A0A087Y3A0_POEFO Loading...

Splicing factor 3B subunit 6

AlphaFold DB (A0A3B3VVN6), UniProt , Accession A0A087Y3A0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 125 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
1M46.5Very low51.9Low249 Ų249133.2 Ų133.2100%1.22775%0.748SS**  060.60-60.9-170.3-157.900111.4
2A42.2Very low53.6Low93 Ų93142.3 Ų142.377%0.76976%0.762SS**  trans-116.77-174.600000114.1
3M40.9Very low55.7Low179 Ų179134.3 Ų134.388%0.88272%0.719SS**SBendtrans-88.7-5.3-173.6-82-164.8176.500115.3
4Q52.1Low57.7Low159 Ų159129 Ų12974%0.74370%0.695SS**SBendtrans-98-19.8-171.3-144.616072.900114.3
5A52.9Low59.4Low80 Ų80126.8 Ų126.866%0.66169%0.691SS**SBendtrans-72.8-36.1179.300000113K7 R8A5-K7 PolarHBondContact O-N 3.37Å; A5-R8 PolarHBondContact O-N 3.38Å
6A48.2Very low60.8Low88 Ų88126.1 Ų126.173%0.72768%0.681SS**THydrogen-bonded Turntrans-73-20.2-174.400000114.7
7K51.8Low62.5Low177 Ų177119.5 Ų119.577%0.7765%0.646SS**THydrogen-bonded Turntrans-80.1-12.9176.3-86.8-172.7175.8-177.90114A5A5-K7 PolarHBondContact O-N 3.37Å
8R55.6Low64.1Low89 Ų89115.4 Ų115.434%0.33662%0.624SS.*G310 helixtrans-77.8-17.9-174.8-68.6-176.5172.7-162-6.3113.8A5 N10 D66 F68 D69A5-R8 PolarHBondContact O-N 3.38Å; R8-N10 VanDerWaalsContact C-N 3.34Å; R8-N10 PolarHBondContact O-N 3.36Å; R8-D66 IonicContact NH1-OD1 3.68Å; R8-D66 IonicContact NH1-OD2 3.42Å; R8-D66 PolarHBondContact NH1-OD2 3.23Å; R8-F68 HydrophobicContact CB-CD2 4.49Å; R8-F68 HydrophobicContact CB-CE2 4.15Å; R8-F68 HydrophobicContact CB-CZ 4.36Å; R8-F68 HydrophobicContact CG-CD2 4.44Å; R8-F68 WeakPolarHBondContact O-CZ 3.5Å; R8-D69 IonicContact CZ-OD1 3.66Å; R8-D69 IonicContact NH1-OD1 3.49Å; R8-D69 PolarHBondContact NH1-OD1 3.11Å; R8-D69 IonicContact NH2-OD1 2.86Å; R8-D69 PolarHBondContact NH2-OD1 2.87Å
9A56.5Low65.6Low90 Ų90116.2 Ų116.274%0.74462%0.617SS**G310 helixtrans-72.9-12.4-166.200000116.4
10N55.8Low67.1Low160 Ų160112.8 Ų112.886%0.85660%0.598SS**G310 helixtrans-130.912.5-174.3-104.3-20.5000115.2R8 R12R8-N10 VanDerWaalsContact C-N 3.34Å; R8-N10 PolarHBondContact O-N 3.36Å; N10-R12 PolarHBondContact O-N 3.49Å
11I68.8Low68.4Low101 Ų101107.4 Ų107.452%0.51857%0.57SS.*  trans-89.2102177.3-57.1172.7000108.1L13 F68I11-L13 HydrophobicContact CG2-CD2 4.25Å; I11-L13 PolarHBondContact O-N 3.42Å; I11-L13 VanDerWaalsContact O-N 3.11Å; I11-F68 HydrophobicContact CB-CE1 4.27Å
12R72.5Confident70.7Confident243 Ų24398.2 Ų98.292%0.91752%0.522SS*.  trans-66.5107.6167.4-80.4-177160.1-175.2-5.2108.6N10N10-R12 PolarHBondContact O-N 3.49Å
13L80.4Confident73.3Confident38 Ų3893.8 Ų93.820%0.19949%0.485CS..  trans-71.8144.2175.2-68.3174.4000110.3I11 V17 I67 F68 K71I11-L13 HydrophobicContact CG2-CD2 4.25Å; I11-L13 PolarHBondContact O-N 3.42Å; I11-L13 VanDerWaalsContact O-N 3.11Å; L13-V17 HydrophobicContact CB-CB 4.27Å; L13-V17 HydrophobicContact CB-CG2 4.37Å; L13-V17 HydrophobicContact CD1-CG1 4.19Å; L13-I67 HydrophobicContact CD1-CB 4.26Å; L13-I67 HydrophobicContact CD1-CD1 3.85Å; L13-I67 HydrophobicContact CD1-CG1 3.77Å; L13-I67 HydrophobicContact CD1-CG2 3.59Å; L13-F68 HydrophobicContact CD1-CD1 3.92Å; L13-F68 HydrophobicContact CD1-CE1 3.72Å; L13-F68 HydrophobicContact CD1-CZ 4.22Å; L13-F68 HydrophobicContact CD2-CD1 4.12Å; L13-F68 HydrophobicContact CD2-CE1 3.98Å; L13-F68 HydrophobicContact CG-CD1 4.32Å; L13-F68 HydrophobicContact CG-CE1 3.86Å; L13-K71 HydrophobicContact CD2-CD 3.67Å
14P84.2Confident75.8Confident60 Ų6091.4 Ų91.439%0.3947%0.466SS..  trans-53.4146.3171.8-25.633.7000111.3E16 V17P14-E16 HydrophobicContact CB-CG 4Å; P14-E16 PolarHBondContact O-N 2.92Å; P14-V17 HydrophobicContact CB-CG2 4.13Å; P14-V17 HydrophobicContact CG-CG2 4.23Å; P14-V17 WeakPolarHBondContact O-CB 3.45Å; P14-V17 PolarHBondContact O-N 3.46Å
15P82.3Confident77.7Confident96 Ų9686.7 Ų86.762%0.62345%0.446SS*.THydrogen-bonded Turntrans-65.2-13-174.927.2-36000114
16E82.8Confident79.6Confident116 Ų11683 Ų8354%0.54242%0.416SS..THydrogen-bonded Turntrans-81.1-19.4174.966.4-161.4109.900113.5P14 N18 Y91P14-E16 HydrophobicContact CB-CG 4Å; P14-E16 PolarHBondContact O-N 2.92Å; E16-N18 PolarHBondContact O-N 2.73Å; E16-Y91 HydrophobicContact CG-CD2 4.38Å; E16-Y91 WeakPolarHBondContact O-CB 3.27Å
17V89.1Confident81.7Confident14 Ų1479.5 Ų79.59%0.08539%0.385CS..  trans-69.8128.6-177.6-177.50000109.3L13 P14 I67 K71 Y91L13-V17 HydrophobicContact CB-CB 4.27Å; L13-V17 HydrophobicContact CB-CG2 4.37Å; L13-V17 HydrophobicContact CD1-CG1 4.19Å; P14-V17 HydrophobicContact CB-CG2 4.13Å; P14-V17 HydrophobicContact CG-CG2 4.23Å; P14-V17 WeakPolarHBondContact O-CB 3.45Å; P14-V17 PolarHBondContact O-N 3.46Å; V17-I67 HydrophobicContact CG1-CD1 4.12Å; V17-I67 HydrophobicContact CG1-CG1 3.78Å; V17-K71 HydrophobicContact CG1-CB 4.08Å; V17-Y91 HydrophobicContact CB-CE1 4.35Å; V17-Y91 HydrophobicContact CG1-CD1 4.41Å; V17-Y91 HydrophobicContact CG1-CE1 3.78Å; V17-Y91 HydrophobicContact CG2-CE2 4.02Å
18N90.9Very high83.5Confident45 Ų4577.3 Ų77.324%0.24137%0.373CS..  trans-133150.3-179.4-157.9-56.3000110.2E16 I20 A70E16-N18 PolarHBondContact O-N 2.73Å; N18-I20 PolarHBondContact O-N 3.35Å; N18-I20 PolarHBondContact OD1-N 2.93Å; N18-A70 WeakPolarHBondContact O-CB 3.45Å
