.42Å; D19-T22 PolarHBondContact OD2-N 3.48Å; D19-T22 PolarHBondContact OD2-OG1 3.35Å; D19-I23 WeakPolarHBondContact O-CB 3.49Å; D19-I23 WeakPolarHBondContact O-CD1 3.5Å; D19-I23 WeakPolarHBondContact O-CG1 3.43Å; D19-I23 PolarHBondContact O-N 3.2Å; D19-T52 PolarHBondContact OD1-OG1 3.03Å
20G87.6Confident83Confident8 Ų869.1 Ų69.18%0.08238%0.381CS..Hα-helixtrans-61.9-41.6-178.800000113N18 I23 L24N18-G20 PolarHBondContact O-N 2.87Å; G20-I23 PolarHBondContact O-N 3.18Å; G20-L24 WeakPolarHBondContact O-CB 3.18Å; G20-L24 VanDerWaalsContact O-CG 3.27Å; G20-L24 WeakPolarHBondContact O-CG 3.42Å; G20-L24 PolarHBondContact O-N 3.41Å
21A87.1Confident84.3Confident9 Ų961 Ų617%0.07436%0.356CS..Hα-helixtrans-67.3-45.2-178.600000111D19 I23 L24 K25 S41 D45 T52D19-A21 PolarHBondContact O-N 3.02Å; D19-A21 PolarHBondContact OD1-N 2.85Å; A21-I23 PolarHBondContact O-N 3.29Å; A21-L24 PolarHBondContact O-N 3.48Å; A21-K25 VanDerWaalsContact O-CB 3.27Å; A21-K25 WeakPolarHBondContact O-CB 3.4Å; A21-K25 PolarHBondContact O-N 3.06Å; A21-S41 WeakPolarHBondContact CA-OG 3.48Å; A21-D45 HydrophobicContact CB-CB 3.96Å; A21-T52 HydrophobicContact CB-CG2 3.81Å
22T87.3Confident85.5Confident18 Ų1856.9 Ų56.911%0.1134%0.338CS..Hα-helixtrans-59.8-45.3174.6-63.20000111.5M15 T17 D19 N26 R341M15-T22 HydrophobicContact SD-CG2 3.36Å; M15-T22 WeakPolarHBondContact SD-CG2 3.45Å; T17-T22 HydrophobicContact CG2-CG2 3.57Å; D19-T22 PolarHBondContact O-N 3.32Å; D19-T22 WeakPolarHBondContact OD2-CB 3.42Å; D19-T22 PolarHBondContact OD2-N 3.48Å; D19-T22 PolarHBondContact OD2-OG1 3.35Å; T22-N26 PolarHBondContact O-N 3.48Å; T22-N26 PolarHBondContact O-ND2 2.96Å; T22-R341 PolarHBondContact OG1-NE 3.05Å
23I91.1Very high86.7Confident16 Ų1655 Ų558%0.08232%0.322CS..Hα-helixtrans-59.7-52.3177.3-70.9161.6000110.3K3 L5 T17 D19 G20 A21 K25 N26 I27K3-I23 HydrophobicContact CB-CD1 4.16Å; K3-I23 HydrophobicContact CB-CG1 4.32Å; K3-I23 HydrophobicContact CD-CD1 3.79Å; K3-I23 HydrophobicContact CD-CG1 4.23Å; K3-I23 HydrophobicContact CD-CG2 3.94Å; K3-I23 HydrophobicContact CG-CD1 3.91Å; L5-I23 HydrophobicContact CD1-CG1 4.3Å; T17-I23 HydrophobicContact CG2-CG1 3.82Å; D19-I23 WeakPolarHBondContact O-CB 3.49Å; D19-I23 WeakPolarHBondContact O-CD1 3.5Å; D19-I23 WeakPolarHBondContact O-CG1 3.43Å; D19-I23 PolarHBondContact O-N 3.2Å; G20-I23 PolarHBondContact O-N 3.18Å; A21-I23 PolarHBondContact O-N 3.29Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 3.31Å; I23-N26 PolarHBondContact O-N 3.17Å; I23-I27 HydrophobicContact CG2-CD1 3.64Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.49Å; I23-I27 PolarHBondContact O-N 3.27Å
24L90.6Very high87.5Confident35 Ų3553.3 Ų53.318%0.18331%0.312CS..Hα-helixtrans-65-35.7-176-72.2174.1000112.9G20 A21 N26 V38 T56G20-L24 WeakPolarHBondContact O-CB 3.18Å; G20-L24 VanDerWaalsContact O-CG 3.27Å; G20-L24 WeakPolarHBondContact O-CG 3.42Å; G20-L24 PolarHBondContact O-N 3.41Å; A21-L24 PolarHBondContact O-N 3.48Å; L24-N26 VanDerWaalsContact C-N 3.33Å; L24-N26 PolarHBondContact O-N 3.03Å; L24-V38 HydrophobicContact CB-CB 4.44Å; L24-V38 HydrophobicContact CB-CG1 4.18Å; L24-V38 HydrophobicContact CB-CG2 4.02Å; L24-V38 HydrophobicContact CD2-CG2 4.46Å; L24-T56 HydrophobicContact CD1-CG2 4.01Å; L24-T56 WeakPolarHBondContact CD1-OG1 3.22Å
25K86.9Confident87.8Confident159 Ų15954.4 Ų54.469%0.69131%0.313SS*.Hα-helixtrans-66.8-32.9177.1-176.6177.4178.7179.30113.2A21 I23A21-K25 VanDerWaalsContact O-CB 3.27Å; A21-K25 WeakPolarHBondContact O-CB 3.4Å; A21-K25 PolarHBondContact O-N 3.06Å; I23-K25 VanDerWaalsContact C-N 3.34Å; I23-K25 PolarHBondContact O-N 3.31Å
26N86.6Confident88.2Confident77 Ų7753.5 Ų53.541%0.41231%0.311SS..Hα-helixtrans-89.4-13.7-177.2-78.2-77.1000113.3L5 T22 I23 L24L5-N26 HydrophobicContact CD1-CB 3.88Å; T22-N26 PolarHBondContact O-N 3.48Å; T22-N26 PolarHBondContact O-ND2 2.96Å; I23-N26 PolarHBondContact O-N 3.17Å; L24-N26 VanDerWaalsContact C-N 3.33Å; L24-N26 PolarHBondContact O-N 3.03Å
27I85.9Confident88.5Confident84 Ų8452.8 Ų52.843%0.43131%0.305SS..SBendtrans-80.3125.1174.3-65.5165000108.9I23 V29I23-I27 HydrophobicContact CG2-CD1 3.64Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.49Å; I23-I27 PolarHBondContact O-N 3.27Å; I27-V29 HydrophobicContact CB-CG2 4.25Å; I27-V29 HydrophobicContact CG2-CG2 3.7Å; I27-V29 PolarHBondContact O-N 2.9Å
28G82.9Confident88.7Confident79 Ų7954.1 Ų54.181%0.81431%0.313SS*.  trans-71.196172.400000111.1
29V85.2Confident89Confident36 Ų3656.5 Ų56.522%0.21833%0.326CS..  trans-101.9118.7-177.7-175.60000111.6I27 N31 A34 K35 V38I27-V29 HydrophobicContact CB-CG2 4.25Å; I27-V29 HydrophobicContact CG2-CG2 3.7Å; I27-V29 PolarHBondContact O-N 2.9Å; V29-N31 HydrophobicContact CG1-CB 4.48Å; V29-A34 HydrophobicContact CG1-CB 3.35Å; V29-K35 WeakPolarHBondContact O-CE 3.37Å; V29-V38 HydrophobicContact CG2-CG2 4.46Å
30D86.2Confident89.3Confident152 Ų15258.1 Ų58.181%0.81333%0.334SS*.  trans-88.6-24.4176.9-73.3-29.6000113.8P32D30-P32 WeakPolarHBondContact O-CD 3.29Å
31N89.1Confident89.5Confident86 Ų8657.8 Ų57.846%0.4633%0.33SS..  trans-74.2122.2-177.6-174.4-20.1000111.1V29 A33 A34 K35V29-N31 HydrophobicContact CG1-CB 4.48Å; N31-A33 VanDerWaalsContact C-N 3.31Å; N31-A33 PolarHBondContact O-N 3.07Å; N31-A33 PolarHBondContact OD1-N 3.32Å; N31-A34 HydrophobicContact CB-CB 4.17Å; N31-A34 PolarHBondContact O-N 3.11Å; N31-A34 VanDerWaalsContact O-N 3.12Å; N31-K35 PolarHBondContact O-N 3.14Å
32P90.3Very high89.7Confident60 Ų6064.3 Ų64.339%0.3935%0.353SS..Hα-helixtrans-55.9-39178.2-25.434.3000114.3D30 A34 K35 V36 I473D30-P32 WeakPolarHBondContact O-CD 3.29Å; P32-A34 VanDerWaalsContact C-N 3.29Å; P32-A34 PolarHBondContact O-N 2.93Å; P32-K35 WeakPolarHBondContact O-CB 3.38Å; P32-K35 PolarHBondContact O-N 2.83Å; P32-V36 PolarHBondContact O-N 2.67Å; P32-V36 VanDerWaalsContact O-N 3.13Å; P32-I473 HydrophobicContact CG-CG2 4.47Å
33A91.6Very high89.9Confident32 Ų3266.3 Ų66.326%0.26437%0.365SS..Hα-helixtrans-64.8-37179.500000111.6N31 V36 L37 I467N31-A33 VanDerWaalsContact C-N 3.31Å; N31-A33 PolarHBondContact O-N 3.07Å; N31-A33 PolarHBondContact OD1-N 3.32Å; A33-V36 WeakPolarHBondContact O-CB 3.32Å; A33-V36 PolarHBondContact O-N 2.96Å; A33-L37 PolarHBondContact O-N 3.42Å; A33-I467 HydrophobicContact CB-CD1 4.44Å; A33-I467 HydrophobicContact CB-CG1 4.44Å; A33-I467 HydrophobicContact CB-CG2 4.45Å
34A92.2Very high90Very high31 Ų3165.5 Ų65.526%0.25636%0.361SS..Hα-helixtrans-74.3-30.2176.900000111.7V29 N31 P32 V36 L37 V38V29-A34 HydrophobicContact CG1-CB 3.35Å; N31-A34 HydrophobicContact CB-CB 4.17Å; N31-A34 PolarHBondContact O-N 3.11Å; N31-A34 VanDerWaalsContact O-N 3.12Å; P32-A34 VanDerWaalsContact C-N 3.29Å; P32-A34 PolarHBondContact O-N 2.93Å; A34-V36 VanDerWaalsContact C-N 3.32Å; A34-V36 PolarHBondContact O-N 3.22Å; A34-L37 WeakPolarHBondContact O-CB 3.45Å; A34-L37 PolarHBondContact O-N 3.1Å; A34-V38 WeakPolarHBondContact O-CG2 3.49Å; A34-V38 PolarHBondContact O-N 3.4Å
35K92.1Very high89.9Confident107 Ų10765.6 Ų65.647%0.46536%0.362SS..Hα-helixtrans-60.6-39.5169.1-69-175.9179.5-1770112.6V29 N31 P32 L37 V38 D39V29-K35 WeakPolarHBondContact O-CE 3.37Å; N31-K35 PolarHBondContact O-N 3.14Å; P32-K35 WeakPolarHBondContact O-CB 3.38Å; P32-K35 PolarHBondContact O-N 2.83Å; K35-L37 VanDerWaalsContact C-N 3.28Å; K35-L37 PolarHBondContact O-N 3.44Å; K35-V38 WeakPolarHBondContact O-CB 3.33Å; K35-V38 PolarHBondContact O-N 3.32Å; K35-V38 VanDerWaalsContact O-N 3.12Å; K35-D39 PolarHBondContact O-N 3.35Å
36V92.5Very high90Very high38 Ų3863.2 Ų63.223%0.2336%0.356CS..Hα-helixtrans-56.7-44.2173.6176.10000110.5P32 A33 A34 V38 D39 M40 V466 I467P32-V36 PolarHBondContact O-N 2.67Å; P32-V36 VanDerWaalsContact O-N 3.13Å; A33-V36 WeakPolarHBondContact O-CB 3.32Å; A33-V36 PolarHBondContact O-N 2.96Å; A34-V36 VanDerWaalsContact C-N 3.32Å; A34-V36 PolarHBondContact O-N 3.22Å; V36-V38 PolarHBondContact O-N 3.26Å; V36-D39 PolarHBondContact O-N 2.88Å; V36-M40 HydrophobicContact CG1-CG 4.42Å; V36-M40 VanDerWaalsContact O-CG 3.23Å; V36-M40 WeakPolarHBondContact O-CG 3.45Å; V36-M40 PolarHBondContact O-N 3.39Å; V36-V466 HydrophobicContact CG1-CG1 4.33Å; V36-I467 HydrophobicContact CB-CD1 4.39Å; V36-I467 HydrophobicContact CB-CG1 4.44Å; V36-I467 HydrophobicContact CG1-CD1 4.34Å; V36-I467 HydrophobicContact CG1-CG1 4.32Å
37L92.4Very high90Very high30 Ų3065 Ų6516%0.15736%0.362CS..Hα-helixtrans-64.3-39.3176.4-62.9176.5000112.8A33 A34 K35 M40 S41 T56 A59 A463 I467A33-L37 PolarHBondContact O-N 3.42Å; A34-L37 WeakPolarHBondContact O-CB 3.45Å; A34-L37 PolarHBondContact O-N 3.1Å; K35-L37 VanDerWaalsContact C-N 3.28Å; K35-L37 PolarHBondContact O-N 3.44Å; L37-M40 PolarHBondContact O-N 3.39Å; L37-S41 WeakPolarHBondContact O-CB 3.38Å; L37-S41 PolarHBondContact O-N 2.79Å; L37-T56 HydrophobicContact CB-CG2 4.45Å; L37-A59 HydrophobicContact CD2-CB 3.67Å; L37-A463 HydrophobicContact CD2-CB 4.29Å; L37-I467 HydrophobicContact CD2-CD1 4.2Å; L37-I467 HydrophobicContact CG-CD1 4.27Å
38V92.8Very high90Very high28 Ų2861.3 Ų61.317%0.1734%0.343CS..Hα-helixtrans-61-46.2174.6-179.70000111L24 V29 A34 K35 V36 M40 S41 R42L24-V38 HydrophobicContact CB-CB 4.44Å; L24-V38 HydrophobicContact CB-CG1 4.18Å; L24-V38 HydrophobicContact CB-CG2 4.02Å; L24-V38 HydrophobicContact CD2-CG2 4.46Å; V29-V38 HydrophobicContact CG2-CG2 4.46Å; A34-V38 WeakPolarHBondContact O-CG2 3.49Å; A34-V38 PolarHBondContact O-N 3.4Å; K35-V38 WeakPolarHBondContact O-CB 3.33Å; K35-V38 PolarHBondContact O-N 3.32Å; K35-V38 VanDerWaalsContact O-N 3.12Å; V36-V38 PolarHBondContact O-N 3.26Å; V38-M40 PolarHBondContact O-N 2.99Å; V38-S41 PolarHBondContact O-N 3.46Å; V38-R42 PolarHBondContact O-N 2.97Å
39D92.3Very high90.1Very high90 Ų9057.6 Ų57.648%0.48131%0.305SS..Hα-helixtrans-64.7-39.9-179.5-68.8-25.7000111.4K35 V36 R42 V43K35-D39 PolarHBondContact O-N 3.35Å; V36-D39 PolarHBondContact O-N 2.88Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-V43 WeakPolarHBondContact O-CG2 3.41Å; D39-V43 PolarHBondContact O-N 3.43Å
40M91.9Very high90.3Very high46 Ų4657.2 Ų57.223%0.22730%0.302CS..Hα-helixtrans-67.4-38.8176.3-64.7-63.810500112.6V36 L37 V38 R42 V43 Q44 V55 A463V36-M40 HydrophobicContact CG1-CG 4.42Å; V36-M40 VanDerWaalsContact O-CG 3.23Å; V36-M40 WeakPolarHBondContact O-CG 3.45Å; V36-M40 PolarHBondContact O-N 3.39Å; L37-M40 PolarHBondContact O-N 3.39Å; V38-M40 PolarHBondContact O-N 2.99Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 3.47Å; M40-V43 PolarHBondContact O-N 3.03Å; M40-Q44 PolarHBondContact O-N 3.28Å; M40-V55 HydrophobicContact CB-CG1 4.3Å; M40-A463 HydrophobicContact CB-CB 4.47Å; M40-A463 HydrophobicContact CG-CB 3.8Å
41S92.3Very high90.5Very high0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-62.5-39.1174.6-175.30000111.6A21 L37 V38 Q44 D45A21-S41 WeakPolarHBondContact CA-OG 3.48Å; L37-S41 WeakPolarHBondContact O-CB 3.38Å; L37-S41 PolarHBondContact O-N 2.79Å; V38-S41 PolarHBondContact O-N 3.46Å; S41-Q44 WeakPolarHBondContact O-CB 3.43Å; S41-Q44 PolarHBondContact O-N 2.98Å; S41-D45 PolarHBondContact O-N 3.25Å; S41-D45 VanDerWaalsContact O-N 3.12Å
42R91.1Very high90.6Very high146 Ų14646.4 Ų46.455%0.55125%0.245SC*.Hα-helixtrans-65.7-43.6174-179.2-177.4172.9-175.8-1112.6V38 D39 M40 Q44 D45 D46V38-R42 PolarHBondContact O-N 2.97Å; D39-R42 PolarHBondContact O-N 3.03Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 3.47Å; R42-Q44 VanDerWaalsContact C-N 3.27Å; R42-Q44 PolarHBondContact O-N 3.3Å; R42-D45 WeakPolarHBondContact O-CB 3.46Å; R42-D45 PolarHBondContact O-N 2.98Å; R42-D46 IonicContact NE-OD2 2.88Å; R42-D46 PolarHBondContact O-N 3.16Å
43V92.2Very high90.8Very high60 Ų6046.8 Ų46.836%0.36425%0.247SC..Hα-helixtrans-61.6-38.4176.8171.30000111.1D39 M40 D45 D46 E47D39-V43 WeakPolarHBondContact O-CG2 3.41Å; D39-V43 PolarHBondContact O-N 3.43Å; M40-V43 PolarHBondContact O-N 3.03Å; V43-D45 VanDerWaalsContact C-N 3.34Å; V43-D45 PolarHBondContact O-N 2.96Å; V43-D46 PolarHBondContact O-N 3.31Å; V43-E47 HydrophobicContact CG1-CG 4.27Å; V43-E47 WeakPolarHBondContact O-CB 3.48Å; V43-E47 WeakPolarHBondContact O-CG 3.3Å; V43-E47 PolarHBondContact O-N 3.14Å
44Q92.3Very high90.9Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-61.3-42.9174.6-177.365.730.900112.2M40 S41 R42 V48 G49 D50 T52 V55M40-Q44 PolarHBondContact O-N 3.28Å; S41-Q44 WeakPolarHBondContact O-CB 3.43Å; S41-Q44 PolarHBondContact O-N 2.98Å; R42-Q44 VanDerWaalsContact C-N 3.27Å; R42-Q44 PolarHBondContact O-N 3.3Å; Q44-V48 PolarHBondContact O-N 3.17Å; Q44-G49 PolarHBondContact O-N 2.96Å; Q44-D50 WeakPolarHBondContact CG-O 3.36Å; Q44-D50 PolarHBondContact NE2-O 3.41Å; Q44-T52 HydrophobicContact CG-CG2 4.4Å; Q44-V55 HydrophobicContact CB-CG2 4.04Å; Q44-V55 HydrophobicContact CG-CG2 3.72Å
45D90.1Very high91Very high37 Ų3745.7 Ų45.720%0.19824%0.235CC..Hα-helixtrans-64.1-49.4177.5-165.847.1000111.4A21 S41 R42 V43 E47 G49 T52A21-D45 HydrophobicContact CB-CB 3.96Å; S41-D45 PolarHBondContact O-N 3.25Å; S41-D45 VanDerWaalsContact O-N 3.12Å; R42-D45 WeakPolarHBondContact O-CB 3.46Å; R42-D45 PolarHBondContact O-N 2.98Å; V43-D45 VanDerWaalsContact C-N 3.34Å; V43-D45 PolarHBondContact O-N 2.96Å; D45-E47 PolarHBondContact O-N 2.86Å; D45-G49 WeakPolarHBondContact O-CA 3.39Å; D45-G49 PolarHBondContact O-N 3.33Å; D45-T52 HydrophobicContact CB-CG2 3.79Å
46D88Confident91.1Very high108 Ų10841.8 Ų41.858%0.57822%0.22SC*.Hα-helixtrans-64.2-36.5-179-70.4-24.1000112.1R42 V43R42-D46 IonicContact NE-OD2 2.88Å; R42-D46 PolarHBondContact O-N 3.16Å; V43-D46 PolarHBondContact O-N 3.31Å
47E86.1Confident91.3Very high115 Ų11541.8 Ų41.854%0.53722%0.221SC..Hα-helixtrans-85-42.7-177.1-73.3-68.4140.700113.8V43 D45 Q352V43-E47 HydrophobicContact CG1-CG 4.27Å; V43-E47 WeakPolarHBondContact O-CB 3.48Å; V43-E47 WeakPolarHBondContact O-CG 3.3Å; V43-E47 PolarHBondContact O-N 3.14Å; D45-E47 PolarHBondContact O-N 2.86Å; E47-Q352 PolarHBondContact O-NE2 2.95Å
48V87.2Confident91.5Very high6 Ų640.5 Ų40.54%0.03621%0.214CC..THydrogen-bonded Turntrans-126.5-24.6-171-1530000113.8Q44 D50 Q352 V452 Q455Q44-V48 PolarHBondContact O-N 3.17Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 PolarHBondContact O-N 3.38Å; V48-Q352 HydrophobicContact CG1-CG 4.34Å; V48-V452 HydrophobicContact CB-CG2 4.38Å; V48-V452 HydrophobicContact CG1-CB 4.14Å; V48-V452 HydrophobicContact CG1-CG2 3.31Å; V48-Q455 HydrophobicContact CG2-CB 3.85Å; V48-Q455 HydrophobicContact CG2-CG 3.89Å
49G84.3Confident91.7Very high1 Ų139.1 Ų39.11%0.0121%0.205CC..SBendtrans80.1-4176.600000116.1Q44 D45 D345Q44-G49 PolarHBondContact O-N 2.96Å; D45-G49 WeakPolarHBondContact O-CA 3.39Å; D45-G49 PolarHBondContact O-N 3.33Å; G49-D345 VanDerWaalsContact O-CB 3.3Å; G49-D345 WeakPolarHBondContact O-CB 3.4Å
50D88.9Confident91.9Very high28 Ų2837 Ų3715%0.1520%0.2CC..SBendtrans-143.2165.3175.9-163.410000111.2Q44 V48 T119 V349 V452Q44-D50 WeakPolarHBondContact CG-O 3.36Å; Q44-D50 PolarHBondContact NE2-O 3.41Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 PolarHBondContact O-N 3.38Å; D50-T119 HydrophobicContact CB-CG2 4.48Å; D50-T119 WeakPolarHBondContact OD2-CG2 3.32Å; D50-T119 PolarHBondContact OD2-OG1 3.17Å; D50-V349 HydrophobicContact CB-CG2 3.28Å; D50-V452 HydrophobicContact CB-CG1 4.47Å; D50-V452 HydrophobicContact CB-CG2 4.47Å
51G90.1Very high92.1Very high5 Ų535.6 Ų35.65%0.05219%0.193CC..  trans80.913.6-176.800000114.2T53 S54 V55G51-T53 VanDerWaalsContact C-N 3.32Å; G51-T53 PolarHBondContact O-N 3.26Å; G51-S54 PolarHBondContact O-N 3.49Å; G51-S54 VanDerWaalsContact O-N 3.11Å; G51-V55 PolarHBondContact O-N 3.33Å
52T92.5Very high92.3Very high6 Ų635.6 Ų35.64%0.03719%0.193CC..Hα-helixtrans-56.6-43.6179.458.70000112.1D19 A21 Q44 D45 T56D19-T52 PolarHBondContact OD1-OG1 3.03Å; A21-T52 HydrophobicContact CB-CG2 3.81Å; Q44-T52 HydrophobicContact CG-CG2 4.4Å; D45-T52 HydrophobicContact CB-CG2 3.79Å; T52-T56 PolarHBondContact O-N 3.5Å; T52-T56 PolarHBondContact O-OG1 2.99Å; T52-T56 VanDerWaalsContact O-OG1 3.1Å
53T93.1Very high92.6Very high68 Ų6830.5 Ų30.542%0.41718%0.177SC..Hα-helixtrans-67.2-44.8174.1-59.10000111.4G51 V55 T56 V57G51-T53 VanDerWaalsContact C-N 3.32Å; G51-T53 PolarHBondContact O-N 3.26Å; T53-V55 PolarHBondContact O-N 3.36Å; T53-T56 PolarHBondContact O-N 3.41Å; T53-V57 HydrophobicContact CG2-CG2 4.03Å; T53-V57 VanDerWaalsContact O-CG2 3.31Å; T53-V57 WeakPolarHBondContact O-CG2 3.33Å; T53-V57 PolarHBondContact O-N 3.37Å
54S94Very high92.8Very high38 Ų3833.2 Ų33.227%0.26618%0.18SC..Hα-helixtrans-62-40.2-177.7-54.20000112.5G51 L58G51-S54 PolarHBondContact O-N 3.49Å; G51-S54 VanDerWaalsContact O-N 3.11Å; S54-L58 WeakPolarHBondContact O-CB 3.41Å; S54-L58 PolarHBondContact O-N 2.95Å
55V95.2Very high93Very high2 Ų234.8 Ų34.81%0.01219%0.188CC..Hα-helixtrans-57.7-50173.5169.60000110.9M40 Q44 G51 T53 A59 V456M40-V55 HydrophobicContact CB-CG1 4.3Å; Q44-V55 HydrophobicContact CB-CG2 4.04Å; Q44-V55 HydrophobicContact CG-CG2 3.72Å; G51-V55 PolarHBondContact O-N 3.33Å; T53-V55 PolarHBondContact O-N 3.36Å; V55-A59 VanDerWaalsContact O-CB 3.27Å; V55-A59 WeakPolarHBondContact O-CB 3.41Å; V55-A59 PolarHBondContact O-N 3.5Å; V55-V456 HydrophobicContact CG2-CB 4.18Å; V55-V456 HydrophobicContact CG2-CG1 4.25Å; V55-V456 HydrophobicContact CG2-CG2 4Å
56T94.7Very high93.2Very high25 Ų2533.1 Ų33.115%0.15318%0.179CC..Hα-helixtrans-66.4-43.9-176-53.20000111.5L24 L37 T52 T53 A60L24-T56 HydrophobicContact CD1-CG2 4.01Å; L24-T56 WeakPolarHBondContact CD1-OG1 3.22Å; L37-T56 HydrophobicContact CB-CG2 4.45Å; T52-T56 PolarHBondContact O-N 3.5Å; T52-T56 PolarHBondContact O-OG1 2.99Å; T52-T56 VanDerWaalsContact O-OG1 3.1Å; T53-T56 PolarHBondContact O-N 3.41Å; T56-A60 WeakPolarHBondContact O-CB 3.41Å; T56-A60 PolarHBondContact O-N 3.4Å
57V95.8Very high93.6Very high39 Ų3934.7 Ų34.724%0.23618%0.183CC..Hα-helixtrans-66.4-47.6179.5173.30000110.7T53 A59 A60 E61 L399 I402T53-V57 HydrophobicContact CG2-CG2 4.03Å; T53-V57 VanDerWaalsContact O-CG2 3.31Å; T53-V57 WeakPolarHBondContact O-CG2 3.33Å; T53-V57 PolarHBondContact O-N 3.37Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 2.95Å; V57-A60 PolarHBondContact O-N 3.07Å; V57-E61 HydrophobicContact CG1-CG 4.3Å; V57-E61 WeakPolarHBondContact O-CB 3.37Å; V57-E61 VanDerWaalsContact O-CG 3.31Å; V57-E61 WeakPolarHBondContact O-CG 3.4Å; V57-E61 PolarHBondContact O-N 2.71Å; V57-L399 HydrophobicContact CB-CD2 4.19Å; V57-L399 HydrophobicContact CG1-CD2 3.73Å; V57-I402 HydrophobicContact CG1-CD1 3.37Å
58L97Very high94Very high2 Ų231.6 Ų31.61%0.0117%0.174CC..Hα-helixtrans-62.9-41.7179.2-178.157.4000111.5S54 A60 E61 L62 A395 L396 L399 V456 A460S54-L58 WeakPolarHBondContact O-CB 3.41Å; S54-L58 PolarHBondContact O-N 2.95Å; L58-A60 PolarHBondContact O-N 3.3Å; L58-E61 PolarHBondContact O-N 3.14Å; L58-L62 HydrophobicContact CD1-CG 4.39Å; L58-L62 HydrophobicContact CG-CD1 4.25Å; L58-L62 WeakPolarHBondContact O-CB 3.49Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.33Å; L58-A395 HydrophobicContact CD1-CB 4.44Å; L58-L396 HydrophobicContact CD1-CD2 4.05Å; L58-L396 HydrophobicContact CD2-CD2 4.15Å; L58-L399 HydrophobicContact CB-CD1 4.25Å; L58-L399 HydrophobicContact CB-CD2 4.36Å; L58-L399 HydrophobicContact CD1-CD1 4.2Å; L58-L399 HydrophobicContact CD2-CD1 4.31Å; L58-L399 HydrophobicContact CG-CD1 4.49Å; L58-V456 HydrophobicContact CD2-CG1 4.48Å; L58-A460 HydrophobicContact CB-CB 3.77Å; L58-A460 HydrophobicContact CD2-CB 3.7Å; L58-A460 HydrophobicContact CG-CB 3.7Å
59A96.5Very high94.4Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-61.7-42.8175.400000111.9L37 V55 V57 L62 L63 A460 A463L37-A59 HydrophobicContact CD2-CB 3.67Å; V55-A59 VanDerWaalsContact O-CB 3.27Å; V55-A59 WeakPolarHBondContact O-CB 3.41Å; V55-A59 PolarHBondContact O-N 3.5Å; V57-A59 VanDerWaalsContact C-N 3.34Å; V57-A59 PolarHBondContact O-N 2.95Å; A59-L62 PolarHBondContact O-N 3.04Å; A59-L63 VanDerWaalsContact O-CG 3.29Å; A59-L63 WeakPolarHBondContact O-CG 3.47Å; A59-L63 PolarHBondContact O-N 3.34Å; A59-A460 HydrophobicContact CB-CB 4.29Å; A59-A463 HydrophobicContact CB-CB 3.99Å
60A95.9Very high94.9Very high45 Ų4535.2 Ų35.237%0.37219%0.192SC..Hα-helixtrans-65-42176.800000112.4T56 V57 L58 L63 R64T56-A60 WeakPolarHBondContact O-CB 3.41Å; T56-A60 PolarHBondContact O-N 3.4Å; V57-A60 PolarHBondContact O-N 3.07Å; L58-A60 PolarHBondContact O-N 3.3Å; A60-L63 PolarHBondContact O-N 2.84Å; A60-R64 PolarHBondContact O-N 3.19Å
61E96.9Very high95.2Very high17 Ų1737.8 Ų37.88%0.07922%0.218CC..Hα-helixtrans-65.5-40.1177.1-73.7-61150.700112.2V57 L58 R64 E65 A395 M398 I402V57-E61 HydrophobicContact CG1-CG 4.3Å; V57-E61 WeakPolarHBondContact O-CB 3.37Å; V57-E61 VanDerWaalsContact O-CG 3.31Å; V57-E61 WeakPolarHBondContact O-CG 3.4Å; V57-E61 PolarHBondContact O-N 2.71Å; L58-E61 PolarHBondContact O-N 3.14Å; E61-R64 VanDerWaalsContact CD-CZ 3.4Å; E61-R64 VanDerWaalsContact CD-NH2 3.31Å; E61-R64 PolarHBondContact O-N 2.98Å; E61-R64 IonicContact OE1-CZ 3.77Å; E61-R64 IonicContact OE1-NE 3.32Å; E61-R64 IonicContact OE1-NH1 2.71Å; E61-R64 PolarHBondContact OE1-NH1 3.16Å; E61-R64 IonicContact OE1-NH2 2.86Å; E61-R64 PolarHBondContact OE1-NH2 2.94Å; E61-R64 IonicContact OE2-CZ 2.66Å; E61-R64 IonicContact OE2-NE 2.75Å; E61-R64 PolarHBondContact OE2-NE 3.24Å; E61-R64 IonicContact OE2-NH1 3.89Å; E61-R64 PolarHBondContact OE2-NH1 2.69Å; E61-R64 IonicContact OE2-NH2 3.63Å; E61-R64 PolarHBondContact OE2-NH2 3.47Å; E61-E65 PolarHBondContact O-N 2.72Å; E61-A395 HydrophobicContact CB-CB 4.14Å; E61-M398 HydrophobicContact CB-CB 4.42Å; E61-M398 HydrophobicContact CG-CB 3.86Å; E61-M398 HydrophobicContact CG-CG 4.44Å; E61-M398 WeakPolarHBondContact OE2-CG 3.46Å; E61-I402 HydrophobicContact CG-CD1 4.32Å
62L97.2Very high95.4Very high0 Ų043.7 Ų43.70%024%0.242CC..Hα-helixtrans-59.1-48.5171.2-74.7169.8000111.1L58 A59 R64 E65 A66 W83 Y392 A395 A464L58-L62 HydrophobicContact CD1-CG 4.39Å; L58-L62 HydrophobicContact CG-CD1 4.25Å; L58-L62 WeakPolarHBondContact O-CB 3.49Å; L58-L62 VanDerWaalsContact O-CG 3.26Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 3.33Å; A59-L62 PolarHBondContact O-N 3.04Å; L62-R64 VanDerWaalsContact C-N 3.32Å; L62-R64 PolarHBondContact O-N 3.42Å; L62-E65 PolarHBondContact O-N 3.34Å; L62-A66 PolarHBondContact O-N 3.38Å; L62-W83 HydrophobicContact CB-CH2 3.88Å; L62-W83 HydrophobicContact CB-CZ2 4.33Å; L62-W83 HydrophobicContact CB-CZ3 4.24Å; L62-W83 HydrophobicContact CD2-CZ2 4.28Å; L62-W83 WeakPolarHBondContact O-CH2 3.44Å; L62-W83 VanDerWaalsContact O-CZ2 3.27Å; L62-W83 WeakPolarHBondContact O-CZ2 3.34Å; L62-Y392 HydrophobicContact CD1-CE2 3.98Å; L62-Y392 HydrophobicContact CD2-CD2 3.29Å; L62-Y392 HydrophobicContact CD2-CE2 3.55Å; L62-Y392 HydrophobicContact CD2-CG 3.94Å; L62-Y392 HydrophobicContact CG-CE2 4.44Å; L62-A395 HydrophobicContact CD2-CB 3.61Å; L62-A395 HydrophobicContact CG-CB 3.94Å; L62-A464 HydrophobicContact CB-CB 3.77Å; L62-A464 HydrophobicContact CD1-CB 3.99Å
63L96.3Very high95.4Very high38 Ų3852.2 Ų52.220%0.19928%0.278CS..Hα-helixtrans-62.8-36.9179.1-70.8170.4000112.8A59 A60 E65 A66 E67 A464 I467A59-L63 VanDerWaalsContact O-CG 3.29Å; A59-L63 WeakPolarHBondContact O-CG 3.47Å; A59-L63 PolarHBondContact O-N 3.34Å; A60-L63 PolarHBondContact O-N 2.84Å; L63-E65 VanDerWaalsContact C-N 3.35Å; L63-A66 PolarHBondContact O-N 3.09Å; L63-E67 PolarHBondContact O-N 3.24Å; L63-A464 HydrophobicContact CD2-CB 4.31Å; L63-A464 HydrophobicContact CG-CB 4.26Å; L63-I467 HydrophobicContact CD1-CB 4.21Å; L63-I467 HydrophobicContact CD1-CD1 3.67Å; L63-I467 HydrophobicContact CD1-CG2 3.97Å; L63-I467 HydrophobicContact CD2-CB 3.93Å; L63-I467 HydrophobicContact CD2-CG2 3.71Å
64R96.6Very high95.5Very high118 Ų11849.7 Ų49.745%0.44526%0.262SS..Hα-helixtrans-62.7-41.7174.1-168.7174.375.8-165.26.5111.8A60 E61 L62 E67 S68A60-R64 PolarHBondContact O-N 3.19Å; E61-R64 VanDerWaalsContact CD-CZ 3.4Å; E61-R64 VanDerWaalsContact CD-NH2 3.31Å; E61-R64 PolarHBondContact O-N 2.98Å; E61-R64 IonicContact OE1-CZ 3.77Å; E61-R64 IonicContact OE1-NE 3.32Å; E61-R64 IonicContact OE1-NH1 2.71Å; E61-R64 PolarHBondContact OE1-NH1 3.16Å; E61-R64 IonicContact OE1-NH2 2.86Å; E61-R64 PolarHBondContact OE1-NH2 2.94Å; E61-R64 IonicContact OE2-CZ 2.66Å; E61-R64 IonicContact OE2-NE 2.75Å; E61-R64 PolarHBondContact OE2-NE 3.24Å; E61-R64 IonicContact OE2-NH1 3.89Å; E61-R64 PolarHBondContact OE2-NH1 2.69Å; E61-R64 IonicContact OE2-NH2 3.63Å; E61-R64 PolarHBondContact OE2-NH2 3.47Å; L62-R64 VanDerWaalsContact C-N 3.32Å; L62-R64 PolarHBondContact O-N 3.42Å; R64-E67 PolarHBondContact O-N 2.62Å; R64-S68 PolarHBondContact O-N 3.07Å
65E96.1Very high95.5Very high32 Ų3253.8 Ų53.815%0.1528%0.277CS..Hα-helixtrans-67.2-38.4173.5-73.9-65.7141.700111.9E61 L62 L63 E67 S68 L69 A395E61-E65 PolarHBondContact O-N 2.72Å; L62-E65 PolarHBondContact O-N 3.34Å; L63-E65 VanDerWaalsContact C-N 3.35Å; E65-E67 PolarHBondContact O-N 3.01Å; E65-S68 WeakPolarHBondContact O-CB 3.47Å; E65-S68 PolarHBondContact O-N 3.07Å; E65-L69 WeakPolarHBondContact O-CG 3.43Å; E65-L69 PolarHBondContact O-N 3.41Å; E65-L69 VanDerWaalsContact O-N 3.11Å; E65-A395 HydrophobicContact CG-CB 4.34Å
66A95.4Very high95.4Very high2 Ų255.7 Ų55.72%0.01729%0.289CS..Hα-helixtrans-61.9-40.617400000112.7L62 L63 S68 L69 I70 W83 L468L62-A66 PolarHBondContact O-N 3.38Å; L63-A66 PolarHBondContact O-N 3.09Å; A66-S68 VanDerWaalsContact C-N 3.28Å; A66-S68 PolarHBondContact O-N 3Å; A66-L69 PolarHBondContact O-N 3.39Å; A66-L69 VanDerWaalsContact O-N 3.09Å; A66-I70 VanDerWaalsContact O-CG1 3.29Å; A66-I70 WeakPolarHBondContact O-CG1 3.47Å; A66-I70 PolarHBondContact O-N 3.28Å; A66-W83 HydrophobicContact CB-CH2 3.46Å; A66-W83 VanDerWaalsContact CB-CH2 3.46Å; A66-W83 HydrophobicContact CB-CZ2 3.81Å; A66-W83 HydrophobicContact CB-CZ3 4.44Å; A66-L468 HydrophobicContact CB-CD1 3.95Å; A66-L468 HydrophobicContact CB-CD2 4.25Å
67E95.4Very high95.4Very high141 Ų14159.4 Ų59.466%0.65931%0.305SS*.Hα-helixtrans-56.4-44.1175.3-174.3178.2-167.700111.2L63 R64 E65 L69 I70 A71L63-E67 PolarHBondContact O-N 3.24Å; R64-E67 PolarHBondContact O-N 2.62Å; E65-E67 PolarHBondContact O-N 3.01Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.24Å; E67-I70 PolarHBondContact O-N 3.14Å; E67-A71 WeakPolarHBondContact O-CB 3.35Å; E67-A71 PolarHBondContact O-N 2.93Å
68S95.5Very high95.4Very high51 Ų5159.4 Ų59.436%0.35731%0.305SS..Hα-helixtrans-62-38.3175.4-174.80000112.9R64 E65 A66 K72R64-S68 PolarHBondContact O-N 3.07Å; E65-S68 WeakPolarHBondContact O-CB 3.47Å; E65-S68 PolarHBondContact O-N 3.07Å; A66-S68 VanDerWaalsContact C-N 3.28Å; A66-S68 PolarHBondContact O-N 3Å; S68-K72 WeakPolarHBondContact O-CG 3.44Å; S68-K72 PolarHBondContact O-N 2.84Å
69L95.3Very high95.3Very high4 Ų459.3 Ų59.32%0.02131%0.305CS..Hα-helixtrans-72.3-38.7176.7-64.1178.5000112.7E65 A66 E67 A71 K72 K73 I74 I79 V387 A388 S391E65-L69 WeakPolarHBondContact O-CG 3.43Å; E65-L69 PolarHBondContact O-N 3.41Å; E65-L69 VanDerWaalsContact O-N 3.11Å; A66-L69 PolarHBondContact O-N 3.39Å; A66-L69 VanDerWaalsContact O-N 3.09Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.24Å; L69-A71 VanDerWaalsContact C-N 3.34Å; L69-K72 CarbonylContact O-C 3.59Å; L69-K72 WeakPolarHBondContact O-CA 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.29Å; L69-K72 PolarHBondContact O-N 3.34Å; L69-K72 VanDerWaalsContact O-N 3.14Å; L69-K73 PolarHBondContact O-N 3.36Å; L69-I74 HydrophobicContact CB-CB 4.48Å; L69-I74 HydrophobicContact CB-CD1 4.23Å; L69-I74 HydrophobicContact CD2-CD1 3.84Å; L69-I74 WeakPolarHBondContact O-CB 3.08Å; L69-I74 PolarHBondContact O-N 3.47Å; L69-I74 VanDerWaalsContact O-N 3.14Å; L69-I79 HydrophobicContact CB-CD1 3.56Å; L69-I79 HydrophobicContact CB-CG1 4.12Å; L69-I79 HydrophobicContact CD1-CB 4.5Å; L69-I79 HydrophobicContact CD1-CD1 4.12Å; L69-I79 HydrophobicContact CD1-CG1 3.97Å; L69-I79 HydrophobicContact CD1-CG2 3.86Å; L69-V387 HydrophobicContact CD2-CG1 3.71Å; L69-A388 HydrophobicContact CD1-CB 4.19Å; L69-S391 WeakPolarHBondContact CD1-OG 3.38Å
70I94.8Very high95.3Very high78 Ų7859.4 Ų59.440%0.431%0.305SS..Hα-helixtrans-64.1-41.8175-67.9166.6000109.9A66 E67 K72 K73 I79 L468A66-I70 VanDerWaalsContact O-CG1 3.29Å; A66-I70 WeakPolarHBondContact O-CG1 3.47Å; A66-I70 PolarHBondContact O-N 3.28Å; E67-I70 PolarHBondContact O-N 3.14Å; I70-K72 PolarHBondContact O-N 3.09Å; I70-K73 WeakPolarHBondContact O-CA 3.32Å; I70-K73 PolarHBondContact O-N 3.23Å; I70-I79 HydrophobicContact CG1-CD1 3.94Å; I70-L468 HydrophobicContact CD1-CD1 3.76Å
71A94.9Very high95.2Very high83 Ų8358.9 Ų58.969%0.68630%0.301SS*.Hα-helixtrans-59.4-31.2174.300000112.4E67 L69 K73E67-A71 WeakPolarHBondContact O-CB 3.35Å; E67-A71 PolarHBondContact O-N 2.93Å; L69-A71 VanDerWaalsContact C-N 3.34Å; A71-K73 PolarHBondContact O-N 2.86Å
72K93.8Very high95.2Very high128 Ų12858.1 Ų58.156%0.55730%0.297SS*.THydrogen-bonded Turntrans-79.79.4171.8-66.5171.8-1741740114S68 L69 I70 I74S68-K72 WeakPolarHBondContact O-CG 3.44Å; S68-K72 PolarHBondContact O-N 2.84Å; L69-K72 CarbonylContact O-C 3.59Å; L69-K72 WeakPolarHBondContact O-CA 3.25Å; L69-K72 WeakPolarHBondContact O-CB 3.29Å; L69-K72 PolarHBondContact O-N 3.34Å; L69-K72 VanDerWaalsContact O-N 3.14Å; I70-K72 PolarHBondContact O-N 3.09Å; K72-I74 VanDerWaalsContact C-N 3.31Å; K72-I74 PolarHBondContact O-N 3.11Å
73K93.3Very high95.2Very high185 Ų18558.5 Ų58.580%0.80430%0.298SS*.THydrogen-bonded Turntrans62.232.5179.6-51.8180179.1-179.40113.6L69 I70 A71L69-K73 PolarHBondContact O-N 3.36Å; I70-K73 WeakPolarHBondContact O-CA 3.32Å; I70-K73 PolarHBondContact O-N 3.23Å; A71-K73 PolarHBondContact O-N 2.86Å
74I94Very high95.2Very high16 Ų1662.5 Ų62.58%0.08231%0.311CS..  trans-84.9129.2169.1-58.8172.5000107.9L69 K72 T78 I79 V387L69-I74 HydrophobicContact CB-CB 4.48Å; L69-I74 HydrophobicContact CB-CD1 4.23Å; L69-I74 HydrophobicContact CD2-CD1 3.84Å; L69-I74 WeakPolarHBondContact O-CB 3.08Å; L69-I74 PolarHBondContact O-N 3.47Å; L69-I74 VanDerWaalsContact O-N 3.14Å; K72-I74 VanDerWaalsContact C-N 3.31Å; K72-I74 PolarHBondContact O-N 3.11Å; I74-T78 HydrophobicContact CG2-CG2 4.34Å; I74-I79 HydrophobicContact CB-CG1 4.41Å; I74-I79 HydrophobicContact CG2-CD1 4.41Å; I74-I79 HydrophobicContact CG2-CG1 3.75Å; I74-V387 HydrophobicContact CD1-CB 4.45Å; I74-V387 HydrophobicContact CD1-CG1 4.2Å
75H94.4Very high95.1Very high123 Ų12361.1 Ų61.157%0.56931%0.309SS*.  trans-66.7135.3-178.5-170.6-85.8000110.3Q77 T78 I79H75-Q77 VanDerWaalsContact ND1-CB 3.29Å; H75-Q77 WeakPolarHBondContact ND1-CB 3.4Å; H75-Q77 PolarHBondContact ND1-N 3.43Å; H75-Q77 VanDerWaalsContact ND1-N 3.17Å; H75-Q77 PolarHBondContact O-N 3.15Å; H75-Q77 VanDerWaalsContact O-N 3.11Å; H75-T78 WeakPolarHBondContact O-CB 3.32Å; H75-T78 PolarHBondContact O-N 3.49Å; H75-I79 PolarHBondContact O-N 3.25Å
76P94.4Very high95.2Very high42 Ų4259.6 Ų59.627%0.27330%0.302SS..Hα-helixtrans-50.6-39.8-178.7-30.636.2000113.9T78 I79 I80 L468P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.03Å; P76-I79 WeakPolarHBondContact O-CB 3.41Å; P76-I79 PolarHBondContact O-N 3.38Å; P76-I80 WeakPolarHBondContact O-CG1 3.4Å; P76-I80 PolarHBondContact O-N 2.98Å; P76-L468 HydrophobicContact CB-CD1 4.14Å; P76-L468 HydrophobicContact CB-CG 4.18Å
77Q94.1Very high95.2Very high103 Ų10360.3 Ų60.348%0.48131%0.306SS..Hα-helixtrans-59.9-33.9177.2-16364.113.700114H75 A81H75-Q77 VanDerWaalsContact ND1-CB 3.29Å; H75-Q77 WeakPolarHBondContact ND1-CB 3.4Å; H75-Q77 PolarHBondContact ND1-N 3.43Å; H75-Q77 VanDerWaalsContact ND1-N 3.17Å; H75-Q77 PolarHBondContact O-N 3.15Å; H75-Q77 VanDerWaalsContact O-N 3.11Å; Q77-A81 WeakPolarHBondContact O-CB 3.44Å; Q77-A81 PolarHBondContact O-N 2.92Å
78T94.8Very high95.3Very high40 Ų4058.1 Ų58.125%0.24530%0.295CS..Hα-helixtrans-72.9-35.4175.9-52.80000111.3I74 H75 P76 A81 G82 K384 E385I74-T78 HydrophobicContact CG2-CG2 4.34Å; H75-T78 WeakPolarHBondContact O-CB 3.32Å; H75-T78 PolarHBondContact O-N 3.49Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.03Å; T78-A81 PolarHBondContact O-N 2.99Å; T78-G82 PolarHBondContact O-N 3.44Å; T78-G82 VanDerWaalsContact O-N 3.1Å; T78-K384 HydrophobicContact CG2-CB 3.72Å; T78-E385 HydrophobicContact CG2-CG 3.99Å
79I95.9Very high95.4Very high0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-63.3-48.2174.1-56.3173000109.4L69 I70 I74 H75 P76 A81 G82 W83 A388 L468L69-I79 HydrophobicContact CB-CD1 3.56Å; L69-I79 HydrophobicContact CB-CG1 4.12Å; L69-I79 HydrophobicContact CD1-CB 4.5Å; L69-I79 HydrophobicContact CD1-CD1 4.12Å; L69-I79 HydrophobicContact CD1-CG1 3.97Å; L69-I79 HydrophobicContact CD1-CG2 3.86Å; I70-I79 HydrophobicContact CG1-CD1 3.94Å; I74-I79 HydrophobicContact CB-CG1 4.41Å; I74-I79 HydrophobicContact CG2-CD1 4.41Å; I74-I79 HydrophobicContact CG2-CG1 3.75Å; H75-I79 PolarHBondContact O-N 3.25Å; P76-I79 WeakPolarHBondContact O-CB 3.41Å; P76-I79 PolarHBondContact O-N 3.38Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 2.68Å; I79-G82 PolarHBondContact O-N 2.93Å; I79-W83 HydrophobicContact CG2-CD2 3.85Å; I79-W83 HydrophobicContact CG2-CE3 4.32Å; I79-W83 HydrophobicContact CG2-CG 4.3Å; I79-W83 HydrophobicContact CG2-CH2 4.3Å; I79-W83 HydrophobicContact CG2-CZ2 3.8Å; I79-W83 WeakPolarHBondContact O-CB 3.5Å; I79-W83 PolarHBondContact O-N 3.23Å; I79-A388 HydrophobicContact CG2-CB 4.35Å; I79-L468 HydrophobicContact CB-CD2 4Å; I79-L468 HydrophobicContact CG2-CD2 3.72Å
80I95.9Very high95.4Very high2 Ų256.2 Ų56.21%0.0128%0.283CS..Hα-helixtrans-58.8-44.2177.9-66165.1000111.3P76 W83 R84 E465 L468 R469P76-I80 WeakPolarHBondContact O-CG1 3.4Å; P76-I80 PolarHBondContact O-N 2.98Å; I80-W83 PolarHBondContact O-N 3.35Å; I80-R84 HydrophobicContact CG2-CG 4.46Å; I80-R84 WeakPolarHBondContact O-CG 3.44Å; I80-R84 PolarHBondContact O-N 3.16Å; I80-E465 HydrophobicContact CD1-CG 4.41Å; I80-E465 HydrophobicContact CG1-CG 4.24Å; I80-E465 HydrophobicContact CG2-CG 3.8Å; I80-L468 HydrophobicContact CD1-CD2 4.39Å; I80-L468 HydrophobicContact CD1-CG 4.33Å; I80-L468 HydrophobicContact CG1-CD2 3.71Å; I80-L468 HydrophobicContact CG1-CG 4.18Å; I80-R469 HydrophobicContact CD1-CG 3.51Å
81A95.2Very high95.5Very high34 Ų3457.7 Ų57.728%0.28128%0.283SS..Hα-helixtrans-59.7-48.5177.500000111.8Q77 T78 I79 W83 R84 E85Q77-A81 WeakPolarHBondContact O-CB 3.44Å; Q77-A81 PolarHBondContact O-N 2.92Å; T78-A81 PolarHBondContact O-N 2.99Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 2.68Å; A81-W83 PolarHBondContact O-N 2.92Å; A81-R84 PolarHBondContact O-N 3.3Å; A81-E85 PolarHBondContact O-N 2.96Å