19R93.5Very high85Confident130 Ų13082.1 Ų82.149%0.49140%0.396SS..SBendtrans-65.3-23.6170.7-74.6-174.8-70.2176.7-1.3112.9Y64 E65 I67R19-Y64 PolarHBondContact O-N 2.86Å; R19-E65 VanDerWaalsContact CD-O 3.23Å; R19-E65 WeakPolarHBondContact CD-O 3.25Å; R19-E65 PolarHBondContact NH1-O 2.85Å; R19-I67 HydrophobicContact CG-CB 3.69Å; R19-I67 HydrophobicContact CG-CG1 4.15Å
20I94.8Very high86.6Confident49 Ų4979.2 Ų79.225%0.25137%0.368SS..EExtended strand (participates in β ladder)trans-93121.5178.2-50.1174.5000108N18 Y61 V62 V63 Y92N18-I20 PolarHBondContact O-N 3.35Å; N18-I20 PolarHBondContact OD1-N 2.93Å; I20-Y61 HydrophobicContact CG2-CD1 4.19Å; I20-V62 CarbonylContact C-O 3.6Å; I20-V62 WeakPolarHBondContact CA-O 3.38Å; I20-V63 HydrophobicContact CG1-CG1 4.17Å; I20-V63 HydrophobicContact CG1-CG2 4.12Å; I20-V63 HydrophobicContact CG2-CG2 4.26Å; I20-Y92 HydrophobicContact CB-CG 4.1Å; I20-Y92 HydrophobicContact CD1-CD1 4.45Å; I20-Y92 HydrophobicContact CD1-CG 4.5Å; I20-Y92 HydrophobicContact CG2-CD2 4.05Å; I20-Y92 HydrophobicContact CG2-CG 3.96Å; I20-Y92 WeakPolarHBondContact O-CB 3.38Å; I20-Y92 PolarHBondContact O-N 3.06Å
21L95.4Very high88.2Confident0 Ų074.5 Ų74.50%035%0.345CS..EExtended strand (participates in β ladder)trans-102.1137.8171.7-56.1-174.2000109.9Y61 V62 Y64 A70 A73 C74 V89 L90 Y91L21-Y61 WeakPolarHBondContact O-CA 3.42Å; L21-V62 PolarHBondContact N-O 3.01Å; L21-V62 PolarHBondContact O-N 3.32Å; L21-Y64 HydrophobicContact CD1-CD2 4.32Å; L21-Y64 HydrophobicContact CD1-CE2 3.7Å; L21-Y64 HydrophobicContact CG-CD2 4.45Å; L21-Y64 HydrophobicContact CG-CE2 4.26Å; L21-A70 HydrophobicContact CD2-CB 4.22Å; L21-A70 HydrophobicContact CG-CB 4.35Å; L21-A73 HydrophobicContact CD1-CB 3.87Å; L21-C74 HydrophobicContact CD1-CB 4.34Å; L21-C74 HydrophobicContact CD2-CB 4.06Å; L21-V89 HydrophobicContact CB-CG1 4.11Å; L21-V89 HydrophobicContact CD1-CG1 3.79Å; L21-V89 HydrophobicContact CG-CG1 4.41Å; L21-L90 CarbonylContact C-O 3.58Å; L21-L90 WeakPolarHBondContact CA-O 3.15Å; L21-Y91 HydrophobicContact CD2-CD1 3.52Å; L21-Y91 HydrophobicContact CD2-CE1 3.75Å
22Y95.2Very high89.2Confident55 Ų5572.9 Ų72.922%0.21635%0.347CS..EExtended strand (participates in β ladder)trans-100.3116.7169.1178.7-129.2000109.5R24 T59 Y61 L90Y22-R24 HydrophobicContact CD1-CG 4.03Å; Y22-R24 HydrophobicContact CE1-CG 3.45Å; Y22-R24 VanDerWaalsContact CE1-CG 3.45Å; Y22-R24 HydrophobicContact CE2-CG 4.35Å; Y22-T59 HydrophobicContact CE2-CG2 4.27Å; Y22-T59 WeakPolarHBondContact OH-CG2 3.48Å; Y22-Y61 AromaticContact CD2-CD1 3.88Å; Y22-Y61 HydrophobicContact CD2-CD1 3.88Å; Y22-Y61 AromaticContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE2 4.45Å; Y22-Y61 AromaticContact CD2-CZ 3.71Å; Y22-Y61 HydrophobicContact CE2-CE1 4.16Å; Y22-Y61 HydrophobicContact CG-CD1 4.46Å; Y22-Y61 AromaticContact CG-CE1 3.91Å; Y22-Y61 HydrophobicContact CG-CE1 3.91Å; Y22-L90 HydrophobicContact CD1-CD1 4.41Å; Y22-L90 PolarHBondContact N-O 3.32Å; Y22-L90 PolarHBondContact O-N 3.08Å
23V94.8Very high90.1Very high0 Ų068.4 Ų68.40%034%0.337CS..EExtended strand (participates in β ladder)trans-106132.9-177.6-170.50000108.7L26 F39 T59 A60 V62 V88 V89V23-L26 HydrophobicContact CB-CD1 4.03Å; V23-L26 HydrophobicContact CB-CG 4.47Å; V23-L26 HydrophobicContact CG1-CD1 3.77Å; V23-L26 HydrophobicContact CG1-CD2 3.92Å; V23-L26 HydrophobicContact CG1-CG 3.69Å; V23-F39 HydrophobicContact CB-CZ 4.36Å; V23-F39 HydrophobicContact CG1-CZ 3.98Å; V23-F39 HydrophobicContact CG2-CE1 3.76Å; V23-F39 HydrophobicContact CG2-CE2 4.47Å; V23-F39 HydrophobicContact CG2-CZ 3.52Å; V23-T59 CarbonylContact O-C 3.59Å; V23-T59 WeakPolarHBondContact O-CA 3.41Å; V23-A60 HydrophobicContact CB-CB 4.46Å; V23-A60 PolarHBondContact N-O 3.03Å; V23-A60 PolarHBondContact O-N 2.93Å; V23-V62 HydrophobicContact CG2-CG2 3.98Å; V23-V88 CarbonylContact C-O 3.51Å; V23-V88 WeakPolarHBondContact CA-O 3.24Å; V23-V89 HydrophobicContact CG1-CG2 4.35Å
24R93.9Very high90.6Very high129 Ų12970.1 Ų70.149%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-124.3167.3174.4-55.6177.465.9-174.8-4.2110.8Y22 L26 T59 V88Y22-R24 HydrophobicContact CD1-CG 4.03Å; Y22-R24 HydrophobicContact CE1-CG 3.45Å; Y22-R24 VanDerWaalsContact CE1-CG 3.45Å; Y22-R24 HydrophobicContact CE2-CG 4.35Å; R24-L26 PolarHBondContact O-N 2.93Å; R24-T59 HydrophobicContact CG-CG2 4.38Å; R24-V88 HydrophobicContact CB-CB 4.19Å; R24-V88 PolarHBondContact N-O 3.48Å; R24-V88 PolarHBondContact O-N 3.46Å
25N93.2Very high91Very high60 Ų6067.3 Ų67.332%0.32133%0.325SS..SBendtrans64.526.1179.7-157.134.2000113.2G58 R85 Y86N25-G58 PolarHBondContact N-O 3.24Å; N25-G58 VanDerWaalsContact N-O 3.14Å; N25-R85 PolarHBondContact O-NE 2.84Å; N25-R85 VanDerWaalsContact OD1-CZ 3.25Å; N25-R85 PolarHBondContact OD1-NE 2.82Å; N25-R85 VanDerWaalsContact OD1-NE 3.09Å; N25-R85 PolarHBondContact OD1-NH2 3.04Å; N25-Y86 PolarHBondContact ND2-O 3.23Å
26L92.5Very high91.6Very high3 Ų368 Ų682%0.01632%0.316CS..  trans-67.8141.1176.3-77164.1000111V23 R24 Y28 I30 M35 G58 A60 R85 L87V23-L26 HydrophobicContact CB-CD1 4.03Å; V23-L26 HydrophobicContact CB-CG 4.47Å; V23-L26 HydrophobicContact CG1-CD1 3.77Å; V23-L26 HydrophobicContact CG1-CD2 3.92Å; V23-L26 HydrophobicContact CG1-CG 3.69Å; R24-L26 PolarHBondContact O-N 2.93Å; L26-Y28 PolarHBondContact O-N 2.65Å; L26-I30 HydrophobicContact CD2-CD1 3.95Å; L26-M35 HydrophobicContact CD1-CE 3.9Å; L26-M35 HydrophobicContact CD1-SD 4.16Å; L26-M35 HydrophobicContact CD2-CE 4.31Å; L26-M35 HydrophobicContact CD2-SD 3.7Å; L26-G58 PolarHBondContact N-O 3.47Å; L26-G58 WeakPolarHBondContact O-CA 3.23Å; L26-A60 HydrophobicContact CD1-CB 3.42Å; L26-A60 VanDerWaalsContact CD1-CB 3.42Å; L26-R85 PolarHBondContact O-NH1 3.22Å; L26-L87 HydrophobicContact CD2-CD1 4.21Å; L26-L87 HydrophobicContact CD2-CD2 3.59Å; L26-L87 HydrophobicContact CG-CD2 4.16Å
27P91.4Very high92.1Very high14 Ų1467.7 Ų67.79%0.09132%0.318CS..  trans-54.3136.5169-23.133000111.2K29 I30 V82 C83P27-K29 PolarHBondContact O-N 3.25Å; P27-K29 VanDerWaalsContact O-N 3.16Å; P27-I30 HydrophobicContact CB-CB 4.33Å; P27-I30 WeakPolarHBondContact O-CB 3.36Å; P27-I30 VanDerWaalsContact O-CG2 3.26Å; P27-I30 WeakPolarHBondContact O-CG2 3.43Å; P27-I30 PolarHBondContact O-N 3.02Å; P27-V82 HydrophobicContact CG-CB 4.13Å; P27-V82 HydrophobicContact CG-CG1 3.84Å; P27-V82 WeakPolarHBondContact CG-O 3.37Å; P27-C83 HydrophobicContact CB-CB 4.34Å; P27-C83 HydrophobicContact CG-CB 3.99Å
28Y89.4Confident92.2Very high131 Ų13168.2 Ų68.251%0.51432%0.32SS..THydrogen-bonded Turntrans-71.4-9.4-176.3-69.3-12.9000115L26 R57L26-Y28 PolarHBondContact O-N 2.65Å; Y28-R57 HydrophobicContact CD1-CG 3.83Å; Y28-R57 HydrophobicContact CE1-CG 4.12Å; Y28-R57 HydrophobicContact CG-CG 4.2Å; Y28-R57 PolarHBondContact O-NH2 2.9Å
29K87.9Confident92.4Very high190 Ų19066 Ų6683%0.82631%0.309SS*.THydrogen-bonded Turntrans-112.28.7179.1-64-173.4176.5-176.40112.2P27 T31P27-K29 PolarHBondContact O-N 3.25Å; P27-K29 VanDerWaalsContact O-N 3.16Å; K29-T31 PolarHBondContact O-N 3.12Å
30I89.3Confident92.4Very high30 Ų3061.5 Ų61.515%0.15430%0.302CS..  trans-62.9133.6-179.5-163162.7000110.1L26 P27 E34 M35 I38 V82L26-I30 HydrophobicContact CD2-CD1 3.95Å; P27-I30 HydrophobicContact CB-CB 4.33Å; P27-I30 WeakPolarHBondContact O-CB 3.36Å; P27-I30 VanDerWaalsContact O-CG2 3.26Å; P27-I30 WeakPolarHBondContact O-CG2 3.43Å; P27-I30 PolarHBondContact O-N 3.02Å; I30-E34 WeakPolarHBondContact CA-OE2 3.18Å; I30-E34 HydrophobicContact CD1-CB 4.43Å; I30-E34 HydrophobicContact CG1-CB 3.86Å; I30-M35 HydrophobicContact CD1-CG 4.12Å; I30-M35 HydrophobicContact CD1-SD 3.57Å; I30-M35 VanDerWaalsContact CD1-SD 3.57Å; I30-M35 HydrophobicContact CG1-CG 4.13Å; I30-M35 HydrophobicContact CG1-SD 4.2Å; I30-M35 HydrophobicContact CG2-CG 4.36Å; I30-M35 HydrophobicContact CG2-SD 4.25Å; I30-I38 HydrophobicContact CD1-CD1 4.24Å; I30-V82 HydrophobicContact CD1-CG1 4.26Å
31T90.7Very high92.3Very high60 Ų6067.3 Ų67.337%0.36833%0.326SS..  trans-86.4162.7179.272.90000111.2K29 E33 E34 M35K29-T31 PolarHBondContact O-N 3.12Å; T31-E33 VanDerWaalsContact C-N 3.25Å; T31-E33 PolarHBondContact O-N 3.39Å; T31-E34 PolarHBondContact N-OE2 3.49Å; T31-E34 PolarHBondContact O-N 3.19Å; T31-E34 WeakPolarHBondContact OG1-CG 3.19Å; T31-E34 PolarHBondContact OG1-N 2.89Å; T31-E34 VanDerWaalsContact OG1-N 3.16Å; T31-M35 WeakPolarHBondContact O-CG 3.3Å; T31-M35 PolarHBondContact O-N 3.43Å
32A88.9Confident92.3Very high68 Ų6869.8 Ų69.856%0.56234%0.335SS*.Hα-helixtrans-61.6-38.4173.500000111.2M35 Y36A32-M35 WeakPolarHBondContact O-CB 3.41Å; A32-M35 PolarHBondContact O-N 3.31Å; A32-Y36 WeakPolarHBondContact O-CD2 3.48Å; A32-Y36 PolarHBondContact O-N 2.95Å
33E91.4Very high92.2Very high148 Ų14867.9 Ų67.969%0.69233%0.332SS*.Hα-helixtrans-60.9-48.1178.2-63.9174.5114.900111.4T31 M35 Y36 D37T31-E33 VanDerWaalsContact C-N 3.25Å; T31-E33 PolarHBondContact O-N 3.39Å; E33-M35 VanDerWaalsContact C-N 3.26Å; E33-M35 PolarHBondContact O-N 3.21Å; E33-Y36 CarbonylContact O-C 3.54Å; E33-Y36 PolarHBondContact O-N 3.29Å; E33-D37 PolarHBondContact O-N 3.39Å
34E91.9Very high92.2Very high74 Ų7471.6 Ų71.635%0.34636%0.357SS..Hα-helixtrans-59.9-37.2176-70.8177.4124.800112.1I30 T31 D37 I38I30-E34 WeakPolarHBondContact CA-OE2 3.18Å; I30-E34 HydrophobicContact CD1-CB 4.43Å; I30-E34 HydrophobicContact CG1-CB 3.86Å; T31-E34 PolarHBondContact N-OE2 3.49Å; T31-E34 PolarHBondContact O-N 3.19Å; T31-E34 WeakPolarHBondContact OG1-CG 3.19Å; T31-E34 PolarHBondContact OG1-N 2.89Å; T31-E34 VanDerWaalsContact OG1-N 3.16Å; E34-D37 PolarHBondContact O-N 2.99Å; E34-I38 WeakPolarHBondContact O-CB 3.49Å; E34-I38 WeakPolarHBondContact O-CD1 3.41Å; E34-I38 WeakPolarHBondContact O-CG1 3.41Å; E34-I38 PolarHBondContact O-N 3.08Å