82G95.5Very high95.6Very high0 Ų058.5 Ų58.50%027%0.273CS..Hα-helixtrans-64-38.2176.900000113.3T78 I79 A86 M389T78-G82 PolarHBondContact O-N 3.44Å; T78-G82 VanDerWaalsContact O-N 3.1Å; I79-G82 PolarHBondContact O-N 2.93Å; G82-A86 WeakPolarHBondContact O-CB 3.27Å; G82-A86 PolarHBondContact O-N 3.46Å; G82-M389 WeakPolarHBondContact O-CG 3.29Å
83W96.7Very high95.7Very high8 Ų853 Ų533%0.0325%0.251CS..Hα-helixtrans-68.2-36.3177.6-75.42.2000113.4L62 A66 I79 I80 A81 A86 T87 A388 S391 Y392 A464 L468L62-W83 HydrophobicContact CB-CH2 3.88Å; L62-W83 HydrophobicContact CB-CZ2 4.33Å; L62-W83 HydrophobicContact CB-CZ3 4.24Å; L62-W83 HydrophobicContact CD2-CZ2 4.28Å; L62-W83 WeakPolarHBondContact O-CH2 3.44Å; L62-W83 VanDerWaalsContact O-CZ2 3.27Å; L62-W83 WeakPolarHBondContact O-CZ2 3.34Å; A66-W83 HydrophobicContact CB-CH2 3.46Å; A66-W83 VanDerWaalsContact CB-CH2 3.46Å; A66-W83 HydrophobicContact CB-CZ2 3.81Å; A66-W83 HydrophobicContact CB-CZ3 4.44Å; I79-W83 HydrophobicContact CG2-CD2 3.85Å; I79-W83 HydrophobicContact CG2-CE3 4.32Å; I79-W83 HydrophobicContact CG2-CG 4.3Å; I79-W83 HydrophobicContact CG2-CH2 4.3Å; I79-W83 HydrophobicContact CG2-CZ2 3.8Å; I79-W83 WeakPolarHBondContact O-CB 3.5Å; I79-W83 PolarHBondContact O-N 3.23Å; I80-W83 PolarHBondContact O-N 3.35Å; A81-W83 PolarHBondContact O-N 2.92Å; W83-A86 WeakPolarHBondContact O-CB 3.2Å; W83-A86 PolarHBondContact O-N 2.9Å; W83-T87 WeakPolarHBondContact O-CB 3.44Å; W83-T87 PolarHBondContact O-N 3.24Å; W83-T87 PolarHBondContact O-OG1 2.97Å; W83-A388 PolarHBondContact NE1-O 2.82Å; W83-A388 VanDerWaalsContact NE1-O 3.16Å; W83-S391 PolarHBondContact NE1-OG 3.36Å; W83-S391 VanDerWaalsContact NE1-OG 3.15Å; W83-Y392 HydrophobicContact CB-CD2 4.01Å; W83-Y392 HydrophobicContact CB-CE2 4.43Å; W83-Y392 AromaticContact CD1-CD2 3.77Å; W83-Y392 HydrophobicContact CD2-CD2 4.21Å; W83-Y392 AromaticContact CG-CD2 3.75Å; W83-Y392 HydrophobicContact CG-CD2 3.75Å; W83-A464 HydrophobicContact CE3-CB 4.49Å; W83-A464 HydrophobicContact CH2-CB 4.48Å; W83-A464 HydrophobicContact CZ3-CB 3.77Å; W83-L468 HydrophobicContact CE3-CD2 4.2Å; W83-L468 HydrophobicContact CH2-CD2 4.23Å; W83-L468 HydrophobicContact CZ3-CD2 3.8Å
84R96.3Very high95.7Very high122 Ų12244.2 Ų44.246%0.4621%0.213SC..Hα-helixtrans-62.5-44.2176.1-76.3168.1168.3-150.1-13.4112.3I80 A81 T87 K88 E465I80-R84 HydrophobicContact CG2-CG 4.46Å; I80-R84 WeakPolarHBondContact O-CG 3.44Å; I80-R84 PolarHBondContact O-N 3.16Å; A81-R84 PolarHBondContact O-N 3.3Å; R84-T87 PolarHBondContact O-N 2.76Å; R84-K88 PolarHBondContact O-N 3.4Å; R84-E465 IonicContact CZ-OE1 3.29Å; R84-E465 VanDerWaalsContact CZ-OE1 3.29Å; R84-E465 IonicContact CZ-OE2 3.75Å; R84-E465 IonicContact NE-OE1 3.22Å; R84-E465 PolarHBondContact NE-OE1 2.89Å; R84-E465 IonicContact NE-OE2 2.96Å; R84-E465 PolarHBondContact NE-OE2 3.38Å; R84-E465 IonicContact NH2-OE1 2.67Å; R84-E465 PolarHBondContact NH2-OE1 3.26Å; R84-E465 IonicContact NH2-OE2 3.65Å
85E96Very high95.8Very high89 Ų8947.6 Ų47.642%0.41623%0.231SC..Hα-helixtrans-67.4-37.7174.8-68.7-56.1133.600111.5A81 K88 A89 L377 M389A81-E85 PolarHBondContact O-N 2.96Å; E85-K88 PolarHBondContact O-N 2.94Å; E85-A89 PolarHBondContact O-N 3.33Å; E85-L377 HydrophobicContact CB-CD2 4.44Å; E85-M389 HydrophobicContact CB-CE 3.43Å; E85-M389 VanDerWaalsContact CB-CE 3.43Å; E85-M389 HydrophobicContact CG-CE 4.25Å
86A96.9Very high95.8Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-61.4-46.1172.600000112.5G82 W83 K88 A89 A90 V374 M389 Y392G82-A86 WeakPolarHBondContact O-CB 3.27Å; G82-A86 PolarHBondContact O-N 3.46Å; W83-A86 WeakPolarHBondContact O-CB 3.2Å; W83-A86 PolarHBondContact O-N 2.9Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 3.07Å; A86-A89 PolarHBondContact O-N 3.04Å; A86-A90 WeakPolarHBondContact O-CB 3.27Å; A86-A90 PolarHBondContact O-N 3.41Å; A86-V374 HydrophobicContact CB-CG1 3.63Å; A86-V374 HydrophobicContact CB-CG2 4.1Å; A86-V374 VanDerWaalsContact O-CG2 3.3Å; A86-V374 WeakPolarHBondContact O-CG2 3.41Å; A86-M389 HydrophobicContact CB-CG 4.25Å; A86-Y392 HydrophobicContact CB-CD1 3.69Å; A86-Y392 HydrophobicContact CB-CD2 4.17Å; A86-Y392 HydrophobicContact CB-CE1 4.28Å; A86-Y392 HydrophobicContact CB-CG 3.63Å
87T96.9Very high95.7Very high17 Ų1745.9 Ų45.910%0.10423%0.234CC..Hα-helixtrans-60.7-40.1176.3-60.20000111.3W83 R84 R91 Y392 L457 L458 A461W83-T87 WeakPolarHBondContact O-CB 3.44Å; W83-T87 PolarHBondContact O-N 3.24Å; W83-T87 PolarHBondContact O-OG1 2.97Å; R84-T87 PolarHBondContact O-N 2.76Å; T87-R91 VanDerWaalsContact O-CB 3.29Å; T87-R91 WeakPolarHBondContact O-CB 3.43Å; T87-R91 PolarHBondContact O-N 3.44Å; T87-Y392 WeakPolarHBondContact OG1-CE2 3.46Å; T87-Y392 PolarHBondContact OG1-OH 2.93Å; T87-L457 HydrophobicContact CG2-CD2 4.47Å; T87-L457 HydrophobicContact CG2-CG 4.29Å; T87-L458 HydrophobicContact CG2-CD2 4.01Å; T87-A461 HydrophobicContact CG2-CB 4.06Å; T87-A461 WeakPolarHBondContact OG1-CB 3.47Å
88K96.8Very high95.6Very high95 Ų9542 Ų4241%0.41322%0.22SC..Hα-helixtrans-62.3-48.7175.7-175.7-176.8171.9-1680111.6R84 E85 A86 R91 E92R84-K88 PolarHBondContact O-N 3.4Å; E85-K88 PolarHBondContact O-N 2.94Å; A86-K88 VanDerWaalsContact C-N 3.3Å; A86-K88 PolarHBondContact O-N 3.07Å; K88-R91 PolarHBondContact O-N 3.42Å; K88-E92 WeakPolarHBondContact CE-OE1 3.47Å; K88-E92 WeakPolarHBondContact O-CG 3.48Å; K88-E92 PolarHBondContact O-N 2.78Å
89A96.7Very high95.5Very high15 Ų1542.5 Ų42.512%0.12422%0.222CC..Hα-helixtrans-63.2-42.8178.300000112.6E85 A86 R91 E92 A93 V374 L377E85-A89 PolarHBondContact O-N 3.33Å; A86-A89 PolarHBondContact O-N 3.04Å; A89-R91 PolarHBondContact O-N 3.39Å; A89-E92 PolarHBondContact O-N 3.08Å; A89-A93 WeakPolarHBondContact O-CB 3.31Å; A89-A93 PolarHBondContact O-N 2.92Å; A89-V374 HydrophobicContact CB-CG2 4.48Å; A89-L377 HydrophobicContact CB-CD2 3.69Å
90A96.9Very high95.3Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-60.2-44.7174.700000111.5A86 E92 A93 L94 M370 V374 L457A86-A90 WeakPolarHBondContact O-CB 3.27Å; A86-A90 PolarHBondContact O-N 3.41Å; A90-E92 PolarHBondContact O-N 3.42Å; A90-A93 PolarHBondContact O-N 3.45Å; A90-L94 WeakPolarHBondContact O-CB 3.41Å; A90-L94 PolarHBondContact O-N 2.91Å; A90-M370 HydrophobicContact CB-CB 3.85Å; A90-M370 HydrophobicContact CB-CG 3.99Å; A90-M370 HydrophobicContact CB-SD 4.05Å; A90-M370 WeakPolarHBondContact O-CG 3.45Å; A90-V374 HydrophobicContact CB-CG2 3.95Å; A90-L457 HydrophobicContact CB-CD1 3.95Å; A90-L457 HydrophobicContact CB-CD2 3.8Å
91R96.4Very high94.9Very high109 Ų10949.2 Ų49.241%0.41126%0.256SS..Hα-helixtrans-63.6-42177.6-174.5-177.768.5-177.91.3112.3T87 K88 A89 L94 L95 L457T87-R91 VanDerWaalsContact O-CB 3.29Å; T87-R91 WeakPolarHBondContact O-CB 3.43Å; T87-R91 PolarHBondContact O-N 3.44Å; K88-R91 PolarHBondContact O-N 3.42Å; A89-R91 PolarHBondContact O-N 3.39Å; R91-L94 PolarHBondContact O-N 3.48Å; R91-L95 WeakPolarHBondContact O-CB 3.5Å; R91-L95 PolarHBondContact O-N 3.1Å; R91-L457 HydrophobicContact CB-CD2 3.95Å
92E96.5Very high94.3Very high101 Ų10149.3 Ų49.347%0.47226%0.261SS..Hα-helixtrans-63.8-42.4176.5-74.7172.3-170.400111.2K88 A89 A90 L95 S96K88-E92 WeakPolarHBondContact CE-OE1 3.47Å; K88-E92 WeakPolarHBondContact O-CG 3.48Å; K88-E92 PolarHBondContact O-N 2.78Å; A89-E92 PolarHBondContact O-N 3.08Å; A90-E92 PolarHBondContact O-N 3.42Å; E92-L95 PolarHBondContact O-N 3.49Å; E92-S96 WeakPolarHBondContact O-CB 3.47Å; E92-S96 PolarHBondContact O-N 3.13Å; E92-S96 PolarHBondContact O-OG 3.09Å
93A95.4Very high93.8Very high12 Ų1255.2 Ų55.210%0.09930%0.302CS..Hα-helixtrans-61.7-47.2175.600000111.5A89 A90 L95 S96 S97 L369 A373A89-A93 WeakPolarHBondContact O-CB 3.31Å; A89-A93 PolarHBondContact O-N 2.92Å; A90-A93 PolarHBondContact O-N 3.45Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.18Å; A93-S96 PolarHBondContact O-N 3.42Å; A93-S96 VanDerWaalsContact O-N 3.16Å; A93-S96 PolarHBondContact O-OG 3.26Å; A93-S97 PolarHBondContact O-N 3.08Å; A93-S97 PolarHBondContact O-OG 3.08Å; A93-L369 HydrophobicContact CB-CD2 3.57Å; A93-A373 HydrophobicContact CB-CB 3.5Å; A93-A373 VanDerWaalsContact CB-CB 3.5Å
94L95Very high93.4Very high0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-60.7-41.8176.7-172.870000112.3A90 R91 S96 S97 A98 V360 M370 F450 K453 R454A90-L94 WeakPolarHBondContact O-CB 3.41Å; A90-L94 PolarHBondContact O-N 2.91Å; R91-L94 PolarHBondContact O-N 3.48Å; L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S97 WeakPolarHBondContact CA-OG 3.29Å; L94-S97 PolarHBondContact O-N 3.48Å; L94-S97 PolarHBondContact O-OG 3.5Å; L94-A98 PolarHBondContact O-N 3.23Å; L94-V360 HydrophobicContact CD1-CB 4.39Å; L94-V360 HydrophobicContact CD1-CG1 3.94Å; L94-V360 HydrophobicContact CD1-CG2 4.46Å; L94-V360 HydrophobicContact CG-CG1 4.47Å; L94-M370 HydrophobicContact CB-CG 4.3Å; L94-M370 HydrophobicContact CB-SD 4.17Å; L94-M370 HydrophobicContact CD1-SD 4.47Å; L94-M370 HydrophobicContact CD2-SD 4.37Å; L94-F450 HydrophobicContact CB-CE2 4.46Å; L94-F450 HydrophobicContact CD2-CD2 4.24Å; L94-F450 HydrophobicContact CD2-CE2 4.02Å; L94-F450 HydrophobicContact CG-CD2 4.01Å; L94-F450 HydrophobicContact CG-CE2 3.84Å; L94-K453 HydrophobicContact CD1-CB 4.17Å; L94-K453 HydrophobicContact CD2-CB 3.82Å; L94-R454 HydrophobicContact CD2-CB 4.23Å
95L95.1Very high93Very high87 Ų8760 Ų6046%0.45533%0.332SS..Hα-helixtrans-64.1-38.8176.5-179.765.8000111.5R91 E92 A93 S97 A98 R358 F450R91-L95 WeakPolarHBondContact O-CB 3.5Å; R91-L95 PolarHBondContact O-N 3.1Å; E92-L95 PolarHBondContact O-N 3.49Å; A93-L95 VanDerWaalsContact C-N 3.34Å; A93-L95 PolarHBondContact O-N 3.18Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-A98 WeakPolarHBondContact O-CB 3.49Å; L95-A98 PolarHBondContact O-N 3.23Å; L95-R358 VanDerWaalsContact CD1-NH1 3.26Å; L95-F450 HydrophobicContact CB-CE2 4.34Å; L95-F450 HydrophobicContact CB-CZ 4.33Å; L95-F450 HydrophobicContact CD1-CE1 4.34Å; L95-F450 HydrophobicContact CD1-CE2 4.31Å; L95-F450 HydrophobicContact CD1-CZ 3.76Å
96S94.2Very high92.7Very high100 Ų10061.4 Ų61.470%0.69935%0.346SS*.Hα-helixtrans-70.8-28.1178.972.30000113.6E92 A93 L94E92-S96 WeakPolarHBondContact O-CB 3.47Å; E92-S96 PolarHBondContact O-N 3.13Å; E92-S96 PolarHBondContact O-OG 3.09Å; A93-S96 PolarHBondContact O-N 3.42Å; A93-S96 VanDerWaalsContact O-N 3.16Å; A93-S96 PolarHBondContact O-OG 3.26Å; L94-S96 VanDerWaalsContact C-N 3.32Å
97S92.2Very high92.3Very high29 Ų2966.5 Ų66.520%0.20337%0.369CS..Hα-helixtrans-84.4-10.1176.559.60000113.9A93 L94 L95A93-S97 PolarHBondContact O-N 3.08Å; A93-S97 PolarHBondContact O-OG 3.08Å; L94-S97 WeakPolarHBondContact CA-OG 3.29Å; L94-S97 PolarHBondContact O-N 3.48Å; L94-S97 PolarHBondContact O-OG 3.5Å; L95-S97 VanDerWaalsContact C-N 3.34Å
98A93.1Very high92Very high23 Ų2367 Ų6719%0.1937%0.369CS..  trans-71.2133.8-175.300000111.5L94 L95 R358 T359 V360 F450L94-A98 PolarHBondContact O-N 3.23Å; L95-A98 WeakPolarHBondContact O-CB 3.49Å; L95-A98 PolarHBondContact O-N 3.23Å; A98-R358 HydrophobicContact CB-CB 4.23Å; A98-T359 WeakPolarHBondContact CA-O 3.2Å; A98-V360 HydrophobicContact CB-CG1 4.11Å; A98-F450 HydrophobicContact CB-CD2 3.86Å; A98-F450 HydrophobicContact CB-CE2 4.36Å; A98-F450 HydrophobicContact CB-CG 4.28Å
99V91.8Very high91.8Very high50 Ų5067 Ų6730%0.30337%0.367SS..EExtended strand (participates in β ladder)trans-107.8131.9177.4-1770000109H101 R358 T359V99-H101 VanDerWaalsContact CG1-CE1 3.41Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.33Å; V99-H101 WeakPolarHBondContact CG1-NE2 3.42Å; V99-R358 CarbonylContact O-C 3.54Å; V99-R358 WeakPolarHBondContact O-CA 3.42Å; V99-T359 PolarHBondContact N-O 3.14Å; V99-T359 PolarHBondContact O-N 3.48Å; V99-T359 PolarHBondContact O-OG1 3.4Å
100D91.9Very high91.6Very high93 Ų9370.9 Ų70.950%0.49738%0.382SS..EExtended strand (participates in β ladder)trans-112.4116.7178.4-171.1-0.3000110.5G102 S357 R358D100-G102 PolarHBondContact OD1-N 3.35Å; D100-S357 VanDerWaalsContact OD1-CB 3.27Å; D100-S357 WeakPolarHBondContact OD1-CB 3.49Å; D100-S357 PolarHBondContact OD1-OG 3.49Å; D100-R358 HydrophobicContact CB-CG 4.02Å
101H87.6Confident91.3Very high49 Ų4971.5 Ų71.523%0.22739%0.386CS..  trans-112.413.8173.9-61.4132.5000113V99 S103 D104 K107 D111V99-H101 VanDerWaalsContact CG1-CE1 3.41Å; V99-H101 WeakPolarHBondContact CG1-CE1 3.33Å; V99-H101 WeakPolarHBondContact CG1-NE2 3.42Å; H101-S103 PolarHBondContact O-N 2.93Å; H101-D104 PolarHBondContact O-N 3.5Å; H101-K107 HydrophobicContact CB-CB 3.96Å; H101-D111 WeakPolarHBondContact CB-OD2 3.43Å; H101-D111 IonicContact CE1-OD2 3.44Å; H101-D111 IonicContact CG-OD2 3.77Å; H101-D111 IonicContact ND1-OD1 3.9Å; H101-D111 IonicContact ND1-OD2 3.64Å; H101-D111 PolarHBondContact ND1-OD2 2.94Å
102G82.7Confident91.2Very high36 Ų3666.3 Ų66.337%0.37137%0.366SS..THydrogen-bonded Turntrans-57.3-21.7-174.400000115.1D100D100-G102 PolarHBondContact OD1-N 3.35Å
103S84.6Confident91.1Very high125 Ų12563.6 Ų63.687%0.87435%0.354SS*.THydrogen-bonded Turntrans-79.8-19.7176.259.10000114.9H101H101-S103 PolarHBondContact O-N 2.93Å
104D89Confident91Very high59 Ų5964.8 Ų64.832%0.31636%0.359SS..  trans-109104.1-177.4-178.2-17.7000109.3H101 V106 K107 F108H101-D104 PolarHBondContact O-N 3.5Å; D104-V106 PolarHBondContact O-N 2.87Å; D104-V106 PolarHBondContact OD1-N 3.44Å; D104-V106 VanDerWaalsContact OD1-N 3.14Å; D104-K107 HydrophobicContact CB-CB 4.13Å; D104-K107 HydrophobicContact CB-CD 4.4Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 PolarHBondContact O-N 3.27Å; D104-K107 PolarHBondContact OD1-N 2.91Å; D104-K107 VanDerWaalsContact OD2-CD 3.27Å; D104-K107 WeakPolarHBondContact OD2-CD 3.15Å; D104-K107 WeakPolarHBondContact OD2-CE 3.39Å; D104-K107 WeakPolarHBondContact OD2-CG 3.29Å; D104-F108 WeakPolarHBondContact O-CB 3.29Å; D104-F108 PolarHBondContact O-N 3.44Å
105E87.2Confident90.9Very high170 Ų17064.9 Ų64.979%0.79436%0.359SS*.Hα-helixtrans-57.1-35.5-175-170.5179.8175.900113R109E105-R109 VanDerWaalsContact O-CB 3.28Å; E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 PolarHBondContact O-N 3.35Å
106V90.5Very high90.8Very high119 Ų11960.8 Ų60.872%0.72134%0.338SS*.Hα-helixtrans-73.1-46.9-177.4-179.60000110.3D104 Q110D104-V106 PolarHBondContact O-N 2.87Å; D104-V106 PolarHBondContact OD1-N 3.44Å; D104-V106 VanDerWaalsContact OD1-N 3.14Å; V106-Q110 PolarHBondContact O-N 3.22Å; V106-Q110 VanDerWaalsContact O-N 3.14Å
107K89.1Confident90.7Very high108 Ų10856.1 Ų56.147%0.4731%0.305SS..Hα-helixtrans-68.5-41.8177.1-71.2-175.5-174.5179.70111.8H101 D104 R109 Q110 D111H101-K107 HydrophobicContact CB-CB 3.96Å; D104-K107 HydrophobicContact CB-CB 4.13Å; D104-K107 HydrophobicContact CB-CD 4.4Å; D104-K107 HydrophobicContact CB-CG 4.43Å; D104-K107 PolarHBondContact O-N 3.27Å; D104-K107 PolarHBondContact OD1-N 2.91Å; D104-K107 VanDerWaalsContact OD2-CD 3.27Å; D104-K107 WeakPolarHBondContact OD2-CD 3.15Å; D104-K107 WeakPolarHBondContact OD2-CE 3.39Å; D104-K107 WeakPolarHBondContact OD2-CG 3.29Å; K107-R109 VanDerWaalsContact C-N 3.32Å; K107-R109 PolarHBondContact O-N 3.11Å; K107-Q110 CarbonylContact O-C 3.58Å; K107-Q110 WeakPolarHBondContact O-CA 3.41Å; K107-Q110 WeakPolarHBondContact O-CB 3.25Å; K107-Q110 PolarHBondContact O-N 3.47Å; K107-D111 PolarHBondContact O-N 3.03Å
108F90.1Very high90.7Very high26 Ų2655.7 Ų55.711%0.11430%0.302CS..Hα-helixtrans-61.5-41.7177.8-174-117.6000111.6D104 Q110 D111 L112 T353 V354D104-F108 WeakPolarHBondContact O-CB 3.29Å; D104-F108 PolarHBondContact O-N 3.44Å; F108-Q110 VanDerWaalsContact C-N 3.31Å; F108-Q110 PolarHBondContact O-N 2.94Å; F108-D111 WeakPolarHBondContact O-CB 3.4Å; F108-D111 PolarHBondContact O-N 3.45Å; F108-L112 HydrophobicContact CD1-CD1 4.11Å; F108-L112 HydrophobicContact CE1-CD1 3.71Å; F108-L112 HydrophobicContact CE1-CD2 4.4Å; F108-L112 HydrophobicContact CE1-CG 4.16Å; F108-L112 HydrophobicContact CE2-CD2 4.31Å; F108-L112 HydrophobicContact CE2-CG 4.42Å; F108-L112 HydrophobicContact CZ-CD1 4.09Å; F108-L112 HydrophobicContact CZ-CD2 3.93Å; F108-L112 HydrophobicContact CZ-CG 4.09Å; F108-L112 WeakPolarHBondContact O-CG 3.34Å; F108-L112 PolarHBondContact O-N 2.93Å; F108-T353 HydrophobicContact CE2-CG2 4.41Å; F108-V354 HydrophobicContact CE1-CG2 4.32Å; F108-V354 HydrophobicContact CZ-CG2 4.2Å
109R91.4Very high90.6Very high97 Ų9754.9 Ų54.937%0.36629%0.294SS..Hα-helixtrans-60.5-41.5172.3-176.5178176.299.91.6111.8E105 K107 L112 M113 V137 E138 L141E105-R109 VanDerWaalsContact O-CB 3.28Å; E105-R109 WeakPolarHBondContact O-CB 3.18Å; E105-R109 PolarHBondContact O-N 3.35Å; K107-R109 VanDerWaalsContact C-N 3.32Å; K107-R109 PolarHBondContact O-N 3.11Å; R109-L112 PolarHBondContact O-N 3.28Å; R109-M113 WeakPolarHBondContact O-CG 3.26Å; R109-M113 PolarHBondContact O-N 2.86Å; R109-V137 HydrophobicContact CG-CG1 4.45Å; R109-E138 IonicContact NH2-OE1 2.6Å; R109-L141 HydrophobicContact CG-CD1 4.35Å
110Q92.7Very high90.6Very high95 Ų9552.5 Ų52.544%0.44428%0.28SS..Hα-helixtrans-64.5-40.1176.4-173.260.947.600111.9V106 K107 F108 M113 N114V106-Q110 PolarHBondContact O-N 3.22Å; V106-Q110 VanDerWaalsContact O-N 3.14Å; K107-Q110 CarbonylContact O-C 3.58Å; K107-Q110 WeakPolarHBondContact O-CA 3.41Å; K107-Q110 WeakPolarHBondContact O-CB 3.25Å; K107-Q110 PolarHBondContact O-N 3.47Å; F108-Q110 VanDerWaalsContact C-N 3.31Å; F108-Q110 PolarHBondContact O-N 2.94Å; Q110-M113 PolarHBondContact O-N 3.18Å; Q110-N114 PolarHBondContact NE2-OD1 3.37Å; Q110-N114 WeakPolarHBondContact O-CB 3.39Å; Q110-N114 VanDerWaalsContact O-CG 3.23Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-OD1 3.47Å
111D91.8Very high90.4Very high13 Ų1350.7 Ų50.77%0.0728%0.275CS..Hα-helixtrans-61.6-44.3175.2-74.3-9.4000111.3H101 K107 F108 M113 N114 I115 T359H101-D111 WeakPolarHBondContact CB-OD2 3.43Å; H101-D111 IonicContact CE1-OD2 3.44Å; H101-D111 IonicContact CG-OD2 3.77Å; H101-D111 IonicContact ND1-OD1 3.9Å; H101-D111 IonicContact ND1-OD2 3.64Å; H101-D111 PolarHBondContact ND1-OD2 2.94Å; K107-D111 PolarHBondContact O-N 3.03Å; F108-D111 WeakPolarHBondContact O-CB 3.4Å; F108-D111 PolarHBondContact O-N 3.45Å; D111-M113 VanDerWaalsContact C-N 3.34Å; D111-M113 PolarHBondContact O-N 3.19Å; D111-N114 PolarHBondContact O-N 3.02Å; D111-I115 WeakPolarHBondContact O-CB 3.38Å; D111-I115 VanDerWaalsContact O-CG1 3.25Å; D111-I115 WeakPolarHBondContact O-CG1 3.28Å; D111-I115 PolarHBondContact O-N 3.49Å; D111-T359 HydrophobicContact CB-CG2 4.04Å
112L93.1Very high90.1Very high0 Ų051.5 Ų51.50%029%0.286CS..Hα-helixtrans-61.1-42174.1-67.3177.2000111.7F108 R109 I115 A116 V137 L141 L350 T353 V354F108-L112 HydrophobicContact CD1-CD1 4.11Å; F108-L112 HydrophobicContact CE1-CD1 3.71Å; F108-L112 HydrophobicContact CE1-CD2 4.4Å; F108-L112 HydrophobicContact CE1-CG 4.16Å; F108-L112 HydrophobicContact CE2-CD2 4.31Å; F108-L112 HydrophobicContact CE2-CG 4.42Å; F108-L112 HydrophobicContact CZ-CD1 4.09Å; F108-L112 HydrophobicContact CZ-CD2 3.93Å; F108-L112 HydrophobicContact CZ-CG 4.09Å; F108-L112 WeakPolarHBondContact O-CG 3.34Å; F108-L112 PolarHBondContact O-N 2.93Å; R109-L112 PolarHBondContact O-N 3.28Å; L112-I115 PolarHBondContact O-N 3.05Å; L112-A116 WeakPolarHBondContact O-CB 3.43Å; L112-A116 PolarHBondContact O-N 2.92Å; L112-V137 HydrophobicContact CB-CG1 4.16Å; L112-V137 HydrophobicContact CB-CG2 4.02Å; L112-L141 HydrophobicContact CD1-CD2 3.86Å; L112-L141 HydrophobicContact CD1-CG 4.31Å; L112-L350 HydrophobicContact CB-CD2 3.84Å; L112-L350 HydrophobicContact CD2-CD2 3.62Å; L112-L350 HydrophobicContact CG-CD2 4.29Å; L112-L350 WeakPolarHBondContact O-CD2 3.25Å; L112-T353 HydrophobicContact CD2-CG2 3.88Å; L112-V354 HydrophobicContact CD1-CG2 4.48Å; L112-V354 HydrophobicContact CD2-CG2 4.37Å
113M93.9Very high90.1Very high45 Ų4550.7 Ų50.722%0.22227%0.272CS..Hα-helixtrans-62.9-43.1175.3-71.8-168.773.600112R109 Q110 D111 G117 T133 K134 V137R109-M113 WeakPolarHBondContact O-CG 3.26Å; R109-M113 PolarHBondContact O-N 2.86Å; Q110-M113 PolarHBondContact O-N 3.18Å; D111-M113 VanDerWaalsContact C-N 3.34Å; D111-M113 PolarHBondContact O-N 3.19Å; M113-G117 PolarHBondContact O-N 2.92Å; M113-T133 HydrophobicContact CB-CG2 4.22Å; M113-T133 WeakPolarHBondContact O-CG2 3.41Å; M113-K134 HydrophobicContact CE-CG 3.84Å; M113-V137 HydrophobicContact CG-CG1 4.39Å; M113-V137 HydrophobicContact CG-CG2 4.14Å
114N93.4Very high90Very high37 Ų3747.3 Ų47.320%0.19824%0.244CC..Hα-helixtrans-66-44.2178.3-69.4-11.4000111.3Q110 D111 G117 T118 G445 T447Q110-N114 PolarHBondContact NE2-OD1 3.37Å; Q110-N114 WeakPolarHBondContact O-CB 3.39Å; Q110-N114 VanDerWaalsContact O-CG 3.23Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-OD1 3.47Å; D111-N114 PolarHBondContact O-N 3.02Å; N114-G117 PolarHBondContact O-N 2.9Å; N114-T118 WeakPolarHBondContact O-CB 3.43Å; N114-T118 PolarHBondContact O-N 3.23Å; N114-T118 PolarHBondContact O-OG1 3.1Å; N114-G445 WeakPolarHBondContact CB-O 3.5Å; N114-T447 WeakPolarHBondContact CB-OG1 3.41Å
115I93.5Very high89.5Confident1 Ų144.6 Ų44.61%0.00523%0.229CC..Hα-helixtrans-62.7-51.7178.3-71.6168000111.4D111 L112 G117 T118 T119 V349 T353 T359 T447D111-I115 WeakPolarHBondContact O-CB 3.38Å; D111-I115 VanDerWaalsContact O-CG1 3.25Å; D111-I115 WeakPolarHBondContact O-CG1 3.28Å; D111-I115 PolarHBondContact O-N 3.49Å; L112-I115 PolarHBondContact O-N 3.05Å; I115-G117 VanDerWaalsContact C-N 3.26Å; I115-G117 PolarHBondContact O-N 3.35Å; I115-T118 PolarHBondContact O-N 3.18Å; I115-T119 PolarHBondContact O-N 3.39Å; I115-T119 PolarHBondContact O-OG1 3.11Å; I115-V349 HydrophobicContact CG2-CG1 3.45Å; I115-V349 VanDerWaalsContact CG2-CG1 3.45Å; I115-T353 HydrophobicContact CD1-CG2 3.66Å; I115-T359 HydrophobicContact CD1-CG2 3.72Å; I115-T447 WeakPolarHBondContact CA-O 3.12Å
116A93.4Very high89.2Confident1 Ų139.4 Ų39.41%0.00821%0.21CC..Hα-helixtrans-61.2-39.517700000111.5L112 T118 T119 L120 T133 V137 L350L112-A116 WeakPolarHBondContact O-CB 3.43Å; L112-A116 PolarHBondContact O-N 2.92Å; A116-T118 VanDerWaalsContact C-N 3.31Å; A116-T118 PolarHBondContact O-N 3.36Å; A116-T119 PolarHBondContact O-N 3.42Å; A116-L120 WeakPolarHBondContact O-CB 3.19Å; A116-L120 VanDerWaalsContact O-CG 3.23Å; A116-L120 WeakPolarHBondContact O-CG 3.2Å; A116-L120 PolarHBondContact O-N 3.07Å; A116-T133 HydrophobicContact CB-CG2 3.98Å; A116-V137 HydrophobicContact CB-CG2 4.22Å; A116-L350 HydrophobicContact CB-CD1 3.96Å; A116-L350 HydrophobicContact CB-CD2 4.04Å; A116-L350 HydrophobicContact CB-CG 4.19Å
117G92.8Very high88.8Confident2 Ų241.7 Ų41.72%0.02121%0.212CC..Hα-helixtrans-59.5-41.217300000112.8M113 N114 I115 S121 K129M113-G117 PolarHBondContact O-N 2.92Å; N114-G117 PolarHBondContact O-N 2.9Å; I115-G117 VanDerWaalsContact C-N 3.26Å; I115-G117 PolarHBondContact O-N 3.35Å; G117-S121 WeakPolarHBondContact O-CB 3.39Å; G117-S121 PolarHBondContact O-N 3.33Å; G117-K129 VanDerWaalsContact C-CE 3.46Å; G117-K129 WeakPolarHBondContact O-CD 3.25Å; G117-K129 WeakPolarHBondContact O-CE 3.26Å; G117-K129 PolarHBondContact O-NZ 3.25Å
118T91.7Very high88.7Confident20 Ų2039.6 Ų39.612%0.12320%0.204CC..Hα-helixtrans-67.9-49.4178.4-59.30000110.8N114 I115 A116 L120 S121 I446 T447 E448N114-T118 WeakPolarHBondContact O-CB 3.43Å; N114-T118 PolarHBondContact O-N 3.23Å; N114-T118 PolarHBondContact O-OG1 3.1Å; I115-T118 PolarHBondContact O-N 3.18Å; A116-T118 VanDerWaalsContact C-N 3.31Å; A116-T118 PolarHBondContact O-N 3.36Å; T118-L120 VanDerWaalsContact C-N 3.31Å; T118-L120 PolarHBondContact O-N 2.66Å; T118-S121 WeakPolarHBondContact O-CB 3.18Å; T118-S121 PolarHBondContact O-N 3.48Å; T118-S121 VanDerWaalsContact O-N 3.13Å; T118-S121 PolarHBondContact O-OG 3.45Å; T118-I446 HydrophobicContact CG2-CG2 4.2Å; T118-T447 WeakPolarHBondContact CB-O 3.4Å; T118-T447 PolarHBondContact OG1-O 2.85Å; T118-T447 VanDerWaalsContact OG1-O 3.14Å; T118-E448 HydrophobicContact CG2-CG 3.76Å
119T91Very high88.6Confident6 Ų641 Ų414%0.03721%0.21CC..Hα-helixtrans-61.1-36.2178.6-65.20000112.8D50 I115 A116 K123 D345 A346 V349D50-T119 HydrophobicContact CB-CG2 4.48Å; D50-T119 WeakPolarHBondContact OD2-CG2 3.32Å; D50-T119 PolarHBondContact OD2-OG1 3.17Å; I115-T119 PolarHBondContact O-N 3.39Å; I115-T119 PolarHBondContact O-OG1 3.11Å; A116-T119 PolarHBondContact O-N 3.42Å; T119-K123 WeakPolarHBondContact O-CE 3.45Å; T119-D345 HydrophobicContact CG2-CB 4.5Å; T119-A346 HydrophobicContact CG2-CB 4.3Å; T119-V349 HydrophobicContact CG2-CG2 4.49Å
120L90.8Very high88.6Confident0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-79.7-16.2179-67.4174.5000113.9A116 T118 S122 K123 L125 T126 F132 S342 A346A116-L120 WeakPolarHBondContact O-CB 3.19Å; A116-L120 VanDerWaalsContact O-CG 3.23Å; A116-L120 WeakPolarHBondContact O-CG 3.2Å; A116-L120 PolarHBondContact O-N 3.07Å; T118-L120 VanDerWaalsContact C-N 3.31Å; T118-L120 PolarHBondContact O-N 2.66Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.88Å; L120-K123 PolarHBondContact O-N 3.41Å; L120-L125 HydrophobicContact CD2-CB 4.39Å; L120-L125 HydrophobicContact CD2-CD1 3.96Å; L120-T126 PolarHBondContact O-OG1 3.43Å; L120-F132 HydrophobicContact CD1-CB 3.79Å; L120-S342 WeakPolarHBondContact CD2-O 3.26Å; L120-A346 HydrophobicContact CD2-CB 3.95Å; L120-A346 HydrophobicContact CG-CB 4.08Å
121S87.3Confident88.5Confident56 Ų5640.6 Ų40.639%0.39222%0.216SC..THydrogen-bonded Turntrans-71.7-16.1-173.469.20000115.3G117 T118 T126G117-S121 WeakPolarHBondContact O-CB 3.39Å; G117-S121 PolarHBondContact O-N 3.33Å; T118-S121 WeakPolarHBondContact O-CB 3.18Å; T118-S121 PolarHBondContact O-N 3.48Å; T118-S121 VanDerWaalsContact O-N 3.13Å; T118-S121 PolarHBondContact O-OG 3.45Å; S121-T126 VanDerWaalsContact C-OG1 3.27Å; S121-T126 PolarHBondContact O-OG1 3.38Å
122S82Confident88.6Confident66 Ų6640 Ų4046%0.46221%0.213SC..THydrogen-bonded Turntrans-97.1-0.8178.357.40000113.2N18 L120N18-S122 PolarHBondContact ND2-O 3.39Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.88Å
123K83.9Confident88.6Confident18 Ų1840.3 Ų40.38%0.07821%0.214CC..SBendtrans-118.5172-168-53.2-174.3-173.1177.50112.3T119 L120 L125 T126 S342 D345T119-K123 WeakPolarHBondContact O-CE 3.45Å; L120-K123 PolarHBondContact O-N 3.41Å; K123-L125 PolarHBondContact O-N 3.34Å; K123-T126 WeakPolarHBondContact O-CB 3.26Å; K123-T126 PolarHBondContact O-N 3.44Å; K123-T126 PolarHBondContact O-OG1 3.32Å; K123-S342 WeakPolarHBondContact CB-OG 3.31Å; K123-D345 VanDerWaalsContact NZ-CG 3.28Å; K123-D345 IonicContact NZ-OD2 3.93Å; K123-D345 PolarHBondContact NZ-OD2 3.14Å
124L80.8Confident88.6Confident55 Ų5543.3 Ų43.329%0.28823%0.226SC..G310 helixtrans-53.7-30.8-178.7-17467.2000113.3T126 I335 E338L124-T126 PolarHBondContact O-N 3.18Å; L124-T126 VanDerWaalsContact O-N 3.14Å; L124-I335 HydrophobicContact CD2-CB 4.25Å; L124-I335 HydrophobicContact CD2-CG1 4.19Å; L124-I335 HydrophobicContact CD2-CG2 3.97Å; L124-E338 HydrophobicContact CB-CG 4.01Å; L124-E338 HydrophobicContact CD2-CB 4.08Å; L124-E338 HydrophobicContact CD2-CG 4.16Å
125L79Confident88.6Confident1 Ų142 Ų421%0.00522%0.219CC..G310 helixtrans-70.9-1.6-179.6-62.4-175.2000114.4L120 K123 H127 H128 K129 F132 L162 A339 L343L120-L125 HydrophobicContact CD2-CB 4.39Å; L120-L125 HydrophobicContact CD2-CD1 3.96Å; K123-L125 PolarHBondContact O-N 3.34Å; L125-H127 PolarHBondContact O-N 2.99Å; L125-H127 VanDerWaalsContact O-N 3.16Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 VanDerWaalsContact O-C 3.3Å; L125-H128 PolarHBondContact O-N 3.37Å; L125-K129 PolarHBondContact O-N 3.41Å; L125-F132 HydrophobicContact CB-CD2 4.19Å; L125-F132 HydrophobicContact CD1-CB 4.34Å; L125-F132 HydrophobicContact CD1-CD1 3.99Å; L125-F132 HydrophobicContact CD1-CD2 4.21Å; L125-F132 HydrophobicContact CD1-CE1 4.37Å; L125-F132 HydrophobicContact CD1-CG 3.91Å; L125-F132 HydrophobicContact CD2-CD2 3.89Å; L125-F132 HydrophobicContact CD2-CE1 4.34Å; L125-F132 HydrophobicContact CD2-CE2 3.62Å; L125-F132 HydrophobicContact CD2-CG 4.38Å; L125-F132 HydrophobicContact CD2-CZ 3.86Å; L125-F132 HydrophobicContact CG-CD2 4.33Å; L125-L162 HydrophobicContact CD2-CD1 4.17Å; L125-L162 HydrophobicContact CD2-CD2 4.16Å; L125-A339 HydrophobicContact CD2-CB 3.71Å; L125-A339 HydrophobicContact CG-CB 4.44Å; L125-L343 HydrophobicContact CD1-CB 4.49Å
126T80.1Confident88.5Confident62 Ų6242 Ų4238%0.3822%0.219SC..G310 helixtrans-53.6-37.4-178.7-62.10000113.1L120 S121 K123 L124 H128 K129L120-T126 PolarHBondContact O-OG1 3.43Å; S121-T126 VanDerWaalsContact C-OG1 3.27Å; S121-T126 PolarHBondContact O-OG1 3.38Å; K123-T126 WeakPolarHBondContact O-CB 3.26Å; K123-T126 PolarHBondContact O-N 3.44Å; K123-T126 PolarHBondContact O-OG1 3.32Å; L124-T126 PolarHBondContact O-N 3.18Å; L124-T126 VanDerWaalsContact O-N 3.14Å; T126-H128 PolarHBondContact O-N 3.4Å; T126-K129 WeakPolarHBondContact O-CB 3.27Å; T126-K129 PolarHBondContact O-N 3.07Å
127H83.3Confident88.5Confident167 Ų16742 Ų4277%0.77322%0.219SC*.G310 helixtrans-63.8-26.3179.1-66-66.5000114L125L125-H127 PolarHBondContact O-N 2.99Å; L125-H127 VanDerWaalsContact O-N 3.16Å
128H87Confident88.4Confident64 Ų6445.5 Ų45.530%0.29624%0.235SC..G310 helixtrans-121.830.1178.4-61.7-61.6000111L125 T126 D130 H131 F132L125-H128 CarbonylContact O-C 3.59Å; L125-H128 VanDerWaalsContact O-C 3.3Å; L125-H128 PolarHBondContact O-N 3.37Å; T126-H128 PolarHBondContact O-N 3.4Å; H128-D130 VanDerWaalsContact C-N 3.31Å; H128-D130 PolarHBondContact O-N 3.36Å; H128-H131 WeakPolarHBondContact O-CB 3.37Å; H128-H131 PolarHBondContact O-N 2.68Å; H128-H131 VanDerWaalsContact O-N 3.07Å; H128-F132 HydrophobicContact CB-CD2 3.82Å; H128-F132 HydrophobicContact CB-CE2 3.83Å; H128-F132 WeakPolarHBondContact O-CD2 3.42Å; H128-F132 PolarHBondContact O-N 3.25Å; H128-F132 VanDerWaalsContact O-N 3.12Å
129K87.3Confident88.4Confident54 Ų5444.6 Ų44.624%0.23523%0.229CC..Hα-helixtrans-50.6-48.9-173.9169174.4153160.10112.1G117 L125 T126 H131 F132 T133G117-K129 VanDerWaalsContact C-CE 3.46Å; G117-K129 WeakPolarHBondContact O-CD 3.25Å; G117-K129 WeakPolarHBondContact O-CE 3.26Å; G117-K129 PolarHBondContact O-NZ 3.25Å; L125-K129 PolarHBondContact O-N 3.41Å; T126-K129 WeakPolarHBondContact O-CB 3.27Å; T126-K129 PolarHBondContact O-N 3.07Å; K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 3.45Å; K129-F132 PolarHBondContact O-N 3.03Å; K129-T133 WeakPolarHBondContact O-CB 3.33Å; K129-T133 PolarHBondContact O-N 3.06Å; K129-T133 PolarHBondContact O-OG1 2.95Å
130D91Very high88.3Confident120 Ų12044.5 Ų44.564%0.64223%0.229SC*.Hα-helixtrans-63.2-34.4-176-63.4-20.4000112.8H128 K134H128-D130 VanDerWaalsContact C-N 3.31Å; H128-D130 PolarHBondContact O-N 3.36Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.36Å; D130-K134 PolarHBondContact O-N 3.18Å
131H92.3Very high88.2Confident65 Ų6547.4 Ų47.430%0.30124%0.244SC..Hα-helixtrans-69.5-54.4177.7-175.861000111H128 K129 T133 K134 L135 A163 S165H128-H131 WeakPolarHBondContact O-CB 3.37Å; H128-H131 PolarHBondContact O-N 2.68Å; H128-H131 VanDerWaalsContact O-N 3.07Å; K129-H131 VanDerWaalsContact C-N 3.26Å; K129-H131 PolarHBondContact O-N 3.45Å; H131-T133 VanDerWaalsContact C-N 3.3Å; H131-T133 PolarHBondContact O-N 3.46Å; H131-K134 PolarHBondContact O-N 3.16Å; H131-L135 WeakPolarHBondContact O-CG 3.42Å; H131-L135 PolarHBondContact O-N 3.5Å; H131-A163 PolarHBondContact NE2-O 3.22Å; H131-S165 PolarHBondContact CE1-O 3.27Å; H131-S165 PolarHBondContact NE2-O 3.31Å
132F92.9Very high88Confident0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-66.2-31.9179.5-75.6-75.3000113.1L120 L125 H128 K129 L135 A136 L162 L328L120-F132 HydrophobicContact CD1-CB 3.79Å; L125-F132 HydrophobicContact CB-CD2 4.19Å; L125-F132 HydrophobicContact CD1-CB 4.34Å; L125-F132 HydrophobicContact CD1-CD1 3.99Å; L125-F132 HydrophobicContact CD1-CD2 4.21Å; L125-F132 HydrophobicContact CD1-CE1 4.37Å; L125-F132 HydrophobicContact CD1-CG 3.91Å; L125-F132 HydrophobicContact CD2-CD2 3.89Å; L125-F132 HydrophobicContact CD2-CE1 4.34Å; L125-F132 HydrophobicContact CD2-CE2 3.62Å; L125-F132 HydrophobicContact CD2-CG 4.38Å; L125-F132 HydrophobicContact CD2-CZ 3.86Å; L125-F132 HydrophobicContact CG-CD2 4.33Å; H128-F132 HydrophobicContact CB-CD2 3.82Å; H128-F132 HydrophobicContact CB-CE2 3.83Å; H128-F132 WeakPolarHBondContact O-CD2 3.42Å; H128-F132 PolarHBondContact O-N 3.25Å; H128-F132 VanDerWaalsContact O-N 3.12Å; K129-F132 PolarHBondContact O-N 3.03Å; F132-L135 HydrophobicContact CD1-CD1 4.17Å; F132-L135 HydrophobicContact CE1-CD1 4.41Å; F132-L135 PolarHBondContact O-N 3.4Å; F132-A136 VanDerWaalsContact O-CB 3.31Å; F132-A136 WeakPolarHBondContact O-CB 3.25Å; F132-A136 PolarHBondContact O-N 3.38Å; F132-L162 HydrophobicContact CE2-CB 4.22Å; F132-L162 HydrophobicContact CZ-CB 4.31Å; F132-L162 HydrophobicContact CZ-CD2 4.17Å; F132-L162 WeakPolarHBondContact CZ-O 3.12Å; F132-L328 HydrophobicContact CE1-CD2 3.6Å; F132-L328 HydrophobicContact CZ-CD2 4.32Å
133T93.1Very high88Confident6 Ų644.4 Ų44.44%0.03721%0.214CC..Hα-helixtrans-60.7-48.9172.8-61.70000110.6M113 A116 K129 H131 A136 V137M113-T133 HydrophobicContact CB-CG2 4.22Å; M113-T133 WeakPolarHBondContact O-CG2 3.41Å; A116-T133 HydrophobicContact CB-CG2 3.98Å; K129-T133 WeakPolarHBondContact O-CB 3.33Å; K129-T133 PolarHBondContact O-N 3.06Å; K129-T133 PolarHBondContact O-OG1 2.95Å; H131-T133 VanDerWaalsContact C-N 3.3Å; H131-T133 PolarHBondContact O-N 3.46Å; T133-A136 PolarHBondContact O-N 3.43Å; T133-V137 WeakPolarHBondContact O-CB 3.4Å; T133-V137 VanDerWaalsContact O-CG2 3.27Å; T133-V137 WeakPolarHBondContact O-CG2 3.49Å; T133-V137 PolarHBondContact O-N 2.89Å
134K93.8Very high87.6Confident108 Ų10851.4 Ų51.447%0.4724%0.244SC..Hα-helixtrans-62.5-46.2177.3-72.6171.7-175.5176.90111.6M113 D130 H131 A136 V137 E138M113-K134 HydrophobicContact CE-CG 3.84Å; D130-K134 VanDerWaalsContact O-CG 3.28Å; D130-K134 WeakPolarHBondContact O-CG 3.36Å; D130-K134 PolarHBondContact O-N 3.18Å; H131-K134 PolarHBondContact O-N 3.16Å; K134-A136 PolarHBondContact O-N 3.23Å; K134-V137 PolarHBondContact O-N 2.92Å; K134-E138 WeakPolarHBondContact O-CB 3.48Å; K134-E138 WeakPolarHBondContact O-CG 3.34Å; K134-E138 PolarHBondContact O-N 3.36Å
135L92.8Very high87.1Confident11 Ų1151 Ų516%0.05825%0.253CS..Hα-helixtrans-58.2-47.7178.4-69.1174.8000112.2H131 F132 E138 A139 L167H131-L135 WeakPolarHBondContact O-CG 3.42Å; H131-L135 PolarHBondContact O-N 3.5Å; F132-L135 HydrophobicContact CD1-CD1 4.17Å; F132-L135 HydrophobicContact CE1-CD1 4.41Å; F132-L135 PolarHBondContact O-N 3.4Å; L135-E138 PolarHBondContact O-N 3.04Å; L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.83Å; L135-L167 HydrophobicContact CD2-CB 3.55Å