35M92.4Very high92.3Very high1 Ų166.9 Ų66.91%0.00534%0.341CS..Hα-helixtrans-64.1-44.7174.6-68.5-71.5-68.800111.2L26 I30 T31 A32 E33 D37 I38 F39 I48 A60 V62L26-M35 HydrophobicContact CD1-CE 3.9Å; L26-M35 HydrophobicContact CD1-SD 4.16Å; L26-M35 HydrophobicContact CD2-CE 4.31Å; L26-M35 HydrophobicContact CD2-SD 3.7Å; I30-M35 HydrophobicContact CD1-CG 4.12Å; I30-M35 HydrophobicContact CD1-SD 3.57Å; I30-M35 VanDerWaalsContact CD1-SD 3.57Å; I30-M35 HydrophobicContact CG1-CG 4.13Å; I30-M35 HydrophobicContact CG1-SD 4.2Å; I30-M35 HydrophobicContact CG2-CG 4.36Å; I30-M35 HydrophobicContact CG2-SD 4.25Å; T31-M35 WeakPolarHBondContact O-CG 3.3Å; T31-M35 PolarHBondContact O-N 3.43Å; A32-M35 WeakPolarHBondContact O-CB 3.41Å; A32-M35 PolarHBondContact O-N 3.31Å; E33-M35 VanDerWaalsContact C-N 3.26Å; E33-M35 PolarHBondContact O-N 3.21Å; M35-D37 VanDerWaalsContact C-N 3.32Å; M35-D37 PolarHBondContact O-N 3.04Å; M35-I38 PolarHBondContact O-N 2.97Å; M35-F39 HydrophobicContact CE-CD2 3.96Å; M35-F39 HydrophobicContact CE-CE2 3.53Å; M35-F39 HydrophobicContact CE-CZ 4.4Å; M35-F39 WeakPolarHBondContact O-CB 3.41Å; M35-F39 VanDerWaalsContact O-CD2 3.27Å; M35-F39 WeakPolarHBondContact O-CD2 3.47Å; M35-F39 PolarHBondContact O-N 3.19Å; M35-F39 HydrophobicContact SD-CD2 4.31Å; M35-F39 HydrophobicContact SD-CE2 3.85Å; M35-I48 HydrophobicContact CB-CD1 3.83Å; M35-I48 HydrophobicContact CB-CG2 4.49Å; M35-I48 HydrophobicContact CE-CG2 3.95Å; M35-A60 HydrophobicContact CE-CB 3.84Å; M35-V62 HydrophobicContact CE-CG2 4.11Å
36Y93.8Very high92.3Very high111 Ų11171.7 Ų71.744%0.43535%0.354SS..Hα-helixtrans-65-36175.4-80.4-76.2000112A32 E33 G40 I45 I48A32-Y36 WeakPolarHBondContact O-CD2 3.48Å; A32-Y36 PolarHBondContact O-N 2.95Å; E33-Y36 CarbonylContact O-C 3.54Å; E33-Y36 PolarHBondContact O-N 3.29Å; Y36-G40 WeakPolarHBondContact O-CA 3.47Å; Y36-G40 PolarHBondContact O-N 3.33Å; Y36-I45 HydrophobicContact CD1-CB 4.27Å; Y36-I45 HydrophobicContact CD1-CD1 3.86Å; Y36-I45 HydrophobicContact CD1-CG2 4.43Å; Y36-I45 HydrophobicContact CE1-CB 3.99Å; Y36-I45 HydrophobicContact CE1-CD1 4.28Å; Y36-I45 HydrophobicContact CE1-CG2 3.82Å; Y36-I48 HydrophobicContact CD1-CD1 3.96Å; Y36-I48 HydrophobicContact CD2-CD1 4.07Å; Y36-I48 HydrophobicContact CE1-CD1 3.91Å; Y36-I48 HydrophobicContact CE1-CG1 4.14Å; Y36-I48 HydrophobicContact CE2-CD1 4.02Å; Y36-I48 HydrophobicContact CE2-CG1 4.42Å; Y36-I48 HydrophobicContact CG-CD1 4.02Å
37D92.7Very high92.4Very high110 Ų11075.3 Ų75.359%0.58837%0.371SS*.Hα-helixtrans-69.1-37.1177.7-77.8-15.5000113.2E33 E34 M35 K41E33-D37 PolarHBondContact O-N 3.39Å; E34-D37 PolarHBondContact O-N 2.99Å; M35-D37 VanDerWaalsContact C-N 3.32Å; M35-D37 PolarHBondContact O-N 3.04Å; D37-K41 WeakPolarHBondContact O-CD 3.13Å; D37-K41 VanDerWaalsContact O-CE 3.31Å; D37-K41 WeakPolarHBondContact O-CE 3.47Å; D37-K41 VanDerWaalsContact O-CG 3.31Å; D37-K41 WeakPolarHBondContact O-CG 3.19Å
38I92.6Very high92.6Very high24 Ų2476 Ų7612%0.12337%0.374CS..Hα-helixtrans-75.6-52179.7-67164.1000110.5I30 E34 M35 Y42 L77 F80 V82I30-I38 HydrophobicContact CD1-CD1 4.24Å; E34-I38 WeakPolarHBondContact O-CB 3.49Å; E34-I38 WeakPolarHBondContact O-CD1 3.41Å; E34-I38 WeakPolarHBondContact O-CG1 3.41Å; E34-I38 PolarHBondContact O-N 3.08Å; M35-I38 PolarHBondContact O-N 2.97Å; I38-Y42 WeakPolarHBondContact O-CE2 3.41Å; I38-L77 HydrophobicContact CG2-CD1 4.12Å; I38-L77 HydrophobicContact CG2-CD2 3.67Å; I38-F80 HydrophobicContact CG2-CD1 4.41Å; I38-F80 HydrophobicContact CG2-CE1 4.39Å; I38-V82 HydrophobicContact CD1-CG1 4.24Å; I38-V82 HydrophobicContact CD1-CG2 3.97Å
39F94.6Very high92.8Very high0 Ų077.3 Ų77.30%038%0.378CS..Hα-helixtrans-81.8-32-173.8-70.1-84000111.8V23 M35 K41 Y42 I45 V62 Y64 L77V23-F39 HydrophobicContact CB-CZ 4.36Å; V23-F39 HydrophobicContact CG1-CZ 3.98Å; V23-F39 HydrophobicContact CG2-CE1 3.76Å; V23-F39 HydrophobicContact CG2-CE2 4.47Å; V23-F39 HydrophobicContact CG2-CZ 3.52Å; M35-F39 HydrophobicContact CE-CD2 3.96Å; M35-F39 HydrophobicContact CE-CE2 3.53Å; M35-F39 HydrophobicContact CE-CZ 4.4Å; M35-F39 WeakPolarHBondContact O-CB 3.41Å; M35-F39 VanDerWaalsContact O-CD2 3.27Å; M35-F39 WeakPolarHBondContact O-CD2 3.47Å; M35-F39 PolarHBondContact O-N 3.19Å; M35-F39 HydrophobicContact SD-CD2 4.31Å; M35-F39 HydrophobicContact SD-CE2 3.85Å; F39-K41 PolarHBondContact O-N 3.34Å; F39-Y42 PolarHBondContact O-N 3.02Å; F39-I45 HydrophobicContact CB-CD1 3.54Å; F39-V62 HydrophobicContact CB-CG1 4.11Å; F39-V62 HydrophobicContact CD1-CB 4.37Å; F39-V62 HydrophobicContact CD1-CG1 4.05Å; F39-V62 HydrophobicContact CD1-CG2 4.05Å; F39-V62 HydrophobicContact CD2-CG2 4.15Å; F39-V62 HydrophobicContact CE1-CG2 4.1Å; F39-V62 HydrophobicContact CE2-CG2 4.22Å; F39-V62 HydrophobicContact CG-CG1 4.09Å; F39-V62 HydrophobicContact CG-CG2 4.1Å; F39-V62 HydrophobicContact CZ-CG2 4.22Å; F39-Y64 WeakPolarHBondContact CA-OH 3.43Å; F39-Y64 WeakPolarHBondContact CB-OH 3.15Å; F39-Y64 WeakPolarHBondContact CD1-OH 3.14Å; F39-Y64 WeakPolarHBondContact O-CE1 3.47Å; F39-Y64 PolarHBondContact O-OH 3.36Å; F39-L77 HydrophobicContact CD1-CD1 3.4Å; F39-L77 VanDerWaalsContact CD1-CD1 3.4Å; F39-L77 HydrophobicContact CE1-CD1 3.44Å; F39-L77 VanDerWaalsContact CE1-CD1 3.44Å; F39-L77 HydrophobicContact CG-CD1 4.12Å; F39-L77 HydrophobicContact CZ-CD1 4.18Å
40G93.9Very high93Very high34 Ų3472.1 Ų72.135%0.35136%0.362SS..G310 helixtrans-68.3-19-176.600000113.8Y36 Y42 G43Y36-G40 WeakPolarHBondContact O-CA 3.47Å; Y36-G40 PolarHBondContact O-N 3.33Å; G40-Y42 PolarHBondContact O-N 2.96Å; G40-G43 PolarHBondContact O-N 3.08Å
41K93.3Very high93Very high172 Ų17271.6 Ų71.675%0.74836%0.364SS*.G310 helixtrans-59.9-24.7173.2-77173.1-176.4-179.30113.8D37 F39D37-K41 WeakPolarHBondContact O-CD 3.13Å; D37-K41 VanDerWaalsContact O-CE 3.31Å; D37-K41 WeakPolarHBondContact O-CE 3.47Å; D37-K41 VanDerWaalsContact O-CG 3.31Å; D37-K41 WeakPolarHBondContact O-CG 3.19Å; F39-K41 PolarHBondContact O-N 3.34Å
42Y94Very high92.8Very high52 Ų5275.7 Ų75.720%0.20438%0.384CS..G310 helixtrans-95.6-17.4-176.2-61.3-85.2000113.3I38 F39 G40 D69 N72 A73 H76 L77I38-Y42 WeakPolarHBondContact O-CE2 3.41Å; F39-Y42 PolarHBondContact O-N 3.02Å; G40-Y42 PolarHBondContact O-N 2.96Å; Y42-D69 WeakPolarHBondContact O-CB 3.32Å; Y42-N72 HydrophobicContact CD1-CB 4.45Å; Y42-A73 HydrophobicContact CD1-CB 4.39Å; Y42-A73 HydrophobicContact CD2-CB 4.01Å; Y42-A73 HydrophobicContact CG-CB 3.8Å; Y42-H76 HydrophobicContact CE1-CB 3.62Å; Y42-H76 WeakPolarHBondContact OH-CB 3.4Å; Y42-L77 HydrophobicContact CD2-CD1 3.92Å; Y42-L77 HydrophobicContact CD2-CG 4.28Å; Y42-L77 HydrophobicContact CE2-CD1 3.56Å; Y42-L77 HydrophobicContact CE2-CD2 3.65Å; Y42-L77 HydrophobicContact CE2-CG 3.49Å; Y42-L77 VanDerWaalsContact CE2-CG 3.49Å
43G93.2Very high92.8Very high14 Ų1475.4 Ų75.414%0.14438%0.375CS..SBendtrans160.6174.1178.900000113.5G40 I45G40-G43 PolarHBondContact O-N 3.08Å; G43-I45 PolarHBondContact O-N 3.36Å
44P94.9Very high92.6Very high79 Ų7974.5 Ų74.551%0.51338%0.382SS..  trans-62.8125.6178.624.1-32.1000111.8E65P44-E65 HydrophobicContact CB-CB 4.47Å; P44-E65 HydrophobicContact CB-CG 4.27Å; P44-E65 HydrophobicContact CG-CB 4.13Å; P44-E65 HydrophobicContact CG-CG 4.45Å; P44-E65 PolarHBondContact O-N 3.32Å; P44-E65 VanDerWaalsContact O-N 3.08Å
45I95.4Very high92.2Very high30 Ų3078 Ų7815%0.15440%0.398CS..EExtended strand (participates in β ladder)trans-90.9127.7178-61-179000109.3Y36 F39 G43 I48 V62 Y64Y36-I45 HydrophobicContact CD1-CB 4.27Å; Y36-I45 HydrophobicContact CD1-CD1 3.86Å; Y36-I45 HydrophobicContact CD1-CG2 4.43Å; Y36-I45 HydrophobicContact CE1-CB 3.99Å; Y36-I45 HydrophobicContact CE1-CD1 4.28Å; Y36-I45 HydrophobicContact CE1-CG2 3.82Å; F39-I45 HydrophobicContact CB-CD1 3.54Å; G43-I45 PolarHBondContact O-N 3.36Å; I45-I48 HydrophobicContact CD1-CD1 3.86Å; I45-I48 HydrophobicContact CD1-CG1 4.41Å; I45-I48 HydrophobicContact CG2-CD1 4.16Å; I45-I48 HydrophobicContact CG2-CG1 3.61Å; I45-V62 HydrophobicContact CD1-CG1 4.45Å; I45-V62 HydrophobicContact CG2-CG1 4.45Å; I45-Y64 HydrophobicContact CG1-CD1 4.31Å; I45-Y64 HydrophobicContact CG1-CE1 4.03Å
46R94.9Very high92Very high161 Ų16180.2 Ų80.261%0.60841%0.412SS*.EExtended strand (participates in β ladder)trans-80.1-45173.9-177.6166-176.476.13.1112.2V63 E65R46-V63 WeakPolarHBondContact CA-O 3.48Å; R46-V63 HydrophobicContact CB-CB 4.28Å; R46-V63 HydrophobicContact CB-CG1 4.03Å; R46-V63 WeakPolarHBondContact CB-O 3.31Å; R46-V63 HydrophobicContact CG-CG1 4.42Å; R46-V63 PolarHBondContact N-O 2.89Å; R46-E65 HydrophobicContact CB-CG 4.17Å; R46-E65 WeakPolarHBondContact CB-OE1 3.3Å; R46-E65 WeakPolarHBondContact CD-OE1 3.42Å; R46-E65 VanDerWaalsContact CG-OE1 3.3Å; R46-E65 WeakPolarHBondContact CG-OE1 3.27Å; R46-E65 IonicContact CZ-OE1 3.84Å; R46-E65 IonicContact NH1-OE1 2.65Å; R46-E65 PolarHBondContact NH1-OE1 3.46Å; R46-E65 IonicContact NH1-OE2 3.11Å
47Q94.4Very high91.8Very high78 Ų7881.2 Ų81.236%0.36442%0.415SS..EExtended strand (participates in β ladder)trans-160.6142.2-179.1-172169.823.800111.8R49 V63Q47-R49 VanDerWaalsContact CD-NE 3.34Å; Q47-R49 HydrophobicContact CG-CG 4.16Å; Q47-V63 HydrophobicContact CB-CB 4.3Å; Q47-V63 HydrophobicContact CB-CG2 4.33Å; Q47-V63 PolarHBondContact N-O 3.22Å; Q47-V63 PolarHBondContact O-N 3.48Å
48I94.6Very high91.7Very high29 Ų2976.5 Ų76.515%0.14939%0.393CS..EExtended strand (participates in β ladder)trans-116.6132.5165.8-50.7-175000108.9M35 Y36 I45 T50 Y61 V62M35-I48 HydrophobicContact CB-CD1 3.83Å; M35-I48 HydrophobicContact CB-CG2 4.49Å; M35-I48 HydrophobicContact CE-CG2 3.95Å; Y36-I48 HydrophobicContact CD1-CD1 3.96Å; Y36-I48 HydrophobicContact CD2-CD1 4.07Å; Y36-I48 HydrophobicContact CE1-CD1 3.91Å; Y36-I48 HydrophobicContact CE1-CG1 4.14Å; Y36-I48 HydrophobicContact CE2-CD1 4.02Å; Y36-I48 HydrophobicContact CE2-CG1 4.42Å; Y36-I48 HydrophobicContact CG-CD1 4.02Å; I45-I48 HydrophobicContact CD1-CD1 3.86Å; I45-I48 HydrophobicContact CD1-CG1 4.41Å; I45-I48 HydrophobicContact CG2-CD1 4.16Å; I45-I48 HydrophobicContact CG2-CG1 3.61Å; I48-T50 HydrophobicContact CG2-CG2 4.46Å; I48-Y61 WeakPolarHBondContact CA-O 3.43Å; I48-V62 HydrophobicContact CG1-CG1 4.42Å; I48-V62 HydrophobicContact CG2-CG2 4.26Å
49R93.1Very high91.8Very high158 Ų15876.5 Ų76.560%0.59639%0.394SS*.EExtended strand (participates in β ladder)trans-126113.1171.8-65.9-171.9-175-156.52.5109.9Q47 A60 Y61Q47-R49 VanDerWaalsContact CD-NE 3.34Å; Q47-R49 HydrophobicContact CG-CG 4.16Å; R49-A60 CarbonylContact O-C 3.51Å; R49-A60 VanDerWaalsContact O-CA 3.24Å; R49-A60 WeakPolarHBondContact O-CA 3.31Å; R49-Y61 PolarHBondContact N-O 2.77Å; R49-Y61 PolarHBondContact O-N 3.37Å