136A93Very high86.7Confident0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-64.2-44.1-179.500000111.8F132 T133 K134 A139 V140 L343 L347 L350F132-A136 VanDerWaalsContact O-CB 3.31Å; F132-A136 WeakPolarHBondContact O-CB 3.25Å; F132-A136 PolarHBondContact O-N 3.38Å; T133-A136 PolarHBondContact O-N 3.43Å; K134-A136 PolarHBondContact O-N 3.23Å; A136-A139 PolarHBondContact O-N 2.56Å; A136-V140 WeakPolarHBondContact O-CG2 3.43Å; A136-V140 PolarHBondContact O-N 2.81Å; A136-L343 HydrophobicContact CB-CD1 3.93Å; A136-L347 HydrophobicContact CB-CD2 4.11Å; A136-L350 HydrophobicContact CB-CD1 3.8Å
137V92.9Very high86.4Confident0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-65.5-42.9178.1173.20000111.4R109 L112 M113 A116 T133 K134 V140 L141 L350R109-V137 HydrophobicContact CG-CG1 4.45Å; L112-V137 HydrophobicContact CB-CG1 4.16Å; L112-V137 HydrophobicContact CB-CG2 4.02Å; M113-V137 HydrophobicContact CG-CG1 4.39Å; M113-V137 HydrophobicContact CG-CG2 4.14Å; A116-V137 HydrophobicContact CB-CG2 4.22Å; T133-V137 WeakPolarHBondContact O-CB 3.4Å; T133-V137 VanDerWaalsContact O-CG2 3.27Å; T133-V137 WeakPolarHBondContact O-CG2 3.49Å; T133-V137 PolarHBondContact O-N 2.89Å; K134-V137 PolarHBondContact O-N 2.92Å; V137-V140 PolarHBondContact O-N 3.25Å; V137-L141 HydrophobicContact CG1-CD1 3.7Å; V137-L141 HydrophobicContact CG1-CG 4.21Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 VanDerWaalsContact O-CG 3.23Å; V137-L141 WeakPolarHBondContact O-CG 3.21Å; V137-L141 PolarHBondContact O-N 2.9Å; V137-L350 HydrophobicContact CG2-CD1 4.08Å; V137-L350 HydrophobicContact CG2-CD2 4.32Å
138E91.3Very high86.1Confident77 Ų7746.2 Ų46.236%0.3624%0.239SC..Hα-helixtrans-64-40.4176.7-74.6177.1-177.400112.4R109 K134 L135 R142 L167R109-E138 IonicContact NH2-OE1 2.6Å; K134-E138 WeakPolarHBondContact O-CB 3.48Å; K134-E138 WeakPolarHBondContact O-CG 3.34Å; K134-E138 PolarHBondContact O-N 3.36Å; L135-E138 PolarHBondContact O-N 3.04Å; E138-R142 WeakPolarHBondContact O-CG 3.48Å; E138-R142 PolarHBondContact O-N 3.42Å; E138-L167 HydrophobicContact CB-CD2 3.61Å
139A91.2Very high85.8Confident0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-63.6-44.6176.400000112L135 A136 R142 I152 L167 I326 L347L135-A139 WeakPolarHBondContact O-CB 3.34Å; L135-A139 PolarHBondContact O-N 2.83Å; A136-A139 PolarHBondContact O-N 2.56Å; A139-R142 WeakPolarHBondContact O-CB 3.27Å; A139-R142 PolarHBondContact O-N 2.88Å; A139-I152 HydrophobicContact CB-CD1 3.92Å; A139-I152 HydrophobicContact CB-CG2 4.41Å; A139-L167 HydrophobicContact CB-CD1 3.93Å; A139-L167 HydrophobicContact CB-CD2 4.36Å; A139-I326 HydrophobicContact CB-CD1 3.94Å; A139-L347 HydrophobicContact CB-CD2 4.19Å
140V89.7Confident85.4Confident4 Ų448.7 Ų48.72%0.02425%0.253CS..Hα-helixtrans-72.2-38.2-179.41730000112.3A136 V137 R142 L143 I152 L347 L350 V354A136-V140 WeakPolarHBondContact O-CG2 3.43Å; A136-V140 PolarHBondContact O-N 2.81Å; V137-V140 PolarHBondContact O-N 3.25Å; V140-R142 PolarHBondContact O-N 3.1Å; V140-L143 VanDerWaalsContact O-CB 3.32Å; V140-L143 WeakPolarHBondContact O-CB 3.45Å; V140-L143 PolarHBondContact O-N 2.97Å; V140-I152 HydrophobicContact CG2-CD1 4.26Å; V140-L347 HydrophobicContact CG2-CD2 3.61Å; V140-L350 HydrophobicContact CB-CB 4.23Å; V140-L350 HydrophobicContact CB-CD1 4.47Å; V140-L350 HydrophobicContact CG1-CB 4.07Å; V140-L350 HydrophobicContact CG2-CB 3.8Å; V140-L350 HydrophobicContact CG2-CD1 4.04Å; V140-V354 HydrophobicContact CG1-CG2 3.7Å
141L87.3Confident85Confident62 Ų6243 Ų4333%0.32522%0.223SC..Hα-helixtrans-63.4-30.1176-73.6173.6000112.2R109 L112 V137 L143 K144R109-L141 HydrophobicContact CG-CD1 4.35Å; L112-L141 HydrophobicContact CD1-CD2 3.86Å; L112-L141 HydrophobicContact CD1-CG 4.31Å; V137-L141 HydrophobicContact CG1-CD1 3.7Å; V137-L141 HydrophobicContact CG1-CG 4.21Å; V137-L141 WeakPolarHBondContact O-CB 3.41Å; V137-L141 VanDerWaalsContact O-CG 3.23Å; V137-L141 WeakPolarHBondContact O-CG 3.21Å; V137-L141 PolarHBondContact O-N 2.9Å; L141-L143 PolarHBondContact O-N 2.94Å; L141-K144 PolarHBondContact O-N 2.75Å
142R84.1Confident84.7Confident56 Ų5640.5 Ų40.521%0.21121%0.212CC..Hα-helixtrans-65.1-25.1173.1-78.2-177.4179.2154.96113.5E138 A139 V140 K144 L167 E169 E322E138-R142 WeakPolarHBondContact O-CG 3.48Å; E138-R142 PolarHBondContact O-N 3.42Å; A139-R142 WeakPolarHBondContact O-CB 3.27Å; A139-R142 PolarHBondContact O-N 2.88Å; V140-R142 PolarHBondContact O-N 3.1Å; R142-K144 PolarHBondContact O-N 2.84Å; R142-L167 VanDerWaalsContact NH1-CD2 3.31Å; R142-E169 IonicContact CZ-OE1 3.44Å; R142-E169 VanDerWaalsContact NH2-CG 3.31Å; R142-E169 IonicContact NH2-OE1 3.14Å; R142-E169 PolarHBondContact NH2-OE1 2.8Å; R142-E322 WeakPolarHBondContact O-CA 3.34Å; R142-E322 VanDerWaalsContact O-CB 3.25Å; R142-E322 WeakPolarHBondContact O-CB 3.43Å; R142-E322 VanDerWaalsContact O-CG 3.32Å; R142-E322 WeakPolarHBondContact O-CG 3.48Å
143L80.9Confident84.5Confident2 Ų242 Ų421%0.0122%0.219CC..THydrogen-bonded Turntrans-70.2-8.9176.6-61.1-179.3000113.9V140 L141 G145 S146 A151 I152V140-L143 VanDerWaalsContact O-CB 3.32Å; V140-L143 WeakPolarHBondContact O-CB 3.45Å; V140-L143 PolarHBondContact O-N 2.97Å; L141-L143 PolarHBondContact O-N 2.94Å; L143-G145 PolarHBondContact O-N 3.28Å; L143-S146 WeakPolarHBondContact O-CB 3.46Å; L143-S146 PolarHBondContact O-N 2.96Å; L143-S146 PolarHBondContact O-OG 2.97Å; L143-A151 HydrophobicContact CD2-CB 3.66Å; L143-I152 HydrophobicContact CD1-CD1 3.71Å; L143-I152 HydrophobicContact CD1-CG1 4.07Å; L143-I152 HydrophobicContact CD2-CD1 4.5Å; L143-I152 HydrophobicContact CD2-CG1 4.03Å; L143-I152 HydrophobicContact CG-CD1 4.15Å; L143-I152 HydrophobicContact CG-CG1 4.23Å
144K75.4Confident84.5Confident165 Ų16543.1 Ų43.172%0.71722%0.224SC*.THydrogen-bonded Turntrans4833.8175.4-63.3178.8-176.6173.90114.9L141 R142 E322L141-K144 PolarHBondContact O-N 2.75Å; R142-K144 PolarHBondContact O-N 2.84Å; K144-E322 HydrophobicContact CD-CG 4.38Å
145G71.3Confident84.3Confident46 Ų4638.3 Ų38.347%0.47420%0.204SC..THydrogen-bonded Turntrans81.44.3178.700000115.7L143 G147L143-G145 PolarHBondContact O-N 3.28Å; G145-G147 PolarHBondContact O-N 3.14Å
146S71Confident84.3Confident61 Ų6140.8 Ų40.843%0.42721%0.214SC..  trans-60.4-29.5170.666.40000111.6L143 N148 E322L143-S146 WeakPolarHBondContact O-CB 3.46Å; L143-S146 PolarHBondContact O-N 2.96Å; L143-S146 PolarHBondContact O-OG 2.97Å; S146-N148 PolarHBondContact O-N 2.96Å; S146-N148 VanDerWaalsContact O-N 3.09Å; S146-E322 PolarHBondContact OG-OE2 3.49Å
147G72.7Confident84.3Confident14 Ų1441 Ų4114%0.14422%0.215CC..  trans6312.9-179.800000113.1G145 L149G145-G147 PolarHBondContact O-N 3.14Å; G147-L149 PolarHBondContact O-N 3.35Å
148N76.7Confident84.3Confident55 Ų5545.6 Ų45.629%0.29424%0.239SC..  trans-88.496.7178.4-168.90.5000109.9S146 E150 A151S146-N148 PolarHBondContact O-N 2.96Å; S146-N148 VanDerWaalsContact O-N 3.09Å; N148-E150 PolarHBondContact O-N 3.04Å; N148-E150 VanDerWaalsContact O-N 3.16Å; N148-E150 VanDerWaalsContact OD1-CB 3.27Å; N148-E150 WeakPolarHBondContact OD1-CB 3.45Å; N148-E150 WeakPolarHBondContact OD1-CG 3.37Å; N148-E150 PolarHBondContact OD1-N 2.97Å; N148-E150 VanDerWaalsContact OD1-N 3.1Å; N148-A151 PolarHBondContact O-N 3.23Å
149L82.2Confident84.3Confident52 Ų5243.4 Ų43.427%0.27224%0.237SC..G310 helixtrans-61.3-19.8177.8-68171.8000112.9G147 A151 I152 L347 C348 A351G147-L149 PolarHBondContact O-N 3.35Å; L149-A151 PolarHBondContact O-N 3.22Å; L149-A151 VanDerWaalsContact O-N 3.16Å; L149-I152 HydrophobicContact CD2-CD1 4.42Å; L149-I152 PolarHBondContact O-N 2.89Å; L149-L347 HydrophobicContact CD2-CB 3.99Å; L149-C348 HydrophobicContact CD1-CB 4.39Å; L149-C348 VanDerWaalsContact CD1-SG 3.55Å; L149-A351 HydrophobicContact CD1-CB 4.39Å; L149-A351 HydrophobicContact CD2-CB 3.71Å; L149-A351 HydrophobicContact CG-CB 4.09Å
150E78.9Confident84.1Confident119 Ų11945.4 Ų45.456%0.55626%0.257SS*.G310 helixtrans-63.2-21.1177.7-62.2178.9162.700113.1N148 I152 R275N148-E150 PolarHBondContact O-N 3.04Å; N148-E150 VanDerWaalsContact O-N 3.16Å; N148-E150 VanDerWaalsContact OD1-CB 3.27Å; N148-E150 WeakPolarHBondContact OD1-CB 3.45Å; N148-E150 WeakPolarHBondContact OD1-CG 3.37Å; N148-E150 PolarHBondContact OD1-N 2.97Å; N148-E150 VanDerWaalsContact OD1-N 3.1Å; E150-I152 VanDerWaalsContact C-N 3.28Å; E150-R275 WeakPolarHBondContact O-CD 3.28Å; E150-R275 WeakPolarHBondContact O-CG 3.23Å; E150-R275 PolarHBondContact O-NE 3.01Å
151A81.3Confident84.1Confident1 Ų147.9 Ų47.91%0.00828%0.275CS..G310 helixtrans-75.9-14.9174.900000113.3L143 N148 L149 L278 A323 C324L143-A151 HydrophobicContact CD2-CB 3.66Å; N148-A151 PolarHBondContact O-N 3.23Å; L149-A151 PolarHBondContact O-N 3.22Å; L149-A151 VanDerWaalsContact O-N 3.16Å; A151-L278 HydrophobicContact CB-CD2 4.34Å; A151-A323 WeakPolarHBondContact O-CA 3.43Å; A151-C324 PolarHBondContact O-N 2.92Å
152I87Confident84.3Confident11 Ų1146 Ų466%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-94112.7172.8-54.3178.3000108.1A139 V140 L143 L149 E150 I326 L347A139-I152 HydrophobicContact CB-CD1 3.92Å; A139-I152 HydrophobicContact CB-CG2 4.41Å; V140-I152 HydrophobicContact CG2-CD1 4.26Å; L143-I152 HydrophobicContact CD1-CD1 3.71Å; L143-I152 HydrophobicContact CD1-CG1 4.07Å; L143-I152 HydrophobicContact CD2-CD1 4.5Å; L143-I152 HydrophobicContact CD2-CG1 4.03Å; L143-I152 HydrophobicContact CG-CD1 4.15Å; L143-I152 HydrophobicContact CG-CG1 4.23Å; L149-I152 HydrophobicContact CD2-CD1 4.42Å; L149-I152 PolarHBondContact O-N 2.89Å; E150-I152 VanDerWaalsContact C-N 3.28Å; I152-I326 HydrophobicContact CG2-CD1 3.89Å; I152-I326 HydrophobicContact CG2-CG1 4.25Å; I152-L347 HydrophobicContact CD1-CD1 4.37Å; I152-L347 HydrophobicContact CD1-CD2 3.89Å; I152-L347 HydrophobicContact CG2-CD1 4Å
153H88.3Confident84.6Confident32 Ų3245.3 Ų45.315%0.14827%0.272CS..EExtended strand (participates in β ladder)trans-93.3137.2174.6-169.441.3000110.4I155 F171 L172 R275 C324 T325 I326H153-I155 VanDerWaalsContact CD2-CG1 3.46Å; H153-I155 WeakPolarHBondContact CD2-CG1 3.27Å; H153-I155 VanDerWaalsContact NE2-CG1 3.31Å; H153-I155 WeakPolarHBondContact NE2-CG1 3.38Å; H153-F171 HydrophobicContact CB-CD2 4.15Å; H153-F171 HydrophobicContact CB-CE2 3.76Å; H153-F171 AromaticContact CD2-CE2 3.94Å; H153-F171 AromaticContact CG-CE2 3.82Å; H153-L172 PolarHBondContact CD2-O 3.44Å; H153-R275 PolarHBondContact ND1-NH1 2.93Å; H153-C324 PolarHBondContact N-O 3.07Å; H153-T325 HydrophobicContact CB-CG2 4.05Å; H153-T325 CarbonylContact O-C 3.53Å; H153-T325 VanDerWaalsContact O-CA 3.25Å; H153-T325 WeakPolarHBondContact O-CA 3.41Å; H153-T325 WeakPolarHBondContact O-CG2 3.34Å; H153-I326 PolarHBondContact O-N 3.08Å
154I91.9Very high85.1Confident29 Ų2949.5 Ų49.515%0.14929%0.294CS..EExtended strand (participates in β ladder)trans-113.6125173.4-55.6175.3000107.8I326 L328 E340 L343 L347I154-I326 WeakPolarHBondContact CA-O 3.36Å; I154-L328 HydrophobicContact CG2-CD1 3.49Å; I154-L328 VanDerWaalsContact CG2-CD1 3.49Å; I154-L328 HydrophobicContact CG2-CG 3.92Å; I154-E340 HydrophobicContact CD1-CG 4.46Å; I154-E340 HydrophobicContact CG2-CB 4.47Å; I154-E340 HydrophobicContact CG2-CG 4.07Å; I154-L343 HydrophobicContact CD1-CD2 4.09Å; I154-L343 HydrophobicContact CD1-CG 4.38Å; I154-L343 HydrophobicContact CG1-CD2 4.49Å; I154-L347 HydrophobicContact CD1-CD1 4.1Å
155I91.2Very high86Confident8 Ų841.7 Ų41.74%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-115.6128.5174.8-62.1-177000108.9H153 K157 L172 T325 I326 L328H153-I155 VanDerWaalsContact CD2-CG1 3.46Å; H153-I155 WeakPolarHBondContact CD2-CG1 3.27Å; H153-I155 VanDerWaalsContact NE2-CG1 3.31Å; H153-I155 WeakPolarHBondContact NE2-CG1 3.38Å; I155-K157 HydrophobicContact CG2-CD 4.27Å; I155-K157 HydrophobicContact CG2-CG 3.92Å; I155-L172 HydrophobicContact CD1-CB 3.41Å; I155-L172 VanDerWaalsContact CD1-CB 3.41Å; I155-L172 WeakPolarHBondContact CD1-O 3.4Å; I155-T325 HydrophobicContact CB-CG2 4.44Å; I155-T325 HydrophobicContact CD1-CG2 3.84Å; I155-T325 HydrophobicContact CG1-CG2 3.79Å; I155-I326 PolarHBondContact N-O 2.79Å; I155-L328 PolarHBondContact O-N 3.03Å
156K92.9Very high87Confident62 Ų6243.7 Ų43.727%0.2725%0.254SS..EExtended strand (participates in β ladder)trans-95.8122.6172.5-64.7178.7-68.2-165.20109.8L328 L336 D337 E340K156-L328 HydrophobicContact CG-CD1 4.42Å; K156-L336 HydrophobicContact CB-CB 4.28Å; K156-L336 HydrophobicContact CB-CD1 4.27Å; K156-L336 HydrophobicContact CD-CB 4.06Å; K156-L336 HydrophobicContact CG-CB 4.23Å; K156-D337 IonicContact NZ-OD1 2.98Å; K156-D337 PolarHBondContact NZ-OD1 2.88Å; K156-E340 HydrophobicContact CD-CB 4.05Å; K156-E340 VanDerWaalsContact CD-OE2 3.23Å; K156-E340 WeakPolarHBondContact CD-OE2 3.45Å; K156-E340 WeakPolarHBondContact CE-OE2 3.36Å; K156-E340 HydrophobicContact CG-CB 4.39Å; K156-E340 IonicContact NZ-OE2 3.88Å; K156-E340 PolarHBondContact NZ-OE2 3.01Å
157K92.9Very high88.1Confident4 Ų441.8 Ų41.82%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-127124.2172.8-68.4-59.2-173.4-176.90111.4I155 D174 I307 D310 L312 L328 R329I155-K157 HydrophobicContact CG2-CD 4.27Å; I155-K157 HydrophobicContact CG2-CG 3.92Å; K157-D174 IonicContact NZ-OD1 3.93Å; K157-D174 PolarHBondContact NZ-OD1 3.47Å; K157-D174 IonicContact NZ-OD2 3.59Å; K157-D174 PolarHBondContact NZ-OD2 2.9Å; K157-I307 HydrophobicContact CB-CG2 4.29Å; K157-I307 HydrophobicContact CG-CG2 4.16Å; K157-D310 HydrophobicContact CD-CB 4.12Å; K157-D310 VanDerWaalsContact CD-OD2 3.28Å; K157-D310 WeakPolarHBondContact CD-OD2 3.33Å; K157-D310 WeakPolarHBondContact CE-OD2 3.21Å; K157-D310 IonicContact NZ-OD2 3.75Å; K157-D310 PolarHBondContact NZ-OD2 2.89Å; K157-L312 VanDerWaalsContact CE-CD2 3.48Å; K157-L328 PolarHBondContact N-O 2.91Å; K157-R329 PolarHBondContact O-NH1 3.32Å
158L92.7Very high88.9Confident98 Ų9842.4 Ų42.451%0.51324%0.239SC..EExtended strand (participates in β ladder)trans-63.2145.5177.9-71.1165.9000111.7R329 Q333 L336L158-R329 PolarHBondContact O-NH1 3.41Å; L158-R329 PolarHBondContact O-NH2 2.85Å; L158-Q333 HydrophobicContact CD2-CB 4.29Å; L158-L336 HydrophobicContact CD2-CD1 3.76Å; L158-L336 HydrophobicContact CG-CD1 4.14Å
159G90.4Very high89.2Confident30 Ų3046.7 Ų46.731%0.30926%0.257SS..BIsolated β-bridgetrans97.7164.7-178.600000113.4R329 G330G159-R329 VanDerWaalsContact O-CZ 3.25Å; G159-R329 PolarHBondContact O-NE 3.12Å; G159-R329 PolarHBondContact O-NH2 3.48Å; G159-G330 PolarHBondContact N-O 3.41Å; G159-G330 PolarHBondContact O-N 3.47Å
160G87.8Confident89.3Confident42 Ų4244.2 Ų44.243%0.43324%0.244SC..SBendtrans72.5-171.6-172.700000113.2D164G160-D164 WeakPolarHBondContact CA-OD2 3.31Å
161S90Very high89.7Confident56 Ų5638.6 Ų38.639%0.39222%0.218SC..  trans-100.4161172-176.20000110.8A163 D164 R329S161-A163 PolarHBondContact O-N 2.9Å; S161-D164 PolarHBondContact N-OD2 2.94Å; S161-D164 WeakPolarHBondContact O-CB 3.43Å; S161-D164 PolarHBondContact O-N 2.6Å; S161-R329 WeakPolarHBondContact O-CB 3.39Å
162L90.2Very high90.2Very high22 Ų2238.6 Ų38.612%0.11522%0.218CC..G310 helixtrans-55.4-31169.6-79.3171.4000112.3L125 F132 D164 S165 R329 I335 A339L125-L162 HydrophobicContact CD2-CD1 4.17Å; L125-L162 HydrophobicContact CD2-CD2 4.16Å; F132-L162 HydrophobicContact CE2-CB 4.22Å; F132-L162 HydrophobicContact CZ-CB 4.31Å; F132-L162 HydrophobicContact CZ-CD2 4.17Å; F132-L162 WeakPolarHBondContact CZ-O 3.12Å; L162-D164 PolarHBondContact O-N 3.44Å; L162-S165 VanDerWaalsContact O-CB 3.23Å; L162-S165 WeakPolarHBondContact O-CB 3.42Å; L162-S165 PolarHBondContact O-N 3.26Å; L162-S165 PolarHBondContact O-OG 2.71Å; L162-R329 VanDerWaalsContact CA-O 3.29Å; L162-R329 WeakPolarHBondContact CA-O 3.28Å; L162-R329 WeakPolarHBondContact CD2-O 3.35Å; L162-I335 HydrophobicContact CD1-CG2 3.68Å; L162-I335 HydrophobicContact CD2-CG2 3.91Å; L162-I335 HydrophobicContact CG-CG2 3.87Å; L162-A339 HydrophobicContact CD2-CB 3.83Å
163A90.8Very high90.3Very high43 Ų4338.3 Ų38.336%0.35522%0.217SC..G310 helixtrans-64.6-23.4175.800000113.8H131 S161 S165H131-A163 PolarHBondContact NE2-O 3.22Å; S161-A163 PolarHBondContact O-N 2.9Å; A163-S165 PolarHBondContact O-N 2.77Å
164D91.9Very high90.3Very high90 Ų9040.6 Ų40.648%0.48123%0.23SC..G310 helixtrans-80.8-0.6177.8-55.6-36.2000112.2G160 S161 L162 Y166 R329G160-D164 WeakPolarHBondContact CA-OD2 3.31Å; S161-D164 PolarHBondContact N-OD2 2.94Å; S161-D164 WeakPolarHBondContact O-CB 3.43Å; S161-D164 PolarHBondContact O-N 2.6Å; L162-D164 PolarHBondContact O-N 3.44Å; D164-Y166 WeakPolarHBondContact O-CD1 3.48Å; D164-R329 HydrophobicContact CB-CB 4.03Å; D164-R329 HydrophobicContact CB-CG 4.13Å
165S93.2Very high90.1Very high1 Ų143 Ų431%0.00724%0.239CC..  trans-67.8144174.4-530000110.1H131 L162 A163 V327 R329H131-S165 PolarHBondContact CE1-O 3.27Å; H131-S165 PolarHBondContact NE2-O 3.31Å; L162-S165 VanDerWaalsContact O-CB 3.23Å; L162-S165 WeakPolarHBondContact O-CB 3.42Å; L162-S165 PolarHBondContact O-N 3.26Å; L162-S165 PolarHBondContact O-OG 2.71Å; A163-S165 PolarHBondContact O-N 2.77Å; S165-V327 CarbonylContact C-O 3.47Å; S165-V327 WeakPolarHBondContact CA-O 3.34Å; S165-V327 WeakPolarHBondContact CB-O 3.33Å; S165-R329 PolarHBondContact OG-N 3.45Å
166Y93.6Very high89.8Confident88 Ų8849.8 Ų49.835%0.34527%0.268SS..EExtended strand (participates in β ladder)trans-150.8163.6-178.265.8-87.4000112.2D164 D168 I307 V327D164-Y166 WeakPolarHBondContact O-CD1 3.48Å; Y166-D168 HydrophobicContact CD2-CB 4.41Å; Y166-D168 HydrophobicContact CE2-CB 3.98Å; Y166-I307 VanDerWaalsContact OH-CD1 3.24Å; Y166-I307 WeakPolarHBondContact OH-CD1 3.23Å; Y166-V327 HydrophobicContact CD1-CB 4.33Å; Y166-V327 HydrophobicContact CE1-CB 4.02Å; Y166-V327 HydrophobicContact CE1-CG1 4.16Å; Y166-V327 HydrophobicContact CE1-CG2 4.37Å; Y166-V327 HydrophobicContact CE2-CG2 4.25Å; Y166-V327 PolarHBondContact N-O 2.85Å; Y166-V327 VanDerWaalsContact N-O 3.07Å; Y166-V327 PolarHBondContact O-N 3.06Å
167L92.7Very high89.6Confident21 Ų2147.8 Ų47.811%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-97.1114.6175.9177.968.7000108.6L135 E138 A139 R142 C324 I326L135-L167 HydrophobicContact CD2-CB 3.55Å; E138-L167 HydrophobicContact CB-CD2 3.61Å; A139-L167 HydrophobicContact CB-CD1 3.93Å; A139-L167 HydrophobicContact CB-CD2 4.36Å; R142-L167 VanDerWaalsContact NH1-CD2 3.31Å; L167-C324 HydrophobicContact CD1-CB 3.8Å; L167-I326 HydrophobicContact CD1-CD1 4.43Å; L167-I326 HydrophobicContact CD1-CG1 3.58Å
168D90.1Very high89.1Confident26 Ų2648.4 Ų48.414%0.13927%0.268CS..EExtended strand (participates in β ladder)trans-89136.4172.8-164.2-71.5000110Y166 G170 L172 H314 C324 T325Y166-D168 HydrophobicContact CD2-CB 4.41Å; Y166-D168 HydrophobicContact CE2-CB 3.98Å; D168-G170 PolarHBondContact O-N 3.37Å; D168-G170 WeakPolarHBondContact OD1-CA 3.45Å; D168-G170 PolarHBondContact OD1-N 3.23Å; D168-L172 HydrophobicContact CB-CD1 4.04Å; D168-H314 VanDerWaalsContact CG-NE2 3.34Å; D168-H314 IonicContact OD1-CD2 2.62Å; D168-H314 IonicContact OD1-CE1 3.55Å; D168-H314 IonicContact OD1-NE2 3.3Å; D168-H314 PolarHBondContact OD1-NE2 2.92Å; D168-H314 IonicContact OD2-CE1 2.74Å; D168-H314 IonicContact OD2-NE2 2.71Å; D168-H314 PolarHBondContact OD2-NE2 2.99Å; D168-C324 WeakPolarHBondContact O-CA 3.3Å; D168-C324 WeakPolarHBondContact O-CB 3.23Å; D168-T325 WeakPolarHBondContact CB-O 3.42Å; D168-T325 PolarHBondContact N-O 3.48Å; D168-T325 PolarHBondContact O-N 2.67Å
169E83.7Confident88.7Confident145 Ų14548.6 Ų48.668%0.67827%0.273SS*.SBendtrans-76.5-5.2-179.2-42-157.5130.600113.6R142R142-E169 IonicContact CZ-OE1 3.44Å; R142-E169 VanDerWaalsContact NH2-CG 3.31Å; R142-E169 IonicContact NH2-OE1 3.14Å; R142-E169 PolarHBondContact NH2-OE1 2.8Å
170G84Confident88.5Confident1 Ų154.3 Ų54.31%0.0130%0.297CS..SBendtrans-110-173.8178.600000113.5D168 F315 C324 T325D168-G170 PolarHBondContact O-N 3.37Å; D168-G170 WeakPolarHBondContact OD1-CA 3.45Å; D168-G170 PolarHBondContact OD1-N 3.23Å; G170-F315 WeakPolarHBondContact CA-O 3.38Å; G170-C324 CarbonylContact O-C 3.54Å; G170-T325 PolarHBondContact O-N 2.81Å; G170-T325 VanDerWaalsContact O-N 3.09Å; G170-T325 PolarHBondContact O-OG1 3.19Å
171F87.9Confident88.5Confident1 Ų153 Ų530%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-99.5118.9170.2-173.2-94.7000109H153 L173 R275 L276 V279 F315 T325H153-F171 HydrophobicContact CB-CD2 4.15Å; H153-F171 HydrophobicContact CB-CE2 3.76Å; H153-F171 AromaticContact CD2-CE2 3.94Å; H153-F171 AromaticContact CG-CE2 3.82Å; F171-L173 HydrophobicContact CE1-CB 4.15Å; F171-L173 HydrophobicContact CE1-CD1 4.19Å; F171-R275 VanDerWaalsContact CE2-CD 3.47Å; F171-R275 HydrophobicContact CE2-CG 3.81Å; F171-R275 HydrophobicContact CZ-CG 4.35Å; F171-L276 HydrophobicContact CD1-CD2 3.37Å; F171-L276 HydrophobicContact CD1-CG 4.24Å; F171-L276 HydrophobicContact CE1-CD1 4.39Å; F171-L276 HydrophobicContact CE1-CD2 3.27Å; F171-L276 HydrophobicContact CE1-CG 3.64Å; F171-L276 HydrophobicContact CG-CD2 4.35Å; F171-L276 HydrophobicContact CZ-CD2 4.19Å; F171-L276 HydrophobicContact CZ-CG 4.17Å; F171-V279 HydrophobicContact CB-CG1 4.08Å; F171-V279 HydrophobicContact CD2-CG2 4.28Å; F171-F315 HydrophobicContact CB-CB 4.15Å; F171-F315 HydrophobicContact CD1-CD2 4.08Å; F171-F315 PolarHBondContact N-O 2.86Å; F171-F315 WeakPolarHBondContact O-CB 3.44Å; F171-F315 WeakPolarHBondContact O-CD2 3.33Å; F171-F315 PolarHBondContact O-N 2.9Å; F171-T325 WeakPolarHBondContact CA-OG1 3.37Å
172L90.2Very high88.5Confident1 Ų152.4 Ų52.41%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-95.2141.8171.6-68.4161.5000109.1H153 I155 D168 V305 I307 I313 H314 T325 V327H153-L172 PolarHBondContact CD2-O 3.44Å; I155-L172 HydrophobicContact CD1-CB 3.41Å; I155-L172 VanDerWaalsContact CD1-CB 3.41Å; I155-L172 WeakPolarHBondContact CD1-O 3.4Å; D168-L172 HydrophobicContact CB-CD1 4.04Å; L172-V305 HydrophobicContact CD2-CG2 3.7Å; L172-I307 HydrophobicContact CD1-CD1 3.93Å; L172-I313 CarbonylContact C-O 3.51Å; L172-I313 WeakPolarHBondContact CA-O 3.19Å; L172-H314 HydrophobicContact CD2-CB 3.72Å; L172-H314 VanDerWaalsContact CD2-CD2 3.46Å; L172-H314 WeakPolarHBondContact CD2-CD2 3.33Å; L172-T325 HydrophobicContact CB-CG2 3.95Å; L172-T325 HydrophobicContact CD1-CG2 4.09Å; L172-T325 HydrophobicContact CG-CG2 4.41Å; L172-T325 PolarHBondContact N-OG1 3.15Å; L172-V327 HydrophobicContact CD1-CG2 3.3Å
173L88.9Confident88.5Confident5 Ų556.8 Ų56.83%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-126126.4178.2-178.466.5000110.2F171 K175 I265 L276 L312 I313 F315F171-L173 HydrophobicContact CE1-CB 4.15Å; F171-L173 HydrophobicContact CE1-CD1 4.19Å; L173-K175 HydrophobicContact CD1-CG 4.41Å; L173-K175 HydrophobicContact CD2-CB 4.22Å; L173-K175 HydrophobicContact CD2-CG 4.23Å; L173-K175 HydrophobicContact CG-CB 4.13Å; L173-K175 HydrophobicContact CG-CG 4.02Å; L173-K175 PolarHBondContact O-N 3.37Å; L173-I265 HydrophobicContact CD2-CG2 3.74Å; L173-L276 HydrophobicContact CD1-CD1 4.4Å; L173-L276 HydrophobicContact CD2-CD1 4.11Å; L173-L312 WeakPolarHBondContact O-CA 3.44Å; L173-I313 HydrophobicContact CB-CB 4.37Å; L173-I313 PolarHBondContact N-O 3.48Å; L173-I313 PolarHBondContact O-N 3.31Å; L173-F315 HydrophobicContact CB-CE2 3.99Å; L173-F315 HydrophobicContact CD2-CE2 4.22Å
174D88.3Confident88.6Confident79 Ų7961.1 Ų61.142%0.42230%0.299SS..SBendtrans-80.265.5178.3-162.613000113.3K157 L312K157-D174 IonicContact NZ-OD1 3.93Å; K157-D174 PolarHBondContact NZ-OD1 3.47Å; K157-D174 IonicContact NZ-OD2 3.59Å; K157-D174 PolarHBondContact NZ-OD2 2.9Å; D174-L312 HydrophobicContact CB-CD2 3.63Å; D174-L312 WeakPolarHBondContact OD1-CD2 3.39Å
175K88.3Confident88.7Confident79 Ų7957.5 Ų57.534%0.34328%0.279SS..  trans-143.9166177.9-66.5-62.6167.5-169.20111.3L173 I265 E266 I313L173-K175 HydrophobicContact CD1-CG 4.41Å; L173-K175 HydrophobicContact CD2-CB 4.22Å; L173-K175 HydrophobicContact CD2-CG 4.23Å; L173-K175 HydrophobicContact CG-CB 4.13Å; L173-K175 HydrophobicContact CG-CG 4.02Å; L173-K175 PolarHBondContact O-N 3.37Å; K175-I265 HydrophobicContact CB-CG2 4.16Å; K175-E266 WeakPolarHBondContact CD-O 3.34Å; K175-I313 HydrophobicContact CB-CD1 4.38Å; K175-I313 WeakPolarHBondContact O-CG1 3.4Å
176K85.8Confident88.6Confident152 Ų15263.1 Ų63.166%0.66131%0.306SS*.  trans-107.5146.7177.2-65.2176.4-176.71750109.1
177I88.7Confident88.5Confident19 Ų1964.8 Ų64.810%0.09732%0.32CS..PPolyproline II helixtrans-75.2147.6171.2-62.3163.5000108.4Q181 M263 E304 I313I177-Q181 HydrophobicContact CG2-CB 3.83Å; I177-M263 HydrophobicContact CD1-CE 3.75Å; I177-M263 HydrophobicContact CD1-CG 4.47Å; I177-M263 HydrophobicContact CD1-SD 4.03Å; I177-M263 HydrophobicContact CG1-CE 4.42Å; I177-M263 HydrophobicContact CG1-CG 4.17Å; I177-M263 HydrophobicContact CG1-SD 4.08Å; I177-M263 HydrophobicContact CG2-CG 3.78Å; I177-E304 HydrophobicContact CD1-CB 3.99Å; I177-I313 HydrophobicContact CD1-CG1 4.37Å; I177-I313 HydrophobicContact CG1-CD1 3.63Å; I177-I313 HydrophobicContact CG1-CG1 3.91Å
178G82Confident88.5Confident17 Ų1763.9 Ų63.918%0.17532%0.316CS..PPolyproline II helixtrans-59.6164.2175.700000114.3Q181 E254 A264G178-Q181 VanDerWaalsContact CA-OE1 3.28Å; G178-Q181 VanDerWaalsContact N-OE1 3.15Å; G178-E254 VanDerWaalsContact C-OE1 3.3Å; G178-E254 WeakPolarHBondContact CA-OE1 3.41Å; G178-A264 PolarHBondContact N-O 2.92Å
179V84.1Confident88.6Confident103 Ų10368.1 Ų68.162%0.62433%0.333SS*.THydrogen-bonded Turntrans-71.5139.7-177.1-172.20000110.4Q181 E254V179-Q181 PolarHBondContact O-N 3.12Å; V179-E254 PolarHBondContact N-OE1 3.41Å
180N85.3Confident89.1Confident150 Ų15061.2 Ų61.280%0.80230%0.301SS*.THydrogen-bonded Turntrans59.726.5-179.5-62-27.7000115.4
181Q89.7Confident89.5Confident15 Ų1561.2 Ų61.27%0.0730%0.301CS..SBendtrans-104.9156.7175.9-69.3169.55.400111.3I177 G178 V179 K183 E254 A264I177-Q181 HydrophobicContact CG2-CB 3.83Å; G178-Q181 VanDerWaalsContact CA-OE1 3.28Å; G178-Q181 VanDerWaalsContact N-OE1 3.15Å; V179-Q181 PolarHBondContact O-N 3.12Å; Q181-K183 PolarHBondContact O-N 3.48Å; Q181-E254 PolarHBondContact NE2-O 2.92Å; Q181-A264 PolarHBondContact OE1-O 3.06Å
182P89.6Confident89.8Confident42 Ų4261.2 Ų61.227%0.27330%0.301SS..  trans-61.5126.8176.525.7-34.5000110.3R184 I185 M263P182-R184 VanDerWaalsContact C-N 3.29Å; P182-I185 HydrophobicContact CB-CG1 4.27Å; P182-I185 HydrophobicContact CG-CD1 4.05Å; P182-I185 HydrophobicContact CG-CG1 4.11Å; P182-M263 HydrophobicContact CG-CB 4.42Å; P182-M263 WeakPolarHBondContact O-CE 3.45Å
183K90.3Very high89.8Confident114 Ų11461.1 Ų61.150%0.49630%0.3SS..SBendtrans-80.7-11.2177.9-66.1-171.3172.8-150.50114.2Q181 E303 E304Q181-K183 PolarHBondContact O-N 3.48Å; K183-E303 VanDerWaalsContact O-CA 3.32Å; K183-E303 WeakPolarHBondContact O-CA 3.35Å; K183-E304 HydrophobicContact CB-CB 4.48Å; K183-E304 IonicContact NZ-OE2 2.89Å; K183-E304 PolarHBondContact NZ-OE2 2.86Å; K183-E304 PolarHBondContact O-N 3.38Å
184R93Very high89.9Confident134 Ų13462.6 Ų62.651%0.50631%0.308SS..EExtended strand (participates in β ladder)trans-141.2129.3-179.1178.9171165.8139.3-7109.3P182 E186 L301 I302 E303P182-R184 VanDerWaalsContact C-N 3.29Å; R184-E186 IonicContact CZ-OE1 3.07Å; R184-E186 IonicContact NE-OE1 2.81Å; R184-E186 IonicContact NH2-OE1 3.61Å; R184-E186 PolarHBondContact NH2-OE1 3.44Å; R184-L301 HydrophobicContact CG-CD1 3.74Å; R184-I302 CarbonylContact C-O 3.58Å; R184-I302 WeakPolarHBondContact CA-O 3.42Å; R184-E303 HydrophobicContact CB-CB 4.36Å; R184-E303 HydrophobicContact CG-CB 4.28Å; R184-E303 IonicContact CZ-OE2 2.73Å; R184-E303 IonicContact NH1-OE2 3.14Å; R184-E303 PolarHBondContact NH1-OE2 3.02Å
185I92.5Very high89.9Confident14 Ų1459.6 Ų59.67%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-131.6127177.2-66.7178.2000108.7P182 A188 N241 M263 L301 I302P182-I185 HydrophobicContact CB-CG1 4.27Å; P182-I185 HydrophobicContact CG-CD1 4.05Å; P182-I185 HydrophobicContact CG-CG1 4.11Å; I185-A188 HydrophobicContact CG2-CB 3.96Å; I185-N241 HydrophobicContact CD1-CB 4.34Å; I185-N241 WeakPolarHBondContact CD1-O 3.35Å; I185-N241 HydrophobicContact CG2-CB 4.19Å; I185-M263 HydrophobicContact CB-CE 4.5Å; I185-M263 HydrophobicContact CD1-CB 3.43Å; I185-M263 VanDerWaalsContact CD1-CB 3.43Å; I185-M263 HydrophobicContact CD1-CE 3.8Å; I185-M263 HydrophobicContact CD1-CG 4.47Å; I185-M263 HydrophobicContact CD1-SD 4.38Å; I185-M263 HydrophobicContact CG1-CE 3.9Å; I185-L301 CarbonylContact O-C 3.5Å; I185-L301 WeakPolarHBondContact O-CA 3.17Å; I185-I302 PolarHBondContact N-O 2.93Å; I185-I302 PolarHBondContact O-N 3.22Å
186E92.9Very high89.8Confident120 Ų12056.4 Ų56.456%0.56128%0.282SS*.EExtended strand (participates in β ladder)trans-96.1141.7171.2-66.4179.8-178.900109.9R184 K300 L301R184-E186 IonicContact CZ-OE1 3.07Å; R184-E186 IonicContact NE-OE1 2.81Å; R184-E186 IonicContact NH2-OE1 3.61Å; R184-E186 PolarHBondContact NH2-OE1 3.44Å; E186-K300 CarbonylContact C-O 3.45Å; E186-K300 WeakPolarHBondContact CA-O 3.32Å; E186-L301 HydrophobicContact CG-CD1 3.91Å
187N91Very high89.8Confident122 Ų12249.2 Ų49.265%0.65225%0.251SS*.EExtended strand (participates in β ladder)trans50.362.3-175.9-58.3-56.8000112.3K189 N241 C299 K300N187-K189 PolarHBondContact O-N 3.19Å; N187-N241 PolarHBondContact O-ND2 3.29Å; N187-C299 CarbonylContact C-O 3.56Å; N187-C299 WeakPolarHBondContact CA-O 3.26Å; N187-K300 PolarHBondContact N-O 3.05Å
188A91.6Very high89.1Confident2 Ų250.5 Ų50.52%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-66.5129.5-178.400000112.2I185 I190 N241 S298 C299 I302I185-A188 HydrophobicContact CG2-CB 3.96Å; A188-I190 HydrophobicContact CB-CD1 4.35Å; A188-I190 HydrophobicContact CB-CG1 3.94Å; A188-N241 WeakPolarHBondContact CA-ND2 3.38Å; A188-N241 WeakPolarHBondContact CA-OD1 3.39Å; A188-S298 WeakPolarHBondContact O-CA 3.19Å; A188-C299 HydrophobicContact CB-CB 4.19Å; A188-C299 PolarHBondContact N-O 2.71Å; A188-C299 PolarHBondContact O-N 3.36Å; A188-I302 HydrophobicContact CB-CD1 3.33Å; A188-I302 HydrophobicContact CB-CG1 3.75Å
189K93.3Very high88.4Confident115 Ų11550.5 Ų50.550%0.526%0.255SS..EExtended strand (participates in β ladder)trans-102.8103.5164.1-68.6-178.7179.2-177.50107.6N187 G239 N241 C242 L296N187-K189 PolarHBondContact O-N 3.19Å; K189-G239 WeakPolarHBondContact CD-O 3.38Å; K189-N241 PolarHBondContact N-ND2 3.11Å; K189-N241 PolarHBondContact N-OD1 2.89Å; K189-N241 PolarHBondContact O-N 3.3Å; K189-N241 VanDerWaalsContact O-N 3.11Å; K189-N241 PolarHBondContact O-OD1 2.74Å; K189-N241 VanDerWaalsContact O-OD1 3.1Å; K189-C242 PolarHBondContact O-N 3.22Å; K189-L296 HydrophobicContact CB-CD1 4.33Å
190I93.1Very high87.1Confident0 Ų052.2 Ų52.20%026%0.26CS..EExtended strand (participates in β ladder)trans-99.8122.3-168.4-53.2169000108.7A188 I192 C242 I244 T280 G297 C299 I302 F315A188-I190 HydrophobicContact CB-CD1 4.35Å; A188-I190 HydrophobicContact CB-CG1 3.94Å; I190-I192 HydrophobicContact CG2-CG1 3.97Å; I190-C242 WeakPolarHBondContact CA-O 2.83Å; I190-C242 HydrophobicContact CG1-CB 4.07Å; I190-C242 HydrophobicContact CG2-CB 4.49Å; I190-I244 HydrophobicContact CG2-CD1 3.65Å; I190-I244 HydrophobicContact CG2-CG1 3.89Å; I190-T280 HydrophobicContact CD1-CG2 3.55Å; I190-G297 PolarHBondContact N-O 2.86Å; I190-G297 PolarHBondContact O-N 3.32Å; I190-C299 HydrophobicContact CD1-CB 3.8Å; I190-I302 HydrophobicContact CD1-CD1 3.97Å; I190-I302 HydrophobicContact CG1-CD1 4.08Å; I190-F315 HydrophobicContact CD1-CD1 4.08Å; I190-F315 HydrophobicContact CD1-CE1 4.04Å
191L93.5Very high85.7Confident1 Ų151.9 Ų51.91%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-99.4122.9166.4-178.972.7000109I235 I240 C242 F243 I244 A285 F288 V294 L296L191-I235 HydrophobicContact CD2-CG1 4.46Å; L191-I235 HydrophobicContact CD2-CG2 3.76Å; L191-I240 HydrophobicContact CB-CB 4.39Å; L191-I240 HydrophobicContact CB-CD1 3.87Å; L191-I240 HydrophobicContact CB-CG2 3.66Å; L191-I240 HydrophobicContact CD2-CD1 4.14Å; L191-C242 PolarHBondContact N-O 3.16Å; L191-F243 HydrophobicContact CB-CD2 4.3Å; L191-F243 HydrophobicContact CD2-CD2 3.95Å; L191-F243 HydrophobicContact CD2-CE2 4.01Å; L191-F243 HydrophobicContact CG-CD2 4.32Å; L191-I244 PolarHBondContact O-N 3.42Å; L191-A285 HydrophobicContact CD1-CB 4.23Å; L191-F288 HydrophobicContact CD2-CD1 3.99Å; L191-F288 HydrophobicContact CD2-CE1 3.94Å; L191-V294 HydrophobicContact CD1-CG1 3.55Å; L191-L296 HydrophobicContact CB-CD2 4.01Å; L191-L296 HydrophobicContact CD1-CD2 3.63Å; L191-L296 HydrophobicContact CG-CD2 4.43Å
192I92.9Very high84.1Confident1 Ų156.9 Ų56.91%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-103.3124.7176.9-58.6173000107.5I190 I244 V273 L276 A277 I284 A285I190-I192 HydrophobicContact CG2-CG1 3.97Å; I192-I244 CarbonylContact C-O 3.3Å; I192-I244 WeakPolarHBondContact CA-O 3.42Å; I192-I244 HydrophobicContact CG1-CB 4.48Å; I192-V273 HydrophobicContact CG2-CG1 3.37Å; I192-L276 HydrophobicContact CD1-CB 4.21Å; I192-A277 VanDerWaalsContact CD1-CA 3.4Å; I192-A277 HydrophobicContact CD1-CB 3.86Å; I192-I284 HydrophobicContact CG2-CG1 4.01Å; I192-A285 PolarHBondContact O-N 3.23Å
193A91.9Very high82.7Confident0 Ų064.4 Ų64.40%031%0.306CS..EExtended strand (participates in β ladder)trans-126.8150.2-173.700000112.7T195 F243 I244 N245 R246 A285 F288A193-T195 HydrophobicContact CB-CG2 4.48Å; A193-F243 HydrophobicContact CB-CE2 3.53Å; A193-F243 HydrophobicContact CB-CZ 3.81Å; A193-I244 PolarHBondContact N-O 3.43Å; A193-N245 CarbonylContact O-C 3.57Å; A193-N245 WeakPolarHBondContact O-CA 2.98Å; A193-N245 PolarHBondContact O-OD1 3.01Å; A193-R246 PolarHBondContact O-N 3.32Å; A193-A285 CarbonylContact C-O 3.56Å; A193-A285 WeakPolarHBondContact CA-O 3.16Å; A193-F288 HydrophobicContact CB-CE1 3.94Å; A193-F288 HydrophobicContact CB-CZ 3.83Å
194N90.7Very high81.1Confident36 Ų3664.5 Ų64.519%0.19331%0.311CS..  trans-125.881165.217820.5000108.8R246 Q247 I284 A285 S286N194-R246 HydrophobicContact CB-CB 4.16Å; N194-R246 PolarHBondContact ND2-NH1 3.33Å; N194-R246 VanDerWaalsContact ND2-NH1 3.11Å; N194-R246 VanDerWaalsContact OD1-CZ 3.24Å; N194-R246 PolarHBondContact OD1-NE 3.26Å; N194-R246 VanDerWaalsContact OD1-NE 3.11Å; N194-Q247 PolarHBondContact OD1-NE2 2.96Å; N194-I284 HydrophobicContact CB-CG2 3.83Å; N194-A285 PolarHBondContact N-O 3.38Å; N194-S286 PolarHBondContact O-OG 2.85Å