50T92.5Very high91.8Very high81 Ų8176.5 Ų76.550%0.49739%0.394SS..EExtended strand (participates in β ladder)trans-90139.6175.352.50000110.9I48 N52 A60I48-T50 HydrophobicContact CG2-CG2 4.46Å; T50-N52 PolarHBondContact O-N 2.76Å; T50-A60 HydrophobicContact CG2-CB 4.2Å
51G89.3Confident91.8Very high20 Ų2078.5 Ų78.521%0.20639%0.392CS..  trans-67.2124.3172.700000111.3T56 T59G51-T56 VanDerWaalsContact CA-OG1 3.3Å; G51-T56 WeakPolarHBondContact CA-OG1 3.32Å; G51-T59 PolarHBondContact N-O 3.47Å
52N87.2Confident92Very high146 Ų14670.3 Ų70.378%0.78136%0.356SS*.  trans-106.7-12.8-17763.2-6.2000113.4T50 T56T50-N52 PolarHBondContact O-N 2.76Å; N52-T56 PolarHBondContact N-OG1 3.4Å
53T88.4Confident92.1Very high62 Ų6269.3 Ų69.338%0.3836%0.355SS..SBendtrans-84.9156.4178.266.20000111E55 T56 R57T53-E55 PolarHBondContact O-N 2.9Å; T53-E55 VanDerWaalsContact O-N 3.08Å; T53-T56 PolarHBondContact N-OG1 2.92Å; T53-T56 PolarHBondContact O-N 2.88Å; T53-T56 PolarHBondContact O-OG1 3.39Å; T53-T56 WeakPolarHBondContact OG1-CG2 3.37Å; T53-T56 PolarHBondContact OG1-N 3.27Å; T53-T56 PolarHBondContact OG1-OG1 2.9Å; T53-R57 WeakPolarHBondContact O-CB 3.4Å; T53-R57 PolarHBondContact O-N 2.86Å
54P86.6Confident92.2Very high129 Ų12968.6 Ų68.684%0.83835%0.348SS*.THydrogen-bonded Turntrans-52.3-33.9176.6-27.234.9000113.6
55E85.1Confident92.1Very high146 Ų14668.9 Ų68.968%0.68234%0.343SS*.THydrogen-bonded Turntrans-78.8-24.9179.4-64.5-176.4-150.300114.9T53 K100T53-E55 PolarHBondContact O-N 2.9Å; T53-E55 VanDerWaalsContact O-N 3.08Å; E55-K100 IonicContact OE2-NZ 3.87Å; E55-K100 PolarHBondContact OE2-NZ 3.44Å
56T87.8Confident92Very high49 Ų4969.8 Ų69.830%0.30135%0.348SS..THydrogen-bonded Turntrans-109.4-6.8-175.8610000112.5G51 N52 T53 G58 T59G51-T56 VanDerWaalsContact CA-OG1 3.3Å; G51-T56 WeakPolarHBondContact CA-OG1 3.32Å; N52-T56 PolarHBondContact N-OG1 3.4Å; T53-T56 PolarHBondContact N-OG1 2.92Å; T53-T56 PolarHBondContact O-N 2.88Å; T53-T56 PolarHBondContact O-OG1 3.39Å; T53-T56 WeakPolarHBondContact OG1-CG2 3.37Å; T53-T56 PolarHBondContact OG1-N 3.27Å; T53-T56 PolarHBondContact OG1-OG1 2.9Å; T56-G58 PolarHBondContact O-N 2.79Å; T56-T59 WeakPolarHBondContact O-CB 3.38Å; T56-T59 PolarHBondContact O-N 3.46Å; T56-T59 PolarHBondContact O-OG1 3.49Å
57R89.7Confident91.8Very high131 Ų13164.7 Ų64.749%0.49433%0.332SS..THydrogen-bonded Turntrans-57.5133.7178.8-165.3178.5-177.4-1781.1110.7Y28 T53 T59Y28-R57 HydrophobicContact CD1-CG 3.83Å; Y28-R57 HydrophobicContact CE1-CG 4.12Å; Y28-R57 HydrophobicContact CG-CG 4.2Å; Y28-R57 PolarHBondContact O-NH2 2.9Å; T53-R57 WeakPolarHBondContact O-CB 3.4Å; T53-R57 PolarHBondContact O-N 2.86Å; R57-T59 VanDerWaalsContact C-N 3.3Å
58G90.1Very high91.7Very high11 Ų1163.2 Ų63.211%0.11333%0.325CS..THydrogen-bonded Turntrans79.812.8-174.600000114.1N25 L26 T56N25-G58 PolarHBondContact N-O 3.24Å; N25-G58 VanDerWaalsContact N-O 3.14Å; L26-G58 PolarHBondContact N-O 3.47Å; L26-G58 WeakPolarHBondContact O-CA 3.23Å; T56-G58 PolarHBondContact O-N 2.79Å
59T94Very high91.7Very high24 Ų2462.7 Ų62.715%0.14732%0.322CS..EExtended strand (participates in β ladder)trans-119.9153166.374.30000110.7Y22 V23 R24 G51 T56 R57Y22-T59 HydrophobicContact CE2-CG2 4.27Å; Y22-T59 WeakPolarHBondContact OH-CG2 3.48Å; V23-T59 CarbonylContact O-C 3.59Å; V23-T59 WeakPolarHBondContact O-CA 3.41Å; R24-T59 HydrophobicContact CG-CG2 4.38Å; G51-T59 PolarHBondContact N-O 3.47Å; T56-T59 WeakPolarHBondContact O-CB 3.38Å; T56-T59 PolarHBondContact O-N 3.46Å; T56-T59 PolarHBondContact O-OG1 3.49Å; R57-T59 VanDerWaalsContact C-N 3.3Å
60A94.8Very high91.7Very high1 Ų155.1 Ų55.11%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-148.4155.2175.300000111.3V23 L26 M35 R49 T50V23-A60 HydrophobicContact CB-CB 4.46Å; V23-A60 PolarHBondContact N-O 3.03Å; V23-A60 PolarHBondContact O-N 2.93Å; L26-A60 HydrophobicContact CD1-CB 3.42Å; L26-A60 VanDerWaalsContact CD1-CB 3.42Å; M35-A60 HydrophobicContact CE-CB 3.84Å; R49-A60 CarbonylContact O-C 3.51Å; R49-A60 VanDerWaalsContact O-CA 3.24Å; R49-A60 WeakPolarHBondContact O-CA 3.31Å; T50-A60 HydrophobicContact CG2-CB 4.2Å
61Y95.5Very high91.8Very high75 Ų7554.4 Ų54.429%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-108124.7165.3-66.2-73.1000109.3I20 L21 Y22 I48 R49 Y92I20-Y61 HydrophobicContact CG2-CD1 4.19Å; L21-Y61 WeakPolarHBondContact O-CA 3.42Å; Y22-Y61 AromaticContact CD2-CD1 3.88Å; Y22-Y61 HydrophobicContact CD2-CD1 3.88Å; Y22-Y61 AromaticContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE1 3.37Å; Y22-Y61 HydrophobicContact CD2-CE2 4.45Å; Y22-Y61 AromaticContact CD2-CZ 3.71Å; Y22-Y61 HydrophobicContact CE2-CE1 4.16Å; Y22-Y61 HydrophobicContact CG-CD1 4.46Å; Y22-Y61 AromaticContact CG-CE1 3.91Å; Y22-Y61 HydrophobicContact CG-CE1 3.91Å; I48-Y61 WeakPolarHBondContact CA-O 3.43Å; R49-Y61 PolarHBondContact N-O 2.77Å; R49-Y61 PolarHBondContact O-N 3.37Å; Y61-Y92 HydrophobicContact CD1-CD2 4.04Å; Y61-Y92 AromaticContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CE2 4.03Å
62V95.8Very high92Very high0 Ų056.7 Ų56.70%029%0.291CS..EExtended strand (participates in β ladder)trans-113.2122.7176.5-178.80000107.7I20 L21 V23 M35 F39 I45 I48 Y64I20-V62 CarbonylContact C-O 3.6Å; I20-V62 WeakPolarHBondContact CA-O 3.38Å; L21-V62 PolarHBondContact N-O 3.01Å; L21-V62 PolarHBondContact O-N 3.32Å; V23-V62 HydrophobicContact CG2-CG2 3.98Å; M35-V62 HydrophobicContact CE-CG2 4.11Å; F39-V62 HydrophobicContact CB-CG1 4.11Å; F39-V62 HydrophobicContact CD1-CB 4.37Å; F39-V62 HydrophobicContact CD1-CG1 4.05Å; F39-V62 HydrophobicContact CD1-CG2 4.05Å; F39-V62 HydrophobicContact CD2-CG2 4.15Å; F39-V62 HydrophobicContact CE1-CG2 4.1Å; F39-V62 HydrophobicContact CE2-CG2 4.22Å; F39-V62 HydrophobicContact CG-CG1 4.09Å; F39-V62 HydrophobicContact CG-CG2 4.1Å; F39-V62 HydrophobicContact CZ-CG2 4.22Å; I45-V62 HydrophobicContact CD1-CG1 4.45Å; I45-V62 HydrophobicContact CG2-CG1 4.45Å; I48-V62 HydrophobicContact CG1-CG1 4.42Å; I48-V62 HydrophobicContact CG2-CG2 4.26Å; V62-Y64 HydrophobicContact CG1-CD2 4.21Å; V62-Y64 HydrophobicContact CG1-CE2 3.73Å
63V96Very high92.3Very high31 Ų3149.8 Ų49.819%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-109.3118.3-179.8-171.50000108.2I20 R46 Q47I20-V63 HydrophobicContact CG1-CG1 4.17Å; I20-V63 HydrophobicContact CG1-CG2 4.12Å; I20-V63 HydrophobicContact CG2-CG2 4.26Å; R46-V63 WeakPolarHBondContact CA-O 3.48Å; R46-V63 HydrophobicContact CB-CB 4.28Å; R46-V63 HydrophobicContact CB-CG1 4.03Å; R46-V63 WeakPolarHBondContact CB-O 3.31Å; R46-V63 HydrophobicContact CG-CG1 4.42Å; R46-V63 PolarHBondContact N-O 2.89Å; Q47-V63 HydrophobicContact CB-CB 4.3Å; Q47-V63 HydrophobicContact CB-CG2 4.33Å; Q47-V63 PolarHBondContact N-O 3.22Å; Q47-V63 PolarHBondContact O-N 3.48Å
64Y96.5Very high92.6Very high0 Ų047.4 Ų47.40%024%0.24CC..EExtended strand (participates in β ladder)trans-89.2155.7170.5-71.2-90.6000111.3R19 L21 F39 I45 V62 D66 D69 A70 A73R19-Y64 PolarHBondContact O-N 2.86Å; L21-Y64 HydrophobicContact CD1-CD2 4.32Å; L21-Y64 HydrophobicContact CD1-CE2 3.7Å; L21-Y64 HydrophobicContact CG-CD2 4.45Å; L21-Y64 HydrophobicContact CG-CE2 4.26Å; F39-Y64 WeakPolarHBondContact CA-OH 3.43Å; F39-Y64 WeakPolarHBondContact CB-OH 3.15Å; F39-Y64 WeakPolarHBondContact CD1-OH 3.14Å; F39-Y64 WeakPolarHBondContact O-CE1 3.47Å; F39-Y64 PolarHBondContact O-OH 3.36Å; I45-Y64 HydrophobicContact CG1-CD1 4.31Å; I45-Y64 HydrophobicContact CG1-CE1 4.03Å; V62-Y64 HydrophobicContact CG1-CD2 4.21Å; V62-Y64 HydrophobicContact CG1-CE2 3.73Å; Y64-D66 WeakPolarHBondContact CB-O 3.46Å; Y64-D69 HydrophobicContact CD1-CB 4.22Å; Y64-A70 HydrophobicContact CD2-CB 3.7Å; Y64-A70 HydrophobicContact CE2-CB 4.47Å; Y64-A70 HydrophobicContact CG-CB 4.12Å; Y64-A73 HydrophobicContact CE2-CB 3.87Å; Y64-A73 WeakPolarHBondContact OH-CB 3.33Å
65E93.5Very high92.8Very high84 Ų8445.4 Ų45.439%0.39322%0.222SC..SBendtrans-67.4-42.8169.6-73.1-71.815000110.9R19 P44 R46R19-E65 VanDerWaalsContact CD-O 3.23Å; R19-E65 WeakPolarHBondContact CD-O 3.25Å; R19-E65 PolarHBondContact NH1-O 2.85Å; P44-E65 HydrophobicContact CB-CB 4.47Å; P44-E65 HydrophobicContact CB-CG 4.27Å; P44-E65 HydrophobicContact CG-CB 4.13Å; P44-E65 HydrophobicContact CG-CG 4.45Å; P44-E65 PolarHBondContact O-N 3.32Å; P44-E65 VanDerWaalsContact O-N 3.08Å; R46-E65 HydrophobicContact CB-CG 4.17Å; R46-E65 WeakPolarHBondContact CB-OE1 3.3Å; R46-E65 WeakPolarHBondContact CD-OE1 3.42Å; R46-E65 VanDerWaalsContact CG-OE1 3.3Å; R46-E65 WeakPolarHBondContact CG-OE1 3.27Å; R46-E65 IonicContact CZ-OE1 3.84Å; R46-E65 IonicContact NH1-OE1 2.65Å; R46-E65 PolarHBondContact NH1-OE1 3.46Å; R46-E65 IonicContact NH1-OE2 3.11Å
66D92.2Very high93.2Very high49 Ų4943.7 Ų43.726%0.26221%0.214SC..SBendtrans-108.8142.8-176.4-170.7-67.8000112.5R8 Y64 F68 D69 A70R8-D66 IonicContact NH1-OD1 3.68Å; R8-D66 IonicContact NH1-OD2 3.42Å; R8-D66 PolarHBondContact NH1-OD2 3.23Å; Y64-D66 WeakPolarHBondContact CB-O 3.46Å; D66-F68 WeakPolarHBondContact OD1-CA 3.34Å; D66-F68 VanDerWaalsContact OD1-CB 3.25Å; D66-F68 WeakPolarHBondContact OD1-CB 3.45Å; D66-F68 VanDerWaalsContact OD1-CD2 3.27Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.42Å; D66-F68 PolarHBondContact OD1-N 2.9Å; D66-D69 HydrophobicContact CB-CB 4.25Å; D66-D69 WeakPolarHBondContact CB-OD2 3.16Å; D66-D69 PolarHBondContact OD1-N 2.79Å; D66-A70 PolarHBondContact O-N 3.37Å
67I91.7Very high93.4Very high54 Ų5441.5 Ų41.528%0.27720%0.2SC..Hα-helixtrans-76.1-31.6-177.5-167.5170.1000113.4L13 V17 R19 D69 K71L13-I67 HydrophobicContact CD1-CB 4.26Å; L13-I67 HydrophobicContact CD1-CD1 3.85Å; L13-I67 HydrophobicContact CD1-CG1 3.77Å; L13-I67 HydrophobicContact CD1-CG2 3.59Å; V17-I67 HydrophobicContact CG1-CD1 4.12Å; V17-I67 HydrophobicContact CG1-CG1 3.78Å; R19-I67 HydrophobicContact CG-CB 3.69Å; R19-I67 HydrophobicContact CG-CG1 4.15Å; I67-D69 VanDerWaalsContact C-N 3.33Å; I67-K71 PolarHBondContact O-N 3.03Å