195T87.7Confident79.3Confident16 Ų1668.2 Ų68.210%0.09833%0.331CS..  trans-142.7149-179.2-159.40000110.6A193 M197 K231 N245 Q247 F288A193-T195 HydrophobicContact CB-CG2 4.48Å; T195-M197 HydrophobicContact CG2-SD 3.97Å; T195-K231 WeakPolarHBondContact OG1-CE 3.43Å; T195-K231 PolarHBondContact OG1-NZ 3.49Å; T195-N245 PolarHBondContact N-OD1 3.11Å; T195-N245 PolarHBondContact O-ND2 2.97Å; T195-N245 PolarHBondContact O-OD1 3.14Å; T195-N245 VanDerWaalsContact O-OD1 3.14Å; T195-Q247 VanDerWaalsContact C-CD 3.49Å; T195-Q247 WeakPolarHBondContact O-CB 3.3Å; T195-F288 HydrophobicContact CG2-CE2 3.63Å; T195-F288 HydrophobicContact CG2-CZ 3.6Å
196G86.1Confident77.9Confident11 Ų1171 Ų7111%0.11336%0.363CS..  trans-70.3132.6167.100000109.3D198 K231G196-D198 WeakPolarHBondContact CA-OD1 3.25Å; G196-K231 WeakPolarHBondContact O-CE 3.18Å; G196-K231 PolarHBondContact O-NZ 3.5Å
197M85.4Confident76.9Confident2 Ų268.6 Ų68.61%0.0136%0.36CS..SBendtrans-85.91.5173.1-66.5-59.5-65.300112.2T195 M228 V232 I235 F243 I249 Y250 P253 F257T195-M197 HydrophobicContact CG2-SD 3.97Å; M197-M228 WeakPolarHBondContact O-CE 3.49Å; M197-V232 HydrophobicContact CE-CG2 3.74Å; M197-I235 HydrophobicContact CE-CD1 4.09Å; M197-I235 HydrophobicContact SD-CD1 4.15Å; M197-F243 HydrophobicContact CE-CE1 4.39Å; M197-F243 HydrophobicContact SD-CE1 3.99Å; M197-F243 HydrophobicContact SD-CZ 3.98Å; M197-I249 HydrophobicContact CG-CG1 4.3Å; M197-Y250 HydrophobicContact CB-CD2 4.28Å; M197-P253 HydrophobicContact CB-CG 4.23Å; M197-P253 HydrophobicContact CE-CB 3.72Å; M197-P253 HydrophobicContact CE-CG 4.23Å; M197-F257 HydrophobicContact CE-CE2 3.8Å; M197-F257 HydrophobicContact CE-CZ 3.94Å
198D75.4Confident76.1Confident45 Ų4573.1 Ų73.124%0.24137%0.368CS..SBendtrans-72.6169.8167.952.3-13.4000111.7G196 Y250G196-D198 WeakPolarHBondContact CA-OD1 3.25Å; D198-Y250 HydrophobicContact CB-CD2 4.32Å; D198-Y250 HydrophobicContact CB-CE2 3.56Å
199T65.5Low75.3Confident18 Ų1878.7 Ų78.711%0.1140%0.401CS..  trans-59.5141.8161.2530000108.5K201 E224 K227 M228T199-K201 PolarHBondContact O-N 3.25Å; T199-E224 HydrophobicContact CG2-CB 3.6Å; T199-E224 HydrophobicContact CG2-CG 3.85Å; T199-E224 WeakPolarHBondContact CG2-O 3.05Å; T199-K227 HydrophobicContact CG2-CB 4.35Å; T199-M228 HydrophobicContact CG2-CG 3.97Å
200D57.5Low74.8Confident139 Ų13983.9 Ų83.974%0.74342%0.417SS*.  trans-60.986.2171.4-69.8-43.1000108.2I202D200-I202 PolarHBondContact O-N 3Å; D200-I202 VanDerWaalsContact O-N 3.12Å
201K56.8Low74.3Confident142 Ų14286.3 Ų86.362%0.61743%0.432SS*.  trans-59.2123.5173.6-76.3-178.5-178.7170.80105.2T199 K203T199-K201 PolarHBondContact O-N 3.25Å; K201-K203 WeakPolarHBondContact O-CG 3.48Å; K201-K203 PolarHBondContact O-N 2.86Å
202I56.4Low74.1Confident120 Ų12092.9 Ų92.962%0.61547%0.467SS*.  trans-53.8106.9168.7-62.7171.5000105.7D200 I204D200-I202 PolarHBondContact O-N 3Å; D200-I202 VanDerWaalsContact O-N 3.12Å; I202-I204 HydrophobicContact CG2-CB 3.85Å; I202-I204 HydrophobicContact CG2-CD1 3.41Å; I202-I204 VanDerWaalsContact CG2-CD1 3.41Å; I202-I204 HydrophobicContact CG2-CG1 3.42Å; I202-I204 VanDerWaalsContact CG2-CG1 3.42Å; I202-I204 PolarHBondContact O-N 3.2Å
203K58.4Low73.9Confident201 Ų20195.3 Ų95.387%0.87448%0.484SS*.  trans-73.931.3-178.1-64.8-173.8-179176.40111.9K201 F205K201-K203 WeakPolarHBondContact O-CG 3.48Å; K201-K203 PolarHBondContact O-N 2.86Å; K203-F205 PolarHBondContact O-N 3.28Å
204I58Low73.8Confident115 Ų115101.3 Ų101.359%0.5952%0.521SS*.  trans-81.4102.6169.6-60.8173.7000105.6I202 G206 S207I202-I204 HydrophobicContact CG2-CB 3.85Å; I202-I204 HydrophobicContact CG2-CD1 3.41Å; I202-I204 VanDerWaalsContact CG2-CD1 3.41Å; I202-I204 HydrophobicContact CG2-CG1 3.42Å; I202-I204 VanDerWaalsContact CG2-CG1 3.42Å; I202-I204 PolarHBondContact O-N 3.2Å; I204-G206 PolarHBondContact O-N 2.8Å; I204-S207 PolarHBondContact O-N 3.42Å; I204-S207 VanDerWaalsContact O-N 3.08Å; I204-S207 PolarHBondContact O-OG 2.99Å
205F54.6Low73.8Confident213 Ų213102.2 Ų102.293%0.93453%0.534SS*.THydrogen-bonded Turntrans-48.3119.7171-97.8-89000109.5K203K203-F205 PolarHBondContact O-N 3.28Å
206G63.7Low73.8Confident73 Ų73105.4 Ų105.475%0.75355%0.546SS*.THydrogen-bonded Turntrans97.4-1.3177.800000116.4I204 R208I204-G206 PolarHBondContact O-N 2.8Å; G206-R208 PolarHBondContact O-N 2.94Å
207S71.4Confident73.8Confident69 Ų69107.7 Ų107.748%0.48356%0.558SS.*  trans-70.5113.9170.663.60000110.3I204I204-S207 PolarHBondContact O-N 3.42Å; I204-S207 VanDerWaalsContact O-N 3.08Å; I204-S207 PolarHBondContact O-OG 2.99Å
208R73.3Confident74Confident217 Ų217110.2 Ų110.282%0.81958%0.579SS**  trans-113.3129170.6-66.7-176.9-178.7-179.51.4108.5G206 R210G206-R208 PolarHBondContact O-N 2.94Å; R208-R210 PolarHBondContact O-N 3.42Å
209V76.2Confident74.6Confident118 Ų118114.1 Ų114.172%0.71560%0.596SS**  trans-81.2118.6171-1750000107.7I220V209-I220 HydrophobicContact CG1-CD1 3.75Å
210R81.5Confident75.6Confident224 Ų224116 Ų11685%0.84561%0.605SS**  trans-101.8132171-67.2-175.6-177.81781.3108.2R208R208-R210 PolarHBondContact O-N 3.42Å
211V83.9Confident76.9Confident52 Ų52114.5 Ų114.532%0.31559%0.593SS.*  trans-126.4140.1-179-94.60000109.9S213 K216 V217 I220V211-S213 VanDerWaalsContact C-N 3.32Å; V211-K216 HydrophobicContact CB-CB 3.98Å; V211-K216 HydrophobicContact CG1-CB 3.54Å; V211-K216 HydrophobicContact CG1-CD 4.2Å; V211-V217 HydrophobicContact CB-CG2 4.4Å; V211-V217 HydrophobicContact CG2-CG2 3.45Å; V211-V217 VanDerWaalsContact CG2-CG2 3.45Å; V211-I220 HydrophobicContact CG1-CD1 3.43Å; V211-I220 VanDerWaalsContact CG1-CD1 3.43Å; V211-I220 HydrophobicContact CG2-CD1 4.49Å
212D88.7Confident78.4Confident138 Ų138113.2 Ų113.274%0.73859%0.589SS**SBendtrans-83.3-8.6-173.3-41.6-54000113.3K216D212-K216 IonicContact OD2-NZ 3.83Å; D212-K216 PolarHBondContact OD2-NZ 3.04Å
213S88.8Confident79.9Confident52 Ų52109.8 Ų109.836%0.36458%0.579SS.*SBendtrans-152.6158.1-178.668.30000112.2V211 A215 K216 V217V211-S213 VanDerWaalsContact C-N 3.32Å; S213-A215 VanDerWaalsContact C-N 3.27Å; S213-A215 PolarHBondContact O-N 3.24Å; S213-K216 PolarHBondContact O-N 3.05Å; S213-K216 PolarHBondContact OG-N 3.47Å; S213-V217 PolarHBondContact O-N 2.83Å
214T89.3Confident81.1Confident126 Ų126104.4 Ų104.477%0.77356%0.557SS**Hα-helixtrans-64.6-29.9173.350.10000112.6V217 A218T214-V217 WeakPolarHBondContact O-CB 3.49Å; T214-V217 PolarHBondContact O-N 3.1Å; T214-A218 PolarHBondContact O-N 3.03Å; T214-A218 VanDerWaalsContact O-N 3.16Å
215A91.2Very high82.5Confident55 Ų55104 Ų10446%0.45555%0.551SS.*Hα-helixtrans-62.1-44.6175.200000111.7S213 V217 A218 E219S213-A215 VanDerWaalsContact C-N 3.27Å; S213-A215 PolarHBondContact O-N 3.24Å; A215-V217 VanDerWaalsContact C-N 3.27Å; A215-V217 PolarHBondContact O-N 3.33Å; A215-A218 WeakPolarHBondContact O-CB 3.49Å; A215-A218 PolarHBondContact O-N 3.16Å; A215-A218 VanDerWaalsContact O-N 3.14Å; A215-E219 WeakPolarHBondContact O-CG 3.44Å; A215-E219 PolarHBondContact O-N 2.85Å
216K87.9Confident84.2Confident83 Ų8396.8 Ų96.836%0.36152%0.52SS..Hα-helixtrans-63.7-31.6175.5-70.1-176.2-179.5-177.60112.6V211 D212 S213 E219 I220V211-K216 HydrophobicContact CB-CB 3.98Å; V211-K216 HydrophobicContact CG1-CB 3.54Å; V211-K216 HydrophobicContact CG1-CD 4.2Å; D212-K216 IonicContact OD2-NZ 3.83Å; D212-K216 PolarHBondContact OD2-NZ 3.04Å; S213-K216 PolarHBondContact O-N 3.05Å; S213-K216 PolarHBondContact OG-N 3.47Å; K216-E219 PolarHBondContact O-N 3.19Å; K216-I220 WeakPolarHBondContact O-CD1 3.18Å; K216-I220 VanDerWaalsContact O-CG1 3.26Å; K216-I220 WeakPolarHBondContact O-CG1 3.4Å; K216-I220 PolarHBondContact O-N 3.13Å
217V86.7Confident85.3Confident59 Ų5999.5 Ų99.536%0.35851%0.511SS..Hα-helixtrans-62.4-48173-179.90000110V211 S213 T214 A215 E219 I220 E221V211-V217 HydrophobicContact CB-CG2 4.4Å; V211-V217 HydrophobicContact CG2-CG2 3.45Å; V211-V217 VanDerWaalsContact CG2-CG2 3.45Å; S213-V217 PolarHBondContact O-N 2.83Å; T214-V217 WeakPolarHBondContact O-CB 3.49Å; T214-V217 PolarHBondContact O-N 3.1Å; A215-V217 VanDerWaalsContact C-N 3.27Å; A215-V217 PolarHBondContact O-N 3.33Å; V217-E219 VanDerWaalsContact C-N 3.32Å; V217-E219 PolarHBondContact O-N 3.36Å; V217-I220 PolarHBondContact O-N 3.47Å; V217-I220 VanDerWaalsContact O-N 3.17Å; V217-E221 PolarHBondContact O-N 3.47Å
218A88.6Confident86.2Confident55 Ų5597.5 Ų97.546%0.45549%0.494SS..Hα-helixtrans-62.8-37.6178.400000112.4T214 A215 E221 H222T214-A218 PolarHBondContact O-N 3.03Å; T214-A218 VanDerWaalsContact O-N 3.16Å; A215-A218 WeakPolarHBondContact O-CB 3.49Å; A215-A218 PolarHBondContact O-N 3.16Å; A215-A218 VanDerWaalsContact O-N 3.14Å; A218-E221 PolarHBondContact O-N 3.19Å; A218-H222 WeakPolarHBondContact O-CB 3.47Å; A218-H222 PolarHBondContact O-N 3.41Å
219E89Confident87Confident127 Ų12790.1 Ų90.159%0.59347%0.468SS*.Hα-helixtrans-62.4-42.2173.3-71.5171-168.300112.1A215 K216 V217 H222 A223A215-E219 WeakPolarHBondContact O-CG 3.44Å; A215-E219 PolarHBondContact O-N 2.85Å; K216-E219 PolarHBondContact O-N 3.19Å; V217-E219 VanDerWaalsContact C-N 3.32Å; V217-E219 PolarHBondContact O-N 3.36Å; E219-H222 PolarHBondContact O-N 3.3Å; E219-A223 WeakPolarHBondContact O-CB 3.39Å; E219-A223 PolarHBondContact O-N 3.48Å
220I85.6Confident87.7Confident59 Ų5989 Ų8930%0.30346%0.455SS..Hα-helixtrans-64.3-48.3175.9-68163.5000110.3V209 V211 K216 V217 H222 A223 E224V209-I220 HydrophobicContact CG1-CD1 3.75Å; V211-I220 HydrophobicContact CG1-CD1 3.43Å; V211-I220 VanDerWaalsContact CG1-CD1 3.43Å; V211-I220 HydrophobicContact CG2-CD1 4.49Å; K216-I220 WeakPolarHBondContact O-CD1 3.18Å; K216-I220 VanDerWaalsContact O-CG1 3.26Å; K216-I220 WeakPolarHBondContact O-CG1 3.4Å; K216-I220 PolarHBondContact O-N 3.13Å; V217-I220 PolarHBondContact O-N 3.47Å; V217-I220 VanDerWaalsContact O-N 3.17Å; I220-H222 VanDerWaalsContact C-N 3.27Å; I220-H222 PolarHBondContact O-N 3Å; I220-A223 PolarHBondContact O-N 2.99Å; I220-A223 VanDerWaalsContact O-N 3.14Å; I220-E224 HydrophobicContact CG2-CG 4.38Å; I220-E224 WeakPolarHBondContact O-CG 3.44Å; I220-E224 PolarHBondContact O-N 3.33Å
221E85.4Confident88.2Confident106 Ų10679.4 Ų79.450%0.49542%0.42SS..Hα-helixtrans-59.2-39.5177.5-72.6-176.3178.500112V217 A218 E224 K225V217-E221 PolarHBondContact O-N 3.47Å; A218-E221 PolarHBondContact O-N 3.19Å; E221-E224 PolarHBondContact O-N 2.97Å; E221-K225 WeakPolarHBondContact O-CG 3.48Å; E221-K225 PolarHBondContact O-N 3.06Å
222H88.8Confident88.5Confident115 Ų11577 Ų7753%0.53241%0.405SS..Hα-helixtrans-65.3-44.6175.1-172-68.2000111.4A218 E219 I220 E224 K225 E226A218-H222 WeakPolarHBondContact O-CB 3.47Å; A218-H222 PolarHBondContact O-N 3.41Å; E219-H222 PolarHBondContact O-N 3.3Å; I220-H222 VanDerWaalsContact C-N 3.27Å; I220-H222 PolarHBondContact O-N 3Å; H222-E224 VanDerWaalsContact C-N 3.29Å; H222-E224 PolarHBondContact O-N 3.34Å; H222-K225 PolarHBondContact O-N 3.41Å; H222-E226 VanDerWaalsContact CE1-CG 3.48Å; H222-E226 WeakPolarHBondContact CE1-CG 3.49Å; H222-E226 IonicContact CE1-OE1 3.88Å; H222-E226 PolarHBondContact O-N 3.12Å
223A86.9Confident88.7Confident49 Ų4974.5 Ų74.541%0.40539%0.389SS..Hα-helixtrans-63.1-35.8176.500000112.1E219 I220 K227E219-A223 WeakPolarHBondContact O-CB 3.39Å; E219-A223 PolarHBondContact O-N 3.48Å; I220-A223 PolarHBondContact O-N 2.99Å; I220-A223 VanDerWaalsContact O-N 3.14Å; A223-K227 WeakPolarHBondContact O-CG 3.48Å; A223-K227 PolarHBondContact O-N 3.44Å; A223-K227 VanDerWaalsContact O-N 3.09Å
224E84.2Confident88.8Confident88 Ų8876.2 Ų76.241%0.41139%0.388SS..Hα-helixtrans-65.7-45174.1-72.7-168.916400111.9T199 I220 E221 H222 K227 M228T199-E224 HydrophobicContact CG2-CB 3.6Å; T199-E224 HydrophobicContact CG2-CG 3.85Å; T199-E224 WeakPolarHBondContact CG2-O 3.05Å; I220-E224 HydrophobicContact CG2-CG 4.38Å; I220-E224 WeakPolarHBondContact O-CG 3.44Å; I220-E224 PolarHBondContact O-N 3.33Å; E221-E224 PolarHBondContact O-N 2.97Å; H222-E224 VanDerWaalsContact C-N 3.29Å; H222-E224 PolarHBondContact O-N 3.34Å; E224-K227 PolarHBondContact O-N 3.02Å; E224-M228 WeakPolarHBondContact O-CG 3.34Å; E224-M228 PolarHBondContact O-N 3.5Å
225K87.5Confident89Confident106 Ų10670.2 Ų70.246%0.46135%0.351SS..Hα-helixtrans-61.7-45.5175.3-75.5175.9-178.4171.30112.2E221 H222 K227 M228 K229 Y252E221-K225 WeakPolarHBondContact O-CG 3.48Å; E221-K225 PolarHBondContact O-N 3.06Å; H222-K225 PolarHBondContact O-N 3.41Å; K225-K227 VanDerWaalsContact C-N 3.32Å; K225-K227 PolarHBondContact O-N 3.32Å; K225-M228 PolarHBondContact O-N 3.12Å; K225-K229 WeakPolarHBondContact O-CB 3.44Å; K225-K229 PolarHBondContact O-N 3.04Å; K225-Y252 HydrophobicContact CB-CE1 3.93Å; K225-Y252 HydrophobicContact CG-CD1 4.39Å; K225-Y252 HydrophobicContact CG-CE1 4.24Å; K225-Y252 WeakPolarHBondContact O-CE1 3.43Å
226E90.3Very high89Confident62 Ų6270 Ų7029%0.2934%0.341SS..Hα-helixtrans-62.3-39177.7-72.1-58.9123.200111.6H222 M228 K229 E230H222-E226 VanDerWaalsContact CE1-CG 3.48Å; H222-E226 WeakPolarHBondContact CE1-CG 3.49Å; H222-E226 IonicContact CE1-OE1 3.88Å; H222-E226 PolarHBondContact O-N 3.12Å; E226-M228 PolarHBondContact O-N 3.37Å; E226-K229 WeakPolarHBondContact O-CB 3.37Å; E226-K229 PolarHBondContact O-N 3.17Å; E226-K229 IonicContact OE1-NZ 2.77Å; E226-K229 IonicContact OE2-NZ 3.93Å; E226-E230 WeakPolarHBondContact O-CB 3.41Å; E226-E230 WeakPolarHBondContact O-CG 3.46Å; E226-E230 PolarHBondContact O-N 2.9Å
227K87Confident89.2Confident129 Ų12973.1 Ų73.156%0.56136%0.355SS*.Hα-helixtrans-61.3-43.2172.9-76177.8179.7-178.30113.1T199 A223 E224 K225 K229 K231T199-K227 HydrophobicContact CG2-CB 4.35Å; A223-K227 WeakPolarHBondContact O-CG 3.48Å; A223-K227 PolarHBondContact O-N 3.44Å; A223-K227 VanDerWaalsContact O-N 3.09Å; E224-K227 PolarHBondContact O-N 3.02Å; K225-K227 VanDerWaalsContact C-N 3.32Å; K225-K227 PolarHBondContact O-N 3.32Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K227-K231 WeakPolarHBondContact O-CB 3.47Å; K227-K231 PolarHBondContact O-N 3.4Å; K227-K231 VanDerWaalsContact O-N 3.08Å
228M88.6Confident89.4Confident27 Ų2771.1 Ų71.113%0.13334%0.342CS..Hα-helixtrans-62.9-41.1175.7-66.7174.49200110.7M197 T199 E224 K225 E226 K231 V232 Y250 Y252 P253M197-M228 WeakPolarHBondContact O-CE 3.49Å; T199-M228 HydrophobicContact CG2-CG 3.97Å; E224-M228 WeakPolarHBondContact O-CG 3.34Å; E224-M228 PolarHBondContact O-N 3.5Å; K225-M228 PolarHBondContact O-N 3.12Å; E226-M228 PolarHBondContact O-N 3.37Å; M228-K231 PolarHBondContact O-N 3.42Å; M228-V232 WeakPolarHBondContact O-CG2 3.36Å; M228-V232 PolarHBondContact O-N 3Å; M228-Y250 HydrophobicContact CE-CD2 4.09Å; M228-Y250 HydrophobicContact CE-CG 4.38Å; M228-Y252 HydrophobicContact CB-CD1 4.21Å; M228-Y252 HydrophobicContact CB-CE1 4.44Å; M228-Y252 HydrophobicContact SD-CD1 4.41Å; M228-P253 HydrophobicContact CE-CG 3.58Å
229K91.3Very high89.4Confident62 Ų6270.7 Ų70.727%0.2734%0.343SS..Hα-helixtrans-64.7-47.7177.4-176.5-173.2169.6-159.80112.1K225 E226 K227 K231 V232 E233 Y252 L256K225-K229 WeakPolarHBondContact O-CB 3.44Å; K225-K229 PolarHBondContact O-N 3.04Å; E226-K229 WeakPolarHBondContact O-CB 3.37Å; E226-K229 PolarHBondContact O-N 3.17Å; E226-K229 IonicContact OE1-NZ 2.77Å; E226-K229 IonicContact OE2-NZ 3.93Å; K227-K229 VanDerWaalsContact C-N 3.3Å; K229-K231 PolarHBondContact O-N 3.01Å; K229-V232 PolarHBondContact O-N 3.33Å; K229-V232 VanDerWaalsContact O-N 3.14Å; K229-E233 VanDerWaalsContact CE-OE1 3.28Å; K229-E233 WeakPolarHBondContact CE-OE1 3.31Å; K229-E233 WeakPolarHBondContact O-CG 3.41Å; K229-E233 PolarHBondContact O-N 2.89Å; K229-Y252 HydrophobicContact CB-CE1 4.32Å; K229-L256 HydrophobicContact CB-CD1 3.94Å; K229-L256 HydrophobicContact CG-CD1 3.98Å; K229-L256 HydrophobicContact CG-CD2 4.49Å
230E91.4Very high89.6Confident94 Ų9465.3 Ų65.344%0.43932%0.318SS..Hα-helixtrans-57-37.5174.5-75.9176.9-17100112.2E226 R234E226-E230 WeakPolarHBondContact O-CB 3.41Å; E226-E230 WeakPolarHBondContact O-CG 3.46Å; E226-E230 PolarHBondContact O-N 2.9Å; E230-R234 WeakPolarHBondContact O-CB 3.41Å; E230-R234 WeakPolarHBondContact O-CG 3.08Å; E230-R234 PolarHBondContact O-N 3.47Å; E230-R234 PolarHBondContact O-NE 3.39Å; E230-R234 IonicContact OE2-NH2 3.88Å
231K90.4Very high90Very high23 Ų2364.2 Ų64.210%0.131%0.313CS..Hα-helixtrans-67.8-44176.4-172.3171.8-174.3167.40111.7T195 G196 K227 M228 K229 R234 I235T195-K231 WeakPolarHBondContact OG1-CE 3.43Å; T195-K231 PolarHBondContact OG1-NZ 3.49Å; G196-K231 WeakPolarHBondContact O-CE 3.18Å; G196-K231 PolarHBondContact O-NZ 3.5Å; K227-K231 WeakPolarHBondContact O-CB 3.47Å; K227-K231 PolarHBondContact O-N 3.4Å; K227-K231 VanDerWaalsContact O-N 3.08Å; M228-K231 PolarHBondContact O-N 3.42Å; K229-K231 PolarHBondContact O-N 3.01Å; K231-R234 WeakPolarHBondContact O-CB 3.33Å; K231-R234 PolarHBondContact O-N 3.12Å; K231-I235 WeakPolarHBondContact O-CG1 3.44Å; K231-I235 PolarHBondContact O-N 2.99Å
232V91.8Very high90.4Very high2 Ų259.2 Ų59.21%0.01229%0.289CS..Hα-helixtrans-63.1-43.3173.9172.70000110.8M197 M228 K229 R234 I235 L236 P253 L256 F257M197-V232 HydrophobicContact CE-CG2 3.74Å; M228-V232 WeakPolarHBondContact O-CG2 3.36Å; M228-V232 PolarHBondContact O-N 3Å; K229-V232 PolarHBondContact O-N 3.33Å; K229-V232 VanDerWaalsContact O-N 3.14Å; V232-R234 VanDerWaalsContact C-N 3.3Å; V232-R234 PolarHBondContact O-N 2.98Å; V232-I235 CarbonylContact O-C 3.6Å; V232-I235 WeakPolarHBondContact O-CA 3.41Å; V232-I235 WeakPolarHBondContact O-CB 3.27Å; V232-I235 PolarHBondContact O-N 2.95Å; V232-I235 VanDerWaalsContact O-N 3.08Å; V232-L236 HydrophobicContact CG1-CD1 3.92Å; V232-L236 HydrophobicContact CG1-CG 4.19Å; V232-L236 VanDerWaalsContact O-CG 3.31Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.11Å; V232-P253 HydrophobicContact CG2-CB 3.9Å; V232-L256 HydrophobicContact CB-CB 4.49Å; V232-L256 HydrophobicContact CB-CD1 4.13Å; V232-L256 HydrophobicContact CG1-CB 3.81Å; V232-L256 HydrophobicContact CG1-CD1 4.33Å; V232-L256 HydrophobicContact CG2-CD1 4.15Å; V232-F257 HydrophobicContact CG1-CD1 4.01Å; V232-F257 HydrophobicContact CG1-CE1 3.75Å; V232-F257 HydrophobicContact CG1-CZ 4.1Å; V232-F257 HydrophobicContact CG2-CE2 4.29Å; V232-F257 HydrophobicContact CG2-CZ 4.1Å
233E92.5Very high90.6Very high86 Ų8653.7 Ų53.740%0.40226%0.264SS..Hα-helixtrans-60.4-39.7175.5-74177.3-174.300111.9K229 I235 L236 K237K229-E233 VanDerWaalsContact CE-OE1 3.28Å; K229-E233 WeakPolarHBondContact CE-OE1 3.31Å; K229-E233 WeakPolarHBondContact O-CG 3.41Å; K229-E233 PolarHBondContact O-N 2.89Å; E233-I235 VanDerWaalsContact C-N 3.34Å; E233-I235 PolarHBondContact O-N 3.2Å; E233-L236 PolarHBondContact O-N 3.18Å; E233-K237 WeakPolarHBondContact O-CG 3.33Å; E233-K237 PolarHBondContact O-N 3.38Å
234R91.2Very high90.9Very high88 Ų8851.4 Ų51.433%0.33225%0.245SC..Hα-helixtrans-60.3-42172.1-81-177.4-101.9179.8-7.2112.2E230 K231 V232 K237 H238 F288 D289E230-R234 WeakPolarHBondContact O-CB 3.41Å; E230-R234 WeakPolarHBondContact O-CG 3.08Å; E230-R234 PolarHBondContact O-N 3.47Å; E230-R234 PolarHBondContact O-NE 3.39Å; E230-R234 IonicContact OE2-NH2 3.88Å; K231-R234 WeakPolarHBondContact O-CB 3.33Å; K231-R234 PolarHBondContact O-N 3.12Å; V232-R234 VanDerWaalsContact C-N 3.3Å; V232-R234 PolarHBondContact O-N 2.98Å; R234-K237 PolarHBondContact O-N 3.1Å; R234-H238 PolarHBondContact O-CD2 2.87Å; R234-F288 HydrophobicContact CB-CB 4.17Å; R234-D289 WeakPolarHBondContact CD-OD1 3.29Å; R234-D289 IonicContact CZ-OD1 2.77Å; R234-D289 IonicContact NE-OD1 2.74Å; R234-D289 IonicContact NH1-OD1 3.75Å; R234-D289 PolarHBondContact NH1-OD1 3.09Å
235I92.2Very high91.3Very high0 Ų047.2 Ų47.20%023%0.225CC..Hα-helixtrans-64.5-43.5174.9-70.5163.4000111.3L191 M197 K231 V232 E233 K237 H238 I240 F243 F257 F288L191-I235 HydrophobicContact CD2-CG1 4.46Å; L191-I235 HydrophobicContact CD2-CG2 3.76Å; M197-I235 HydrophobicContact CE-CD1 4.09Å; M197-I235 HydrophobicContact SD-CD1 4.15Å; K231-I235 WeakPolarHBondContact O-CG1 3.44Å; K231-I235 PolarHBondContact O-N 2.99Å; V232-I235 CarbonylContact O-C 3.6Å; V232-I235 WeakPolarHBondContact O-CA 3.41Å; V232-I235 WeakPolarHBondContact O-CB 3.27Å; V232-I235 PolarHBondContact O-N 2.95Å; V232-I235 VanDerWaalsContact O-N 3.08Å; E233-I235 VanDerWaalsContact C-N 3.34Å; E233-I235 PolarHBondContact O-N 3.2Å; I235-K237 VanDerWaalsContact C-N 3.29Å; I235-K237 PolarHBondContact O-N 3.17Å; I235-H238 WeakPolarHBondContact O-CB 3.32Å; I235-H238 PolarHBondContact O-CD2 3.35Å; I235-H238 VanDerWaalsContact O-CD2 3.27Å; I235-H238 PolarHBondContact O-N 2.9Å; I235-I240 HydrophobicContact CG2-CD1 3.46Å; I235-I240 VanDerWaalsContact CG2-CD1 3.46Å; I235-I240 HydrophobicContact CG2-CG1 4.46Å; I235-F243 HydrophobicContact CD1-CE2 3.89Å; I235-F243 HydrophobicContact CD1-CZ 3.81Å; I235-F243 HydrophobicContact CG1-CE2 4.39Å; I235-F243 HydrophobicContact CG2-CD2 3.81Å; I235-F243 HydrophobicContact CG2-CE2 4.02Å; I235-F243 HydrophobicContact CG2-CG 4.4Å; I235-F257 HydrophobicContact CB-CE1 4.49Å; I235-F257 HydrophobicContact CD1-CZ 4.22Å; I235-F257 HydrophobicContact CG2-CE1 3.89Å; I235-F257 HydrophobicContact CG2-CZ 4.2Å; I235-F288 HydrophobicContact CD1-CD2 4.41Å; I235-F288 HydrophobicContact CD1-CE1 4.44Å; I235-F288 HydrophobicContact CD1-CE2 4.31Å; I235-F288 HydrophobicContact CD1-CZ 4.32Å; I235-F288 HydrophobicContact CG1-CB 4.31Å; I235-F288 HydrophobicContact CG1-CD1 3.71Å; I235-F288 HydrophobicContact CG1-CD2 4.03Å; I235-F288 HydrophobicContact CG1-CE1 4.01Å; I235-F288 HydrophobicContact CG1-CE2 4.32Å; I235-F288 HydrophobicContact CG1-CG 3.72Å; I235-F288 HydrophobicContact CG1-CZ 4.31Å
236L92.1Very high91.5Very high49 Ų4945.8 Ų45.826%0.25722%0.217SC..Hα-helixtrans-65.4-30179.6-68.4173.9000112.7V232 E233 H238 G239 F257 A260 V262V232-L236 HydrophobicContact CG1-CD1 3.92Å; V232-L236 HydrophobicContact CG1-CG 4.19Å; V232-L236 VanDerWaalsContact O-CG 3.31Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.11Å; E233-L236 PolarHBondContact O-N 3.18Å; L236-H238 PolarHBondContact O-N 3.09Å; L236-H238 VanDerWaalsContact O-N 3.11Å; L236-G239 PolarHBondContact O-N 3Å; L236-F257 HydrophobicContact CD2-CD1 4.2Å; L236-F257 HydrophobicContact CD2-CE1 4.45Å; L236-A260 HydrophobicContact CD1-CB 3.71Å; L236-A260 HydrophobicContact CD2-CB 3.76Å; L236-A260 HydrophobicContact CG-CB 4.41Å; L236-V262 HydrophobicContact CD2-CB 4.29Å; L236-V262 HydrophobicContact CD2-CG2 3.5Å; L236-V262 VanDerWaalsContact CD2-CG2 3.5Å
237K92Very high91.4Very high149 Ų14946.5 Ų46.565%0.64822%0.22SC*.THydrogen-bonded Turntrans-59.8-18.6175-76.4173.2-172.9178.20113.9E233 R234 I235 G239E233-K237 WeakPolarHBondContact O-CG 3.33Å; E233-K237 PolarHBondContact O-N 3.38Å; R234-K237 PolarHBondContact O-N 3.1Å; I235-K237 VanDerWaalsContact C-N 3.29Å; I235-K237 PolarHBondContact O-N 3.17Å; K237-G239 PolarHBondContact O-N 3.48Å
238H90.1Very high91.4Very high18 Ų1844.9 Ų44.98%0.08322%0.217CC..THydrogen-bonded Turntrans-71-9.8173.5-65.6-101.4000113R234 I235 L236 I240 F288 P291R234-H238 PolarHBondContact O-CD2 2.87Å; I235-H238 WeakPolarHBondContact O-CB 3.32Å; I235-H238 PolarHBondContact O-CD2 3.35Å; I235-H238 VanDerWaalsContact O-CD2 3.27Å; I235-H238 PolarHBondContact O-N 2.9Å; L236-H238 PolarHBondContact O-N 3.09Å; L236-H238 VanDerWaalsContact O-N 3.11Å; H238-I240 HydrophobicContact CB-CG2 3.72Å; H238-F288 PolarHBondContact NE2-O 3.34Å; H238-P291 WeakPolarHBondContact CE1-CA 2.94Å; H238-P291 WeakPolarHBondContact ND1-CA 2.99Å
239G89.6Confident91.4Very high46 Ų4644.3 Ų44.347%0.47421%0.214SC..  trans70.335.9-179.900000112.9K189 L236 K237K189-G239 WeakPolarHBondContact CD-O 3.38Å; L236-G239 PolarHBondContact O-N 3Å; K237-G239 PolarHBondContact O-N 3.48Å
240I92.8Very high91.3Very high13 Ų1346.1 Ų46.17%0.06722%0.22CC..  trans-86155.9-177.363.8164.6000110.9L191 I235 H238 F243 V262 L296L191-I240 HydrophobicContact CB-CB 4.39Å; L191-I240 HydrophobicContact CB-CD1 3.87Å; L191-I240 HydrophobicContact CB-CG2 3.66Å; L191-I240 HydrophobicContact CD2-CD1 4.14Å; I235-I240 HydrophobicContact CG2-CD1 3.46Å; I235-I240 VanDerWaalsContact CG2-CD1 3.46Å; I235-I240 HydrophobicContact CG2-CG1 4.46Å; H238-I240 HydrophobicContact CB-CG2 3.72Å; I240-F243 HydrophobicContact CD1-CB 3.88Å; I240-F243 HydrophobicContact CD1-CD2 4.16Å; I240-F243 HydrophobicContact CD1-CG 4.44Å; I240-V262 HydrophobicContact CD1-CG1 4.29Å; I240-V262 HydrophobicContact CG1-CG1 4.43Å; I240-L296 HydrophobicContact CG2-CD1 3.94Å; I240-L296 HydrophobicContact CG2-CD2 3.78Å
241N93.4Very high91.2Very high37 Ų3747.9 Ų47.920%0.19823%0.233CC..SBendtrans-119.2-14.4169.958.119.8000112.5I185 N187 A188 K189 V262 M263I185-N241 HydrophobicContact CD1-CB 4.34Å; I185-N241 WeakPolarHBondContact CD1-O 3.35Å; I185-N241 HydrophobicContact CG2-CB 4.19Å; N187-N241 PolarHBondContact O-ND2 3.29Å; A188-N241 WeakPolarHBondContact CA-ND2 3.38Å; A188-N241 WeakPolarHBondContact CA-OD1 3.39Å; K189-N241 PolarHBondContact N-ND2 3.11Å; K189-N241 PolarHBondContact N-OD1 2.89Å; K189-N241 PolarHBondContact O-N 3.3Å; K189-N241 VanDerWaalsContact O-N 3.11Å; K189-N241 PolarHBondContact O-OD1 2.74Å; K189-N241 VanDerWaalsContact O-OD1 3.1Å; N241-V262 WeakPolarHBondContact O-CA 3.27Å; N241-M263 PolarHBondContact O-N 2.93Å
242C93.8Very high91.1Very high0 Ų049.9 Ų49.90%024%0.24CC..EExtended strand (participates in β ladder)trans-131.5130.9173.3-176.90000109.8K189 I190 L191 M263 I302K189-C242 PolarHBondContact O-N 3.22Å; I190-C242 WeakPolarHBondContact CA-O 2.83Å; I190-C242 HydrophobicContact CG1-CB 4.07Å; I190-C242 HydrophobicContact CG2-CB 4.49Å; L191-C242 PolarHBondContact N-O 3.16Å; C242-M263 CarbonylContact C-O 3.59Å; C242-M263 WeakPolarHBondContact CA-O 3.4Å; C242-I302 HydrophobicContact CB-CD1 3.92Å
243F93.8Very high91.1Very high0 Ų049.8 Ų49.80%024%0.24CC..EExtended strand (participates in β ladder)trans-118.6119.9176.6179.3-114.7000109.3L191 A193 M197 I235 I240 N245 I249 F257 V262 M263 A264 I265L191-F243 HydrophobicContact CB-CD2 4.3Å; L191-F243 HydrophobicContact CD2-CD2 3.95Å; L191-F243 HydrophobicContact CD2-CE2 4.01Å; L191-F243 HydrophobicContact CG-CD2 4.32Å; A193-F243 HydrophobicContact CB-CE2 3.53Å; A193-F243 HydrophobicContact CB-CZ 3.81Å; M197-F243 HydrophobicContact CE-CE1 4.39Å; M197-F243 HydrophobicContact SD-CE1 3.99Å; M197-F243 HydrophobicContact SD-CZ 3.98Å; I235-F243 HydrophobicContact CD1-CE2 3.89Å; I235-F243 HydrophobicContact CD1-CZ 3.81Å; I235-F243 HydrophobicContact CG1-CE2 4.39Å; I235-F243 HydrophobicContact CG2-CD2 3.81Å; I235-F243 HydrophobicContact CG2-CE2 4.02Å; I235-F243 HydrophobicContact CG2-CG 4.4Å; I240-F243 HydrophobicContact CD1-CB 3.88Å; I240-F243 HydrophobicContact CD1-CD2 4.16Å; I240-F243 HydrophobicContact CD1-CG 4.44Å; F243-N245 HydrophobicContact CD1-CB 4.46Å; F243-N245 HydrophobicContact CE1-CB 3.67Å; F243-N245 HydrophobicContact CZ-CB 3.86Å; F243-I249 HydrophobicContact CD1-CD1 4.03Å; F243-I249 HydrophobicContact CE1-CD1 4.05Å; F243-F257 HydrophobicContact CB-CE1 4.42Å; F243-F257 HydrophobicContact CB-CZ 4.49Å; F243-F257 HydrophobicContact CD1-CD2 4.41Å; F243-F257 HydrophobicContact CD1-CE1 4.24Å; F243-F257 AromaticContact CD1-CE2 3.6Å; F243-F257 HydrophobicContact CD1-CE2 3.6Å; F243-F257 AromaticContact CD1-CZ 3.5Å; F243-F257 HydrophobicContact CD1-CZ 3.5Å; F243-F257 AromaticContact CE1-CE2 3.86Å; F243-F257 HydrophobicContact CE1-CE2 3.86Å; F243-F257 AromaticContact CE1-CZ 3.77Å; F243-F257 HydrophobicContact CE1-CZ 3.77Å; F243-F257 HydrophobicContact CG-CE1 4.3Å; F243-F257 HydrophobicContact CG-CE2 4.44Å; F243-F257 AromaticContact CG-CZ 3.96Å; F243-F257 HydrophobicContact CG-CZ 3.96Å; F243-F257 HydrophobicContact CZ-CZ 4.44Å; F243-V262 HydrophobicContact CB-CG1 4.16Å; F243-M263 PolarHBondContact N-O 3.47Å; F243-A264 CarbonylContact O-C 3.6Å; F243-A264 VanDerWaalsContact O-CA 3.32Å; F243-A264 WeakPolarHBondContact O-CA 3.38Å; F243-I265 PolarHBondContact O-N 2.84Å
244I92.9Very high91Very high0 Ų047.4 Ų47.40%023%0.229CC..EExtended strand (participates in β ladder)trans-114.4118.9176.9-52.9-175.6000107.4I190 L191 I192 A193 I265 H267 L276 F315I190-I244 HydrophobicContact CG2-CD1 3.65Å; I190-I244 HydrophobicContact CG2-CG1 3.89Å; L191-I244 PolarHBondContact O-N 3.42Å; I192-I244 CarbonylContact C-O 3.3Å; I192-I244 WeakPolarHBondContact CA-O 3.42Å; I192-I244 HydrophobicContact CG1-CB 4.48Å; A193-I244 PolarHBondContact N-O 3.43Å; I244-I265 WeakPolarHBondContact CA-O 3.5Å; I244-I265 HydrophobicContact CD1-CD1 4.3Å; I244-I265 HydrophobicContact CG1-CB 4.23Å; I244-I265 HydrophobicContact CG1-CD1 4.19Å; I244-I265 HydrophobicContact CG2-CB 4.48Å; I244-H267 HydrophobicContact CG2-CB 4.27Å; I244-L276 HydrophobicContact CD1-CD1 4.13Å; I244-L276 HydrophobicContact CD1-CD2 4.49Å; I244-L276 HydrophobicContact CG2-CD1 4.15Å; I244-F315 HydrophobicContact CD1-CE1 4.02Å; I244-F315 HydrophobicContact CD1-CZ 3.87Å
245N92.4Very high91Very high0 Ų049.7 Ų49.70%024%0.243CC..EExtended strand (participates in β ladder)trans-113.5138.2178.6-167.433.2000111.4A193 T195 F243 Q247 I249 I265 H267A193-N245 CarbonylContact O-C 3.57Å; A193-N245 WeakPolarHBondContact O-CA 2.98Å; A193-N245 PolarHBondContact O-OD1 3.01Å; T195-N245 PolarHBondContact N-OD1 3.11Å; T195-N245 PolarHBondContact O-ND2 2.97Å; T195-N245 PolarHBondContact O-OD1 3.14Å; T195-N245 VanDerWaalsContact O-OD1 3.14Å; F243-N245 HydrophobicContact CD1-CB 4.46Å; F243-N245 HydrophobicContact CE1-CB 3.67Å; F243-N245 HydrophobicContact CZ-CB 3.86Å; N245-Q247 VanDerWaalsContact C-N 3.3Å; N245-Q247 PolarHBondContact ND2-N 2.97Å; N245-Q247 PolarHBondContact ND2-O 2.57Å; N245-Q247 PolarHBondContact O-N 2.91Å; N245-I249 HydrophobicContact CB-CD1 3.94Å; N245-I249 HydrophobicContact CB-CG1 3.98Å; N245-I265 PolarHBondContact N-O 3.4Å; N245-H267 PolarHBondContact O-N 3.05Å
246R90.9Very high91Very high76 Ų7651.5 Ų51.529%0.28725%0.252SS..SBendtrans-65.3-36.7173.6-161-17284.9178.48.7112.2A193 N194 H267 A268 F270 V273A193-R246 PolarHBondContact O-N 3.32Å; N194-R246 HydrophobicContact CB-CB 4.16Å; N194-R246 PolarHBondContact ND2-NH1 3.33Å; N194-R246 VanDerWaalsContact ND2-NH1 3.11Å; N194-R246 VanDerWaalsContact OD1-CZ 3.24Å; N194-R246 PolarHBondContact OD1-NE 3.26Å; N194-R246 VanDerWaalsContact OD1-NE 3.11Å; R246-H267 CarbonylContact C-O 3.53Å; R246-H267 WeakPolarHBondContact CA-O 3.32Å; R246-H267 CarbonylContact O-C 3.55Å; R246-A268 VanDerWaalsContact O-CA 3.32Å; R246-A268 WeakPolarHBondContact O-CA 3.38Å; R246-F270 VanDerWaalsContact NH1-CD2 3.33Å; R246-V273 HydrophobicContact CB-CG2 4.03Å; R246-V273 HydrophobicContact CG-CG2 3.9Å
247Q88.8Confident91.1Very high77 Ų7749.1 Ų49.136%0.3624%0.24SC..SBendtrans-97170.3-177-50.3-173.620.100110.9N194 T195 N245N194-Q247 PolarHBondContact OD1-NE2 2.96Å; T195-Q247 VanDerWaalsContact C-CD 3.49Å; T195-Q247 WeakPolarHBondContact O-CB 3.3Å; N245-Q247 VanDerWaalsContact C-N 3.3Å; N245-Q247 PolarHBondContact ND2-N 2.97Å; N245-Q247 PolarHBondContact ND2-O 2.57Å; N245-Q247 PolarHBondContact O-N 2.91Å
248L88.1Confident91.1Very high96 Ų9642.9 Ų42.950%0.50322%0.218SC..  trans-56.6141.8-179.5-57177.5000111.8E266L248-E266 WeakPolarHBondContact CA-OE2 3.25Å; L248-E266 VanDerWaalsContact CD2-CD 3.42Å; L248-E266 HydrophobicContact CD2-CG 4.37Å; L248-E266 WeakPolarHBondContact CD2-OE1 3.3Å
249I88.7Confident91.1Very high14 Ų1446.3 Ų46.37%0.07225%0.249CC..  trans-107.9112.7172.9-54.5-179.7000107.6M197 F243 N245 P253 E254 F257 A264 E266M197-I249 HydrophobicContact CG-CG1 4.3Å; F243-I249 HydrophobicContact CD1-CD1 4.03Å; F243-I249 HydrophobicContact CE1-CD1 4.05Å; N245-I249 HydrophobicContact CB-CD1 3.94Å; N245-I249 HydrophobicContact CB-CG1 3.98Å; I249-P253 HydrophobicContact CG2-CB 4.21Å; I249-E254 HydrophobicContact CG2-CB 4.2Å; I249-F257 HydrophobicContact CG2-CE2 4.49Å; I249-A264 HydrophobicContact CD1-CB 3.99Å; I249-E266 HydrophobicContact CD1-CB 4.47Å; I249-E266 HydrophobicContact CG1-CB 4.35Å; I249-E266 PolarHBondContact N-OE2 3.43Å
250Y87.8Confident91.2Very high100 Ų10046.6 Ų46.639%0.39225%0.247SC..  trans-72.7156.6179.2-60.4-82.1000111.8M197 D198 M228 Y252 P253 E254M197-Y250 HydrophobicContact CB-CD2 4.28Å; D198-Y250 HydrophobicContact CB-CD2 4.32Å; D198-Y250 HydrophobicContact CB-CE2 3.56Å; M228-Y250 HydrophobicContact CE-CD2 4.09Å; M228-Y250 HydrophobicContact CE-CG 4.38Å; Y250-Y252 PolarHBondContact O-N 2.84Å; Y250-Y252 VanDerWaalsContact O-N 3.08Å; Y250-P253 WeakPolarHBondContact O-CD 3.12Å; Y250-E254 WeakPolarHBondContact O-CB 3.28Å; Y250-E254 PolarHBondContact O-N 2.91Å
251N89.4Confident91.2Very high132 Ų13248 Ų4871%0.70627%0.265SS*.Hα-helixtrans-52-36.6-177.1-58.81.2000114.2E254 Q255N251-E254 PolarHBondContact O-N 3.39Å; N251-Q255 WeakPolarHBondContact O-CB 3.48Å; N251-Q255 PolarHBondContact O-N 3.41Å
252Y90Very high91.1Very high64 Ų6446.5 Ų46.525%0.25126%0.257SS..Hα-helixtrans-70.8-52.6-177.4-178.2-111.1000112.4K225 M228 K229 Y250 E254 Q255 L256K225-Y252 HydrophobicContact CB-CE1 3.93Å; K225-Y252 HydrophobicContact CG-CD1 4.39Å; K225-Y252 HydrophobicContact CG-CE1 4.24Å; K225-Y252 WeakPolarHBondContact O-CE1 3.43Å; M228-Y252 HydrophobicContact CB-CD1 4.21Å; M228-Y252 HydrophobicContact CB-CE1 4.44Å; M228-Y252 HydrophobicContact SD-CD1 4.41Å; K229-Y252 HydrophobicContact CB-CE1 4.32Å; Y250-Y252 PolarHBondContact O-N 2.84Å; Y250-Y252 VanDerWaalsContact O-N 3.08Å; Y252-E254 VanDerWaalsContact C-N 3.28Å; Y252-E254 PolarHBondContact O-N 3.43Å; Y252-Q255 WeakPolarHBondContact O-CB 3.44Å; Y252-Q255 PolarHBondContact O-N 2.98Å; Y252-L256 HydrophobicContact CD1-CD1 4.34Å; Y252-L256 HydrophobicContact CE1-CD1 3.93Å; Y252-L256 WeakPolarHBondContact O-CG 3.27Å; Y252-L256 PolarHBondContact O-N 3.49Å; Y252-L256 VanDerWaalsContact O-N 3.11Å
253P90.9Very high91.1Very high0 Ų046.5 Ų46.50%026%0.257CS..Hα-helixtrans-52.7-42.2166.1-2932.5000114.3M197 M228 V232 I249 Y250 Q255 L256 F257M197-P253 HydrophobicContact CB-CG 4.23Å; M197-P253 HydrophobicContact CE-CB 3.72Å; M197-P253 HydrophobicContact CE-CG 4.23Å; M228-P253 HydrophobicContact CE-CG 3.58Å; V232-P253 HydrophobicContact CG2-CB 3.9Å; I249-P253 HydrophobicContact CG2-CB 4.21Å; Y250-P253 WeakPolarHBondContact O-CD 3.12Å; P253-Q255 VanDerWaalsContact C-N 3.33Å; P253-Q255 PolarHBondContact O-N 3.48Å; P253-L256 WeakPolarHBondContact O-CB 2.94Å; P253-L256 PolarHBondContact O-N 3.26Å; P253-L256 VanDerWaalsContact O-N 3.16Å; P253-F257 HydrophobicContact CB-CE2 4.35Å; P253-F257 WeakPolarHBondContact O-CD2 3.4Å; P253-F257 PolarHBondContact O-N 3.23Å
254E90.6Very high91.1Very high37 Ų3746.7 Ų46.717%0.17326%0.258CS..Hα-helixtrans-60.6-41.7178.9-167.7-173.7174.800112.2G178 V179 Q181 I249 Y250 N251 Y252 F257 G258G178-E254 VanDerWaalsContact C-OE1 3.3Å; G178-E254 WeakPolarHBondContact CA-OE1 3.41Å; V179-E254 PolarHBondContact N-OE1 3.41Å; Q181-E254 PolarHBondContact NE2-O 2.92Å; I249-E254 HydrophobicContact CG2-CB 4.2Å; Y250-E254 WeakPolarHBondContact O-CB 3.28Å; Y250-E254 PolarHBondContact O-N 2.91Å; N251-E254 PolarHBondContact O-N 3.39Å; Y252-E254 VanDerWaalsContact C-N 3.28Å; Y252-E254 PolarHBondContact O-N 3.43Å; E254-F257 PolarHBondContact O-N 3.23Å; E254-G258 PolarHBondContact O-N 3.46Å
255Q91.4Very high91Very high135 Ų13546.7 Ų46.763%0.63126%0.258SS*.Hα-helixtrans-63.3-40.4174.2-176.3-177.1500111.9N251 Y252 P253 G258 A259N251-Q255 WeakPolarHBondContact O-CB 3.48Å; N251-Q255 PolarHBondContact O-N 3.41Å; Y252-Q255 WeakPolarHBondContact O-CB 3.44Å; Y252-Q255 PolarHBondContact O-N 2.98Å; P253-Q255 VanDerWaalsContact C-N 3.33Å; P253-Q255 PolarHBondContact O-N 3.48Å; Q255-G258 PolarHBondContact O-N 3.34Å; Q255-A259 WeakPolarHBondContact O-CB 3.34Å; Q255-A259 PolarHBondContact O-N 3.05Å
256L92.5Very high90.8Very high38 Ų3850.2 Ų50.220%0.19928%0.275CS..Hα-helixtrans-65.9-40.8177.1-67.2174.2000111.7K229 V232 Y252 P253 A259 A260K229-L256 HydrophobicContact CB-CD1 3.94Å; K229-L256 HydrophobicContact CG-CD1 3.98Å; K229-L256 HydrophobicContact CG-CD2 4.49Å; V232-L256 HydrophobicContact CB-CB 4.49Å; V232-L256 HydrophobicContact CB-CD1 4.13Å; V232-L256 HydrophobicContact CG1-CB 3.81Å; V232-L256 HydrophobicContact CG1-CD1 4.33Å; V232-L256 HydrophobicContact CG2-CD1 4.15Å; Y252-L256 HydrophobicContact CD1-CD1 4.34Å; Y252-L256 HydrophobicContact CE1-CD1 3.93Å; Y252-L256 WeakPolarHBondContact O-CG 3.27Å; Y252-L256 PolarHBondContact O-N 3.49Å; Y252-L256 VanDerWaalsContact O-N 3.11Å; P253-L256 WeakPolarHBondContact O-CB 2.94Å; P253-L256 PolarHBondContact O-N 3.26Å; P253-L256 VanDerWaalsContact O-N 3.16Å; L256-A259 PolarHBondContact O-N 3.18Å; L256-A260 WeakPolarHBondContact O-CB 3.27Å; L256-A260 PolarHBondContact O-N 3.22Å
257F93.2Very high90.2Very high0 Ų047.3 Ų47.30%027%0.265CS..Hα-helixtrans-63.5-43.5172.7-70.1-55.6000111.9M197 V232 I235 L236 F243 I249 P253 E254 A259 A260 G261 V262 A264M197-F257 HydrophobicContact CE-CE2 3.8Å; M197-F257 HydrophobicContact CE-CZ 3.94Å; V232-F257 HydrophobicContact CG1-CD1 4.01Å; V232-F257 HydrophobicContact CG1-CE1 3.75Å; V232-F257 HydrophobicContact CG1-CZ 4.1Å; V232-F257 HydrophobicContact CG2-CE2 4.29Å; V232-F257 HydrophobicContact CG2-CZ 4.1Å; I235-F257 HydrophobicContact CB-CE1 4.49Å; I235-F257 HydrophobicContact CD1-CZ 4.22Å; I235-F257 HydrophobicContact CG2-CE1 3.89Å; I235-F257 HydrophobicContact CG2-CZ 4.2Å; L236-F257 HydrophobicContact CD2-CD1 4.2Å; L236-F257 HydrophobicContact CD2-CE1 4.45Å; F243-F257 HydrophobicContact CB-CE1 4.42Å; F243-F257 HydrophobicContact CB-CZ 4.49Å; F243-F257 HydrophobicContact CD1-CD2 4.41Å; F243-F257 HydrophobicContact CD1-CE1 4.24Å; F243-F257 AromaticContact CD1-CE2 3.6Å; F243-F257 HydrophobicContact CD1-CE2 3.6Å; F243-F257 AromaticContact CD1-CZ 3.5Å; F243-F257 HydrophobicContact CD1-CZ 3.5Å; F243-F257 AromaticContact CE1-CE2 3.86Å; F243-F257 HydrophobicContact CE1-CE2 3.86Å; F243-F257 AromaticContact CE1-CZ 3.77Å; F243-F257 HydrophobicContact CE1-CZ 3.77Å; F243-F257 HydrophobicContact CG-CE1 4.3Å; F243-F257 HydrophobicContact CG-CE2 4.44Å; F243-F257 AromaticContact CG-CZ 3.96Å; F243-F257 HydrophobicContact CG-CZ 3.96Å; F243-F257 HydrophobicContact CZ-CZ 4.44Å; I249-F257 HydrophobicContact CG2-CE2 4.49Å; P253-F257 HydrophobicContact CB-CE2 4.35Å; P253-F257 WeakPolarHBondContact O-CD2 3.4Å; P253-F257 PolarHBondContact O-N 3.23Å; E254-F257 PolarHBondContact O-N 3.23Å; F257-A259 PolarHBondContact O-N 3.26Å; F257-A260 CarbonylContact O-C 3.56Å; F257-A260 PolarHBondContact O-N 2.94Å; F257-G261 PolarHBondContact O-N 2.84Å; F257-G261 VanDerWaalsContact O-N 3.08Å; F257-V262 CarbonylContact C-O 3.49Å; F257-V262 HydrophobicContact CB-CB 4.36Å; F257-V262 HydrophobicContact CD1-CB 4.2Å; F257-V262 HydrophobicContact CD1-CG1 4.06Å; F257-V262 PolarHBondContact O-N 3.46Å; F257-A264 HydrophobicContact CB-CB 4.3Å; F257-A264 HydrophobicContact CD2-CB 3.95Å; F257-A264 HydrophobicContact CG-CB 4.31Å
258G91.5Very high88.9Confident17 Ų1747 Ų4718%0.17528%0.275CS..Hα-helixtrans-59-43.9174.600000112.7E254 Q255 A260 G261E254-G258 PolarHBondContact O-N 3.46Å; Q255-G258 PolarHBondContact O-N 3.34Å; G258-A260 VanDerWaalsContact C-N 3.3Å; G258-A260 PolarHBondContact O-N 3.47Å; G258-G261 PolarHBondContact O-N 3.26Å; G258-G261 VanDerWaalsContact O-N 3.1Å
259A91.6Very high88.5Confident90 Ų9046.5 Ų46.574%0.74427%0.273SS*.Hα-helixtrans-64.7-32.4176.400000113.1Q255 L256 F257 G261Q255-A259 WeakPolarHBondContact O-CB 3.34Å; Q255-A259 PolarHBondContact O-N 3.05Å; L256-A259 PolarHBondContact O-N 3.18Å; F257-A259 PolarHBondContact O-N 3.26Å; A259-G261 VanDerWaalsContact C-N 3.3Å
260A91.8Very high88.1Confident53 Ų5350.7 Ų50.744%0.43829%0.291SS..THydrogen-bonded Turntrans-81.6-5.2175.100000113.7L236 L256 F257 G258 V262L236-A260 HydrophobicContact CD1-CB 3.71Å; L236-A260 HydrophobicContact CD2-CB 3.76Å; L236-A260 HydrophobicContact CG-CB 4.41Å; L256-A260 WeakPolarHBondContact O-CB 3.27Å; L256-A260 PolarHBondContact O-N 3.22Å; F257-A260 CarbonylContact O-C 3.56Å; F257-A260 PolarHBondContact O-N 2.94Å; G258-A260 VanDerWaalsContact C-N 3.3Å; G258-A260 PolarHBondContact O-N 3.47Å; A260-V262 VanDerWaalsContact C-N 3.34Å; A260-V262 HydrophobicContact CB-CG2 4.27Å
261G91Very high87.7Confident42 Ų4248 Ų4843%0.43329%0.29SS..THydrogen-bonded Turntrans71.325.4-175.600000114F257 G258 A259F257-G261 PolarHBondContact O-N 2.84Å; F257-G261 VanDerWaalsContact O-N 3.08Å; G258-G261 PolarHBondContact O-N 3.26Å; G258-G261 VanDerWaalsContact O-N 3.1Å; A259-G261 VanDerWaalsContact C-N 3.3Å
262V92.9Very high87.4Confident5 Ų542 Ų423%0.0326%0.258CS..  trans-99.3131.2177.8175.40000109.9L236 I240 N241 F243 F257 A260L236-V262 HydrophobicContact CD2-CB 4.29Å; L236-V262 HydrophobicContact CD2-CG2 3.5Å; L236-V262 VanDerWaalsContact CD2-CG2 3.5Å; I240-V262 HydrophobicContact CD1-CG1 4.29Å; I240-V262 HydrophobicContact CG1-CG1 4.43Å; N241-V262 WeakPolarHBondContact O-CA 3.27Å; F243-V262 HydrophobicContact CB-CG1 4.16Å; F257-V262 CarbonylContact C-O 3.49Å; F257-V262 HydrophobicContact CB-CB 4.36Å; F257-V262 HydrophobicContact CD1-CB 4.2Å; F257-V262 HydrophobicContact CD1-CG1 4.06Å; F257-V262 PolarHBondContact O-N 3.46Å; A260-V262 VanDerWaalsContact C-N 3.34Å; A260-V262 HydrophobicContact CB-CG2 4.27Å
263M93.4Very high87.2Confident0 Ų039 Ų390%025%0.247CC..EExtended strand (participates in β ladder)trans-75.1124172.4178.8-170.4-66.300109.5I177 P182 I185 N241 C242 F243 I265 I302I177-M263 HydrophobicContact CD1-CE 3.75Å; I177-M263 HydrophobicContact CD1-CG 4.47Å; I177-M263 HydrophobicContact CD1-SD 4.03Å; I177-M263 HydrophobicContact CG1-CE 4.42Å; I177-M263 HydrophobicContact CG1-CG 4.17Å; I177-M263 HydrophobicContact CG1-SD 4.08Å; I177-M263 HydrophobicContact CG2-CG 3.78Å; P182-M263 HydrophobicContact CG-CB 4.42Å; P182-M263 WeakPolarHBondContact O-CE 3.45Å; I185-M263 HydrophobicContact CB-CE 4.5Å; I185-M263 HydrophobicContact CD1-CB 3.43Å; I185-M263 VanDerWaalsContact CD1-CB 3.43Å; I185-M263 HydrophobicContact CD1-CE 3.8Å; I185-M263 HydrophobicContact CD1-CG 4.47Å; I185-M263 HydrophobicContact CD1-SD 4.38Å; I185-M263 HydrophobicContact CG1-CE 3.9Å; N241-M263 PolarHBondContact O-N 2.93Å; C242-M263 CarbonylContact C-O 3.59Å; C242-M263 WeakPolarHBondContact CA-O 3.4Å; F243-M263 PolarHBondContact N-O 3.47Å; M263-I265 HydrophobicContact CG-CG1 4.22Å; M263-I265 HydrophobicContact SD-CD1 3.99Å; M263-I265 HydrophobicContact SD-CG1 4.31Å; M263-I302 HydrophobicContact CE-CB 4.28Å; M263-I302 HydrophobicContact CE-CG2 3.79Å; M263-I302 HydrophobicContact SD-CB 4.47Å; M263-I302 HydrophobicContact SD-CG2 3.62Å
264A92.9Very high86.9Confident4 Ų443.2 Ų43.23%0.03327%0.266CS..EExtended strand (participates in β ladder)trans-108.1131.9174.400000110.2G178 Q181 F243 I249 F257G178-A264 PolarHBondContact N-O 2.92Å; Q181-A264 PolarHBondContact OE1-O 3.06Å; F243-A264 CarbonylContact O-C 3.6Å; F243-A264 VanDerWaalsContact O-CA 3.32Å; F243-A264 WeakPolarHBondContact O-CA 3.38Å; I249-A264 HydrophobicContact CD1-CB 3.99Å; F257-A264 HydrophobicContact CB-CB 4.3Å; F257-A264 HydrophobicContact CD2-CB 3.95Å; F257-A264 HydrophobicContact CG-CB 4.31Å
265I90.8Very high86.7Confident0 Ų044 Ų440%027%0.268CS..EExtended strand (participates in β ladder)trans-124.5120.4177.9-55.6172.6000108L173 K175 F243 I244 N245 M263 I313 F315L173-I265 HydrophobicContact CD2-CG2 3.74Å; K175-I265 HydrophobicContact CB-CG2 4.16Å; F243-I265 PolarHBondContact O-N 2.84Å; I244-I265 WeakPolarHBondContact CA-O 3.5Å; I244-I265 HydrophobicContact CD1-CD1 4.3Å; I244-I265 HydrophobicContact CG1-CB 4.23Å; I244-I265 HydrophobicContact CG1-CD1 4.19Å; I244-I265 HydrophobicContact CG2-CB 4.48Å; N245-I265 PolarHBondContact N-O 3.4Å; M263-I265 HydrophobicContact CG-CG1 4.22Å; M263-I265 HydrophobicContact SD-CD1 3.99Å; M263-I265 HydrophobicContact SD-CG1 4.31Å; I265-I313 HydrophobicContact CB-CD1 4.49Å; I265-I313 HydrophobicContact CD1-CD1 3.55Å; I265-I313 HydrophobicContact CD1-CG2 4.16Å; I265-I313 HydrophobicContact CG1-CD1 3.73Å; I265-I313 HydrophobicContact CG2-CD1 3.96Å; I265-F315 HydrophobicContact CD1-CZ 3.75Å
266E88.4Confident86.5Confident74 Ų7437.5 Ų37.535%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-86125171.3-176.3-173.9115.800110K175 L248 I249K175-E266 WeakPolarHBondContact CD-O 3.34Å; L248-E266 WeakPolarHBondContact CA-OE2 3.25Å; L248-E266 VanDerWaalsContact CD2-CD 3.42Å; L248-E266 HydrophobicContact CD2-CG 4.37Å; L248-E266 WeakPolarHBondContact CD2-OE1 3.3Å; I249-E266 HydrophobicContact CD1-CB 4.47Å; I249-E266 HydrophobicContact CG1-CB 4.35Å; I249-E266 PolarHBondContact N-OE2 3.43Å
267H78.8Confident86.3Confident15 Ų1536.2 Ų36.27%0.06923%0.232CC..  trans-138.3100-178.8-165.546.8000113.9I244 N245 R246 D269 G272 V273I244-H267 HydrophobicContact CG2-CB 4.27Å; N245-H267 PolarHBondContact O-N 3.05Å; R246-H267 CarbonylContact C-O 3.53Å; R246-H267 WeakPolarHBondContact CA-O 3.32Å; R246-H267 CarbonylContact O-C 3.55Å; H267-D269 VanDerWaalsContact C-N 3.35Å; H267-D269 PolarHBondContact O-N 3.36Å; H267-G272 VanDerWaalsContact NE2-CA 3.32Å; H267-G272 WeakPolarHBondContact NE2-CA 3.4Å; H267-V273 HydrophobicContact CB-CG2 4.21Å
268A61.5Low85.9Confident71 Ų7139.6 Ų39.659%0.58725%0.25SC*.  trans-69.6-21.5-173.100000116.3R246R246-A268 VanDerWaalsContact O-CA 3.32Å; R246-A268 WeakPolarHBondContact O-CA 3.38Å
269D79Confident85.7Confident85 Ų8538.8 Ų38.846%0.45524%0.241SC..  trans-85.8131-170.3-173.619.4000112.1H267 A271 G272 V273H267-D269 VanDerWaalsContact C-N 3.35Å; H267-D269 PolarHBondContact O-N 3.36Å; D269-A271 PolarHBondContact OD1-N 3.48Å; D269-G272 PolarHBondContact OD2-N 2.92Å; D269-V273 WeakPolarHBondContact O-CG2 3.39Å; D269-V273 PolarHBondContact O-N 3.33Å; D269-V273 VanDerWaalsContact O-N 3.12Å
270F80.1Confident85.5Confident103 Ų10334.5 Ų34.545%0.45221%0.206SC..Hα-helixtrans-65-48.2179.1-172.7-102.8000111.1R246 G272 V273 E274R246-F270 VanDerWaalsContact NH1-CD2 3.33Å; F270-G272 VanDerWaalsContact C-N 3.3Å; F270-G272 PolarHBondContact O-N 3.39Å; F270-V273 PolarHBondContact O-N 3.14Å; F270-E274 HydrophobicContact CD1-CG 4.39Å; F270-E274 HydrophobicContact CE1-CG 4.11Å; F270-E274 WeakPolarHBondContact CE1-OE1 3.36Å; F270-E274 WeakPolarHBondContact CE1-OE2 3.31Å; F270-E274 HydrophobicContact CZ-CG 4.26Å; F270-E274 WeakPolarHBondContact CZ-OE1 3.23Å; F270-E274 WeakPolarHBondContact O-CG 3.41Å; F270-E274 PolarHBondContact O-N 2.98Å
271A80.3Confident85.3Confident44 Ų4433 Ų3336%0.36420%0.196SC..Hα-helixtrans-63.2-38.7-179.100000111.4D269 R275D269-A271 PolarHBondContact OD1-N 3.48Å; A271-R275 VanDerWaalsContact O-CB 3.26Å; A271-R275 WeakPolarHBondContact O-CB 3.16Å; A271-R275 PolarHBondContact O-N 3.31Å
272G82Confident85.2Confident4 Ų431.5 Ų31.54%0.04118%0.18CC..Hα-helixtrans-67.9-38.2177.100000113.9H267 D269 F270 R275 L276H267-G272 VanDerWaalsContact NE2-CA 3.32Å; H267-G272 WeakPolarHBondContact NE2-CA 3.4Å; D269-G272 PolarHBondContact OD2-N 2.92Å; F270-G272 VanDerWaalsContact C-N 3.3Å; F270-G272 PolarHBondContact O-N 3.39Å; G272-R275 PolarHBondContact O-N 3.46Å; G272-L276 WeakPolarHBondContact O-CB 3.32Å; G272-L276 WeakPolarHBondContact O-CG 3.32Å; G272-L276 PolarHBondContact O-N 2.87Å
273V85.8Confident85.1Confident2 Ų236.3 Ų36.31%0.01220%0.202CC..Hα-helixtrans-67.6-42.3174.81740000111.7I192 R246 H267 D269 F270 L276 A277 I284I192-V273 HydrophobicContact CG2-CG1 3.37Å; R246-V273 HydrophobicContact CB-CG2 4.03Å; R246-V273 HydrophobicContact CG-CG2 3.9Å; H267-V273 HydrophobicContact CB-CG2 4.21Å; D269-V273 WeakPolarHBondContact O-CG2 3.39Å; D269-V273 PolarHBondContact O-N 3.33Å; D269-V273 VanDerWaalsContact O-N 3.12Å; F270-V273 PolarHBondContact O-N 3.14Å; V273-L276 PolarHBondContact O-N 3.23Å; V273-A277 PolarHBondContact O-N 2.95Å; V273-I284 HydrophobicContact CG1-CD1 3.89Å; V273-I284 HydrophobicContact CG1-CG1 4.12Å
274E86Confident85Confident88 Ų8839.3 Ų39.341%0.41122%0.218SC..Hα-helixtrans-62.7-42.7175.2-72.3-173.6146.600111.9F270 L276 A277 L278 I284F270-E274 HydrophobicContact CD1-CG 4.39Å; F270-E274 HydrophobicContact CE1-CG 4.11Å; F270-E274 WeakPolarHBondContact CE1-OE1 3.36Å; F270-E274 WeakPolarHBondContact CE1-OE2 3.31Å; F270-E274 HydrophobicContact CZ-CG 4.26Å; F270-E274 WeakPolarHBondContact CZ-OE1 3.23Å; F270-E274 WeakPolarHBondContact O-CG 3.41Å; F270-E274 PolarHBondContact O-N 2.98Å; E274-L276 PolarHBondContact O-N 2.88Å; E274-A277 WeakPolarHBondContact O-CB 3.5Å; E274-A277 PolarHBondContact O-N 3.29Å; E274-L278 PolarHBondContact O-N 3.35Å; E274-I284 HydrophobicContact CG-CD1 3.85Å
275R85Confident84.9Confident53 Ų5339.6 Ų39.620%0.222%0.22CC..Hα-helixtrans-61.6-44.8174.9-169.3178-67132.21.7111.5E150 H153 F171 A271 G272 A277 L278 V279E150-R275 WeakPolarHBondContact O-CD 3.28Å; E150-R275 WeakPolarHBondContact O-CG 3.23Å; E150-R275 PolarHBondContact O-NE 3.01Å; H153-R275 PolarHBondContact ND1-NH1 2.93Å; F171-R275 VanDerWaalsContact CE2-CD 3.47Å; F171-R275 HydrophobicContact CE2-CG 3.81Å; F171-R275 HydrophobicContact CZ-CG 4.35Å; A271-R275 VanDerWaalsContact O-CB 3.26Å; A271-R275 WeakPolarHBondContact O-CB 3.16Å; A271-R275 PolarHBondContact O-N 3.31Å; G272-R275 PolarHBondContact O-N 3.46Å; R275-A277 VanDerWaalsContact C-N 3.29Å; R275-A277 PolarHBondContact O-N 3.36Å; R275-L278 WeakPolarHBondContact O-CB 3.33Å; R275-L278 PolarHBondContact O-N 3.39Å; R275-V279 HydrophobicContact CG-CG2 4.27Å; R275-V279 WeakPolarHBondContact O-CB 3.23Å; R275-V279 WeakPolarHBondContact O-CG2 3.04Å; R275-V279 PolarHBondContact O-N 3.33Å
276L87.3Confident84.7Confident0 Ų042.8 Ų42.80%024%0.242CC..Hα-helixtrans-59.7-39.8174.7-80.7165.9000112.2F171 L173 I192 I244 G272 V273 E274 V279 T280 F315F171-L276 HydrophobicContact CD1-CD2 3.37Å; F171-L276 HydrophobicContact CD1-CG 4.24Å; F171-L276 HydrophobicContact CE1-CD1 4.39Å; F171-L276 HydrophobicContact CE1-CD2 3.27Å; F171-L276 HydrophobicContact CE1-CG 3.64Å; F171-L276 HydrophobicContact CG-CD2 4.35Å; F171-L276 HydrophobicContact CZ-CD2 4.19Å; F171-L276 HydrophobicContact CZ-CG 4.17Å; L173-L276 HydrophobicContact CD1-CD1 4.4Å; L173-L276 HydrophobicContact CD2-CD1 4.11Å; I192-L276 HydrophobicContact CD1-CB 4.21Å; I244-L276 HydrophobicContact CD1-CD1 4.13Å; I244-L276 HydrophobicContact CD1-CD2 4.49Å; I244-L276 HydrophobicContact CG2-CD1 4.15Å; G272-L276 WeakPolarHBondContact O-CB 3.32Å; G272-L276 WeakPolarHBondContact O-CG 3.32Å; G272-L276 PolarHBondContact O-N 2.87Å; V273-L276 PolarHBondContact O-N 3.23Å; E274-L276 PolarHBondContact O-N 2.88Å; L276-V279 PolarHBondContact O-N 3.02Å; L276-T280 VanDerWaalsContact O-CB 3.31Å; L276-T280 WeakPolarHBondContact O-CB 3.33Å; L276-T280 VanDerWaalsContact O-CG2 3.26Å; L276-T280 WeakPolarHBondContact O-CG2 3.39Å; L276-T280 PolarHBondContact O-N 3.23Å; L276-T280 PolarHBondContact O-OG1 3.48Å; L276-F315 HydrophobicContact CD2-CD2 4.49Å; L276-F315 HydrophobicContact CD2-CE2 4.19Å; L276-F315 HydrophobicContact CD2-CZ 4.23Å
277A88.3Confident84.5Confident10 Ų1044.1 Ų44.18%0.08326%0.255CS..Hα-helixtrans-62.5-47.2175.900000111.5I192 V273 E274 R275 V279 G281 G282 I284I192-A277 VanDerWaalsContact CD1-CA 3.4Å; I192-A277 HydrophobicContact CD1-CB 3.86Å; V273-A277 PolarHBondContact O-N 2.95Å; E274-A277 WeakPolarHBondContact O-CB 3.5Å; E274-A277 PolarHBondContact O-N 3.29Å; R275-A277 VanDerWaalsContact C-N 3.29Å; R275-A277 PolarHBondContact O-N 3.36Å; A277-V279 PolarHBondContact O-N 3.47Å; A277-G281 CarbonylContact O-C 3.6Å; A277-G281 WeakPolarHBondContact O-CA 3.27Å; A277-G281 PolarHBondContact O-N 3.38Å; A277-G282 WeakPolarHBondContact CB-O 3.49Å; A277-G282 PolarHBondContact O-N 2.94Å; A277-G282 VanDerWaalsContact O-N 3.12Å; A277-I284 HydrophobicContact CB-CD1 4.42Å; A277-I284 HydrophobicContact CB-CG1 3.93Å
278L85.6Confident85Confident71 Ų7144 Ų4437%0.37226%0.255SS..Hα-helixtrans-57.7-50175.2-170.991.7000111.8A151 E274 R275 G281 L320A151-L278 HydrophobicContact CB-CD2 4.34Å; E274-L278 PolarHBondContact O-N 3.35Å; R275-L278 WeakPolarHBondContact O-CB 3.33Å; R275-L278 PolarHBondContact O-N 3.39Å; L278-G281 PolarHBondContact O-N 3.1Å; L278-L320 HydrophobicContact CD2-CD2 4.02Å; L278-L320 HydrophobicContact CG-CD2 4.08Å
279V86.2Confident86.1Confident0 Ų045 Ų450%025%0.25CS..Hα-helixtrans-69.7-43.8-173.3172.10000111.9F171 R275 L276 A277 G281 V318 L320 A323F171-V279 HydrophobicContact CB-CG1 4.08Å; F171-V279 HydrophobicContact CD2-CG2 4.28Å; R275-V279 HydrophobicContact CG-CG2 4.27Å; R275-V279 WeakPolarHBondContact O-CB 3.23Å; R275-V279 WeakPolarHBondContact O-CG2 3.04Å; R275-V279 PolarHBondContact O-N 3.33Å; L276-V279 PolarHBondContact O-N 3.02Å; A277-V279 PolarHBondContact O-N 3.47Å; V279-G281 VanDerWaalsContact C-N 3.32Å; V279-V318 HydrophobicContact CG1-CB 3.56Å; V279-V318 HydrophobicContact CG1-CG1 3.61Å; V279-V318 HydrophobicContact CG1-CG2 3.61Å; V279-L320 WeakPolarHBondContact O-CB 3.45Å; V279-L320 PolarHBondContact O-N 3.4Å; V279-L320 VanDerWaalsContact O-N 3.1Å; V279-A323 HydrophobicContact CB-CB 4.01Å; V279-A323 HydrophobicContact CG1-CB 3.43Å; V279-A323 VanDerWaalsContact CG1-CB 3.43Å; V279-A323 HydrophobicContact CG2-CB 3.45Å; V279-A323 VanDerWaalsContact CG2-CB 3.45Å
280T88.1Confident86.3Confident1 Ų145.9 Ų45.91%0.00625%0.251CS..Hα-helixtrans-81.7-13.4-179.864.60000113I190 L276 G282 G297 S298I190-T280 HydrophobicContact CD1-CG2 3.55Å; L276-T280 VanDerWaalsContact O-CB 3.31Å; L276-T280 WeakPolarHBondContact O-CB 3.33Å; L276-T280 VanDerWaalsContact O-CG2 3.26Å; L276-T280 WeakPolarHBondContact O-CG2 3.39Å; L276-T280 PolarHBondContact O-N 3.23Å; L276-T280 PolarHBondContact O-OG1 3.48Å; T280-G282 VanDerWaalsContact C-N 3.29Å; T280-G297 WeakPolarHBondContact O-CA 3.36Å; T280-S298 PolarHBondContact O-N 3.32Å
281G87.3Confident86.5Confident22 Ų2243.3 Ų43.323%0.22725%0.245CC..THydrogen-bonded Turntrans76.411.4-177.300000114.8A277 L278 V279 K295A277-G281 CarbonylContact O-C 3.6Å; A277-G281 WeakPolarHBondContact O-CA 3.27Å; A277-G281 PolarHBondContact O-N 3.38Å; L278-G281 PolarHBondContact O-N 3.1Å; V279-G281 VanDerWaalsContact C-N 3.32Å; G281-K295 WeakPolarHBondContact O-CD 3.41Å; G281-K295 WeakPolarHBondContact O-CE 3.34Å; G281-K295 PolarHBondContact O-NZ 3.18Å
282G88.6Confident86.6Confident9 Ų947.8 Ų47.89%0.09326%0.259CS..  trans-87.8165.9179.200000113.3A277 T280 K295A277-G282 WeakPolarHBondContact CB-O 3.49Å; A277-G282 PolarHBondContact O-N 2.94Å; A277-G282 VanDerWaalsContact O-N 3.12Å; T280-G282 VanDerWaalsContact C-N 3.29Å; G282-K295 WeakPolarHBondContact CA-O 3.42Å
283E90.8Very high86.8Confident106 Ų10653.6 Ų53.650%0.49529%0.288SS..  trans-105.5149.4174.3-73.8173.6-170.800111.1A285 K295E283-A285 PolarHBondContact O-N 3.16Å; E283-K295 HydrophobicContact CB-CB 4.24Å; E283-K295 HydrophobicContact CG-CB 3.93Å; E283-K295 HydrophobicContact CG-CD 4.42Å; E283-K295 PolarHBondContact N-O 2.88Å
284I91.7Very high86.9Confident64 Ų6454.8 Ų54.833%0.32830%0.295SS..EExtended strand (participates in β ladder)trans-80.6109.2176.6-55.1172.8000108.6I192 N194 V273 E274 A277I192-I284 HydrophobicContact CG2-CG1 4.01Å; N194-I284 HydrophobicContact CB-CG2 3.83Å; V273-I284 HydrophobicContact CG1-CD1 3.89Å; V273-I284 HydrophobicContact CG1-CG1 4.12Å; E274-I284 HydrophobicContact CG-CD1 3.85Å; A277-I284 HydrophobicContact CB-CD1 4.42Å; A277-I284 HydrophobicContact CB-CG1 3.93Å
285A91Very high87.1Confident9 Ų956.2 Ų56.27%0.07430%0.3CS..EExtended strand (participates in β ladder)trans-90.5143.617900000112.5L191 I192 A193 N194 E283 F288 V294L191-A285 HydrophobicContact CD1-CB 4.23Å; I192-A285 PolarHBondContact O-N 3.23Å; A193-A285 CarbonylContact C-O 3.56Å; A193-A285 WeakPolarHBondContact CA-O 3.16Å; N194-A285 PolarHBondContact N-O 3.38Å; E283-A285 PolarHBondContact O-N 3.16Å; A285-F288 HydrophobicContact CB-CE1 4.25Å; A285-V294 HydrophobicContact CB-CG1 3.83Å; A285-V294 HydrophobicContact CB-CG2 4.2Å
286S86.8Confident87.4Confident67 Ų6756 Ų5647%0.46930%0.303SS..SBendtrans-116.8-20.8169.3-69.60000113N194N194-S286 PolarHBondContact O-OG 2.85Å
287T85.2Confident87.6Confident102 Ų10256.1 Ų56.163%0.62630%0.303SS*.  trans-117.5145.7177.250.70000109.6
288F87.7Confident87.7Confident13 Ų1358.6 Ų58.66%0.05732%0.32CS..  trans-125.14.5-171.7-50.6-73.4000113.6L191 A193 T195 R234 I235 H238 A285 H290L191-F288 HydrophobicContact CD2-CD1 3.99Å; L191-F288 HydrophobicContact CD2-CE1 3.94Å; A193-F288 HydrophobicContact CB-CE1 3.94Å; A193-F288 HydrophobicContact CB-CZ 3.83Å; T195-F288 HydrophobicContact CG2-CE2 3.63Å; T195-F288 HydrophobicContact CG2-CZ 3.6Å; R234-F288 HydrophobicContact CB-CB 4.17Å; I235-F288 HydrophobicContact CD1-CD2 4.41Å; I235-F288 HydrophobicContact CD1-CE1 4.44Å; I235-F288 HydrophobicContact CD1-CE2 4.31Å; I235-F288 HydrophobicContact CD1-CZ 4.32Å; I235-F288 HydrophobicContact CG1-CB 4.31Å; I235-F288 HydrophobicContact CG1-CD1 3.71Å; I235-F288 HydrophobicContact CG1-CD2 4.03Å; I235-F288 HydrophobicContact CG1-CE1 4.01Å; I235-F288 HydrophobicContact CG1-CE2 4.32Å; I235-F288 HydrophobicContact CG1-CG 3.72Å; I235-F288 HydrophobicContact CG1-CZ 4.31Å; H238-F288 PolarHBondContact NE2-O 3.34Å; A285-F288 HydrophobicContact CB-CE1 4.25Å; F288-H290 VanDerWaalsContact C-N 3.33Å; F288-H290 PolarHBondContact O-N 3.36Å
289D84.7Confident87.9Confident91 Ų9155.5 Ų55.549%0.48730%0.304SS..SBendtrans-74-24.8-172.6-57.4-49.8000113R234 P291R234-D289 WeakPolarHBondContact CD-OD1 3.29Å; R234-D289 IonicContact CZ-OD1 2.77Å; R234-D289 IonicContact NE-OD1 2.74Å; R234-D289 IonicContact NH1-OD1 3.75Å; R234-D289 PolarHBondContact NH1-OD1 3.09Å; D289-P291 WeakPolarHBondContact O-CD 3.21Å
290H84.7Confident88.2Confident104 Ų10462.5 Ų62.548%0.48134%0.335SS..  trans-120.787.5-175.7-68-70.1000111.3F288 E292 L293F288-H290 VanDerWaalsContact C-N 3.33Å; F288-H290 PolarHBondContact O-N 3.36Å; H290-E292 WeakPolarHBondContact CB-OE1 3.45Å; H290-E292 IonicContact CG-OE1 3.5Å; H290-E292 IonicContact ND1-OE1 3.68Å; H290-E292 PolarHBondContact ND1-OE1 3.42Å; H290-E292 PolarHBondContact O-N 3.48Å; H290-L293 HydrophobicContact CB-CB 4.31Å; H290-L293 HydrophobicContact CB-CD1 3.76Å; H290-L293 HydrophobicContact CB-CG 3.94Å; H290-L293 PolarHBondContact O-N 3Å
291P82.9Confident88.4Confident49 Ų4963.9 Ų63.932%0.31834%0.342SS..G310 helixtrans-56.6-30.7178.2-25.134.7000114.9H238 D289 L293 V294H238-P291 WeakPolarHBondContact CE1-CA 2.94Å; H238-P291 WeakPolarHBondContact ND1-CA 2.99Å; D289-P291 WeakPolarHBondContact O-CD 3.21Å; P291-L293 PolarHBondContact O-N 2.62Å; P291-V294 PolarHBondContact O-N 3.05Å
292E83.7Confident88.7Confident139 Ų13962.8 Ų62.865%0.6533%0.331SS*.G310 helixtrans-66.1-19.8179.765.3-78.8-175.800114.1H290H290-E292 WeakPolarHBondContact CB-OE1 3.45Å; H290-E292 IonicContact CG-OE1 3.5Å; H290-E292 IonicContact ND1-OE1 3.68Å; H290-E292 PolarHBondContact ND1-OE1 3.42Å; H290-E292 PolarHBondContact O-N 3.48Å
293L85.4Confident88.9Confident126 Ų12664.8 Ų64.866%0.6634%0.338SS*.G310 helixtrans-95.7-9.4-177.5-61.6-179.3000113.4H290 P291H290-L293 HydrophobicContact CB-CB 4.31Å; H290-L293 HydrophobicContact CB-CD1 3.76Å; H290-L293 HydrophobicContact CB-CG 3.94Å; H290-L293 PolarHBondContact O-N 3Å; P291-L293 PolarHBondContact O-N 2.62Å
294V87.3Confident89Confident26 Ų2662 Ų6216%0.15833%0.325CS..  trans-104.8118.8-172.9-177.10000110.6L191 A285 P291 L296L191-V294 HydrophobicContact CD1-CG1 3.55Å; A285-V294 HydrophobicContact CB-CG1 3.83Å; A285-V294 HydrophobicContact CB-CG2 4.2Å; P291-V294 PolarHBondContact O-N 3.05Å; V294-L296 HydrophobicContact CG1-CD2 4.45Å; V294-L296 PolarHBondContact O-N 3.47Å
295K90.8Very high89Confident119 Ų11960.5 Ų60.552%0.51732%0.319SS..  trans-78.6112.1173.9-169.1-176.3179.9-160.10110.6G281 G282 E283G281-K295 WeakPolarHBondContact O-CD 3.41Å; G281-K295 WeakPolarHBondContact O-CE 3.34Å; G281-K295 PolarHBondContact O-NZ 3.18Å; G282-K295 WeakPolarHBondContact CA-O 3.42Å; E283-K295 HydrophobicContact CB-CB 4.24Å; E283-K295 HydrophobicContact CG-CB 3.93Å; E283-K295 HydrophobicContact CG-CD 4.42Å; E283-K295 PolarHBondContact N-O 2.88Å
296L91.6Very high89Confident49 Ų4966.2 Ų66.226%0.25735%0.345SS..  trans-75.5142.7175.5-57.5-179.1000111.3K189 L191 I240 V294K189-L296 HydrophobicContact CB-CD1 4.33Å; L191-L296 HydrophobicContact CB-CD2 4.01Å; L191-L296 HydrophobicContact CD1-CD2 3.63Å; L191-L296 HydrophobicContact CG-CD2 4.43Å; I240-L296 HydrophobicContact CG2-CD1 3.94Å; I240-L296 HydrophobicContact CG2-CD2 3.78Å; V294-L296 HydrophobicContact CG1-CD2 4.45Å; V294-L296 PolarHBondContact O-N 3.47Å
297G91.2Very high89Confident1 Ų163.6 Ų63.61%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-73.6157168.300000111.4I190 T280I190-G297 PolarHBondContact N-O 2.86Å; I190-G297 PolarHBondContact O-N 3.32Å; T280-G297 WeakPolarHBondContact O-CA 3.36Å
298S91Very high89Confident62 Ų6260.6 Ų60.643%0.43432%0.316SS..EExtended strand (participates in β ladder)trans-131.8142.9178.665.10000112.2A188 T280A188-S298 WeakPolarHBondContact O-CA 3.19Å; T280-S298 PolarHBondContact O-N 3.32Å
299C90.5Very high88.9Confident7 Ų769.1 Ų69.15%0.04736%0.355CS..EExtended strand (participates in β ladder)trans-151141177.6-173.80000109.8N187 A188 I190 L301 I302 S316N187-C299 CarbonylContact C-O 3.56Å; N187-C299 WeakPolarHBondContact CA-O 3.26Å; A188-C299 HydrophobicContact CB-CB 4.19Å; A188-C299 PolarHBondContact N-O 2.71Å; A188-C299 PolarHBondContact O-N 3.36Å; I190-C299 HydrophobicContact CD1-CB 3.8Å; C299-L301 PolarHBondContact SG-O 3.31Å; C299-L301 VanDerWaalsContact SG-O 3.36Å; C299-I302 HydrophobicContact CB-CG1 4.36Å; C299-S316 PolarHBondContact SG-N 3.03Å; C299-S316 PolarHBondContact SG-O 2.63Å
300K91.9Very high89.1Confident146 Ų14668.3 Ų68.364%0.63535%0.351SS*.EExtended strand (participates in β ladder)trans-69.5-39.9-178.2-68.9-179.4-172.9173.80112.5E186 N187 S316 G317E186-K300 CarbonylContact C-O 3.45Å; E186-K300 WeakPolarHBondContact CA-O 3.32Å; N187-K300 PolarHBondContact N-O 3.05Å; K300-S316 WeakPolarHBondContact CB-O 3.46Å; K300-S316 PolarHBondContact N-O 3.11Å; K300-G317 PolarHBondContact N-O 3.25Å; K300-G317 VanDerWaalsContact N-O 3.14Å
301L92.5Very high89.4Confident30 Ų3066.7 Ų66.716%0.15734%0.343CS..EExtended strand (participates in β ladder)trans-147.7129.6-176.9176.969.5000109.7R184 I185 E186 C299 E303 S316R184-L301 HydrophobicContact CG-CD1 3.74Å; I185-L301 CarbonylContact O-C 3.5Å; I185-L301 WeakPolarHBondContact O-CA 3.17Å; E186-L301 HydrophobicContact CG-CD1 3.91Å; C299-L301 PolarHBondContact SG-O 3.31Å; C299-L301 VanDerWaalsContact SG-O 3.36Å; L301-E303 HydrophobicContact CD2-CG 4.41Å; L301-E303 HydrophobicContact CG-CG 4.47Å; L301-S316 PolarHBondContact N-O 3.03Å; L301-S316 PolarHBondContact O-N 3.4Å
302I93.1Very high89.8Confident0 Ų064.3 Ų64.30%033%0.327CS..EExtended strand (participates in β ladder)trans-114.1125.9166.2-55.7176.2000107.5R184 I185 A188 I190 C242 M263 C299 I313 H314 F315R184-I302 CarbonylContact C-O 3.58Å; R184-I302 WeakPolarHBondContact CA-O 3.42Å; I185-I302 PolarHBondContact N-O 2.93Å; I185-I302 PolarHBondContact O-N 3.22Å; A188-I302 HydrophobicContact CB-CD1 3.33Å; A188-I302 HydrophobicContact CB-CG1 3.75Å; I190-I302 HydrophobicContact CD1-CD1 3.97Å; I190-I302 HydrophobicContact CG1-CD1 4.08Å; C242-I302 HydrophobicContact CB-CD1 3.92Å; M263-I302 HydrophobicContact CE-CB 4.28Å; M263-I302 HydrophobicContact CE-CG2 3.79Å; M263-I302 HydrophobicContact SD-CB 4.47Å; M263-I302 HydrophobicContact SD-CG2 3.62Å; C299-I302 HydrophobicContact CB-CG1 4.36Å; I302-I313 HydrophobicContact CG2-CG2 3.48Å; I302-I313 VanDerWaalsContact CG2-CG2 3.48Å; I302-H314 CarbonylContact C-O 3.53Å; I302-H314 VanDerWaalsContact CA-O 3.27Å; I302-H314 WeakPolarHBondContact CA-O 3.08Å; I302-F315 HydrophobicContact CD1-CD1 3.76Å; I302-F315 HydrophobicContact CD1-CE1 3.55Å; I302-F315 HydrophobicContact CG1-CD1 3.67Å; I302-F315 HydrophobicContact CG1-CE1 3.93Å; I302-F315 HydrophobicContact CG1-CG 4.46Å; I302-F315 HydrophobicContact CG2-CD1 4.38Å; I302-F315 HydrophobicContact CG2-CE1 4.22Å; I302-F315 HydrophobicContact CG2-CZ 4.44Å
303E92.8Very high90.2Very high51 Ų5157.7 Ų57.724%0.23830%0.296CS..EExtended strand (participates in β ladder)trans-143151.7175.163.8-175.6-179.400114.1K183 R184 L301 V305 H314K183-E303 VanDerWaalsContact O-CA 3.32Å; K183-E303 WeakPolarHBondContact O-CA 3.35Å; R184-E303 HydrophobicContact CB-CB 4.36Å; R184-E303 HydrophobicContact CG-CB 4.28Å; R184-E303 IonicContact CZ-OE2 2.73Å; R184-E303 IonicContact NH1-OE2 3.14Å; R184-E303 PolarHBondContact NH1-OE2 3.02Å; L301-E303 HydrophobicContact CD2-CG 4.41Å; L301-E303 HydrophobicContact CG-CG 4.47Å; E303-V305 HydrophobicContact CG-CG1 4.01Å; E303-V305 PolarHBondContact O-N 3.42Å; E303-H314 HydrophobicContact CG-CB 4.39Å; E303-H314 PolarHBondContact N-O 2.75Å; E303-H314 PolarHBondContact O-N 2.65Å
304E92Very high90.5Very high46 Ų4652.7 Ų52.722%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-76.7113.8170.4-175.4174.2-105.600109.5I177 K183 K311 L312I177-E304 HydrophobicContact CD1-CB 3.99Å; K183-E304 HydrophobicContact CB-CB 4.48Å; K183-E304 IonicContact NZ-OE2 2.89Å; K183-E304 PolarHBondContact NZ-OE2 2.86Å; K183-E304 PolarHBondContact O-N 3.38Å; E304-K311 HydrophobicContact CG-CB 4.24Å; E304-K311 HydrophobicContact CG-CD 4.43Å; E304-K311 IonicContact OE2-NZ 3.46Å; E304-K311 PolarHBondContact OE2-NZ 3.22Å; E304-K311 VanDerWaalsContact OE2-NZ 3.14Å; E304-L312 CarbonylContact C-O 3.33Å; E304-L312 WeakPolarHBondContact CA-O 3.13Å
305V92.2Very high90.6Very high34 Ų3451.5 Ų51.521%0.20626%0.262CS..EExtended strand (participates in β ladder)trans-108.6151.1175.1-60.20000110.4L172 E303 L312 H314L172-V305 HydrophobicContact CD2-CG2 3.7Å; E303-V305 HydrophobicContact CG-CG1 4.01Å; E303-V305 PolarHBondContact O-N 3.42Å; V305-L312 HydrophobicContact CG2-CB 3.98Å; V305-L312 PolarHBondContact N-O 2.98Å; V305-L312 PolarHBondContact O-N 3.32Å; V305-L312 VanDerWaalsContact O-O 3.13Å; V305-H314 HydrophobicContact CB-CB 4.49Å; V305-H314 HydrophobicContact CG1-CB 3.73Å; V305-H314 HydrophobicContact CG2-CB 3.92Å
306M90.3Very high90.5Very high128 Ų12847.3 Ų47.363%0.63125%0.248SC*.EExtended strand (participates in β ladder)trans-108.6120.2177.2-171.9178-66.800109.2D310 K311M306-D310 WeakPolarHBondContact CA-O 3.45Å; M306-K311 HydrophobicContact CE-CG 4.41Å
307I87.9Confident90.2Very high13 Ų1346.6 Ų46.67%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-117.7108.9175-59.3-170000108K157 Y166 L172 E309 D310 L312 V327K157-I307 HydrophobicContact CB-CG2 4.29Å; K157-I307 HydrophobicContact CG-CG2 4.16Å; Y166-I307 VanDerWaalsContact OH-CD1 3.24Å; Y166-I307 WeakPolarHBondContact OH-CD1 3.23Å; L172-I307 HydrophobicContact CD1-CD1 3.93Å; I307-E309 PolarHBondContact O-N 3.07Å; I307-D310 PolarHBondContact N-O 3.13Å; I307-D310 PolarHBondContact O-N 3.41Å; I307-L312 HydrophobicContact CB-CD1 3.82Å; I307-L312 HydrophobicContact CD1-CD1 3.45Å; I307-L312 VanDerWaalsContact CD1-CD1 3.45Å; I307-L312 HydrophobicContact CG1-CD1 3.69Å; I307-V327 HydrophobicContact CD1-CG1 4.09Å; I307-V327 HydrophobicContact CD1-CG2 4.01Å; I307-V327 HydrophobicContact CG2-CG1 4Å
308G85.3Confident89.7Confident39 Ų3947.1 Ų47.140%0.40226%0.255SS..THydrogen-bonded Turntrans66.8-121.9-169.600000110.6
309E86.4Confident88.9Confident191 Ų19147.1 Ų47.189%0.89326%0.26SS*.THydrogen-bonded Turntrans-97.5-10177.5-61.7-179.3-178.700112.6I307I307-E309 PolarHBondContact O-N 3.07Å
310D88.9Confident88Confident74 Ų7449.3 Ų49.340%0.39627%0.271SS..EExtended strand (participates in β ladder)trans-93.5144.3-175.4-73.4-33.9000112.2K157 M306 I307K157-D310 HydrophobicContact CD-CB 4.12Å; K157-D310 VanDerWaalsContact CD-OD2 3.28Å; K157-D310 WeakPolarHBondContact CD-OD2 3.33Å; K157-D310 WeakPolarHBondContact CE-OD2 3.21Å; K157-D310 IonicContact NZ-OD2 3.75Å; K157-D310 PolarHBondContact NZ-OD2 2.89Å; M306-D310 WeakPolarHBondContact CA-O 3.45Å; I307-D310 PolarHBondContact N-O 3.13Å; I307-D310 PolarHBondContact O-N 3.41Å
311K89.7Confident87Confident70 Ų7045.1 Ų45.130%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-96.3128.2171.3-64.7-179.7169.2-155.40109.5E304 M306E304-K311 HydrophobicContact CG-CB 4.24Å; E304-K311 HydrophobicContact CG-CD 4.43Å; E304-K311 IonicContact OE2-NZ 3.46Å; E304-K311 PolarHBondContact OE2-NZ 3.22Å; E304-K311 VanDerWaalsContact OE2-NZ 3.14Å; M306-K311 HydrophobicContact CE-CG 4.41Å
312L91.6Very high86.2Confident0 Ų045.5 Ų45.50%027%0.27CS..EExtended strand (participates in β ladder)trans-122.4161-179.8-62.6175.3000109.3K157 L173 D174 E304 V305 I307K157-L312 VanDerWaalsContact CE-CD2 3.48Å; L173-L312 WeakPolarHBondContact O-CA 3.44Å; D174-L312 HydrophobicContact CB-CD2 3.63Å; D174-L312 WeakPolarHBondContact OD1-CD2 3.39Å; E304-L312 CarbonylContact C-O 3.33Å; E304-L312 WeakPolarHBondContact CA-O 3.13Å; V305-L312 HydrophobicContact CG2-CB 3.98Å; V305-L312 PolarHBondContact N-O 2.98Å; V305-L312 PolarHBondContact O-N 3.32Å; V305-L312 VanDerWaalsContact O-O 3.13Å; I307-L312 HydrophobicContact CB-CD1 3.82Å; I307-L312 HydrophobicContact CD1-CD1 3.45Å; I307-L312 VanDerWaalsContact CD1-CD1 3.45Å; I307-L312 HydrophobicContact CG1-CD1 3.69Å
313I91.5Very high85.6Confident0 Ų045.5 Ų45.50%027%0.27CS..EExtended strand (participates in β ladder)trans-106.3123.2173.5-56.1171.8000107.8L172 L173 K175 I177 I265 I302 F315L172-I313 CarbonylContact C-O 3.51Å; L172-I313 WeakPolarHBondContact CA-O 3.19Å; L173-I313 HydrophobicContact CB-CB 4.37Å; L173-I313 PolarHBondContact N-O 3.48Å; L173-I313 PolarHBondContact O-N 3.31Å; K175-I313 HydrophobicContact CB-CD1 4.38Å; K175-I313 WeakPolarHBondContact O-CG1 3.4Å; I177-I313 HydrophobicContact CD1-CG1 4.37Å; I177-I313 HydrophobicContact CG1-CD1 3.63Å; I177-I313 HydrophobicContact CG1-CG1 3.91Å; I265-I313 HydrophobicContact CB-CD1 4.49Å; I265-I313 HydrophobicContact CD1-CD1 3.55Å; I265-I313 HydrophobicContact CD1-CG2 4.16Å; I265-I313 HydrophobicContact CG1-CD1 3.73Å; I265-I313 HydrophobicContact CG2-CD1 3.96Å; I302-I313 HydrophobicContact CG2-CG2 3.48Å; I302-I313 VanDerWaalsContact CG2-CG2 3.48Å; I313-F315 HydrophobicContact CB-CE2 4.13Å; I313-F315 HydrophobicContact CG2-CD2 4.13Å; I313-F315 HydrophobicContact CG2-CE2 3.56Å; I313-F315 HydrophobicContact CG2-CZ 3.95Å
314H91.4Very high85.4Confident21 Ų2143.1 Ų43.110%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-100.7123.2179.2-174.5-140.5000110.7D168 L172 I302 E303 V305 S316D168-H314 VanDerWaalsContact CG-NE2 3.34Å; D168-H314 IonicContact OD1-CD2 2.62Å; D168-H314 IonicContact OD1-CE1 3.55Å; D168-H314 IonicContact OD1-NE2 3.3Å; D168-H314 PolarHBondContact OD1-NE2 2.92Å; D168-H314 IonicContact OD2-CE1 2.74Å; D168-H314 IonicContact OD2-NE2 2.71Å; D168-H314 PolarHBondContact OD2-NE2 2.99Å; L172-H314 HydrophobicContact CD2-CB 3.72Å; L172-H314 VanDerWaalsContact CD2-CD2 3.46Å; L172-H314 WeakPolarHBondContact CD2-CD2 3.33Å; I302-H314 CarbonylContact C-O 3.53Å; I302-H314 VanDerWaalsContact CA-O 3.27Å; I302-H314 WeakPolarHBondContact CA-O 3.08Å; E303-H314 HydrophobicContact CG-CB 4.39Å; E303-H314 PolarHBondContact N-O 2.75Å; E303-H314 PolarHBondContact O-N 2.65Å; V305-H314 HydrophobicContact CB-CB 4.49Å; V305-H314 HydrophobicContact CG1-CB 3.73Å; V305-H314 HydrophobicContact CG2-CB 3.92Å; H314-S316 PolarHBondContact CE1-OG 3.48Å; H314-S316 PolarHBondContact ND1-OG 3.2Å; H314-S316 VanDerWaalsContact ND1-OG 3.12Å
315F90.8Very high85.4Confident0 Ų040.9 Ų40.90%025%0.248CC..EExtended strand (participates in β ladder)trans-105102.8174-63.9-102.7000108.9G170 F171 L173 I190 I244 I265 L276 I302 I313 V318G170-F315 WeakPolarHBondContact CA-O 3.38Å; F171-F315 HydrophobicContact CB-CB 4.15Å; F171-F315 HydrophobicContact CD1-CD2 4.08Å; F171-F315 PolarHBondContact N-O 2.86Å; F171-F315 WeakPolarHBondContact O-CB 3.44Å; F171-F315 WeakPolarHBondContact O-CD2 3.33Å; F171-F315 PolarHBondContact O-N 2.9Å; L173-F315 HydrophobicContact CB-CE2 3.99Å; L173-F315 HydrophobicContact CD2-CE2 4.22Å; I190-F315 HydrophobicContact CD1-CD1 4.08Å; I190-F315 HydrophobicContact CD1-CE1 4.04Å; I244-F315 HydrophobicContact CD1-CE1 4.02Å; I244-F315 HydrophobicContact CD1-CZ 3.87Å; I265-F315 HydrophobicContact CD1-CZ 3.75Å; L276-F315 HydrophobicContact CD2-CD2 4.49Å; L276-F315 HydrophobicContact CD2-CE2 4.19Å; L276-F315 HydrophobicContact CD2-CZ 4.23Å; I302-F315 HydrophobicContact CD1-CD1 3.76Å; I302-F315 HydrophobicContact CD1-CE1 3.55Å; I302-F315 HydrophobicContact CG1-CD1 3.67Å; I302-F315 HydrophobicContact CG1-CE1 3.93Å; I302-F315 HydrophobicContact CG1-CG 4.46Å; I302-F315 HydrophobicContact CG2-CD1 4.38Å; I302-F315 HydrophobicContact CG2-CE1 4.22Å; I302-F315 HydrophobicContact CG2-CZ 4.44Å; I313-F315 HydrophobicContact CB-CE2 4.13Å; I313-F315 HydrophobicContact CG2-CD2 4.13Å; I313-F315 HydrophobicContact CG2-CE2 3.56Å; I313-F315 HydrophobicContact CG2-CZ 3.95Å; F315-V318 HydrophobicContact CB-CG1 4.01Å
316S89Confident85.5Confident31 Ų3139.3 Ų39.322%0.21724%0.238CC..EExtended strand (participates in β ladder)trans-99.6134.4-178-88.10000112.2C299 K300 L301 H314C299-S316 PolarHBondContact SG-N 3.03Å; C299-S316 PolarHBondContact SG-O 2.63Å; K300-S316 WeakPolarHBondContact CB-O 3.46Å; K300-S316 PolarHBondContact N-O 3.11Å; L301-S316 PolarHBondContact N-O 3.03Å; L301-S316 PolarHBondContact O-N 3.4Å; H314-S316 PolarHBondContact CE1-OG 3.48Å; H314-S316 PolarHBondContact ND1-OG 3.2Å; H314-S316 VanDerWaalsContact ND1-OG 3.12Å
317G84.4Confident85.7Confident35 Ų3533.2 Ų33.236%0.36121%0.208SC..EExtended strand (participates in β ladder)trans7049.6176.700000113K300K300-G317 PolarHBondContact N-O 3.25Å; K300-G317 VanDerWaalsContact N-O 3.14Å
318V81.7Confident86Confident11 Ų1132.6 Ų32.67%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-69.6152.3176.5-68.40000111.5V279 F315 L320 A323V279-V318 HydrophobicContact CG1-CB 3.56Å; V279-V318 HydrophobicContact CG1-CG1 3.61Å; V279-V318 HydrophobicContact CG1-CG2 3.61Å; F315-V318 HydrophobicContact CB-CG1 4.01Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 WeakPolarHBondContact CG2-O 3.31Å; V318-L320 PolarHBondContact O-N 2.96Å; V318-A323 HydrophobicContact CG2-CB 4.16Å
319A73Confident86.3Confident63 Ų6332.1 Ų32.152%0.52119%0.191SC..SBendtrans-60.3-43-176.300000112.2G321A319-G321 VanDerWaalsContact C-N 3.31Å; A319-G321 PolarHBondContact O-N 3.25Å; A319-G321 VanDerWaalsContact O-N 3.1Å
320L72.6Confident86.6Confident53 Ų5323 Ų2328%0.27715%0.149SC..SBendtrans-81.881.5170.1-160.280.9000108.3L278 V279 V318 E322 A323L278-L320 HydrophobicContact CD2-CD2 4.02Å; L278-L320 HydrophobicContact CG-CD2 4.08Å; V279-L320 WeakPolarHBondContact O-CB 3.45Å; V279-L320 PolarHBondContact O-N 3.4Å; V279-L320 VanDerWaalsContact O-N 3.1Å; V318-L320 VanDerWaalsContact C-N 3.33Å; V318-L320 WeakPolarHBondContact CG2-O 3.31Å; V318-L320 PolarHBondContact O-N 2.96Å; L320-E322 HydrophobicContact CG-CB 4.28Å; L320-E322 PolarHBondContact O-N 2.77Å; L320-A323 PolarHBondContact O-N 3.19Å
321G70.5Confident86.7Confident57 Ų5723.1 Ų23.159%0.58816%0.159SC*.THydrogen-bonded Turntrans-62.711.2179.600000115.5A319A319-G321 VanDerWaalsContact C-N 3.31Å; A319-G321 PolarHBondContact O-N 3.25Å; A319-G321 VanDerWaalsContact O-N 3.1Å
322E75.8Confident86.7Confident39 Ų3922.4 Ų22.418%0.18216%0.161CC..THydrogen-bonded Turntrans-91.4-21172.8-55.6-17417300111.9R142 K144 S146 L320R142-E322 WeakPolarHBondContact O-CA 3.34Å; R142-E322 VanDerWaalsContact O-CB 3.25Å; R142-E322 WeakPolarHBondContact O-CB 3.43Å; R142-E322 VanDerWaalsContact O-CG 3.32Å; R142-E322 WeakPolarHBondContact O-CG 3.48Å; K144-E322 HydrophobicContact CD-CG 4.38Å; S146-E322 PolarHBondContact OG-OE2 3.49Å; L320-E322 HydrophobicContact CG-CB 4.28Å; L320-E322 PolarHBondContact O-N 2.77Å
323A81.1Confident86.7Confident0 Ų025.8 Ų25.80%018%0.177CC..  trans-71.7136.8-178.100000111.5A151 V279 V318 L320A151-A323 WeakPolarHBondContact O-CA 3.43Å; V279-A323 HydrophobicContact CB-CB 4.01Å; V279-A323 HydrophobicContact CG1-CB 3.43Å; V279-A323 VanDerWaalsContact CG1-CB 3.43Å; V279-A323 HydrophobicContact CG2-CB 3.45Å; V279-A323 VanDerWaalsContact CG2-CB 3.45Å; V318-A323 HydrophobicContact CG2-CB 4.16Å; L320-A323 PolarHBondContact O-N 3.19Å
324C88.3Confident86.5Confident0 Ų029.5 Ų29.50%019%0.194CC..EExtended strand (participates in β ladder)trans-147.5159.517858.90000110.5A151 H153 L167 D168 G170A151-C324 PolarHBondContact O-N 2.92Å; H153-C324 PolarHBondContact N-O 3.07Å; L167-C324 HydrophobicContact CD1-CB 3.8Å; D168-C324 WeakPolarHBondContact O-CA 3.3Å; D168-C324 WeakPolarHBondContact O-CB 3.23Å; G170-C324 CarbonylContact O-C 3.54Å
325T91.1Very high86.4Confident0 Ų031 Ų310%020%0.203CC..EExtended strand (participates in β ladder)trans-121.8123.9177-50.60000110.7H153 I155 D168 G170 F171 L172 V327H153-T325 HydrophobicContact CB-CG2 4.05Å; H153-T325 CarbonylContact O-C 3.53Å; H153-T325 VanDerWaalsContact O-CA 3.25Å; H153-T325 WeakPolarHBondContact O-CA 3.41Å; H153-T325 WeakPolarHBondContact O-CG2 3.34Å; I155-T325 HydrophobicContact CB-CG2 4.44Å; I155-T325 HydrophobicContact CD1-CG2 3.84Å; I155-T325 HydrophobicContact CG1-CG2 3.79Å; D168-T325 WeakPolarHBondContact CB-O 3.42Å; D168-T325 PolarHBondContact N-O 3.48Å; D168-T325 PolarHBondContact O-N 2.67Å; G170-T325 PolarHBondContact O-N 2.81Å; G170-T325 VanDerWaalsContact O-N 3.09Å; G170-T325 PolarHBondContact O-OG1 3.19Å; F171-T325 WeakPolarHBondContact CA-OG1 3.37Å; L172-T325 HydrophobicContact CB-CG2 3.95Å; L172-T325 HydrophobicContact CD1-CG2 4.09Å; L172-T325 HydrophobicContact CG-CG2 4.41Å; L172-T325 PolarHBondContact N-OG1 3.15Å; T325-V327 HydrophobicContact CG2-CG2 4.5Å
326I93.6Very high86.4Confident0 Ų031 Ų310%020%0.203CC..EExtended strand (participates in β ladder)trans-90.1115.7170.1-57.7171.4000107.9A139 I152 H153 I154 I155 L167 L328 L343 L347A139-I326 HydrophobicContact CB-CD1 3.94Å; I152-I326 HydrophobicContact CG2-CD1 3.89Å; I152-I326 HydrophobicContact CG2-CG1 4.25Å; H153-I326 PolarHBondContact O-N 3.08Å; I154-I326 WeakPolarHBondContact CA-O 3.36Å; I155-I326 PolarHBondContact N-O 2.79Å; L167-I326 HydrophobicContact CD1-CD1 4.43Å; L167-I326 HydrophobicContact CD1-CG1 3.58Å; I326-L328 HydrophobicContact CG2-CD2 4.13Å; I326-L328 HydrophobicContact CG2-CG 4.47Å; I326-L343 HydrophobicContact CB-CD2 4.2Å; I326-L343 HydrophobicContact CD1-CD1 4.34Å; I326-L343 HydrophobicContact CD1-CD2 3.76Å; I326-L343 HydrophobicContact CD1-CG 4.36Å; I326-L343 HydrophobicContact CG2-CD2 3.63Å; I326-L347 HydrophobicContact CD1-CD1 4.2Å
327V94.2Very high86.5Confident0 Ų032.3 Ų32.30%021%0.207CC..EExtended strand (participates in β ladder)trans-92.3112.3175.3-178.30000108.2S165 Y166 L172 I307 T325 R329S165-V327 CarbonylContact C-O 3.47Å; S165-V327 WeakPolarHBondContact CA-O 3.34Å; S165-V327 WeakPolarHBondContact CB-O 3.33Å; Y166-V327 HydrophobicContact CD1-CB 4.33Å; Y166-V327 HydrophobicContact CE1-CB 4.02Å; Y166-V327 HydrophobicContact CE1-CG1 4.16Å; Y166-V327 HydrophobicContact CE1-CG2 4.37Å; Y166-V327 HydrophobicContact CE2-CG2 4.25Å; Y166-V327 PolarHBondContact N-O 2.85Å; Y166-V327 VanDerWaalsContact N-O 3.07Å; Y166-V327 PolarHBondContact O-N 3.06Å; L172-V327 HydrophobicContact CD1-CG2 3.3Å; I307-V327 HydrophobicContact CD1-CG1 4.09Å; I307-V327 HydrophobicContact CD1-CG2 4.01Å; I307-V327 HydrophobicContact CG2-CG1 4Å; T325-V327 HydrophobicContact CG2-CG2 4.5Å; V327-R329 HydrophobicContact CG1-CG 4.46Å
328L94.5Very high86.7Confident0 Ų030.9 Ų30.90%019%0.191CC..EExtended strand (participates in β ladder)trans-90.8123.6174.2-64.5178.5000110.3F132 I154 I155 K156 K157 I326 L336 A339 E340 L343F132-L328 HydrophobicContact CE1-CD2 3.6Å; F132-L328 HydrophobicContact CZ-CD2 4.32Å; I154-L328 HydrophobicContact CG2-CD1 3.49Å; I154-L328 VanDerWaalsContact CG2-CD1 3.49Å; I154-L328 HydrophobicContact CG2-CG 3.92Å; I155-L328 PolarHBondContact O-N 3.03Å; K156-L328 HydrophobicContact CG-CD1 4.42Å; K157-L328 PolarHBondContact N-O 2.91Å; I326-L328 HydrophobicContact CG2-CD2 4.13Å; I326-L328 HydrophobicContact CG2-CG 4.47Å; L328-L336 HydrophobicContact CB-CD2 3.93Å; L328-A339 HydrophobicContact CD1-CB 4.33Å; L328-E340 VanDerWaalsContact CD1-CA 3.5Å; L328-E340 HydrophobicContact CD1-CB 3.78Å; L328-L343 HydrophobicContact CD1-CD2 4.47Å; L328-L343 HydrophobicContact CD2-CD2 4.07Å
329R93Very high87.2Confident30 Ų3030.4 Ų30.411%0.11319%0.188CC..EExtended strand (participates in β ladder)trans-109.5146.2174.7-61.6-66.1-71.2158.90.2109.4K157 L158 G159 S161 L162 D164 S165 V327 L336K157-R329 PolarHBondContact O-NH1 3.32Å; L158-R329 PolarHBondContact O-NH1 3.41Å; L158-R329 PolarHBondContact O-NH2 2.85Å; G159-R329 VanDerWaalsContact O-CZ 3.25Å; G159-R329 PolarHBondContact O-NE 3.12Å; G159-R329 PolarHBondContact O-NH2 3.48Å; S161-R329 WeakPolarHBondContact O-CB 3.39Å; L162-R329 VanDerWaalsContact CA-O 3.29Å; L162-R329 WeakPolarHBondContact CA-O 3.28Å; L162-R329 WeakPolarHBondContact CD2-O 3.35Å; D164-R329 HydrophobicContact CB-CB 4.03Å; D164-R329 HydrophobicContact CB-CG 4.13Å; S165-R329 PolarHBondContact OG-N 3.45Å; V327-R329 HydrophobicContact CG1-CG 4.46Å; R329-L336 VanDerWaalsContact C-CD2 3.5Å
330G91.5Very high88Confident0 Ų030.2 Ų30.20%018%0.176CC..EExtended strand (participates in β ladder)trans-177.7151.5-173.200000113.4G159G159-G330 PolarHBondContact N-O 3.41Å; G159-G330 PolarHBondContact O-N 3.47Å
331A91.2Very high88.8Confident75 Ų7530 Ų3062%0.6217%0.172SC*.SBendtrans-70.6-34.1-173.800000113.4
332T90.9Very high89.8Confident55 Ų5527.4 Ų27.434%0.33714%0.144SC..SBendtrans-134.4154.7-177.468.20000111.1Q334 I335 L336T332-Q334 VanDerWaalsContact C-N 3.27Å; T332-Q334 PolarHBondContact O-N 3.25Å; T332-I335 PolarHBondContact O-N 3.16Å; T332-I335 WeakPolarHBondContact OG1-CD1 3.35Å; T332-I335 VanDerWaalsContact OG1-CG1 3.3Å; T332-I335 WeakPolarHBondContact OG1-CG1 3.42Å; T332-I335 PolarHBondContact OG1-N 2.8Å; T332-L336 PolarHBondContact O-N 3.14Å; T332-L336 VanDerWaalsContact O-N 3.15Å
333Q89.7Confident90.5Very high71 Ų7125.5 Ų25.533%0.33214%0.136SC..Hα-helixtrans-61.1-37.4179.2-170.561.140.200111.8L158 I335 L336 D337L158-Q333 HydrophobicContact CD2-CB 4.29Å; Q333-I335 VanDerWaalsContact C-N 3.34Å; Q333-I335 PolarHBondContact O-N 2.98Å; Q333-L336 WeakPolarHBondContact O-CB 3.32Å; Q333-L336 PolarHBondContact O-N 2.88Å; Q333-D337 PolarHBondContact NE2-OD1 3.41Å; Q333-D337 WeakPolarHBondContact O-CB 3.5Å; Q333-D337 PolarHBondContact O-N 3.38Å
334Q87.9Confident91Very high79 Ų7929.7 Ų29.737%0.36916%0.155SC..Hα-helixtrans-64.2-39.6-179.9-62.280.35.800112T332 E338T332-Q334 VanDerWaalsContact C-N 3.27Å; T332-Q334 PolarHBondContact O-N 3.25Å; Q334-E338 WeakPolarHBondContact O-CB 3.42Å; Q334-E338 PolarHBondContact O-N 3.01Å; Q334-E338 VanDerWaalsContact O-N 3.09Å
335I89.3Confident91Very high53 Ų5329.9 Ų29.927%0.27216%0.156SC..Hα-helixtrans-65.9-41.9175.4-69.4170.9000110L124 L162 T332 Q333 E338 A339L124-I335 HydrophobicContact CD2-CB 4.25Å; L124-I335 HydrophobicContact CD2-CG1 4.19Å; L124-I335 HydrophobicContact CD2-CG2 3.97Å; L162-I335 HydrophobicContact CD1-CG2 3.68Å; L162-I335 HydrophobicContact CD2-CG2 3.91Å; L162-I335 HydrophobicContact CG-CG2 3.87Å; T332-I335 PolarHBondContact O-N 3.16Å; T332-I335 WeakPolarHBondContact OG1-CD1 3.35Å; T332-I335 VanDerWaalsContact OG1-CG1 3.3Å; T332-I335 WeakPolarHBondContact OG1-CG1 3.42Å; T332-I335 PolarHBondContact OG1-N 2.8Å; Q333-I335 VanDerWaalsContact C-N 3.34Å; Q333-I335 PolarHBondContact O-N 2.98Å; I335-E338 PolarHBondContact O-N 3.18Å; I335-A339 WeakPolarHBondContact O-CB 3.26Å; I335-A339 PolarHBondContact O-N 3.42Å
336L92Very high91.1Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-65-42.9178.1-74.4175.1000112.7K156 L158 L328 R329 T332 Q333 A339 E340K156-L336 HydrophobicContact CB-CB 4.28Å; K156-L336 HydrophobicContact CB-CD1 4.27Å; K156-L336 HydrophobicContact CD-CB 4.06Å; K156-L336 HydrophobicContact CG-CB 4.23Å; L158-L336 HydrophobicContact CD2-CD1 3.76Å; L158-L336 HydrophobicContact CG-CD1 4.14Å; L328-L336 HydrophobicContact CB-CD2 3.93Å; R329-L336 VanDerWaalsContact C-CD2 3.5Å; T332-L336 PolarHBondContact O-N 3.14Å; T332-L336 VanDerWaalsContact O-N 3.15Å; Q333-L336 WeakPolarHBondContact O-CB 3.32Å; Q333-L336 PolarHBondContact O-N 2.88Å; L336-A339 PolarHBondContact O-N 2.84Å; L336-E340 WeakPolarHBondContact O-CB 3.25Å; L336-E340 PolarHBondContact O-N 3.25Å
337D90Very high91Very high58 Ų5830.1 Ų30.131%0.3116%0.157SC..Hα-helixtrans-64.7-41.3178.5-66.1-21.4000111K156 Q333 R341K156-D337 IonicContact NZ-OD1 2.98Å; K156-D337 PolarHBondContact NZ-OD1 2.88Å; Q333-D337 PolarHBondContact NE2-OD1 3.41Å; Q333-D337 WeakPolarHBondContact O-CB 3.5Å; Q333-D337 PolarHBondContact O-N 3.38Å; D337-R341 PolarHBondContact O-N 3.29Å; D337-R341 VanDerWaalsContact O-N 3.1Å
338E88.3Confident90.9Very high5 Ų530.8 Ų30.82%0.02316%0.162CC..Hα-helixtrans-73.8-32.5176.6-172.564.4178.600112.5T17 N18 L124 Q334 I335 R341 S342T17-E338 WeakPolarHBondContact CA-OE1 3.47Å; T17-E338 WeakPolarHBondContact CA-OE2 3.32Å; T17-E338 VanDerWaalsContact CB-OE2 3.25Å; T17-E338 WeakPolarHBondContact CB-OE2 3.44Å; T17-E338 PolarHBondContact OG1-OE1 3.33Å; T17-E338 PolarHBondContact OG1-OE2 2.91Å; N18-E338 PolarHBondContact N-OE1 3.1Å; L124-E338 HydrophobicContact CB-CG 4.01Å; L124-E338 HydrophobicContact CD2-CB 4.08Å; L124-E338 HydrophobicContact CD2-CG 4.16Å; Q334-E338 WeakPolarHBondContact O-CB 3.42Å; Q334-E338 PolarHBondContact O-N 3.01Å; Q334-E338 VanDerWaalsContact O-N 3.09Å; I335-E338 PolarHBondContact O-N 3.18Å; E338-R341 IonicContact OE2-CZ 3.26Å; E338-R341 IonicContact OE2-NH1 2.77Å; E338-R341 PolarHBondContact OE2-NH1 2.66Å; E338-S342 VanDerWaalsContact O-CB 3.29Å; E338-S342 WeakPolarHBondContact O-CB 3.38Å; E338-S342 PolarHBondContact O-N 3.3Å; E338-S342 PolarHBondContact O-OG 2.78Å
339A91.9Very high90.8Very high0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-64.7-45.2172.600000111.7L125 L162 L328 I335 L336 S342 L343L125-A339 HydrophobicContact CD2-CB 3.71Å; L125-A339 HydrophobicContact CG-CB 4.44Å; L162-A339 HydrophobicContact CD2-CB 3.83Å; L328-A339 HydrophobicContact CD1-CB 4.33Å; I335-A339 WeakPolarHBondContact O-CB 3.26Å; I335-A339 PolarHBondContact O-N 3.42Å; L336-A339 PolarHBondContact O-N 2.84Å; A339-S342 PolarHBondContact O-N 3.1Å; A339-L343 VanDerWaalsContact O-CB 3.23Å; A339-L343 WeakPolarHBondContact O-CB 3.18Å; A339-L343 PolarHBondContact O-N 2.96Å
340E91.7Very high90.8Very high59 Ų5929.4 Ų29.428%0.27616%0.156SC..Hα-helixtrans-57.8-48.5174.4175.3-178-14600110.9I154 K156 L328 L336 L343 H344I154-E340 HydrophobicContact CD1-CG 4.46Å; I154-E340 HydrophobicContact CG2-CB 4.47Å; I154-E340 HydrophobicContact CG2-CG 4.07Å; K156-E340 HydrophobicContact CD-CB 4.05Å; K156-E340 VanDerWaalsContact CD-OE2 3.23Å; K156-E340 WeakPolarHBondContact CD-OE2 3.45Å; K156-E340 WeakPolarHBondContact CE-OE2 3.36Å; K156-E340 HydrophobicContact CG-CB 4.39Å; K156-E340 IonicContact NZ-OE2 3.88Å; K156-E340 PolarHBondContact NZ-OE2 3.01Å; L328-E340 VanDerWaalsContact CD1-CA 3.5Å; L328-E340 HydrophobicContact CD1-CB 3.78Å; L336-E340 WeakPolarHBondContact O-CB 3.25Å; L336-E340 PolarHBondContact O-N 3.25Å; E340-L343 PolarHBondContact O-N 2.78Å; E340-H344 WeakPolarHBondContact O-CB 3.39Å; E340-H344 PolarHBondContact O-N 3.47Å
341R88.4Confident90.7Very high50 Ų5029.6 Ų29.619%0.18916%0.158CC..Hα-helixtrans-59.9-51.2177.2-175.3-179.4-69.3126.8-3.5111.8M15 T17 T22 D337 E338 L343 H344 D345M15-R341 PolarHBondContact SD-NH2 3.02Å; M15-R341 VanDerWaalsContact SD-NH2 3.4Å; T17-R341 VanDerWaalsContact CB-NH1 3.33Å; T17-R341 PolarHBondContact OG1-NH1 3.1Å; T17-R341 VanDerWaalsContact OG1-NH1 3.08Å; T22-R341 PolarHBondContact OG1-NE 3.05Å; D337-R341 PolarHBondContact O-N 3.29Å; D337-R341 VanDerWaalsContact O-N 3.1Å; E338-R341 IonicContact OE2-CZ 3.26Å; E338-R341 IonicContact OE2-NH1 2.77Å; E338-R341 PolarHBondContact OE2-NH1 2.66Å; R341-L343 PolarHBondContact O-N 2.94Å; R341-H344 WeakPolarHBondContact O-CB 3.07Å; R341-H344 PolarHBondContact O-N 3.48Å; R341-H344 VanDerWaalsContact O-N 3.14Å; R341-D345 VanDerWaalsContact O-CG 3.24Å; R341-D345 PolarHBondContact O-N 2.98Å
342S90.7Very high90.6Very high1 Ų128.5 Ų28.51%0.00714%0.14CC..Hα-helixtrans-58.7-39-179.5-60.60000112.5L120 K123 E338 A339 A346L120-S342 WeakPolarHBondContact CD2-O 3.26Å; K123-S342 WeakPolarHBondContact CB-OG 3.31Å; E338-S342 VanDerWaalsContact O-CB 3.29Å; E338-S342 WeakPolarHBondContact O-CB 3.38Å; E338-S342 PolarHBondContact O-N 3.3Å; E338-S342 PolarHBondContact O-OG 2.78Å; A339-S342 PolarHBondContact O-N 3.1Å; S342-A346 PolarHBondContact O-N 2.73Å
343L91.9Very high90.5Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-71.5-42.9177.1178.263.4000111.7L125 A136 I154 I326 L328 A339 E340 R341 D345 A346 L347L125-L343 HydrophobicContact CD1-CB 4.49Å; A136-L343 HydrophobicContact CB-CD1 3.93Å; I154-L343 HydrophobicContact CD1-CD2 4.09Å; I154-L343 HydrophobicContact CD1-CG 4.38Å; I154-L343 HydrophobicContact CG1-CD2 4.49Å; I326-L343 HydrophobicContact CB-CD2 4.2Å; I326-L343 HydrophobicContact CD1-CD1 4.34Å; I326-L343 HydrophobicContact CD1-CD2 3.76Å; I326-L343 HydrophobicContact CD1-CG 4.36Å; I326-L343 HydrophobicContact CG2-CD2 3.63Å; L328-L343 HydrophobicContact CD1-CD2 4.47Å; L328-L343 HydrophobicContact CD2-CD2 4.07Å; A339-L343 VanDerWaalsContact O-CB 3.23Å; A339-L343 WeakPolarHBondContact O-CB 3.18Å; A339-L343 PolarHBondContact O-N 2.96Å; E340-L343 PolarHBondContact O-N 2.78Å; R341-L343 PolarHBondContact O-N 2.94Å; L343-D345 VanDerWaalsContact C-N 3.32Å; L343-D345 PolarHBondContact O-N 3.02Å; L343-A346 PolarHBondContact O-N 3Å; L343-L347 HydrophobicContact CD1-CG 4.32Å; L343-L347 HydrophobicContact CG-CD1 4.14Å; L343-L347 HydrophobicContact CG-CG 4.37Å; L343-L347 VanDerWaalsContact O-CG 3.3Å; L343-L347 WeakPolarHBondContact O-CG 3.5Å; L343-L347 PolarHBondContact O-N 3.21Å
344H90.1Very high90.5Very high87 Ų8724.5 Ų24.540%0.40312%0.12SC..Hα-helixtrans-55-48.4176177.6-89.9000111.1E340 R341 A346 L347 C348E340-H344 WeakPolarHBondContact O-CB 3.39Å; E340-H344 PolarHBondContact O-N 3.47Å; R341-H344 WeakPolarHBondContact O-CB 3.07Å; R341-H344 PolarHBondContact O-N 3.48Å; R341-H344 VanDerWaalsContact O-N 3.14Å; H344-A346 VanDerWaalsContact C-N 3.32Å; H344-A346 PolarHBondContact O-N 2.91Å; H344-L347 WeakPolarHBondContact O-CB 3.23Å; H344-L347 PolarHBondContact O-N 3.46Å; H344-L347 VanDerWaalsContact O-N 3.09Å; H344-C348 PolarHBondContact CE1-SG 3.44Å; H344-C348 PolarHBondContact O-N 3.21Å; H344-C348 PolarHBondContact O-SG 3.3Å; H344-C348 VanDerWaalsContact O-SG 3.38Å
345D90.2Very high90.5Very high4 Ų426.8 Ų26.82%0.02113%0.129CC..Hα-helixtrans-59.8-42.9178.1-59.1-8.3000111.7G49 T119 K123 R341 L343 L347 C348 V349G49-D345 VanDerWaalsContact O-CB 3.3Å; G49-D345 WeakPolarHBondContact O-CB 3.4Å; T119-D345 HydrophobicContact CG2-CB 4.5Å; K123-D345 VanDerWaalsContact NZ-CG 3.28Å; K123-D345 IonicContact NZ-OD2 3.93Å; K123-D345 PolarHBondContact NZ-OD2 3.14Å; R341-D345 VanDerWaalsContact O-CG 3.24Å; R341-D345 PolarHBondContact O-N 2.98Å; L343-D345 VanDerWaalsContact C-N 3.32Å; L343-D345 PolarHBondContact O-N 3.02Å; D345-L347 PolarHBondContact O-N 3.16Å; D345-C348 PolarHBondContact O-N 3.37Å; D345-V349 WeakPolarHBondContact O-CG2 3.41Å; D345-V349 PolarHBondContact O-N 3.21Å
346A92Very high90.5Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-62.9-41.7175.600000111.7T119 L120 S342 L343 H344 V349 L350T119-A346 HydrophobicContact CG2-CB 4.3Å; L120-A346 HydrophobicContact CD2-CB 3.95Å; L120-A346 HydrophobicContact CG-CB 4.08Å; S342-A346 PolarHBondContact O-N 2.73Å; L343-A346 PolarHBondContact O-N 3Å; H344-A346 VanDerWaalsContact C-N 3.32Å; H344-A346 PolarHBondContact O-N 2.91Å; A346-V349 PolarHBondContact O-N 3.07Å; A346-L350 WeakPolarHBondContact O-CB 3.35Å; A346-L350 WeakPolarHBondContact O-CG 3.29Å; A346-L350 PolarHBondContact O-N 3.24Å
347L92.8Very high90.5Very high5 Ų526.3 Ų26.33%0.02613%0.129CC..Hα-helixtrans-64.2-41.6176.1-67.5172.9000111.7A136 A139 V140 L149 I152 I154 I326 L343 H344 D345 L350 A351A136-L347 HydrophobicContact CB-CD2 4.11Å; A139-L347 HydrophobicContact CB-CD2 4.19Å; V140-L347 HydrophobicContact CG2-CD2 3.61Å; L149-L347 HydrophobicContact CD2-CB 3.99Å; I152-L347 HydrophobicContact CD1-CD1 4.37Å; I152-L347 HydrophobicContact CD1-CD2 3.89Å; I152-L347 HydrophobicContact CG2-CD1 4Å; I154-L347 HydrophobicContact CD1-CD1 4.1Å; I326-L347 HydrophobicContact CD1-CD1 4.2Å; L343-L347 HydrophobicContact CD1-CG 4.32Å; L343-L347 HydrophobicContact CG-CD1 4.14Å; L343-L347 HydrophobicContact CG-CG 4.37Å; L343-L347 VanDerWaalsContact O-CG 3.3Å; L343-L347 WeakPolarHBondContact O-CG 3.5Å; L343-L347 PolarHBondContact O-N 3.21Å; H344-L347 WeakPolarHBondContact O-CB 3.23Å; H344-L347 PolarHBondContact O-N 3.46Å; H344-L347 VanDerWaalsContact O-N 3.09Å; D345-L347 PolarHBondContact O-N 3.16Å; L347-L350 PolarHBondContact O-N 3.25Å; L347-A351 VanDerWaalsContact O-CB 3.27Å; L347-A351 WeakPolarHBondContact O-CB 3.48Å; L347-A351 PolarHBondContact O-N 3.26Å
348C91Very high90.7Very high14 Ų1427 Ų2710%0.09513%0.127CC..Hα-helixtrans-59.4-50.9175.3-72.80000111.9L149 H344 D345 L350 A351 Q352L149-C348 HydrophobicContact CD1-CB 4.39Å; L149-C348 VanDerWaalsContact CD1-SG 3.55Å; H344-C348 PolarHBondContact CE1-SG 3.44Å; H344-C348 PolarHBondContact O-N 3.21Å; H344-C348 PolarHBondContact O-SG 3.3Å; H344-C348 VanDerWaalsContact O-SG 3.38Å; D345-C348 PolarHBondContact O-N 3.37Å; C348-L350 VanDerWaalsContact C-N 3.34Å; C348-L350 PolarHBondContact O-N 2.81Å; C348-A351 PolarHBondContact O-N 3.39Å; C348-Q352 WeakPolarHBondContact O-CG 3.43Å; C348-Q352 PolarHBondContact O-N 3.12Å
349V92.3Very high91Very high1 Ų127 Ų271%0.00613%0.128CC..Hα-helixtrans-61.1-44.5178.8174.70000111.1D50 I115 T119 D345 A346 Q352 T353 V452D50-V349 HydrophobicContact CB-CG2 3.28Å; I115-V349 HydrophobicContact CG2-CG1 3.45Å; I115-V349 VanDerWaalsContact CG2-CG1 3.45Å; T119-V349 HydrophobicContact CG2-CG2 4.49Å; D345-V349 WeakPolarHBondContact O-CG2 3.41Å; D345-V349 PolarHBondContact O-N 3.21Å; A346-V349 PolarHBondContact O-N 3.07Å; V349-Q352 PolarHBondContact O-N 3.21Å; V349-T353 WeakPolarHBondContact O-CB 3.16Å; V349-T353 PolarHBondContact O-N 3.18Å; V349-T353 PolarHBondContact O-OG1 3.17Å; V349-V452 HydrophobicContact CG1-CG2 4.09Å; V349-V452 HydrophobicContact CG2-CG2 4.03Å
350L92.7Very high91.1Very high0 Ų027.2 Ų27.20%013%0.129CC..Hα-helixtrans-64.2-44.3178-72.9176.3000111.8L112 A116 A136 V137 V140 A346 L347 C348 Q352 T353 V354L112-L350 HydrophobicContact CB-CD2 3.84Å; L112-L350 HydrophobicContact CD2-CD2 3.62Å; L112-L350 HydrophobicContact CG-CD2 4.29Å; L112-L350 WeakPolarHBondContact O-CD2 3.25Å; A116-L350 HydrophobicContact CB-CD1 3.96Å; A116-L350 HydrophobicContact CB-CD2 4.04Å; A116-L350 HydrophobicContact CB-CG 4.19Å; A136-L350 HydrophobicContact CB-CD1 3.8Å; V137-L350 HydrophobicContact CG2-CD1 4.08Å; V137-L350 HydrophobicContact CG2-CD2 4.32Å; V140-L350 HydrophobicContact CB-CB 4.23Å; V140-L350 HydrophobicContact CB-CD1 4.47Å; V140-L350 HydrophobicContact CG1-CB 4.07Å; V140-L350 HydrophobicContact CG2-CB 3.8Å; V140-L350 HydrophobicContact CG2-CD1 4.04Å; A346-L350 WeakPolarHBondContact O-CB 3.35Å; A346-L350 WeakPolarHBondContact O-CG 3.29Å; A346-L350 PolarHBondContact O-N 3.24Å; L347-L350 PolarHBondContact O-N 3.25Å; C348-L350 VanDerWaalsContact C-N 3.34Å; C348-L350 PolarHBondContact O-N 2.81Å; L350-Q352 VanDerWaalsContact C-N 3.3Å; L350-Q352 PolarHBondContact O-N 3.11Å; L350-T353 CarbonylContact O-C 3.45Å; L350-T353 PolarHBondContact O-N 2.89Å; L350-T353 VanDerWaalsContact O-N 3.11Å; L350-V354 WeakPolarHBondContact O-CG2 3.34Å; L350-V354 PolarHBondContact O-N 3.32Å
351A90.5Very high91.3Very high4 Ų427.1 Ų27.13%0.03313%0.127CC..Hα-helixtrans-62.3-37.2178.100000112.2L149 L347 C348 V354 K355L149-A351 HydrophobicContact CD1-CB 4.39Å; L149-A351 HydrophobicContact CD2-CB 3.71Å; L149-A351 HydrophobicContact CG-CB 4.09Å; L347-A351 VanDerWaalsContact O-CB 3.27Å; L347-A351 WeakPolarHBondContact O-CB 3.48Å; L347-A351 PolarHBondContact O-N 3.26Å; C348-A351 PolarHBondContact O-N 3.39Å; A351-V354 PolarHBondContact O-N 2.84Å; A351-K355 PolarHBondContact O-N 3.38Å
352Q88.3Confident91.6Very high52 Ų5224.8 Ų24.824%0.24312%0.118CC..Hα-helixtrans-70.5-36.4172.6-65.7-62.4-2.600112.3E47 V48 C348 V349 L350 V354 K355 D356E47-Q352 PolarHBondContact O-NE2 2.95Å; V48-Q352 HydrophobicContact CG1-CG 4.34Å; C348-Q352 WeakPolarHBondContact O-CG 3.43Å; C348-Q352 PolarHBondContact O-N 3.12Å; V349-Q352 PolarHBondContact O-N 3.21Å; L350-Q352 VanDerWaalsContact C-N 3.3Å; L350-Q352 PolarHBondContact O-N 3.11Å; Q352-V354 VanDerWaalsContact C-N 3.29Å; Q352-V354 PolarHBondContact O-N 3.37Å; Q352-K355 WeakPolarHBondContact O-CB 3.19Å; Q352-K355 PolarHBondContact O-N 3.02Å; Q352-K355 VanDerWaalsContact O-N 3.12Å; Q352-D356 PolarHBondContact O-N 3.25Å
353T90Very high91.6Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-68.4-28.1175.8-540000112.1F108 L112 I115 V349 L350 K355 D356 S357 S449F108-T353 HydrophobicContact CE2-CG2 4.41Å; L112-T353 HydrophobicContact CD2-CG2 3.88Å; I115-T353 HydrophobicContact CD1-CG2 3.66Å; V349-T353 WeakPolarHBondContact O-CB 3.16Å; V349-T353 PolarHBondContact O-N 3.18Å; V349-T353 PolarHBondContact O-OG1 3.17Å; L350-T353 CarbonylContact O-C 3.45Å; L350-T353 PolarHBondContact O-N 2.89Å; L350-T353 VanDerWaalsContact O-N 3.11Å; T353-K355 VanDerWaalsContact C-N 3.34Å; T353-D356 CarbonylContact C-O 3.02Å; T353-D356 WeakPolarHBondContact CA-O 3.42Å; T353-D356 CarbonylContact O-C 3.59Å; T353-D356 PolarHBondContact O-N 3.27Å; T353-S357 VanDerWaalsContact O-CA 3.26Å; T353-S357 WeakPolarHBondContact O-CA 3.49Å; T353-S357 PolarHBondContact O-N 2.93Å; T353-S449 WeakPolarHBondContact OG1-CB 3.45Å; T353-S449 PolarHBondContact OG1-OG 3.23Å
354V88.7Confident91.7Very high42 Ų4225.6 Ų25.626%0.25513%0.126SC..Hα-helixtrans-69.2-32.9170.51730000112F108 L112 V140 L350 A351 Q352F108-V354 HydrophobicContact CE1-CG2 4.32Å; F108-V354 HydrophobicContact CZ-CG2 4.2Å; L112-V354 HydrophobicContact CD1-CG2 4.48Å; L112-V354 HydrophobicContact CD2-CG2 4.37Å; V140-V354 HydrophobicContact CG1-CG2 3.7Å; L350-V354 WeakPolarHBondContact O-CG2 3.34Å; L350-V354 PolarHBondContact O-N 3.32Å; A351-V354 PolarHBondContact O-N 2.84Å; Q352-V354 VanDerWaalsContact C-N 3.29Å; Q352-V354 PolarHBondContact O-N 3.37Å
355K87.2Confident91.9Very high128 Ų12821.5 Ų21.556%0.55711%0.108SC*.Hα-helixtrans-75.3-34.1173.7-66.5175.3-175.2169.40112.3A351 Q352 T353A351-K355 PolarHBondContact O-N 3.38Å; Q352-K355 WeakPolarHBondContact O-CB 3.19Å; Q352-K355 PolarHBondContact O-N 3.02Å; Q352-K355 VanDerWaalsContact O-N 3.12Å; T353-K355 VanDerWaalsContact C-N 3.34Å
356D89.7Confident92.2Very high20 Ų2021.5 Ų21.511%0.10711%0.107CC..  trans-135.198177.3-173.7-1000110.3Q352 T353 R358 Q451Q352-D356 PolarHBondContact O-N 3.25Å; T353-D356 CarbonylContact C-O 3.02Å; T353-D356 WeakPolarHBondContact CA-O 3.42Å; T353-D356 CarbonylContact O-C 3.59Å; T353-D356 PolarHBondContact O-N 3.27Å; D356-R358 PolarHBondContact O-N 3.39Å; D356-R358 WeakPolarHBondContact OD1-CB 3.12Å; D356-R358 WeakPolarHBondContact OD1-CG 3.42Å; D356-R358 IonicContact OD1-CZ 3.5Å; D356-R358 PolarHBondContact OD1-N 3.34Å; D356-R358 IonicContact OD1-NE 2.76Å; D356-R358 PolarHBondContact OD1-NE 2.93Å; D356-R358 IonicContact OD1-NH2 3.44Å; D356-R358 PolarHBondContact OD1-NH2 3.34Å; D356-R358 IonicContact OD2-CZ 3.38Å; D356-R358 IonicContact OD2-NE 3.3Å; D356-R358 PolarHBondContact OD2-NE 2.96Å; D356-R358 IonicContact OD2-NH2 2.68Å; D356-R358 PolarHBondContact OD2-NH2 2.94Å; D356-Q451 HydrophobicContact CB-CG 3.75Å; D356-Q451 WeakPolarHBondContact OD2-CG 3.46Å; D356-Q451 PolarHBondContact OD2-NE2 3.41Å
357S91.7Very high92.4Very high22 Ų2221.9 Ų21.915%0.15411%0.109CC..  trans-71.73.4-172.846.10000114.8D100 T353D100-S357 VanDerWaalsContact OD1-CB 3.27Å; D100-S357 WeakPolarHBondContact OD1-CB 3.49Å; D100-S357 PolarHBondContact OD1-OG 3.49Å; T353-S357 VanDerWaalsContact O-CA 3.26Å; T353-S357 WeakPolarHBondContact O-CA 3.49Å; T353-S357 PolarHBondContact O-N 2.93Å
358R94Very high92.6Very high72 Ų7221.8 Ų21.827%0.27211%0.109SC..EExtended strand (participates in β ladder)trans-72131.4178.2-71.4178.7-66.1-173.3-2.2111.7L95 A98 V99 D100 D356 F450L95-R358 VanDerWaalsContact CD1-NH1 3.26Å; A98-R358 HydrophobicContact CB-CB 4.23Å; V99-R358 CarbonylContact O-C 3.54Å; V99-R358 WeakPolarHBondContact O-CA 3.42Å; D100-R358 HydrophobicContact CB-CG 4.02Å; D356-R358 PolarHBondContact O-N 3.39Å; D356-R358 WeakPolarHBondContact OD1-CB 3.12Å; D356-R358 WeakPolarHBondContact OD1-CG 3.42Å; D356-R358 IonicContact OD1-CZ 3.5Å; D356-R358 PolarHBondContact OD1-N 3.34Å; D356-R358 IonicContact OD1-NE 2.76Å; D356-R358 PolarHBondContact OD1-NE 2.93Å; D356-R358 IonicContact OD1-NH2 3.44Å; D356-R358 PolarHBondContact OD1-NH2 3.34Å; D356-R358 IonicContact OD2-CZ 3.38Å; D356-R358 IonicContact OD2-NE 3.3Å; D356-R358 PolarHBondContact OD2-NE 2.96Å; D356-R358 IonicContact OD2-NH2 2.68Å; D356-R358 PolarHBondContact OD2-NH2 2.94Å; R358-F450 HydrophobicContact CB-CB 3.7Å; R358-F450 HydrophobicContact CB-CD1 4.15Å; R358-F450 HydrophobicContact CB-CG 4.07Å; R358-F450 WeakPolarHBondContact O-CB 3.34Å; R358-F450 PolarHBondContact O-N 3.09Å; R358-F450 VanDerWaalsContact O-N 3.07Å
359T94.7Very high92.8Very high7 Ų722 Ų224%0.04311%0.109CC..EExtended strand (participates in β ladder)trans-118.9156.1178.768.50000111.2A98 V99 D111 I115A98-T359 WeakPolarHBondContact CA-O 3.2Å; V99-T359 PolarHBondContact N-O 3.14Å; V99-T359 PolarHBondContact O-N 3.48Å; V99-T359 PolarHBondContact O-OG1 3.4Å; D111-T359 HydrophobicContact CB-CG2 4.04Å; I115-T359 HydrophobicContact CD1-CG2 3.72Å
360V95.4Very high93Very high4 Ų422.2 Ų22.22%0.02411%0.11CC..EExtended strand (participates in β ladder)trans-137.9162.3176.2-67.50000110L94 A98 T447 E448 F450 K453L94-V360 HydrophobicContact CD1-CB 4.39Å; L94-V360 HydrophobicContact CD1-CG1 3.94Å; L94-V360 HydrophobicContact CD1-CG2 4.46Å; L94-V360 HydrophobicContact CG-CG1 4.47Å; A98-V360 HydrophobicContact CB-CG1 4.11Å; V360-T447 CarbonylContact O-C 3.52Å; V360-T447 WeakPolarHBondContact O-CA 3.21Å; V360-E448 HydrophobicContact CG2-CB 4.45Å; V360-E448 PolarHBondContact N-O 2.75Å; V360-E448 PolarHBondContact O-N 3.06Å; V360-F450 HydrophobicContact CG1-CB 4.19Å; V360-F450 HydrophobicContact CG1-CD2 3.96Å; V360-K453 HydrophobicContact CG2-CB 4.18Å; V360-K453 HydrophobicContact CG2-CG 3.7Å
361Y95.3Very high93.2Very high57 Ų5722.3 Ų22.322%0.22411%0.111CC..EExtended strand (participates in β ladder)trans-81.1135.9179.4-63.1-56.5000112.2S366 T428 M441 A442 T447Y361-S366 PolarHBondContact O-N 3.1Å; Y361-S366 PolarHBondContact O-OG 2.74Å; Y361-T428 HydrophobicContact CD2-CG2 4.27Å; Y361-T428 HydrophobicContact CE2-CG2 3.69Å; Y361-M441 HydrophobicContact CD1-CB 3.86Å; Y361-M441 HydrophobicContact CG-CB 3.98Å; Y361-A442 HydrophobicContact CE1-CB 3.65Å; Y361-T447 HydrophobicContact CD1-CG2 4.33Å; Y361-T447 HydrophobicContact CE1-CG2 4.41Å
362G93.8Very high93.5Very high0 Ų024.7 Ų24.70%012%0.121CC..THydrogen-bonded Turntrans-87.4-153177.200000113.7G364 C365 I446 E448G362-G364 VanDerWaalsContact C-N 3.27Å; G362-G364 PolarHBondContact O-N 2.79Å; G362-C365 WeakPolarHBondContact O-CB 3.48Å; G362-C365 PolarHBondContact O-N 2.8Å; G362-I446 PolarHBondContact N-O 3.18Å; G362-E448 WeakPolarHBondContact CA-OE2 3.38Å
363G91.6Very high93.9Very high17 Ų1723.5 Ų23.518%0.17512%0.12CC..THydrogen-bonded Turntrans63.227.2174.700000114.7C365 L431G363-C365 VanDerWaalsContact C-N 3.26Å; G363-C365 PolarHBondContact O-N 2.67Å; G363-L431 WeakPolarHBondContact O-CB 3.49Å; G363-L431 PolarHBondContact O-N 3.28Å
364G93.5Very high94.2Very high1 Ų123.5 Ų23.51%0.0112%0.12CC..THydrogen-bonded Turntrans80.70.1-176.500000114.8G362 E367 M368G362-G364 VanDerWaalsContact C-N 3.27Å; G362-G364 PolarHBondContact O-N 2.79Å; G364-E367 WeakPolarHBondContact CA-OE2 3.38Å; G364-M368 WeakPolarHBondContact O-CB 3.46Å; G364-M368 PolarHBondContact O-N 2.91Å
365C95.5Very high94.5Very high2 Ų223.3 Ų23.31%0.01412%0.119CC..Hα-helixtrans-64.2-51.3179.4178.60000111.4G362 G363 E367 M368 L369 H422 T427 A429 M441G362-C365 WeakPolarHBondContact O-CB 3.48Å; G362-C365 PolarHBondContact O-N 2.8Å; G363-C365 VanDerWaalsContact C-N 3.26Å; G363-C365 PolarHBondContact O-N 2.67Å; C365-E367 VanDerWaalsContact C-N 3.3Å; C365-E367 PolarHBondContact O-N 3.09Å; C365-M368 PolarHBondContact O-N 2.92Å; C365-L369 WeakPolarHBondContact O-CB 3.4Å; C365-L369 PolarHBondContact O-N 3.19Å; C365-H422 PolarHBondContact O-CE1 3.38Å; C365-H422 VanDerWaalsContact O-CE1 3.22Å; C365-T427 PolarHBondContact SG-O 3.07Å; C365-A429 WeakPolarHBondContact CB-O 3.11Å; C365-A429 PolarHBondContact SG-O 3.28Å; C365-M441 HydrophobicContact CB-CG 3.99Å
366S96.2Very high94.9Very high3 Ų320.7 Ų20.72%0.02111%0.109CC..Hα-helixtrans-58.2-42.2177.7-70.20000112.1Y361 L369 M370Y361-S366 PolarHBondContact O-N 3.1Å; Y361-S366 PolarHBondContact O-OG 2.74Å; S366-L369 PolarHBondContact O-N 2.66Å; S366-M370 WeakPolarHBondContact O-CB 3.42Å; S366-M370 VanDerWaalsContact O-CG 3.27Å; S366-M370 WeakPolarHBondContact O-CG 3.38Å; S366-M370 PolarHBondContact O-N 2.99Å
367E96.4Very high95.2Very high8 Ų822.1 Ų22.14%0.03712%0.116CC..Hα-helixtrans-65.4-42.1179.2-67.972.8-165.800112.1G364 C365 M370 A371 L399 K453G364-E367 WeakPolarHBondContact CA-OE2 3.38Å; C365-E367 VanDerWaalsContact C-N 3.3Å; C365-E367 PolarHBondContact O-N 3.09Å; E367-M370 HydrophobicContact CG-CE 4.39Å; E367-A371 VanDerWaalsContact O-CB 3.31Å; E367-A371 WeakPolarHBondContact O-CB 3.31Å; E367-A371 PolarHBondContact O-N 2.92Å; E367-L399 HydrophobicContact CG-CB 3.95Å; E367-L399 HydrophobicContact CG-CD1 3.52Å; E367-L399 HydrophobicContact CG-CG 4.38Å; E367-K453 WeakPolarHBondContact OE1-CE 3.41Å; E367-K453 IonicContact OE1-NZ 3.37Å; E367-K453 PolarHBondContact OE1-NZ 3.5Å; E367-K453 IonicContact OE2-NZ 2.75Å
368M96.2Very high95.4Very high3 Ų321.2 Ų21.22%0.01511%0.11CC..Hα-helixtrans-67.2-40.8176.1-170.661.467.600111.7G364 C365 A371 H372 R397 P400 V415 L418 R419 H422G364-M368 WeakPolarHBondContact O-CB 3.46Å; G364-M368 PolarHBondContact O-N 2.91Å; C365-M368 PolarHBondContact O-N 2.92Å; M368-A371 PolarHBondContact O-N 2.93Å; M368-H372 WeakPolarHBondContact O-CB 3.49Å; M368-H372 PolarHBondContact O-N 3.14Å; M368-R397 HydrophobicContact CE-CG 3.94Å; M368-R397 HydrophobicContact SD-CG 3.89Å; M368-P400 HydrophobicContact CE-CG 4.47Å; M368-V415 HydrophobicContact CE-CG1 3.91Å; M368-L418 HydrophobicContact CB-CD2 4.22Å; M368-L418 HydrophobicContact CB-CG 4.28Å; M368-L418 HydrophobicContact CE-CB 4.14Å; M368-L418 HydrophobicContact CE-CD2 3.84Å; M368-L418 HydrophobicContact CE-CG 3.9Å; M368-L418 HydrophobicContact CG-CD2 4.49Å; M368-L418 HydrophobicContact CG-CG 4.1Å; M368-R419 HydrophobicContact CE-CB 4.06Å; M368-R419 HydrophobicContact SD-CB 3.84Å; M368-R419 HydrophobicContact SD-CG 4.21Å; M368-H422 HydrophobicContact CG-CB 3.77Å; M368-H422 VanDerWaalsContact CG-CG 3.45Å
369L96.1Very high95.4Very high20 Ų2022.9 Ų22.911%0.10512%0.124CC..Hα-helixtrans-60.3-47.3176.2-177.5148.4000111A93 C365 S366 H372 A373 H422 T427A93-L369 HydrophobicContact CB-CD2 3.57Å; C365-L369 WeakPolarHBondContact O-CB 3.4Å; C365-L369 PolarHBondContact O-N 3.19Å; S366-L369 PolarHBondContact O-N 2.66Å; L369-H372 PolarHBondContact O-N 2.83Å; L369-A373 PolarHBondContact O-N 3.35Å; L369-A373 VanDerWaalsContact O-N 3.07Å; L369-H422 PolarHBondContact N-ND1 2.96Å; L369-T427 HydrophobicContact CD1-CG2 4.11Å
370M96.6Very high95.4Very high5 Ų532.2 Ų32.23%0.02516%0.159CC..Hα-helixtrans-61.5-44.4174.6-71.6-172.6-68.100111.6A90 L94 S366 E367 H372 A373 V374 L396 L457A90-M370 HydrophobicContact CB-CB 3.85Å; A90-M370 HydrophobicContact CB-CG 3.99Å; A90-M370 HydrophobicContact CB-SD 4.05Å; A90-M370 WeakPolarHBondContact O-CG 3.45Å; L94-M370 HydrophobicContact CB-CG 4.3Å; L94-M370 HydrophobicContact CB-SD 4.17Å; L94-M370 HydrophobicContact CD1-SD 4.47Å; L94-M370 HydrophobicContact CD2-SD 4.37Å; S366-M370 WeakPolarHBondContact O-CB 3.42Å; S366-M370 VanDerWaalsContact O-CG 3.27Å; S366-M370 WeakPolarHBondContact O-CG 3.38Å; S366-M370 PolarHBondContact O-N 2.99Å; E367-M370 HydrophobicContact CG-CE 4.39Å; M370-H372 VanDerWaalsContact C-N 3.32Å; M370-H372 PolarHBondContact O-N 2.77Å; M370-A373 PolarHBondContact O-N 3.09Å; M370-V374 WeakPolarHBondContact O-CG2 3.39Å; M370-V374 PolarHBondContact O-N 3.03Å; M370-L396 HydrophobicContact CB-CD1 3.8Å; M370-L396 HydrophobicContact CE-CD2 4.18Å; M370-L457 HydrophobicContact SD-CD1 4Å; M370-L457 HydrophobicContact SD-CD2 3.9Å; M370-L457 HydrophobicContact SD-CG 4.38Å
371A96.6Very high95.3Very high2 Ų233.5 Ų33.52%0.01717%0.167CC..Hα-helixtrans-62.9-37.9178.600000112.4E367 M368 T375 A393 L396 R397E367-A371 VanDerWaalsContact O-CB 3.31Å; E367-A371 WeakPolarHBondContact O-CB 3.31Å; E367-A371 PolarHBondContact O-N 2.92Å; M368-A371 PolarHBondContact O-N 2.93Å; A371-T375 WeakPolarHBondContact O-CB 3.46Å; A371-T375 PolarHBondContact O-N 3.49Å; A371-T375 PolarHBondContact O-OG1 2.85Å; A371-A393 HydrophobicContact CB-CB 4.43Å; A371-L396 HydrophobicContact CB-CB 3.93Å; A371-L396 HydrophobicContact CB-CD1 4.32Å; A371-R397 HydrophobicContact CB-CG 3.75Å
372H96Very high95.1Very high54 Ų5436.1 Ų36.125%0.2519%0.191CC..Hα-helixtrans-63.4-49.3175.3-173.885000110.8M368 L369 M370 V374 T375 Q376M368-H372 WeakPolarHBondContact O-CB 3.49Å; M368-H372 PolarHBondContact O-N 3.14Å; L369-H372 PolarHBondContact O-N 2.83Å; M370-H372 VanDerWaalsContact C-N 3.32Å; M370-H372 PolarHBondContact O-N 2.77Å; H372-V374 PolarHBondContact O-N 2.7Å; H372-T375 WeakPolarHBondContact O-CB 3.49Å; H372-T375 PolarHBondContact O-N 3.03Å; H372-T375 VanDerWaalsContact O-N 3.14Å; H372-Q376 PolarHBondContact CE1-NE2 3.32Å; H372-Q376 VanDerWaalsContact CE1-NE2 3.31Å; H372-Q376 PolarHBondContact NE2-NE2 3.24Å; H372-Q376 VanDerWaalsContact NE2-NE2 3.2Å; H372-Q376 WeakPolarHBondContact O-CG 3.18Å; H372-Q376 PolarHBondContact O-N 2.86Å
373A95.9Very high95Very high26 Ų2638.9 Ų38.922%0.21522%0.219CC..Hα-helixtrans-58.6-44.5178.100000112.5A93 L369 M370 T375 Q376 L377A93-A373 HydrophobicContact CB-CB 3.5Å; A93-A373 VanDerWaalsContact CB-CB 3.5Å; L369-A373 PolarHBondContact O-N 3.35Å; L369-A373 VanDerWaalsContact O-N 3.07Å; M370-A373 PolarHBondContact O-N 3.09Å; A373-T375 VanDerWaalsContact C-N 3.34Å; A373-T375 PolarHBondContact O-N 2.81Å; A373-Q376 PolarHBondContact O-N 2.78Å; A373-L377 PolarHBondContact O-N 2.91Å
374V96.9Very high95Very high0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-63.7-40.1176174.70000111.5A86 A89 A90 M370 H372 Q376 L377 A378 M389 Y392 A393 L396A86-V374 HydrophobicContact CB-CG1 3.63Å; A86-V374 HydrophobicContact CB-CG2 4.1Å; A86-V374 VanDerWaalsContact O-CG2 3.3Å; A86-V374 WeakPolarHBondContact O-CG2 3.41Å; A89-V374 HydrophobicContact CB-CG2 4.48Å; A90-V374 HydrophobicContact CB-CG2 3.95Å; M370-V374 WeakPolarHBondContact O-CG2 3.39Å; M370-V374 PolarHBondContact O-N 3.03Å; H372-V374 PolarHBondContact O-N 2.7Å; V374-Q376 PolarHBondContact O-N 3.4Å; V374-L377 PolarHBondContact O-N 3.45Å; V374-A378 WeakPolarHBondContact O-CB 3.45Å; V374-A378 PolarHBondContact O-N 3.11Å; V374-M389 HydrophobicContact CG1-CB 4.16Å; V374-M389 VanDerWaalsContact CG1-O 3.22Å; V374-M389 WeakPolarHBondContact CG1-O 3.24Å; V374-Y392 HydrophobicContact CG1-CD1 4.37Å; V374-Y392 HydrophobicContact CG2-CD1 4.27Å; V374-A393 HydrophobicContact CB-CB 4.14Å; V374-A393 HydrophobicContact CG1-CB 3.92Å; V374-L396 HydrophobicContact CG2-CD1 4.43Å
375T96Very high95Very high39 Ų3947.7 Ų47.724%0.23925%0.253CS..Hα-helixtrans-63.9-40.8177.4-57.10000111.4A371 H372 A373 L377 A378 N379 A393A371-T375 WeakPolarHBondContact O-CB 3.46Å; A371-T375 PolarHBondContact O-N 3.49Å; A371-T375 PolarHBondContact O-OG1 2.85Å; H372-T375 WeakPolarHBondContact O-CB 3.49Å; H372-T375 PolarHBondContact O-N 3.03Å; H372-T375 VanDerWaalsContact O-N 3.14Å; A373-T375 VanDerWaalsContact C-N 3.34Å; A373-T375 PolarHBondContact O-N 2.81Å; T375-L377 VanDerWaalsContact C-N 3.33Å; T375-L377 PolarHBondContact O-N 3.11Å; T375-A378 WeakPolarHBondContact O-CB 3.48Å; T375-A378 PolarHBondContact O-N 3.43Å; T375-N379 VanDerWaalsContact O-CG 3.27Å; T375-N379 PolarHBondContact O-N 3.47Å; T375-N379 PolarHBondContact O-ND2 3.34Å; T375-A393 WeakPolarHBondContact OG1-CB 3.29Å
376Q95.3Very high95Very high73 Ų7348.1 Ų48.134%0.34126%0.257SS..Hα-helixtrans-64.4-37.8175.5-65.3-59.6-1700112.4H372 A373 V374 R380H372-Q376 PolarHBondContact CE1-NE2 3.32Å; H372-Q376 VanDerWaalsContact CE1-NE2 3.31Å; H372-Q376 PolarHBondContact NE2-NE2 3.24Å; H372-Q376 VanDerWaalsContact NE2-NE2 3.2Å; H372-Q376 WeakPolarHBondContact O-CG 3.18Å; H372-Q376 PolarHBondContact O-N 2.86Å; A373-Q376 PolarHBondContact O-N 2.78Å; V374-Q376 PolarHBondContact O-N 3.4Å; Q376-R380 WeakPolarHBondContact O-CG 3.37Å
377L95.5Very high94.9Very high50 Ų5050.3 Ų50.326%0.26227%0.27SS..Hα-helixtrans-67-42.7173.9-17862.3000111.5E85 A89 A373 V374 T375 N379 R380 T381 M389E85-L377 HydrophobicContact CB-CD2 4.44Å; A89-L377 HydrophobicContact CB-CD2 3.69Å; A373-L377 PolarHBondContact O-N 2.91Å; V374-L377 PolarHBondContact O-N 3.45Å; T375-L377 VanDerWaalsContact C-N 3.33Å; T375-L377 PolarHBondContact O-N 3.11Å; L377-N379 VanDerWaalsContact C-N 3.33Å; L377-N379 PolarHBondContact O-N 3.01Å; L377-R380 PolarHBondContact O-N 2.93Å; L377-R380 VanDerWaalsContact O-N 3.1Å; L377-T381 PolarHBondContact O-N 2.82Å; L377-T381 PolarHBondContact O-OG1 3.12Å; L377-M389 HydrophobicContact CD2-CE 3.97Å; L377-M389 HydrophobicContact CD2-SD 4.25Å; L377-M389 HydrophobicContact CG-CE 4.16Å; L377-M389 HydrophobicContact CG-SD 4.01Å
378A95.9Very high94.9Very high2 Ų250 Ų502%0.01727%0.269CS..Hα-helixtrans-57.7-45.3177.600000111.5V374 T375 R380 T381 A386 M389 E390V374-A378 WeakPolarHBondContact O-CB 3.45Å; V374-A378 PolarHBondContact O-N 3.11Å; T375-A378 WeakPolarHBondContact O-CB 3.48Å; T375-A378 PolarHBondContact O-N 3.43Å; A378-R380 PolarHBondContact O-N 3.15Å; A378-R380 VanDerWaalsContact O-N 3.16Å; A378-T381 PolarHBondContact O-N 3.31Å; A378-T381 VanDerWaalsContact O-N 3.11Å; A378-A386 WeakPolarHBondContact O-CB 3.42Å; A378-M389 HydrophobicContact CB-CB 3.66Å; A378-M389 HydrophobicContact CB-SD 4.39Å; A378-E390 HydrophobicContact CB-CG 3.95Å
379N94.5Very high94.9Very high108 Ų10850 Ų5058%0.57827%0.269SS*.Hα-helixtrans-59.8-26.6178-70.9-23.5000113.8T375 L377T375-N379 VanDerWaalsContact O-CG 3.27Å; T375-N379 PolarHBondContact O-N 3.47Å; T375-N379 PolarHBondContact O-ND2 3.34Å; L377-N379 VanDerWaalsContact C-N 3.33Å; L377-N379 PolarHBondContact O-N 3.01Å
380R94.5Very high94.9Very high203 Ų20352.8 Ų52.877%0.76628%0.281SS*.Hα-helixtrans-94.3-16.2-179.6-64.7175.1-175.3-179.12.6113Q376 L377 A378Q376-R380 WeakPolarHBondContact O-CG 3.37Å; L377-R380 PolarHBondContact O-N 2.93Å; L377-R380 VanDerWaalsContact O-N 3.1Å; A378-R380 PolarHBondContact O-N 3.15Å; A378-R380 VanDerWaalsContact O-N 3.16Å
381T93.8Very high94.9Very high31 Ų3152.7 Ų52.719%0.1928%0.281CS..SBendtrans-90.2128.4-175.1-57.40000109.5L377 A378 E385 A386 M389L377-T381 PolarHBondContact O-N 2.82Å; L377-T381 PolarHBondContact O-OG1 3.12Å; A378-T381 PolarHBondContact O-N 3.31Å; A378-T381 VanDerWaalsContact O-N 3.11Å; T381-E385 HydrophobicContact CG2-CB 4.3Å; T381-A386 VanDerWaalsContact O-CB 3.24Å; T381-A386 WeakPolarHBondContact O-CB 3.41Å; T381-M389 HydrophobicContact CG2-CE 4.01Å; T381-M389 HydrophobicContact CG2-SD 4.16Å
382P90.4Very high94.9Very high112 Ų11252.6 Ų52.673%0.72728%0.28SS*.  trans-82150.1175.731.3-33.2000112
383G91.5Very high94.9Very high58 Ų5850 Ų5060%0.59827%0.269SS*.SBendtrans90.3-162.7166.600000115.4E385 A386G383-E385 PolarHBondContact O-N 2.81Å; G383-A386 WeakPolarHBondContact O-CB 3.38Å; G383-A386 PolarHBondContact O-N 3.27Å
384K92.8Very high94.9Very high124 Ų12453 Ų5354%0.53928%0.276SS..Hα-helixtrans-68.5-23.4-173.6-67.7-178.2-177.5-178.60113.2T78 A386 V387 A388T78-K384 HydrophobicContact CG2-CB 3.72Å; K384-A386 VanDerWaalsContact C-N 3.29Å; K384-A386 PolarHBondContact O-N 3.49Å; K384-V387 PolarHBondContact O-N 2.99Å; K384-A388 PolarHBondContact O-N 3.27Å
385E93.4Very high94.9Very high78 Ų7853 Ų5336%0.36428%0.276SS..Hα-helixtrans-64.2-35.7177.1-66.6178.7172.700111.5T78 T381 G383 V387 A388 M389T78-E385 HydrophobicContact CG2-CG 3.99Å; T381-E385 HydrophobicContact CG2-CB 4.3Å; G383-E385 PolarHBondContact O-N 2.81Å; E385-V387 VanDerWaalsContact C-N 3.31Å; E385-V387 PolarHBondContact O-N 2.88Å; E385-A388 WeakPolarHBondContact O-CB 3.3Å; E385-A388 PolarHBondContact O-N 2.93Å; E385-A388 VanDerWaalsContact O-N 3.1Å; E385-M389 WeakPolarHBondContact O-CG 3.46Å; E385-M389 PolarHBondContact O-N 2.86Å
386A94.9Very high95Very high11 Ų1151.1 Ų51.19%0.09127%0.265CS..Hα-helixtrans-59.3-41.9174.900000112.2A378 T381 G383 K384 A388 M389 E390A378-A386 WeakPolarHBondContact O-CB 3.42Å; T381-A386 VanDerWaalsContact O-CB 3.24Å; T381-A386 WeakPolarHBondContact O-CB 3.41Å; G383-A386 WeakPolarHBondContact O-CB 3.38Å; G383-A386 PolarHBondContact O-N 3.27Å; K384-A386 VanDerWaalsContact C-N 3.29Å; K384-A386 PolarHBondContact O-N 3.49Å; A386-A388 VanDerWaalsContact C-N 3.28Å; A386-A388 PolarHBondContact O-N 3.11Å; A386-M389 WeakPolarHBondContact O-CB 3.46Å; A386-M389 PolarHBondContact O-N 3.1Å; A386-E390 WeakPolarHBondContact O-CG 3.46Å; A386-E390 PolarHBondContact O-N 3.19Å
387V94.7Very high95Very high50 Ų5050 Ų5030%0.30326%0.258SS..Hα-helixtrans-64.7-35.1177.5-171.20000111.1L69 I74 K384 E385 S391L69-V387 HydrophobicContact CD2-CG1 3.71Å; I74-V387 HydrophobicContact CD1-CB 4.45Å; I74-V387 HydrophobicContact CD1-CG1 4.2Å; K384-V387 PolarHBondContact O-N 2.99Å; E385-V387 VanDerWaalsContact C-N 3.31Å; E385-V387 PolarHBondContact O-N 2.88Å; V387-S391 PolarHBondContact O-N 2.71Å; V387-S391 VanDerWaalsContact O-N 3.14Å
388A95.3Very high95Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-70.2-38.817400000112.2L69 I79 W83 K384 E385 A386 S391 Y392L69-A388 HydrophobicContact CD1-CB 4.19Å; I79-A388 HydrophobicContact CG2-CB 4.35Å; W83-A388 PolarHBondContact NE1-O 2.82Å; W83-A388 VanDerWaalsContact NE1-O 3.16Å; K384-A388 PolarHBondContact O-N 3.27Å; E385-A388 WeakPolarHBondContact O-CB 3.3Å; E385-A388 PolarHBondContact O-N 2.93Å; E385-A388 VanDerWaalsContact O-N 3.1Å; A386-A388 VanDerWaalsContact C-N 3.28Å; A386-A388 PolarHBondContact O-N 3.11Å; A388-S391 PolarHBondContact O-N 2.89Å; A388-S391 PolarHBondContact O-OG 3.38Å; A388-Y392 PolarHBondContact O-N 2.85Å
389M96.6Very high95Very high4 Ų450.2 Ų50.22%0.0226%0.258CS..Hα-helixtrans-64.2-42173.3-66.4170.1174.300111.8G82 E85 A86 V374 L377 A378 T381 E385 A386 S391 Y392 A393G82-M389 WeakPolarHBondContact O-CG 3.29Å; E85-M389 HydrophobicContact CB-CE 3.43Å; E85-M389 VanDerWaalsContact CB-CE 3.43Å; E85-M389 HydrophobicContact CG-CE 4.25Å; A86-M389 HydrophobicContact CB-CG 4.25Å; V374-M389 HydrophobicContact CG1-CB 4.16Å; V374-M389 VanDerWaalsContact CG1-O 3.22Å; V374-M389 WeakPolarHBondContact CG1-O 3.24Å; L377-M389 HydrophobicContact CD2-CE 3.97Å; L377-M389 HydrophobicContact CD2-SD 4.25Å; L377-M389 HydrophobicContact CG-CE 4.16Å; L377-M389 HydrophobicContact CG-SD 4.01Å; A378-M389 HydrophobicContact CB-CB 3.66Å; A378-M389 HydrophobicContact CB-SD 4.39Å; T381-M389 HydrophobicContact CG2-CE 4.01Å; T381-M389 HydrophobicContact CG2-SD 4.16Å; E385-M389 WeakPolarHBondContact O-CG 3.46Å; E385-M389 PolarHBondContact O-N 2.86Å; A386-M389 WeakPolarHBondContact O-CB 3.46Å; A386-M389 PolarHBondContact O-N 3.1Å; M389-S391 VanDerWaalsContact C-N 3.28Å; M389-S391 PolarHBondContact O-N 3.44Å; M389-Y392 WeakPolarHBondContact O-CB 3.12Å; M389-Y392 PolarHBondContact O-N 3.28Å; M389-Y392 VanDerWaalsContact O-N 3.17Å; M389-A393 PolarHBondContact O-N 3.43Å
390E95.8Very high95.1Very high79 Ų7945 Ų4537%0.36923%0.23SC..Hα-helixtrans-59.3-39.8174.5-75.3179.4-171.200112A378 A386 Y392 A393 K394A378-E390 HydrophobicContact CB-CG 3.95Å; A386-E390 WeakPolarHBondContact O-CG 3.46Å; A386-E390 PolarHBondContact O-N 3.19Å; E390-Y392 VanDerWaalsContact C-N 3.35Å; E390-A393 PolarHBondContact O-N 3.36Å; E390-K394 WeakPolarHBondContact O-CG 3.21Å; E390-K394 PolarHBondContact O-N 3.18Å
391S96.2Very high95.2Very high3 Ų336.4 Ų36.42%0.02120%0.2CC..Hα-helixtrans-65.9-39.7176.7970000111.2L69 W83 V387 A388 M389 A393 K394 A395L69-S391 WeakPolarHBondContact CD1-OG 3.38Å; W83-S391 PolarHBondContact NE1-OG 3.36Å; W83-S391 VanDerWaalsContact NE1-OG 3.15Å; V387-S391 PolarHBondContact O-N 2.71Å; V387-S391 VanDerWaalsContact O-N 3.14Å; A388-S391 PolarHBondContact O-N 2.89Å; A388-S391 PolarHBondContact O-OG 3.38Å; M389-S391 VanDerWaalsContact C-N 3.28Å; M389-S391 PolarHBondContact O-N 3.44Å; S391-A393 PolarHBondContact O-N 2.83Å; S391-K394 WeakPolarHBondContact O-CB 3.4Å; S391-K394 PolarHBondContact O-N 2.78Å; S391-K394 VanDerWaalsContact O-N 3.16Å; S391-A395 PolarHBondContact O-N 2.71Å
392Y96.9Very high95.2Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-61.2-44.4174.3-164.3-83.5000111.6L62 W83 A86 T87 V374 A388 M389 E390 K394 A395 L396 L457 A461L62-Y392 HydrophobicContact CD1-CE2 3.98Å; L62-Y392 HydrophobicContact CD2-CD2 3.29Å; L62-Y392 HydrophobicContact CD2-CE2 3.55Å; L62-Y392 HydrophobicContact CD2-CG 3.94Å; L62-Y392 HydrophobicContact CG-CE2 4.44Å; W83-Y392 HydrophobicContact CB-CD2 4.01Å; W83-Y392 HydrophobicContact CB-CE2 4.43Å; W83-Y392 AromaticContact CD1-CD2 3.77Å; W83-Y392 HydrophobicContact CD2-CD2 4.21Å; W83-Y392 AromaticContact CG-CD2 3.75Å; W83-Y392 HydrophobicContact CG-CD2 3.75Å; A86-Y392 HydrophobicContact CB-CD1 3.69Å; A86-Y392 HydrophobicContact CB-CD2 4.17Å; A86-Y392 HydrophobicContact CB-CE1 4.28Å; A86-Y392 HydrophobicContact CB-CG 3.63Å; T87-Y392 WeakPolarHBondContact OG1-CE2 3.46Å; T87-Y392 PolarHBondContact OG1-OH 2.93Å; V374-Y392 HydrophobicContact CG1-CD1 4.37Å; V374-Y392 HydrophobicContact CG2-CD1 4.27Å; A388-Y392 PolarHBondContact O-N 2.85Å; M389-Y392 WeakPolarHBondContact O-CB 3.12Å; M389-Y392 PolarHBondContact O-N 3.28Å; M389-Y392 VanDerWaalsContact O-N 3.17Å; E390-Y392 VanDerWaalsContact C-N 3.35Å; Y392-K394 VanDerWaalsContact C-N 3.27Å; Y392-K394 PolarHBondContact O-N 3.4Å; Y392-A395 PolarHBondContact O-N 3.46Å; Y392-L396 HydrophobicContact CD1-CD1 3.86Å; Y392-L396 HydrophobicContact CD1-CG 4.19Å; Y392-L396 HydrophobicContact CE1-CD1 3.76Å; Y392-L396 HydrophobicContact CE1-CD2 4.48Å; Y392-L396 HydrophobicContact CE1-CG 4.04Å; Y392-L396 PolarHBondContact O-N 2.81Å; Y392-L457 HydrophobicContact CE1-CD1 4.23Å; Y392-L457 WeakPolarHBondContact OH-CD1 3.21Å; Y392-A461 HydrophobicContact CE2-CB 4.44Å
393A96.6Very high95.4Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-65-28.1175.700000113.2A371 V374 T375 M389 E390 S391 R397A371-A393 HydrophobicContact CB-CB 4.43Å; V374-A393 HydrophobicContact CB-CB 4.14Å; V374-A393 HydrophobicContact CG1-CB 3.92Å; T375-A393 WeakPolarHBondContact OG1-CB 3.29Å; M389-A393 PolarHBondContact O-N 3.43Å; E390-A393 PolarHBondContact O-N 3.36Å; S391-A393 PolarHBondContact O-N 2.83Å; A393-R397 WeakPolarHBondContact O-CG 3.34Å; A393-R397 PolarHBondContact O-N 2.88Å; A393-R397 PolarHBondContact O-NE 2.84Å
394K96.2Very high95.5Very high87 Ų8732.1 Ų32.138%0.37816%0.155SC..Hα-helixtrans-71.1-45.5171.7-71.9174.8-172.2174.50111.3E390 S391 Y392 L396 R397 M398E390-K394 WeakPolarHBondContact O-CG 3.21Å; E390-K394 PolarHBondContact O-N 3.18Å; S391-K394 WeakPolarHBondContact O-CB 3.4Å; S391-K394 PolarHBondContact O-N 2.78Å; S391-K394 VanDerWaalsContact O-N 3.16Å; Y392-K394 VanDerWaalsContact C-N 3.27Å; Y392-K394 PolarHBondContact O-N 3.4Å; K394-L396 VanDerWaalsContact C-N 3.31Å; K394-L396 PolarHBondContact O-N 3.06Å; K394-R397 WeakPolarHBondContact O-CB 3.23Å; K394-R397 PolarHBondContact O-N 3.15Å; K394-R397 VanDerWaalsContact O-N 3.07Å; K394-M398 PolarHBondContact O-N 2.77Å; K394-M398 VanDerWaalsContact O-N 3.11Å
395A97Very high95.6Very high0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-58.9-41.6177.200000112.1L58 E61 L62 E65 S391 Y392 R397 M398L58-A395 HydrophobicContact CD1-CB 4.44Å; E61-A395 HydrophobicContact CB-CB 4.14Å; L62-A395 HydrophobicContact CD2-CB 3.61Å; L62-A395 HydrophobicContact CG-CB 3.94Å; E65-A395 HydrophobicContact CG-CB 4.34Å; S391-A395 PolarHBondContact O-N 2.71Å; Y392-A395 PolarHBondContact O-N 3.46Å; A395-R397 VanDerWaalsContact C-N 3.33Å; A395-R397 PolarHBondContact O-N 2.82Å; A395-M398 WeakPolarHBondContact O-CB 3.41Å; A395-M398 PolarHBondContact O-N 3.04Å; A395-M398 VanDerWaalsContact O-N 3.17Å
396L96.6Very high95.6Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-60.1-41.2173.5-76.4172.7000112.7L58 M370 A371 V374 Y392 K394 M398 L399 P400 L457L58-L396 HydrophobicContact CD1-CD2 4.05Å; L58-L396 HydrophobicContact CD2-CD2 4.15Å; M370-L396 HydrophobicContact CB-CD1 3.8Å; M370-L396 HydrophobicContact CE-CD2 4.18Å; A371-L396 HydrophobicContact CB-CB 3.93Å; A371-L396 HydrophobicContact CB-CD1 4.32Å; V374-L396 HydrophobicContact CG2-CD1 4.43Å; Y392-L396 HydrophobicContact CD1-CD1 3.86Å; Y392-L396 HydrophobicContact CD1-CG 4.19Å; Y392-L396 HydrophobicContact CE1-CD1 3.76Å; Y392-L396 HydrophobicContact CE1-CD2 4.48Å; Y392-L396 HydrophobicContact CE1-CG 4.04Å; Y392-L396 PolarHBondContact O-N 2.81Å; K394-L396 VanDerWaalsContact C-N 3.31Å; K394-L396 PolarHBondContact O-N 3.06Å; L396-M398 PolarHBondContact O-N 3.06Å; L396-L399 PolarHBondContact O-N 3.36Å; L396-P400 WeakPolarHBondContact O-CD 3.38Å; L396-L457 HydrophobicContact CD2-CD1 4.2Å
397R96Very high95.4Very high51 Ų5134.7 Ų34.719%0.19218%0.182CC..Hα-helixtrans-68.8-19.8177.7-77.6178.6-81.7141.7-13.3113.6M368 A371 A393 K394 A395 L399 P400 T401M368-R397 HydrophobicContact CE-CG 3.94Å; M368-R397 HydrophobicContact SD-CG 3.89Å; A371-R397 HydrophobicContact CB-CG 3.75Å; A393-R397 WeakPolarHBondContact O-CG 3.34Å; A393-R397 PolarHBondContact O-N 2.88Å; A393-R397 PolarHBondContact O-NE 2.84Å; K394-R397 WeakPolarHBondContact O-CB 3.23Å; K394-R397 PolarHBondContact O-N 3.15Å; K394-R397 VanDerWaalsContact O-N 3.07Å; A395-R397 VanDerWaalsContact C-N 3.33Å; A395-R397 PolarHBondContact O-N 2.82Å; R397-L399 VanDerWaalsContact C-N 3.25Å; R397-L399 PolarHBondContact O-N 2.81Å; R397-P400 VanDerWaalsContact O-CD 3.25Å; R397-P400 WeakPolarHBondContact O-CD 3.37Å; R397-P400 VanDerWaalsContact O-CG 3.26Å; R397-P400 WeakPolarHBondContact O-CG 3.49Å; R397-T401 PolarHBondContact O-N 3.48Å; R397-T401 PolarHBondContact O-OG1 2.97Å
398M96.3Very high95.3Very high40 Ų4035.5 Ų35.520%0.19720%0.201CC..Hα-helixtrans-68.9-24.4176.1-72.1-59.2-46.100112.8E61 K394 A395 L396 T401 I402E61-M398 HydrophobicContact CB-CB 4.42Å; E61-M398 HydrophobicContact CG-CB 3.86Å; E61-M398 HydrophobicContact CG-CG 4.44Å; E61-M398 WeakPolarHBondContact OE2-CG 3.46Å; K394-M398 PolarHBondContact O-N 2.77Å; K394-M398 VanDerWaalsContact O-N 3.11Å; A395-M398 WeakPolarHBondContact O-CB 3.41Å; A395-M398 PolarHBondContact O-N 3.04Å; A395-M398 VanDerWaalsContact O-N 3.17Å; L396-M398 PolarHBondContact O-N 3.06Å; M398-T401 HydrophobicContact CE-CG2 3.94Å; M398-T401 WeakPolarHBondContact O-CB 3.45Å; M398-T401 PolarHBondContact O-N 3.12Å; M398-T401 HydrophobicContact SD-CG2 4.48Å; M398-I402 HydrophobicContact CB-CD1 4.49Å; M398-I402 HydrophobicContact CE-CG1 4.38Å; M398-I402 WeakPolarHBondContact O-CB 3.46Å; M398-I402 WeakPolarHBondContact O-CD1 3.34Å; M398-I402 WeakPolarHBondContact O-CG1 3.32Å; M398-I402 PolarHBondContact O-N 3.19Å
399L95.7Very high95.2Very high15 Ų1539.6 Ų39.68%0.07922%0.217CC..Hα-helixtrans-61.3-55.4176.1-68.1176.8000112.5V57 L58 E367 L396 R397 T401 I402 I403V57-L399 HydrophobicContact CB-CD2 4.19Å; V57-L399 HydrophobicContact CG1-CD2 3.73Å; L58-L399 HydrophobicContact CB-CD1 4.25Å; L58-L399 HydrophobicContact CB-CD2 4.36Å; L58-L399 HydrophobicContact CD1-CD1 4.2Å; L58-L399 HydrophobicContact CD2-CD1 4.31Å; L58-L399 HydrophobicContact CG-CD1 4.49Å; E367-L399 HydrophobicContact CG-CB 3.95Å; E367-L399 HydrophobicContact CG-CD1 3.52Å; E367-L399 HydrophobicContact CG-CG 4.38Å; L396-L399 PolarHBondContact O-N 3.36Å; R397-L399 VanDerWaalsContact C-N 3.25Å; R397-L399 PolarHBondContact O-N 2.81Å; L399-T401 VanDerWaalsContact C-N 3.27Å; L399-T401 PolarHBondContact O-N 3.37Å; L399-I402 PolarHBondContact O-N 2.67Å; L399-I403 WeakPolarHBondContact O-CG1 3.49Å; L399-I403 PolarHBondContact O-N 3.07Å
400P95.8Very high95.1Very high0 Ų044.3 Ų44.30%024%0.242CC..Hα-helixtrans-61.3-33.9172.817.6-26.7000113.1M368 L396 R397 I402 I403 A404 V415 L418 L431M368-P400 HydrophobicContact CE-CG 4.47Å; L396-P400 WeakPolarHBondContact O-CD 3.38Å; R397-P400 VanDerWaalsContact O-CD 3.25Å; R397-P400 WeakPolarHBondContact O-CD 3.37Å; R397-P400 VanDerWaalsContact O-CG 3.26Å; R397-P400 WeakPolarHBondContact O-CG 3.49Å; P400-I402 PolarHBondContact O-N 3.42Å; P400-I403 PolarHBondContact O-N 3.01Å; P400-A404 PolarHBondContact O-N 2.78Å; P400-V415 HydrophobicContact CB-CG2 4.25Å; P400-L418 HydrophobicContact CB-CD2 4.23Å; P400-L431 HydrophobicContact CB-CD1 3.65Å; P400-L431 HydrophobicContact CB-CG 4.45Å; P400-L431 VanDerWaalsContact O-CD1 3.3Å; P400-L431 WeakPolarHBondContact O-CD1 3.49Å
401T96.1Very high95Very high22 Ų2241.3 Ų41.314%0.13523%0.23CC..Hα-helixtrans-57.7-49.2173.6-52.90000111.4R397 M398 L399 I403 A404 D405 S411R397-T401 PolarHBondContact O-N 3.48Å; R397-T401 PolarHBondContact O-OG1 2.97Å; M398-T401 HydrophobicContact CE-CG2 3.94Å; M398-T401 WeakPolarHBondContact O-CB 3.45Å; M398-T401 PolarHBondContact O-N 3.12Å; M398-T401 HydrophobicContact SD-CG2 4.48Å; L399-T401 VanDerWaalsContact C-N 3.27Å; L399-T401 PolarHBondContact O-N 3.37Å; T401-I403 VanDerWaalsContact C-N 3.31Å; T401-I403 PolarHBondContact O-N 3.17Å; T401-A404 PolarHBondContact O-N 3.37Å; T401-A404 VanDerWaalsContact O-N 3.16Å; T401-D405 PolarHBondContact O-N 3.33Å; T401-S411 WeakPolarHBondContact O-CB 3.49Å
402I95.2Very high94.9Very high42 Ų4244.5 Ų44.522%0.21526%0.257CS..Hα-helixtrans-66.3-34.6-178.9-69.1163.5000111.3V57 E61 M398 L399 P400 N406V57-I402 HydrophobicContact CG1-CD1 3.37Å; E61-I402 HydrophobicContact CG-CD1 4.32Å; M398-I402 HydrophobicContact CB-CD1 4.49Å; M398-I402 HydrophobicContact CE-CG1 4.38Å; M398-I402 WeakPolarHBondContact O-CB 3.46Å; M398-I402 WeakPolarHBondContact O-CD1 3.34Å; M398-I402 WeakPolarHBondContact O-CG1 3.32Å; M398-I402 PolarHBondContact O-N 3.19Å; L399-I402 PolarHBondContact O-N 2.67Å; P400-I402 PolarHBondContact O-N 3.42Å; I402-N406 WeakPolarHBondContact O-CB 3.44Å; I402-N406 PolarHBondContact O-N 3.26Å; I402-N406 PolarHBondContact O-ND2 3.05Å
403I93.6Very high94.8Very high68 Ų6848.3 Ų48.335%0.34928%0.277SS..Hα-helixtrans-61.5-47.5172.9-66.9168.7000110.1L399 P400 T401 N406 A407 L431 M433L399-I403 WeakPolarHBondContact O-CG1 3.49Å; L399-I403 PolarHBondContact O-N 3.07Å; P400-I403 PolarHBondContact O-N 3.01Å; T401-I403 VanDerWaalsContact C-N 3.31Å; T401-I403 PolarHBondContact O-N 3.17Å; I403-N406 PolarHBondContact O-N 2.78Å; I403-A407 PolarHBondContact O-N 2.83Å; I403-L431 HydrophobicContact CG2-CD1 4.48Å; I403-M433 HydrophobicContact CG2-CE 4.34Å; I403-M433 HydrophobicContact CG2-CG 3.9Å; I403-M433 HydrophobicContact CG2-SD 3.86Å
404A94.6Very high94.7Very high0 Ų048.8 Ų48.80%028%0.279CS..Hα-helixtrans-64.6-42.2178.300000112.9P400 T401 N406 A407 G408 Y409 L414 L431 M433P400-A404 PolarHBondContact O-N 2.78Å; T401-A404 PolarHBondContact O-N 3.37Å; T401-A404 VanDerWaalsContact O-N 3.16Å; A404-N406 PolarHBondContact O-N 3.38Å; A404-A407 PolarHBondContact O-N 2.82Å; A404-G408 PolarHBondContact O-N 3.49Å; A404-Y409 PolarHBondContact O-N 2.9Å; A404-L414 HydrophobicContact CB-CD1 4.16Å; A404-L431 HydrophobicContact CB-CD1 4.39Å; A404-M433 HydrophobicContact CB-CE 4.41Å
405D94.3Very high94.6Very high82 Ų8245.4 Ų45.444%0.43927%0.266SS..Hα-helixtrans-61.5-42.9176.2-72.6-25000111.7T401 A407 G408 S411T401-D405 PolarHBondContact O-N 3.33Å; D405-A407 PolarHBondContact O-N 2.64Å; D405-G408 PolarHBondContact O-N 3.14Å; D405-S411 WeakPolarHBondContact OD1-CB 3.4Å; D405-S411 PolarHBondContact OD1-OG 2.84Å
406N92.3Very high94.5Very high136 Ų13647.3 Ų47.373%0.72728%0.282SS*.Hα-helixtrans-64.8-24.7179.4-78.2-33.9000113.4I402 I403 A404I402-N406 WeakPolarHBondContact O-CB 3.44Å; I402-N406 PolarHBondContact O-N 3.26Å; I402-N406 PolarHBondContact O-ND2 3.05Å; I403-N406 PolarHBondContact O-N 2.78Å; A404-N406 PolarHBondContact O-N 3.38Å
407A91Very high94.4Very high49 Ų4951.2 Ų51.241%0.40530%0.3SS..Hα-helixtrans-90.9-9.3175.200000113.4I403 A404 D405 Y409 M433I403-A407 PolarHBondContact O-N 2.83Å; A404-A407 PolarHBondContact O-N 2.82Å; D405-A407 PolarHBondContact O-N 2.64Å; A407-Y409 HydrophobicContact CB-CD2 3.58Å; A407-Y409 HydrophobicContact CB-CE2 3.76Å; A407-M433 HydrophobicContact CB-CE 3.15Å
408G92.8Very high94.3Very high67 Ų6748.8 Ų48.869%0.69129%0.291SS*.THydrogen-bonded Turntrans81.420178.400000115.1A404 D405A404-G408 PolarHBondContact O-N 3.49Å; D405-G408 PolarHBondContact O-N 3.14Å
409Y93.4Very high94.2Very high87 Ų8753 Ų5334%0.34130%0.304SS..SBendtrans-90.7170.2174.3-64.6-73.5000112A404 A407 S411 L414 M433 R434A404-Y409 PolarHBondContact O-N 2.9Å; A407-Y409 HydrophobicContact CB-CD2 3.58Å; A407-Y409 HydrophobicContact CB-CE2 3.76Å; Y409-S411 PolarHBondContact O-N 3.08Å; Y409-L414 HydrophobicContact CG-CD1 4.44Å; Y409-M433 HydrophobicContact CD2-CE 3.54Å; Y409-M433 HydrophobicContact CE2-CE 3.95Å; Y409-M433 WeakPolarHBondContact CE2-O 3.49Å; Y409-M433 PolarHBondContact OH-O 3.14Å; Y409-R434 PolarHBondContact OH-O 3.03Å
410D94.2Very high94.2Very high102 Ų10254.4 Ų54.455%0.54532%0.318SS..  trans-72.990.6171.7-171.3-13.8000110.3A412 D413 L414D410-A412 PolarHBondContact O-N 3.49Å; D410-A412 WeakPolarHBondContact OD1-CB 3.42Å; D410-A412 PolarHBondContact OD1-N 3.11Å; D410-A412 VanDerWaalsContact OD1-N 3.11Å; D410-D413 HydrophobicContact CB-CB 4.25Å; D410-D413 PolarHBondContact O-N 3.44Å; D410-D413 PolarHBondContact OD1-N 3.3Å; D410-L414 WeakPolarHBondContact O-CG 3.32Å; D410-L414 PolarHBondContact O-N 2.9Å; D410-L414 VanDerWaalsContact O-N 3.1Å
411S94Very high94.1Very high16 Ų1655.2 Ų55.211%0.11233%0.325CS..Hα-helixtrans-63.1-29.1-179.863.30000113T401 D405 Y409 V415T401-S411 WeakPolarHBondContact O-CB 3.49Å; D405-S411 WeakPolarHBondContact OD1-CB 3.4Å; D405-S411 PolarHBondContact OD1-OG 2.84Å; Y409-S411 PolarHBondContact O-N 3.08Å; S411-V415 VanDerWaalsContact O-CB 3.26Å; S411-V415 WeakPolarHBondContact O-CB 3.34Å; S411-V415 WeakPolarHBondContact O-CG2 3.33Å; S411-V415 PolarHBondContact O-N 3.46Å
412A93.8Very high94Very high71 Ų7154.6 Ų54.659%0.58732%0.321SS*.Hα-helixtrans-69.2-44.8-179.200000111D410 A416D410-A412 PolarHBondContact O-N 3.49Å; D410-A412 WeakPolarHBondContact OD1-CB 3.42Å; D410-A412 PolarHBondContact OD1-N 3.11Å; D410-A412 VanDerWaalsContact OD1-N 3.11Å; A412-A416 WeakPolarHBondContact O-CB 3.47Å; A412-A416 PolarHBondContact O-N 3.01Å
413D95.2Very high93.9Very high80 Ų8055.8 Ų55.843%0.42833%0.333SS..Hα-helixtrans-68-50176.7-17539.7000111.5D410 V415 A416 Q417D410-D413 HydrophobicContact CB-CB 4.25Å; D410-D413 PolarHBondContact O-N 3.44Å; D410-D413 PolarHBondContact OD1-N 3.3Å; D413-V415 PolarHBondContact O-N 3.49Å; D413-A416 WeakPolarHBondContact O-CB 3.19Å; D413-A416 PolarHBondContact O-N 3.36Å; D413-A416 VanDerWaalsContact O-N 3.16Å; D413-Q417 WeakPolarHBondContact O-CG 3.38Å; D413-Q417 PolarHBondContact O-N 3.2Å; D413-Q417 PolarHBondContact OD1-NE2 2.94Å; D413-Q417 PolarHBondContact OD2-NE2 3.38Å
414L94.8Very high93.8Very high9 Ų960.6 Ų60.65%0.04735%0.354CS..Hα-helixtrans-59.7-45.7-178.4-73.2175.5000113A404 Y409 D410 A416 Q417 L418 L431 G436A404-L414 HydrophobicContact CB-CD1 4.16Å; Y409-L414 HydrophobicContact CG-CD1 4.44Å; D410-L414 WeakPolarHBondContact O-CG 3.32Å; D410-L414 PolarHBondContact O-N 2.9Å; D410-L414 VanDerWaalsContact O-N 3.1Å; L414-A416 VanDerWaalsContact C-N 3.33Å; L414-A416 PolarHBondContact O-N 3.3Å; L414-Q417 PolarHBondContact O-N 3.11Å; L414-L418 VanDerWaalsContact O-CB 3.25Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 PolarHBondContact O-N 2.84Å; L414-L431 HydrophobicContact CB-CD2 3.96Å; L414-G436 WeakPolarHBondContact CD2-O 3.49Å
415V94.4Very high93.6Very high16 Ų1663.1 Ų63.110%0.09738%0.38CS..Hα-helixtrans-70.7-32.5179.6175.70000111.3M368 P400 S411 D413 L418 R419M368-V415 HydrophobicContact CE-CG1 3.91Å; P400-V415 HydrophobicContact CB-CG2 4.25Å; S411-V415 VanDerWaalsContact O-CB 3.26Å; S411-V415 WeakPolarHBondContact O-CB 3.34Å; S411-V415 WeakPolarHBondContact O-CG2 3.33Å; S411-V415 PolarHBondContact O-N 3.46Å; D413-V415 PolarHBondContact O-N 3.49Å; V415-L418 PolarHBondContact O-N 2.85Å; V415-R419 VanDerWaalsContact O-CB 3.29Å; V415-R419 WeakPolarHBondContact O-CB 3.28Å; V415-R419 PolarHBondContact O-N 3.3Å
416A94.5Very high93.5Very high40 Ų4062.6 Ų62.633%0.33138%0.377SS..Hα-helixtrans-65.6-45.6174.800000111.8A412 D413 L414 R419 A420A412-A416 WeakPolarHBondContact O-CB 3.47Å; A412-A416 PolarHBondContact O-N 3.01Å; D413-A416 WeakPolarHBondContact O-CB 3.19Å; D413-A416 PolarHBondContact O-N 3.36Å; D413-A416 VanDerWaalsContact O-N 3.16Å; L414-A416 VanDerWaalsContact C-N 3.33Å; L414-A416 PolarHBondContact O-N 3.3Å; A416-R419 PolarHBondContact O-N 2.83Å; A416-A420 PolarHBondContact O-N 2.98Å; A416-A420 VanDerWaalsContact O-N 3.08Å
417Q94.5Very high93.3Very high83 Ų8359.7 Ų59.739%0.38836%0.364SS..Hα-helixtrans-64.6-40.8174.7-67.1176.630.500111.3D413 L414 R419 A420 A421 I438D413-Q417 WeakPolarHBondContact O-CG 3.38Å; D413-Q417 PolarHBondContact O-N 3.2Å; D413-Q417 PolarHBondContact OD1-NE2 2.94Å; D413-Q417 PolarHBondContact OD2-NE2 3.38Å; L414-Q417 PolarHBondContact O-N 3.11Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; Q417-R419 PolarHBondContact O-N 2.99Å; Q417-A420 WeakPolarHBondContact O-CB 3.09Å; Q417-A420 PolarHBondContact O-N 2.76Å; Q417-A420 VanDerWaalsContact O-N 3.1Å; Q417-A421 PolarHBondContact O-N 2.7Å; Q417-I438 HydrophobicContact CB-CD1 3.19Å; Q417-I438 HydrophobicContact CG-CD1 4.46Å
418L94.3Very high93.5Very high0 Ų058.7 Ų58.70%035%0.353CS..Hα-helixtrans-64.3-41.4-179.9-178.564000110.9M368 P400 L414 V415 A420 A421 H422 A429 L431 I438M368-L418 HydrophobicContact CB-CD2 4.22Å; M368-L418 HydrophobicContact CB-CG 4.28Å; M368-L418 HydrophobicContact CE-CB 4.14Å; M368-L418 HydrophobicContact CE-CD2 3.84Å; M368-L418 HydrophobicContact CE-CG 3.9Å; M368-L418 HydrophobicContact CG-CD2 4.49Å; M368-L418 HydrophobicContact CG-CG 4.1Å; P400-L418 HydrophobicContact CB-CD2 4.23Å; L414-L418 VanDerWaalsContact O-CB 3.25Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 PolarHBondContact O-N 2.84Å; V415-L418 PolarHBondContact O-N 2.85Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-A420 PolarHBondContact O-N 2.91Å; L418-A421 PolarHBondContact O-N 2.74Å; L418-H422 PolarHBondContact O-CD2 2.8Å; L418-H422 PolarHBondContact O-N 2.77Å; L418-A429 HydrophobicContact CD1-CB 4.07Å; L418-A429 WeakPolarHBondContact CD1-O 3.41Å; L418-L431 HydrophobicContact CD2-CD2 4.09Å; L418-L431 HydrophobicContact CD2-CG 4.09Å; L418-I438 HydrophobicContact CB-CD1 4Å; L418-I438 HydrophobicContact CB-CG1 4.35Å; L418-I438 HydrophobicContact CD1-CG2 4.25Å
419R94.2Very high93.5Very high127 Ų12755.5 Ų55.548%0.47932%0.321SS..Hα-helixtrans-61.9-40.1173.2-177.1-173.364.7175.7-2.7111.9M368 V415 A416 Q417 S423M368-R419 HydrophobicContact CE-CB 4.06Å; M368-R419 HydrophobicContact SD-CB 3.84Å; M368-R419 HydrophobicContact SD-CG 4.21Å; V415-R419 VanDerWaalsContact O-CB 3.29Å; V415-R419 WeakPolarHBondContact O-CB 3.28Å; V415-R419 PolarHBondContact O-N 3.3Å; A416-R419 PolarHBondContact O-N 2.83Å; Q417-R419 VanDerWaalsContact C-N 3.33Å; Q417-R419 PolarHBondContact O-N 2.99Å; R419-S423 WeakPolarHBondContact O-CB 3.32Å; R419-S423 PolarHBondContact O-N 2.86Å; R419-S423 PolarHBondContact O-OG 3.01Å
420A94.5Very high93.6Very high45 Ų4551.4 Ų51.437%0.37230%0.304SS..Hα-helixtrans-64-48.4176.500000111A416 Q417 L418 H422 S423 E424A416-A420 PolarHBondContact O-N 2.98Å; A416-A420 VanDerWaalsContact O-N 3.08Å; Q417-A420 WeakPolarHBondContact O-CB 3.09Å; Q417-A420 PolarHBondContact O-N 2.76Å; Q417-A420 VanDerWaalsContact O-N 3.1Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-A420 PolarHBondContact O-N 2.91Å; A420-H422 PolarHBondContact O-N 2.94Å; A420-S423 WeakPolarHBondContact O-CA 3.27Å; A420-S423 WeakPolarHBondContact O-CB 3.4Å; A420-S423 PolarHBondContact O-N 3.24Å; A420-E424 PolarHBondContact O-N 3.45Å
421A94.5Very high93.6Very high17 Ų1746.7 Ų46.714%0.1428%0.279CS..Hα-helixtrans-57.6-45.6178.400000112.7Q417 L418 S423 E424 G425 N426 A429Q417-A421 PolarHBondContact O-N 2.7Å; L418-A421 PolarHBondContact O-N 2.74Å; A421-S423 VanDerWaalsContact C-N 3.29Å; A421-S423 PolarHBondContact O-N 2.85Å; A421-E424 PolarHBondContact O-N 3.32Å; A421-G425 PolarHBondContact O-N 3.05Å; A421-N426 HydrophobicContact CB-CB 4.44Å; A421-N426 WeakPolarHBondContact O-CB 3.21Å; A421-N426 PolarHBondContact O-N 2.82Å; A421-A429 HydrophobicContact CB-CB 3.93Å
422H94.1Very high93.6Very high9 Ų946.9 Ų46.94%0.04228%0.279CS..Hα-helixtrans-65.4-32.6175.6-85.3-110.6000112.6C365 M368 L369 L418 A420 E424 G425 A429C365-H422 PolarHBondContact O-CE1 3.38Å; C365-H422 VanDerWaalsContact O-CE1 3.22Å; M368-H422 HydrophobicContact CG-CB 3.77Å; M368-H422 VanDerWaalsContact CG-CG 3.45Å; L369-H422 PolarHBondContact N-ND1 2.96Å; L418-H422 PolarHBondContact O-CD2 2.8Å; L418-H422 PolarHBondContact O-N 2.77Å; A420-H422 PolarHBondContact O-N 2.94Å; H422-E424 VanDerWaalsContact C-N 3.33Å; H422-G425 PolarHBondContact O-N 3.06Å; H422-A429 PolarHBondContact NE2-O 2.85Å
423S92Very high93.4Very high67 Ų6746 Ų4647%0.46926%0.264SS..Hα-helixtrans-72.5-26.9176.7-57.10000113R419 A420 A421 G425R419-S423 WeakPolarHBondContact O-CB 3.32Å; R419-S423 PolarHBondContact O-N 2.86Å; R419-S423 PolarHBondContact O-OG 3.01Å; A420-S423 WeakPolarHBondContact O-CA 3.27Å; A420-S423 WeakPolarHBondContact O-CB 3.4Å; A420-S423 PolarHBondContact O-N 3.24Å; A421-S423 VanDerWaalsContact C-N 3.29Å; A421-S423 PolarHBondContact O-N 2.85Å; S423-G425 PolarHBondContact O-N 2.87Å
424E92.9Very high93Very high170 Ų17052.1 Ų52.179%0.79428%0.28SS*.THydrogen-bonded Turntrans-77.6-5.3171.3-69.1175.2-179.200112.9A420 A421 H422A420-E424 PolarHBondContact O-N 3.45Å; A421-E424 PolarHBondContact O-N 3.32Å; H422-E424 VanDerWaalsContact C-N 3.33Å
425G90Very high92.7Very high53 Ų5358.5 Ų58.555%0.54631%0.31SS..THydrogen-bonded Turntrans95.58.817900000114.5A421 H422 S423 T427A421-G425 PolarHBondContact O-N 3.05Å; H422-G425 PolarHBondContact O-N 3.06Å; S423-G425 PolarHBondContact O-N 2.87Å; G425-T427 PolarHBondContact O-N 3.35Å; G425-T427 VanDerWaalsContact O-N 3.09Å
426N91Very high92.5Very high70 Ų7058.4 Ų58.437%0.37431%0.313SS..  trans-79.589.4173.3-171.5-10.7000110.6A421 T428 A429A421-N426 HydrophobicContact CB-CB 4.44Å; A421-N426 WeakPolarHBondContact O-CB 3.21Å; A421-N426 PolarHBondContact O-N 2.82Å; N426-T428 VanDerWaalsContact C-N 3.28Å; N426-T428 PolarHBondContact O-N 2.98Å; N426-T428 PolarHBondContact OD1-N 3.29Å; N426-T428 PolarHBondContact OD1-OG1 3.08Å; N426-T428 VanDerWaalsContact OD1-OG1 3.08Å; N426-A429 HydrophobicContact CB-CB 4.35Å; N426-A429 PolarHBondContact OD1-N 3.12Å
427T89.9Confident92.5Very high75 Ų7559.9 Ų59.946%0.4632%0.318SS..THydrogen-bonded Turntrans-79.9-2.4-178.758.10000114.3C365 L369 G425C365-T427 PolarHBondContact SG-O 3.07Å; L369-T427 HydrophobicContact CD1-CG2 4.11Å; G425-T427 PolarHBondContact O-N 3.35Å; G425-T427 VanDerWaalsContact O-N 3.09Å
428T93.3Very high92.4Very high28 Ų2858.1 Ų58.117%0.17231%0.31CS..THydrogen-bonded Turntrans-102.8-10.3177.564.70000112.7Y361 N426 G430 D440 M441Y361-T428 HydrophobicContact CD2-CG2 4.27Å; Y361-T428 HydrophobicContact CE2-CG2 3.69Å; N426-T428 VanDerWaalsContact C-N 3.28Å; N426-T428 PolarHBondContact O-N 2.98Å; N426-T428 PolarHBondContact OD1-N 3.29Å; N426-T428 PolarHBondContact OD1-OG1 3.08Å; N426-T428 VanDerWaalsContact OD1-OG1 3.08Å; T428-G430 PolarHBondContact O-N 2.64Å; T428-D440 VanDerWaalsContact CB-OD1 3.25Å; T428-D440 WeakPolarHBondContact CB-OD1 3.35Å; T428-D440 VanDerWaalsContact OG1-CG 3.22Å; T428-D440 PolarHBondContact OG1-OD1 3.06Å; T428-D440 PolarHBondContact OG1-OD2 3.22Å; T428-D440 VanDerWaalsContact OG1-OD2 3.08Å; T428-M441 WeakPolarHBondContact O-CB 3.31Å; T428-M441 WeakPolarHBondContact O-CG 3.1Å; T428-M441 PolarHBondContact O-N 2.82Å
429A94.7Very high92.3Very high1 Ų158.9 Ų58.91%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-62.1129177.500000111.7C365 L418 A421 H422 N426 I438 G439C365-A429 WeakPolarHBondContact CB-O 3.11Å; C365-A429 PolarHBondContact SG-O 3.28Å; L418-A429 HydrophobicContact CD1-CB 4.07Å; L418-A429 WeakPolarHBondContact CD1-O 3.41Å; A421-A429 HydrophobicContact CB-CB 3.93Å; H422-A429 PolarHBondContact NE2-O 2.85Å; N426-A429 HydrophobicContact CB-CB 4.35Å; N426-A429 PolarHBondContact OD1-N 3.12Å; A429-I438 HydrophobicContact CB-CG2 3.87Å; A429-G439 WeakPolarHBondContact CA-O 3.41Å
430G94.8Very high92.3Very high0 Ų055.3 Ų55.30%031%0.309CS..EExtended strand (participates in β ladder)trans-145.5-177.6173.400000111.2T428 I438 G439 M441T428-G430 PolarHBondContact O-N 2.64Å; G430-I438 WeakPolarHBondContact O-CA 3.35Å; G430-G439 PolarHBondContact N-O 3.08Å; G430-G439 PolarHBondContact O-N 3.19Å; G430-M441 VanDerWaalsContact C-CE 3.49Å
431L94.1Very high92.2Very high3 Ų353.1 Ų53.12%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-83.8119178.5-60.1177.1000110.9G363 P400 I403 A404 L414 L418 M433G363-L431 WeakPolarHBondContact O-CB 3.49Å; G363-L431 PolarHBondContact O-N 3.28Å; P400-L431 HydrophobicContact CB-CD1 3.65Å; P400-L431 HydrophobicContact CB-CG 4.45Å; P400-L431 VanDerWaalsContact O-CD1 3.3Å; P400-L431 WeakPolarHBondContact O-CD1 3.49Å; I403-L431 HydrophobicContact CG2-CD1 4.48Å; A404-L431 HydrophobicContact CB-CD1 4.39Å; L414-L431 HydrophobicContact CB-CD2 3.96Å; L418-L431 HydrophobicContact CD2-CD2 4.09Å; L418-L431 HydrophobicContact CD2-CG 4.09Å; L431-M433 HydrophobicContact CB-SD 3.66Å; L431-M433 HydrophobicContact CD1-SD 4.27Å
432D93.9Very high92Very high21 Ų2154.5 Ų54.511%0.11230%0.302CS..EExtended strand (participates in β ladder)trans-89.9101.2165.1-172.4-11000109.5R434 G436 T437 L444D432-R434 PolarHBondContact O-N 3.02Å; D432-R434 WeakPolarHBondContact OD1-CB 3.02Å; D432-R434 PolarHBondContact OD1-N 2.81Å; D432-G436 WeakPolarHBondContact O-CA 3.39Å; D432-G436 PolarHBondContact O-N 2.9Å; D432-T437 PolarHBondContact N-O 3.34Å; D432-T437 PolarHBondContact O-N 2.91Å; D432-L444 HydrophobicContact CB-CD1 3.78Å
433M89.6Confident91.9Very high53 Ų5360.8 Ų60.826%0.26134%0.335SS..THydrogen-bonded Turntrans-77.8-3.7-177.5-56.6-47.1-58.800114I403 A404 A407 Y409 L431I403-M433 HydrophobicContact CG2-CE 4.34Å; I403-M433 HydrophobicContact CG2-CG 3.9Å; I403-M433 HydrophobicContact CG2-SD 3.86Å; A404-M433 HydrophobicContact CB-CE 4.41Å; A407-M433 HydrophobicContact CB-CE 3.15Å; Y409-M433 HydrophobicContact CD2-CE 3.54Å; Y409-M433 HydrophobicContact CE2-CE 3.95Å; Y409-M433 WeakPolarHBondContact CE2-O 3.49Å; Y409-M433 PolarHBondContact OH-O 3.14Å; L431-M433 HydrophobicContact CB-SD 3.66Å; L431-M433 HydrophobicContact CD1-SD 4.27Å
434R87.6Confident91.9Very high207 Ų20761.2 Ų61.278%0.78133%0.331SS*.THydrogen-bonded Turntrans-81.9-46.2174.4-65.6179.2173.8177.7-2.1111.2Y409 D432Y409-R434 PolarHBondContact OH-O 3.03Å; D432-R434 PolarHBondContact O-N 3.02Å; D432-R434 WeakPolarHBondContact OD1-CB 3.02Å; D432-R434 PolarHBondContact OD1-N 2.81Å
435E88.2Confident91.8Very high143 Ų14354 Ų5467%0.66830%0.302SS*.THydrogen-bonded Turntrans-93.5-15.7179.8-61.6-60.3143.800112.2T437E435-T437 HydrophobicContact CB-CG2 4.49Å
436G90.1Very high91.9Very high15 Ų1553.5 Ų53.516%0.15529%0.287CS..THydrogen-bonded Turntrans69.440.8-175.700000112.1L414 D432L414-G436 WeakPolarHBondContact CD2-O 3.49Å; D432-G436 WeakPolarHBondContact O-CA 3.39Å; D432-G436 PolarHBondContact O-N 2.9Å
437T93.5Very high92Very high70 Ų7050.5 Ų50.543%0.42927%0.271SS..EExtended strand (participates in β ladder)trans-137177.1-17861.80000110.9D432 E435D432-T437 PolarHBondContact N-O 3.34Å; D432-T437 PolarHBondContact O-N 2.91Å; E435-T437 HydrophobicContact CB-CG2 4.49Å
438I92.8Very high92.2Very high46 Ų4648.4 Ų48.424%0.23626%0.256CS..EExtended strand (participates in β ladder)trans-87.3126.3170.6-65.4161.9000108.9Q417 L418 A429 G430Q417-I438 HydrophobicContact CB-CD1 3.19Å; Q417-I438 HydrophobicContact CG-CD1 4.46Å; L418-I438 HydrophobicContact CB-CD1 4Å; L418-I438 HydrophobicContact CB-CG1 4.35Å; L418-I438 HydrophobicContact CD1-CG2 4.25Å; A429-I438 HydrophobicContact CB-CG2 3.87Å; G430-I438 WeakPolarHBondContact O-CA 3.35Å
439G92.9Very high92.2Very high17 Ų1747.1 Ų47.118%0.17525%0.248CC..EExtended strand (participates in β ladder)trans-121.8165.8178.200000112A429 G430 M441A429-G439 WeakPolarHBondContact CA-O 3.41Å; G430-G439 PolarHBondContact N-O 3.08Å; G430-G439 PolarHBondContact O-N 3.19Å; G439-M441 WeakPolarHBondContact O-CE 3.37Å
440D93.8Very high92.3Very high51 Ų5147.3 Ų47.327%0.27325%0.249SC..EExtended strand (participates in β ladder)trans-83114.5169.9-171.7-31.6000109.5T428 A442 I443 L444T428-D440 VanDerWaalsContact CB-OD1 3.25Å; T428-D440 WeakPolarHBondContact CB-OD1 3.35Å; T428-D440 VanDerWaalsContact OG1-CG 3.22Å; T428-D440 PolarHBondContact OG1-OD1 3.06Å; T428-D440 PolarHBondContact OG1-OD2 3.22Å; T428-D440 VanDerWaalsContact OG1-OD2 3.08Å; D440-A442 PolarHBondContact O-N 2.94Å; D440-A442 WeakPolarHBondContact OD1-CA 3.45Å; D440-A442 WeakPolarHBondContact OD1-CB 3.44Å; D440-A442 PolarHBondContact OD1-N 3.29Å; D440-I443 HydrophobicContact CB-CB 4.22Å; D440-I443 HydrophobicContact CB-CD1 3.86Å; D440-I443 HydrophobicContact CB-CG1 3.92Å; D440-I443 PolarHBondContact O-N 3.33Å; D440-I443 VanDerWaalsContact O-N 3.16Å; D440-L444 WeakPolarHBondContact O-CG 3.01Å; D440-L444 PolarHBondContact O-N 3.29Å
441M92.9Very high92.2Very high0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-65-25.5-177.8-62.7-60.496.700112.9Y361 C365 T428 G430 G439 L444 G445 I446Y361-M441 HydrophobicContact CD1-CB 3.86Å; Y361-M441 HydrophobicContact CG-CB 3.98Å; C365-M441 HydrophobicContact CB-CG 3.99Å; T428-M441 WeakPolarHBondContact O-CB 3.31Å; T428-M441 WeakPolarHBondContact O-CG 3.1Å; T428-M441 PolarHBondContact O-N 2.82Å; G430-M441 VanDerWaalsContact C-CE 3.49Å; G439-M441 WeakPolarHBondContact O-CE 3.37Å; M441-L444 HydrophobicContact CE-CD1 3.64Å; M441-G445 PolarHBondContact O-N 3.45Å; M441-G445 VanDerWaalsContact O-N 3.1Å; M441-I446 HydrophobicContact CE-CD1 4.41Å; M441-I446 PolarHBondContact O-N 3.37Å; M441-I446 HydrophobicContact SD-CB 4Å; M441-I446 HydrophobicContact SD-CD1 3.95Å; M441-I446 HydrophobicContact SD-CG1 4.5Å; M441-I446 HydrophobicContact SD-CG2 4.26Å
442A91.1Very high92.2Very high46 Ų4649 Ų4938%0.3826%0.257SS..Hα-helixtrans-69.5-40.2175.500000111.2Y361 D440 G445Y361-A442 HydrophobicContact CE1-CB 3.65Å; D440-A442 PolarHBondContact O-N 2.94Å; D440-A442 WeakPolarHBondContact OD1-CA 3.45Å; D440-A442 WeakPolarHBondContact OD1-CB 3.44Å; D440-A442 PolarHBondContact OD1-N 3.29Å; A442-G445 PolarHBondContact O-N 2.8Å
443I91.9Very high92.2Very high141 Ų14148.7 Ų48.772%0.72326%0.255SS*.Hα-helixtrans-72.7-40.4178.4-58.2179.2000110.6D440 G445D440-I443 HydrophobicContact CB-CB 4.22Å; D440-I443 HydrophobicContact CB-CD1 3.86Å; D440-I443 HydrophobicContact CB-CG1 3.92Å; D440-I443 PolarHBondContact O-N 3.33Å; D440-I443 VanDerWaalsContact O-N 3.16Å; I443-G445 PolarHBondContact O-N 3.05Å
444L91.3Very high92.5Very high75 Ų7549.4 Ų49.439%0.39326%0.255SS..Hα-helixtrans-72.7-12.2178.2-64.6-179.3000113.4D432 D440 M441 I446D432-L444 HydrophobicContact CB-CD1 3.78Å; D440-L444 WeakPolarHBondContact O-CG 3.01Å; D440-L444 PolarHBondContact O-N 3.29Å; M441-L444 HydrophobicContact CE-CD1 3.64Å; L444-I446 VanDerWaalsContact C-N 3.3Å; L444-I446 HydrophobicContact CB-CD1 3.97Å; L444-I446 HydrophobicContact CB-CG1 3.93Å; L444-I446 HydrophobicContact CD1-CD1 4.1Å; L444-I446 PolarHBondContact O-N 3.5Å
445G90.5Very high92.9Very high18 Ų1841.3 Ų41.319%0.18623%0.225CC..THydrogen-bonded Turntrans68.626.7-177.800000113.4N114 M441 A442 I443 T447N114-G445 WeakPolarHBondContact CB-O 3.5Å; M441-G445 PolarHBondContact O-N 3.45Å; M441-G445 VanDerWaalsContact O-N 3.1Å; A442-G445 PolarHBondContact O-N 2.8Å; I443-G445 PolarHBondContact O-N 3.05Å; G445-T447 PolarHBondContact O-N 3.42Å
446I92.9Very high93.2Very high43 Ų4334.7 Ų34.722%0.22120%0.195CC..  trans-90.684.3179.5-56.9175.1000108.2T118 G362 M441 L444T118-I446 HydrophobicContact CG2-CG2 4.2Å; G362-I446 PolarHBondContact N-O 3.18Å; M441-I446 HydrophobicContact CE-CD1 4.41Å; M441-I446 PolarHBondContact O-N 3.37Å; M441-I446 HydrophobicContact SD-CB 4Å; M441-I446 HydrophobicContact SD-CD1 3.95Å; M441-I446 HydrophobicContact SD-CG1 4.5Å; M441-I446 HydrophobicContact SD-CG2 4.26Å; L444-I446 VanDerWaalsContact C-N 3.3Å; L444-I446 HydrophobicContact CB-CD1 3.97Å; L444-I446 HydrophobicContact CB-CG1 3.93Å; L444-I446 HydrophobicContact CD1-CD1 4.1Å; L444-I446 PolarHBondContact O-N 3.5Å
447T93.1Very high93.5Very high8 Ų834 Ų345%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-111.1142.5177.159.30000110.6N114 I115 T118 V360 Y361 G445N114-T447 WeakPolarHBondContact CB-OG1 3.41Å; I115-T447 WeakPolarHBondContact CA-O 3.12Å; T118-T447 WeakPolarHBondContact CB-O 3.4Å; T118-T447 PolarHBondContact OG1-O 2.85Å; T118-T447 VanDerWaalsContact OG1-O 3.14Å; V360-T447 CarbonylContact O-C 3.52Å; V360-T447 WeakPolarHBondContact O-CA 3.21Å; Y361-T447 HydrophobicContact CD1-CG2 4.33Å; Y361-T447 HydrophobicContact CE1-CG2 4.41Å; G445-T447 PolarHBondContact O-N 3.42Å
448E93.9Very high93.6Very high31 Ų3132.3 Ų32.315%0.14518%0.176CC..EExtended strand (participates in β ladder)trans-121.4160.9174.5-67.4-176.485.100110T118 V360 G362 K453T118-E448 HydrophobicContact CG2-CG 3.76Å; V360-E448 HydrophobicContact CG2-CB 4.45Å; V360-E448 PolarHBondContact N-O 2.75Å; V360-E448 PolarHBondContact O-N 3.06Å; G362-E448 WeakPolarHBondContact CA-OE2 3.38Å; E448-K453 WeakPolarHBondContact OE1-CE 3.4Å; E448-K453 IonicContact OE1-NZ 2.67Å; E448-K453 PolarHBondContact OE1-NZ 3.41Å; E448-K453 WeakPolarHBondContact OE2-CE 3.41Å; E448-K453 IonicContact OE2-NZ 3.98Å; E448-K453 PolarHBondContact OE2-NZ 3.11Å
449S93.8Very high93.7Very high1 Ų130.3 Ų30.31%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-69.8133.8175.9179.50000111T353 Q451 V452 K453T353-S449 WeakPolarHBondContact OG1-CB 3.45Å; T353-S449 PolarHBondContact OG1-OG 3.23Å; S449-Q451 PolarHBondContact O-N 3.19Å; S449-Q451 PolarHBondContact OG-N 3.06Å; S449-V452 PolarHBondContact O-N 3.33Å; S449-K453 PolarHBondContact O-N 2.8Å
450F94.8Very high93.9Very high4 Ų429.5 Ų29.52%0.01816%0.157CC..Hα-helixtrans-57.4-39.8174168.8-105.8000111.6L94 L95 A98 R358 V360 V452 K453 R454L94-F450 HydrophobicContact CB-CE2 4.46Å; L94-F450 HydrophobicContact CD2-CD2 4.24Å; L94-F450 HydrophobicContact CD2-CE2 4.02Å; L94-F450 HydrophobicContact CG-CD2 4.01Å; L94-F450 HydrophobicContact CG-CE2 3.84Å; L95-F450 HydrophobicContact CB-CE2 4.34Å; L95-F450 HydrophobicContact CB-CZ 4.33Å; L95-F450 HydrophobicContact CD1-CE1 4.34Å; L95-F450 HydrophobicContact CD1-CE2 4.31Å; L95-F450 HydrophobicContact CD1-CZ 3.76Å; A98-F450 HydrophobicContact CB-CD2 3.86Å; A98-F450 HydrophobicContact CB-CE2 4.36Å; A98-F450 HydrophobicContact CB-CG 4.28Å; R358-F450 HydrophobicContact CB-CB 3.7Å; R358-F450 HydrophobicContact CB-CD1 4.15Å; R358-F450 HydrophobicContact CB-CG 4.07Å; R358-F450 WeakPolarHBondContact O-CB 3.34Å; R358-F450 PolarHBondContact O-N 3.09Å; R358-F450 VanDerWaalsContact O-N 3.07Å; V360-F450 HydrophobicContact CG1-CB 4.19Å; V360-F450 HydrophobicContact CG1-CD2 3.96Å; F450-V452 PolarHBondContact O-N 3.21Å; F450-K453 PolarHBondContact O-N 2.88Å; F450-R454 HydrophobicContact CE1-CB 4.46Å; F450-R454 HydrophobicContact CZ-CB 4.3Å; F450-R454 HydrophobicContact CZ-CG 4.28Å; F450-R454 VanDerWaalsContact O-CB 3.28Å; F450-R454 WeakPolarHBondContact O-CB 3.4Å; F450-R454 PolarHBondContact O-N 3.46Å
451Q93.2Very high94Very high36 Ų3627.6 Ų27.617%0.16815%0.149CC..Hα-helixtrans-63.2-41.9-179.3-74.5-75.6-5.600112D356 S449 R454 Q455D356-Q451 HydrophobicContact CB-CG 3.75Å; D356-Q451 WeakPolarHBondContact OD2-CG 3.46Å; D356-Q451 PolarHBondContact OD2-NE2 3.41Å; S449-Q451 PolarHBondContact O-N 3.19Å; S449-Q451 PolarHBondContact OG-N 3.06Å; Q451-R454 VanDerWaalsContact CD-NH1 3.31Å; Q451-R454 PolarHBondContact O-N 3.26Å; Q451-Q455 WeakPolarHBondContact O-CB 3.28Å; Q451-Q455 PolarHBondContact O-N 3.08Å
452V94.3Very high94.1Very high4 Ų433.1 Ų33.12%0.02418%0.175CC..Hα-helixtrans-57.2-55.6175.1174.70000110.1V48 D50 V349 S449 F450 R454 Q455 V456V48-V452 HydrophobicContact CB-CG2 4.38Å; V48-V452 HydrophobicContact CG1-CB 4.14Å; V48-V452 HydrophobicContact CG1-CG2 3.31Å; D50-V452 HydrophobicContact CB-CG1 4.47Å; D50-V452 HydrophobicContact CB-CG2 4.47Å; V349-V452 HydrophobicContact CG1-CG2 4.09Å; V349-V452 HydrophobicContact CG2-CG2 4.03Å; S449-V452 PolarHBondContact O-N 3.33Å; F450-V452 PolarHBondContact O-N 3.21Å; V452-R454 PolarHBondContact O-N 3.37Å; V452-Q455 PolarHBondContact O-N 3.48Å; V452-V456 HydrophobicContact CG1-CG2 4.31Å; V452-V456 VanDerWaalsContact O-CG2 3.23Å; V452-V456 WeakPolarHBondContact O-CG2 3.47Å; V452-V456 PolarHBondContact O-N 2.92Å
453K94.7Very high94.3Very high13 Ų1331 Ų316%0.05716%0.157CC..Hα-helixtrans-63.3-40-178-70.7-64.4-173.8-1750113L94 V360 E367 E448 S449 F450 Q455 V456 L457L94-K453 HydrophobicContact CD1-CB 4.17Å; L94-K453 HydrophobicContact CD2-CB 3.82Å; V360-K453 HydrophobicContact CG2-CB 4.18Å; V360-K453 HydrophobicContact CG2-CG 3.7Å; E367-K453 WeakPolarHBondContact OE1-CE 3.41Å; E367-K453 IonicContact OE1-NZ 3.37Å; E367-K453 PolarHBondContact OE1-NZ 3.5Å; E367-K453 IonicContact OE2-NZ 2.75Å; E448-K453 WeakPolarHBondContact OE1-CE 3.4Å; E448-K453 IonicContact OE1-NZ 2.67Å; E448-K453 PolarHBondContact OE1-NZ 3.41Å; E448-K453 WeakPolarHBondContact OE2-CE 3.41Å; E448-K453 IonicContact OE2-NZ 3.98Å; E448-K453 PolarHBondContact OE2-NZ 3.11Å; S449-K453 PolarHBondContact O-N 2.8Å; F450-K453 PolarHBondContact O-N 2.88Å; K453-Q455 VanDerWaalsContact C-N 3.35Å; K453-V456 PolarHBondContact O-N 3.01Å; K453-L457 PolarHBondContact O-N 2.95Å; K453-L457 VanDerWaalsContact O-N 3.1Å
454R95.1Very high94.5Very high69 Ų6924.3 Ų24.326%0.2612%0.123SC..Hα-helixtrans-61-46.7176.6-168.1-167.791.8-151.2-0.2110.7L94 F450 Q451 V452 L457 L458L94-R454 HydrophobicContact CD2-CB 4.23Å; F450-R454 HydrophobicContact CE1-CB 4.46Å; F450-R454 HydrophobicContact CZ-CB 4.3Å; F450-R454 HydrophobicContact CZ-CG 4.28Å; F450-R454 VanDerWaalsContact O-CB 3.28Å; F450-R454 WeakPolarHBondContact O-CB 3.4Å; F450-R454 PolarHBondContact O-N 3.46Å; Q451-R454 VanDerWaalsContact CD-NH1 3.31Å; Q451-R454 PolarHBondContact O-N 3.26Å; V452-R454 PolarHBondContact O-N 3.37Å; R454-L457 PolarHBondContact O-N 3.39Å; R454-L458 HydrophobicContact CG-CD1 4.22Å; R454-L458 WeakPolarHBondContact O-CG 3.5Å; R454-L458 PolarHBondContact O-N 3.04Å
455Q95.1Very high94.7Very high36 Ų3622.3 Ų22.317%0.16811%0.112CC..Hα-helixtrans-68.3-39.6-179.2-165.363.418.300111.3V48 Q451 V452 K453 L457 L458 S459V48-Q455 HydrophobicContact CG2-CB 3.85Å; V48-Q455 HydrophobicContact CG2-CG 3.89Å; Q451-Q455 WeakPolarHBondContact O-CB 3.28Å; Q451-Q455 PolarHBondContact O-N 3.08Å; V452-Q455 PolarHBondContact O-N 3.48Å; K453-Q455 VanDerWaalsContact C-N 3.35Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 3.4Å; Q455-L458 PolarHBondContact O-N 3.16Å; Q455-S459 PolarHBondContact NE2-OG 3.36Å; Q455-S459 WeakPolarHBondContact O-CB 3.38Å; Q455-S459 PolarHBondContact O-N 3.37Å; Q455-S459 PolarHBondContact O-OG 3.43Å
456V95.8Very high94.9Very high5 Ų525.1 Ų25.13%0.0313%0.125CC..Hα-helixtrans-55.4-47.7175169.30000111.4V55 L58 V452 K453 A460V55-V456 HydrophobicContact CG2-CB 4.18Å; V55-V456 HydrophobicContact CG2-CG1 4.25Å; V55-V456 HydrophobicContact CG2-CG2 4Å; L58-V456 HydrophobicContact CD2-CG1 4.48Å; V452-V456 HydrophobicContact CG1-CG2 4.31Å; V452-V456 VanDerWaalsContact O-CG2 3.23Å; V452-V456 WeakPolarHBondContact O-CG2 3.47Å; V452-V456 PolarHBondContact O-N 2.92Å; K453-V456 PolarHBondContact O-N 3.01Å; V456-A460 WeakPolarHBondContact O-CB 3.47Å; V456-A460 PolarHBondContact O-N 2.93Å; V456-A460 VanDerWaalsContact O-N 3.11Å
457L95.8Very high95Very high1 Ų124.5 Ų24.51%0.00512%0.122CC..Hα-helixtrans-60.5-47.1178.9178.972.2000112.1T87 A90 R91 M370 Y392 L396 K453 R454 Q455 A461T87-L457 HydrophobicContact CG2-CD2 4.47Å; T87-L457 HydrophobicContact CG2-CG 4.29Å; A90-L457 HydrophobicContact CB-CD1 3.95Å; A90-L457 HydrophobicContact CB-CD2 3.8Å; R91-L457 HydrophobicContact CB-CD2 3.95Å; M370-L457 HydrophobicContact SD-CD1 4Å; M370-L457 HydrophobicContact SD-CD2 3.9Å; M370-L457 HydrophobicContact SD-CG 4.38Å; Y392-L457 HydrophobicContact CE1-CD1 4.23Å; Y392-L457 WeakPolarHBondContact OH-CD1 3.21Å; L396-L457 HydrophobicContact CD2-CD1 4.2Å; K453-L457 PolarHBondContact O-N 2.95Å; K453-L457 VanDerWaalsContact O-N 3.1Å; R454-L457 PolarHBondContact O-N 3.39Å; Q455-L457 VanDerWaalsContact C-N 3.32Å; Q455-L457 PolarHBondContact O-N 3.4Å; L457-A461 WeakPolarHBondContact O-CB 3.49Å; L457-A461 PolarHBondContact O-N 3.4Å
458L95.7Very high95Very high33 Ų3325 Ų2517%0.17312%0.124CC..Hα-helixtrans-70.4-52.2-176.2-67.1174.1000111.6T87 R454 Q455 A460 A461 E462T87-L458 HydrophobicContact CG2-CD2 4.01Å; R454-L458 HydrophobicContact CG-CD1 4.22Å; R454-L458 WeakPolarHBondContact O-CG 3.5Å; R454-L458 PolarHBondContact O-N 3.04Å; Q455-L458 PolarHBondContact O-N 3.16Å; L458-A460 VanDerWaalsContact C-N 3.31Å; L458-A460 PolarHBondContact O-N 2.77Å; L458-A461 PolarHBondContact O-N 2.9Å; L458-E462 WeakPolarHBondContact O-CG 3.43Å; L458-E462 PolarHBondContact O-N 3.18Å
459S95.7Very high95Very high4 Ų429.6 Ų29.63%0.02814%0.14CC..Hα-helixtrans-59-42.2-179.6-58.90000111.6Q455 A463Q455-S459 PolarHBondContact NE2-OG 3.36Å; Q455-S459 WeakPolarHBondContact O-CB 3.38Å; Q455-S459 PolarHBondContact O-N 3.37Å; Q455-S459 PolarHBondContact O-OG 3.43Å; S459-A463 VanDerWaalsContact O-CB 3.28Å; S459-A463 WeakPolarHBondContact O-CB 2.91Å; S459-A463 PolarHBondContact O-N 3.3Å
460A96.3Very high95Very high0 Ų033.6 Ų33.60%016%0.164CC..Hα-helixtrans-67.3-41.3178.900000112.7L58 A59 V456 L458 A463 A464L58-A460 HydrophobicContact CB-CB 3.77Å; L58-A460 HydrophobicContact CD2-CB 3.7Å; L58-A460 HydrophobicContact CG-CB 3.7Å; A59-A460 HydrophobicContact CB-CB 4.29Å; V456-A460 WeakPolarHBondContact O-CB 3.47Å; V456-A460 PolarHBondContact O-N 2.93Å; V456-A460 VanDerWaalsContact O-N 3.11Å; L458-A460 VanDerWaalsContact C-N 3.31Å; L458-A460 PolarHBondContact O-N 2.77Å; A460-A463 PolarHBondContact O-N 2.81Å; A460-A464 WeakPolarHBondContact O-CB 3.48Å; A460-A464 PolarHBondContact O-N 3.14Å
461A95.9Very high94.8Very high12 Ų1241.2 Ų41.210%0.09921%0.205CC..Hα-helixtrans-65.2-42.8177.100000111.8T87 Y392 L457 L458 A464 E465T87-A461 HydrophobicContact CG2-CB 4.06Å; T87-A461 WeakPolarHBondContact OG1-CB 3.47Å; Y392-A461 HydrophobicContact CE2-CB 4.44Å; L457-A461 WeakPolarHBondContact O-CB 3.49Å; L457-A461 PolarHBondContact O-N 3.4Å; L458-A461 PolarHBondContact O-N 2.9Å; A461-A464 PolarHBondContact O-N 3.03Å; A461-E465 WeakPolarHBondContact O-CB 3.26Å; A461-E465 PolarHBondContact O-N 3.17Å
462E94.9Very high94.7Very high116 Ų11645.4 Ų45.454%0.54223%0.229SC..Hα-helixtrans-64.3-44.9176.1-73-179.4-177.400111.6L458 A464 E465 V466L458-E462 WeakPolarHBondContact O-CG 3.43Å; L458-E462 PolarHBondContact O-N 3.18Å; E462-A464 PolarHBondContact O-N 3.1Å; E462-E465 PolarHBondContact O-N 3.08Å; E462-V466 VanDerWaalsContact O-CG2 3.29Å; E462-V466 WeakPolarHBondContact O-CG2 3.34Å; E462-V466 PolarHBondContact O-N 3.46Å
463A95.1Very high94.4Very high1 Ų149.6 Ų49.61%0.00825%0.25CS..Hα-helixtrans-57.3-48176.300000111.9L37 M40 A59 S459 A460 V466 I467L37-A463 HydrophobicContact CD2-CB 4.29Å; M40-A463 HydrophobicContact CB-CB 4.47Å; M40-A463 HydrophobicContact CG-CB 3.8Å; A59-A463 HydrophobicContact CB-CB 3.99Å; S459-A463 VanDerWaalsContact O-CB 3.28Å; S459-A463 WeakPolarHBondContact O-CB 2.91Å; S459-A463 PolarHBondContact O-N 3.3Å; A460-A463 PolarHBondContact O-N 2.81Å; A463-V466 PolarHBondContact O-N 2.91Å; A463-I467 WeakPolarHBondContact O-CG1 3.41Å; A463-I467 PolarHBondContact O-N 2.92Å; A463-I467 VanDerWaalsContact O-N 3.14Å
464A96Very high94.2Very high0 Ų056.4 Ų56.40%029%0.285CS..Hα-helixtrans-65.6-41179.100000111.4L62 L63 W83 A460 A461 E462 I467 L468L62-A464 HydrophobicContact CB-CB 3.77Å; L62-A464 HydrophobicContact CD1-CB 3.99Å; L63-A464 HydrophobicContact CD2-CB 4.31Å; L63-A464 HydrophobicContact CG-CB 4.26Å; W83-A464 HydrophobicContact CE3-CB 4.49Å; W83-A464 HydrophobicContact CH2-CB 4.48Å; W83-A464 HydrophobicContact CZ3-CB 3.77Å; A460-A464 WeakPolarHBondContact O-CB 3.48Å; A460-A464 PolarHBondContact O-N 3.14Å; A461-A464 PolarHBondContact O-N 3.03Å; E462-A464 PolarHBondContact O-N 3.1Å; A464-I467 PolarHBondContact O-N 3.28Å; A464-L468 WeakPolarHBondContact O-CB 3.48Å; A464-L468 PolarHBondContact O-N 3.41Å
465E95.5Very high93.8Very high33 Ų3361 Ų6115%0.15431%0.307CS..Hα-helixtrans-62.7-45.1175.7-178.6176.9154.500112I80 R84 A461 E462 I467 L468 R469I80-E465 HydrophobicContact CD1-CG 4.41Å; I80-E465 HydrophobicContact CG1-CG 4.24Å; I80-E465 HydrophobicContact CG2-CG 3.8Å; R84-E465 IonicContact CZ-OE1 3.29Å; R84-E465 VanDerWaalsContact CZ-OE1 3.29Å; R84-E465 IonicContact CZ-OE2 3.75Å; R84-E465 IonicContact NE-OE1 3.22Å; R84-E465 PolarHBondContact NE-OE1 2.89Å; R84-E465 IonicContact NE-OE2 2.96Å; R84-E465 PolarHBondContact NE-OE2 3.38Å; R84-E465 IonicContact NH2-OE1 2.67Å; R84-E465 PolarHBondContact NH2-OE1 3.26Å; R84-E465 IonicContact NH2-OE2 3.65Å; A461-E465 WeakPolarHBondContact O-CB 3.26Å; A461-E465 PolarHBondContact O-N 3.17Å; E462-E465 PolarHBondContact O-N 3.08Å; E465-I467 PolarHBondContact O-N 3.35Å; E465-L468 PolarHBondContact O-N 3.14Å; E465-R469 VanDerWaalsContact O-CG 3.25Å; E465-R469 WeakPolarHBondContact O-CG 3.48Å; E465-R469 PolarHBondContact O-N 2.91Å; E465-R469 VanDerWaalsContact O-N 3.09Å; E465-R469 IonicContact OE1-CZ 2.99Å; E465-R469 IonicContact OE1-NE 3.07Å; E465-R469 PolarHBondContact OE1-NE 3.44Å; E465-R469 IonicContact OE1-NH1 3.94Å; E465-R469 IonicContact OE1-NH2 2.62Å; E465-R469 PolarHBondContact OE1-NH2 3.42Å
466V94.7Very high93.4Very high77 Ų7763.9 Ų63.947%0.46734%0.337SS..Hα-helixtrans-59.5-47.9178.9168.10000110.5V36 E462 A463 R469V36-V466 HydrophobicContact CG1-CG1 4.33Å; E462-V466 VanDerWaalsContact O-CG2 3.29Å; E462-V466 WeakPolarHBondContact O-CG2 3.34Å; E462-V466 PolarHBondContact O-N 3.46Å; A463-V466 PolarHBondContact O-N 2.91Å; V466-R469 PolarHBondContact O-N 2.98Å
467I94.9Very high92.9Very high30 Ų3067.9 Ų67.915%0.15437%0.371CS..Hα-helixtrans-66.6-42-179.9-68.3166000110.8A33 V36 L37 L63 A463 A464 E465 R469 V470A33-I467 HydrophobicContact CB-CD1 4.44Å; A33-I467 HydrophobicContact CB-CG1 4.44Å; A33-I467 HydrophobicContact CB-CG2 4.45Å; V36-I467 HydrophobicContact CB-CD1 4.39Å; V36-I467 HydrophobicContact CB-CG1 4.44Å; V36-I467 HydrophobicContact CG1-CD1 4.34Å; V36-I467 HydrophobicContact CG1-CG1 4.32Å; L37-I467 HydrophobicContact CD2-CD1 4.2Å; L37-I467 HydrophobicContact CG-CD1 4.27Å; L63-I467 HydrophobicContact CD1-CB 4.21Å; L63-I467 HydrophobicContact CD1-CD1 3.67Å; L63-I467 HydrophobicContact CD1-CG2 3.97Å; L63-I467 HydrophobicContact CD2-CB 3.93Å; L63-I467 HydrophobicContact CD2-CG2 3.71Å; A463-I467 WeakPolarHBondContact O-CG1 3.41Å; A463-I467 PolarHBondContact O-N 2.92Å; A463-I467 VanDerWaalsContact O-N 3.14Å; A464-I467 PolarHBondContact O-N 3.28Å; E465-I467 PolarHBondContact O-N 3.35Å; I467-R469 PolarHBondContact O-N 3.44Å; I467-V470 PolarHBondContact O-N 3.36Å; I467-V470 VanDerWaalsContact O-N 3.13Å
468L94.1Very high92.2Very high19 Ų1973.6 Ų73.610%0.09941%0.408CS..Hα-helixtrans-65.6-23.7-179.1-174.858.7000113.6A66 I70 P76 I79 I80 W83 A464 E465A66-L468 HydrophobicContact CB-CD1 3.95Å; A66-L468 HydrophobicContact CB-CD2 4.25Å; I70-L468 HydrophobicContact CD1-CD1 3.76Å; P76-L468 HydrophobicContact CB-CD1 4.14Å; P76-L468 HydrophobicContact CB-CG 4.18Å; I79-L468 HydrophobicContact CB-CD2 4Å; I79-L468 HydrophobicContact CG2-CD2 3.72Å; I80-L468 HydrophobicContact CD1-CD2 4.39Å; I80-L468 HydrophobicContact CD1-CG 4.33Å; I80-L468 HydrophobicContact CG1-CD2 3.71Å; I80-L468 HydrophobicContact CG1-CG 4.18Å; W83-L468 HydrophobicContact CE3-CD2 4.2Å; W83-L468 HydrophobicContact CH2-CD2 4.23Å; W83-L468 HydrophobicContact CZ3-CD2 3.8Å; A464-L468 WeakPolarHBondContact O-CB 3.48Å; A464-L468 PolarHBondContact O-N 3.41Å; E465-L468 PolarHBondContact O-N 3.14Å
469R94.1Very high91.5Very high128 Ų12883.4 Ų83.448%0.48344%0.443SS..THydrogen-bonded Turntrans-78.2-16.4175.5-74.4171.2172.2-144.8-5.4114.1I80 E465 V466 I467 D471I80-R469 HydrophobicContact CD1-CG 3.51Å; E465-R469 VanDerWaalsContact O-CG 3.25Å; E465-R469 WeakPolarHBondContact O-CG 3.48Å; E465-R469 PolarHBondContact O-N 2.91Å; E465-R469 VanDerWaalsContact O-N 3.09Å; E465-R469 IonicContact OE1-CZ 2.99Å; E465-R469 IonicContact OE1-NE 3.07Å; E465-R469 PolarHBondContact OE1-NE 3.44Å; E465-R469 IonicContact OE1-NH1 3.94Å; E465-R469 IonicContact OE1-NH2 2.62Å; E465-R469 PolarHBondContact OE1-NH2 3.42Å; V466-R469 PolarHBondContact O-N 2.98Å; I467-R469 PolarHBondContact O-N 3.44Å; R469-D471 PolarHBondContact O-N 2.77Å
470V93Very high90.8Very high85 Ų8592.3 Ų92.352%0.51548%0.481SS..  trans-77.7108.3-176.6-179.80000109.9I467 N472 I473I467-V470 PolarHBondContact O-N 3.36Å; I467-V470 VanDerWaalsContact O-N 3.13Å; V470-N472 WeakPolarHBondContact CG1-O 3.49Å; V470-I473 HydrophobicContact CG1-CG1 4.17Å
471D91.5Very high90Very high164 Ų164104.2 Ų104.288%0.87753%0.526SS*.  trans-87.4-26.1176.2-169.728.7000112.8R469R469-D471 PolarHBondContact O-N 2.77Å
472N90.3Very high89.3Confident123 Ų123109 Ų10966%0.65855%0.554SS**  trans-144.1143.1-177.1-161.1-3000112.6V470V470-N472 WeakPolarHBondContact CG1-O 3.49Å
473I89Confident88.5Confident93 Ų93107.9 Ų107.948%0.47756%0.557SS.*  trans-115109.2177.5-57.2175.7000108.6P32 V470 K475P32-I473 HydrophobicContact CG-CG2 4.47Å; V470-I473 HydrophobicContact CG1-CG1 4.17Å; I473-K475 HydrophobicContact CG2-CG 4.21Å
474I90.2Very high87.7Confident155 Ų155114.6 Ų114.680%0.79559%0.592SS**  trans-95.2117.9176.8-57.4172.9000108.9
475K86.7Confident86.8Confident166 Ų166122.2 Ų122.272%0.72263%0.627SS**  trans-105.5123.5175.8-65.4-175.6-179.6-179.50110.3I473I473-K475 HydrophobicContact CG2-CG 4.21Å
476A87Confident85.7Confident96 Ų96127.8 Ų127.879%0.79365%0.653SS**PPolyproline II helixtrans-76.7143.2169.500000110.3
477A83.8Confident84.5Confident89 Ų89130 Ų13074%0.73667%0.67SS**PPolyproline II helixtrans-63.5143.2170.400000110R479A477-R479 PolarHBondContact O-N 3.46Å
478P80.9Confident83Confident121 Ų121138.3 Ų138.379%0.78673%0.728SS**PPolyproline II helixtrans-57.2140.5175.922.9-32000110.3K480P478-K480 PolarHBondContact O-N 2.98Å; P478-K480 VanDerWaalsContact O-N 3.11Å
479R82.9Confident82.5Confident240 Ų240144.3 Ų144.391%0.90676%0.759SS**PPolyproline II helixtrans-54.8120.2178.2-175.4178-178.7-1790.5108.9A477 R481A477-R479 PolarHBondContact O-N 3.46Å; R479-R481 PolarHBondContact O-N 3.42Å; R479-R481 VanDerWaalsContact O-N 3.11Å
480K79.9Confident81.9Confident191 Ų191145.1 Ų145.183%0.8377%0.773SS**PPolyproline II helixtrans-58119.1172.4-71-174.9178.4-1790108.1P478 V482P478-K480 PolarHBondContact O-N 2.98Å; P478-K480 VanDerWaalsContact O-N 3.11Å; K480-V482 PolarHBondContact O-N 3.14Å
481R80.4Confident81.3Confident249 Ų249148.4 Ų148.494%0.9479%0.788SS**  trans-67.2114168.2-69.2-175.1178.1-176.7-0.1106.8R479R479-R481 PolarHBondContact O-N 3.42Å; R479-R481 VanDerWaalsContact O-N 3.11Å
482V80.9Confident80.6Confident113 Ų113147.5 Ų147.569%0.68578%0.783SS**  trans-67.5140168.9-168.20000106.5K480 D484K480-V482 PolarHBondContact O-N 3.14Å; V482-D484 PolarHBondContact O-N 3.35Å
483P77.9Confident80Confident93 Ų93149.1 Ų149.160%0.60479%0.79SS**  trans-52.5132.8172-21.630.5000109.9H485P483-H485 PolarHBondContact O-CD2 3.22Å; P483-H485 PolarHBondContact O-N 3.16Å
484D78.9Confident79.4Confident142 Ų142152.8 Ų152.876%0.75981%0.811SS**  trans-63.2110171.2-102-29.8000108V482 H486V482-D484 PolarHBondContact O-N 3.35Å; D484-H486 PolarHBondContact O-N 2.93Å; D484-H486 IonicContact OD1-CD2 2.7Å
485H76.7Confident78.7Confident159 Ų159152.6 Ų152.674%0.73681%0.812SS**  trans-86.517.4174.6-71.7-62.3000112.3P483 P487P483-H485 PolarHBondContact O-CD2 3.22Å; P483-H485 PolarHBondContact O-N 3.16Å; H485-P487 WeakPolarHBondContact O-CD 3.4Å
486H71Confident78.1Confident150 Ų150151.6 Ų151.669%0.69482%0.819SS**  trans-67.4119.9171.2-74.4-65.6000108.8D484 C488D484-H486 PolarHBondContact O-N 2.93Å; D484-H486 IonicContact OD1-CD2 2.7Å; H486-C488 PolarHBondContact O-N 3.35Å
487P69.4Low77.3Confident125 Ų125156.3 Ų156.381%0.81282%0.822SS**  trans-60.5128170.54.23.1000108.3H485H485-P487 WeakPolarHBondContact O-CD 3.4Å
488C65.1Low76.7Confident203 Ų203162.4 Ų162.4100%1.37283%0.829SS**  trans-580170.3-56.10000111.9H486H486-C488 PolarHBondContact O-N 3.35Å

Retrieved 488 of 488 residues in 118.4 ms (Link to these results)

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