68F91.8Very high93.5Very high48 Ų4838.4 Ų38.421%0.21120%0.199CC..Hα-helixtrans-70.3-35.2176.4-60.3-76.4000111R8 I11 L13 D66 K71 N72R8-F68 HydrophobicContact CB-CD2 4.49Å; R8-F68 HydrophobicContact CB-CE2 4.15Å; R8-F68 HydrophobicContact CB-CZ 4.36Å; R8-F68 HydrophobicContact CG-CD2 4.44Å; R8-F68 WeakPolarHBondContact O-CZ 3.5Å; I11-F68 HydrophobicContact CB-CE1 4.27Å; L13-F68 HydrophobicContact CD1-CD1 3.92Å; L13-F68 HydrophobicContact CD1-CE1 3.72Å; L13-F68 HydrophobicContact CD1-CZ 4.22Å; L13-F68 HydrophobicContact CD2-CD1 4.12Å; L13-F68 HydrophobicContact CD2-CE1 3.98Å; L13-F68 HydrophobicContact CG-CD1 4.32Å; L13-F68 HydrophobicContact CG-CE1 3.86Å; D66-F68 WeakPolarHBondContact OD1-CA 3.34Å; D66-F68 VanDerWaalsContact OD1-CB 3.25Å; D66-F68 WeakPolarHBondContact OD1-CB 3.45Å; D66-F68 VanDerWaalsContact OD1-CD2 3.27Å; D66-F68 WeakPolarHBondContact OD1-CD2 3.42Å; D66-F68 PolarHBondContact OD1-N 2.9Å; F68-K71 WeakPolarHBondContact O-CB 3.38Å; F68-K71 PolarHBondContact O-N 2.97Å; F68-N72 WeakPolarHBondContact O-CB 3.46Å; F68-N72 PolarHBondContact O-N 2.88Å
69D94.2Very high93.5Very high17 Ų1740 Ų409%0.09121%0.214CC..Hα-helixtrans-68.8-42.3176.7-61.3-8.2000110.4R8 Y42 Y64 D66 I67 K71 N72 A73R8-D69 IonicContact CZ-OD1 3.66Å; R8-D69 IonicContact NH1-OD1 3.49Å; R8-D69 PolarHBondContact NH1-OD1 3.11Å; R8-D69 IonicContact NH2-OD1 2.86Å; R8-D69 PolarHBondContact NH2-OD1 2.87Å; Y42-D69 WeakPolarHBondContact O-CB 3.32Å; Y64-D69 HydrophobicContact CD1-CB 4.22Å; D66-D69 HydrophobicContact CB-CB 4.25Å; D66-D69 WeakPolarHBondContact CB-OD2 3.16Å; D66-D69 PolarHBondContact OD1-N 2.79Å; I67-D69 VanDerWaalsContact C-N 3.33Å; D69-K71 VanDerWaalsContact C-N 3.32Å; D69-K71 PolarHBondContact O-N 2.92Å; D69-N72 PolarHBondContact O-N 3.42Å; D69-A73 WeakPolarHBondContact O-CB 3.18Å; D69-A73 PolarHBondContact O-N 2.93Å
70A93.7Very high93.5Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-60.3-40.7171.100000112.4N18 L21 Y64 D66 A73 C74N18-A70 WeakPolarHBondContact O-CB 3.45Å; L21-A70 HydrophobicContact CD2-CB 4.22Å; L21-A70 HydrophobicContact CG-CB 4.35Å; Y64-A70 HydrophobicContact CD2-CB 3.7Å; Y64-A70 HydrophobicContact CE2-CB 4.47Å; Y64-A70 HydrophobicContact CG-CB 4.12Å; D66-A70 PolarHBondContact O-N 3.37Å; A70-A73 PolarHBondContact O-N 3.05Å; A70-C74 WeakPolarHBondContact O-CB 3.24Å; A70-C74 PolarHBondContact O-N 2.94Å
71K93.4Very high93.3Very high66 Ų6646.2 Ų46.229%0.28724%0.243SC..Hα-helixtrans-60.6-50174.3174.7176.5-169.6-53.10111.2L13 V17 I67 F68 D69 A73 C74 D75 Y91L13-K71 HydrophobicContact CD2-CD 3.67Å; V17-K71 HydrophobicContact CG1-CB 4.08Å; I67-K71 PolarHBondContact O-N 3.03Å; F68-K71 WeakPolarHBondContact O-CB 3.38Å; F68-K71 PolarHBondContact O-N 2.97Å; D69-K71 VanDerWaalsContact C-N 3.32Å; D69-K71 PolarHBondContact O-N 2.92Å; K71-A73 VanDerWaalsContact C-N 3.3Å; K71-A73 PolarHBondContact O-N 3.06Å; K71-C74 WeakPolarHBondContact O-CB 3.36Å; K71-C74 PolarHBondContact O-N 2.78Å; K71-C74 VanDerWaalsContact O-N 3.12Å; K71-D75 IonicContact NZ-OD2 2.86Å; K71-D75 PolarHBondContact NZ-OD2 2.87Å; K71-D75 PolarHBondContact O-N 3.37Å; K71-Y91 WeakPolarHBondContact CA-OH 3.41Å; K71-Y91 WeakPolarHBondContact CG-OH 3.27Å
72N93.7Very high93Very high68 Ų6843.2 Ų43.236%0.36423%0.233SC..Hα-helixtrans-60-42.9-178.6-163.128.9000111.4Y42 F68 D69 D75 H76Y42-N72 HydrophobicContact CD1-CB 4.45Å; F68-N72 WeakPolarHBondContact O-CB 3.46Å; F68-N72 PolarHBondContact O-N 2.88Å; D69-N72 PolarHBondContact O-N 3.42Å; N72-D75 PolarHBondContact O-N 2.92Å; N72-H76 PolarHBondContact O-N 2.96Å; N72-H76 PolarHBondContact O-ND1 3.24Å; N72-H76 PolarHBondContact OD1-CE1 3.34Å; N72-H76 PolarHBondContact OD1-ND1 3.4Å
73A94.5Very high92.6Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-62-43.3174.300000112.2L21 Y42 Y64 D69 A70 K71 D75 H76 L77L21-A73 HydrophobicContact CD1-CB 3.87Å; Y42-A73 HydrophobicContact CD1-CB 4.39Å; Y42-A73 HydrophobicContact CD2-CB 4.01Å; Y42-A73 HydrophobicContact CG-CB 3.8Å; Y64-A73 HydrophobicContact CE2-CB 3.87Å; Y64-A73 WeakPolarHBondContact OH-CB 3.33Å; D69-A73 WeakPolarHBondContact O-CB 3.18Å; D69-A73 PolarHBondContact O-N 2.93Å; A70-A73 PolarHBondContact O-N 3.05Å; K71-A73 VanDerWaalsContact C-N 3.3Å; K71-A73 PolarHBondContact O-N 3.06Å; A73-D75 PolarHBondContact O-N 2.74Å; A73-H76 PolarHBondContact O-N 2.82Å; A73-L77 HydrophobicContact CB-CD1 4.21Å; A73-L77 WeakPolarHBondContact O-CB 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 3.07Å
74C93.9Very high92.3Very high12 Ų1253.2 Ų53.28%0.08129%0.291CS..Hα-helixtrans-61.9-44179.1-166.10000112.2L21 A70 K71 H76 S78 V89 Y91L21-C74 HydrophobicContact CD1-CB 4.34Å; L21-C74 HydrophobicContact CD2-CB 4.06Å; A70-C74 WeakPolarHBondContact O-CB 3.24Å; A70-C74 PolarHBondContact O-N 2.94Å; K71-C74 WeakPolarHBondContact O-CB 3.36Å; K71-C74 PolarHBondContact O-N 2.78Å; K71-C74 VanDerWaalsContact O-N 3.12Å; C74-H76 PolarHBondContact O-N 3.05Å; C74-S78 WeakPolarHBondContact O-CB 3.28Å; C74-S78 PolarHBondContact O-N 3.24Å; C74-V89 HydrophobicContact CB-CG1 4.36Å; C74-Y91 HydrophobicContact CB-CE1 3.83Å
75D91.9Very high92Very high87 Ų8756.3 Ų56.347%0.46530%0.303SS..Hα-helixtrans-66-36.3-177.7-66.8-21.5000112.2K71 N72 A73K71-D75 IonicContact NZ-OD2 2.86Å; K71-D75 PolarHBondContact NZ-OD2 2.87Å; K71-D75 PolarHBondContact O-N 3.37Å; N72-D75 PolarHBondContact O-N 2.92Å; A73-D75 PolarHBondContact O-N 2.74Å
76H92.2Very high92Very high110 Ų11059.3 Ų59.351%0.50931%0.312SS..Hα-helixtrans-98.3-27.4-174-64.390.9000114.5Y42 N72 A73 C74Y42-H76 HydrophobicContact CE1-CB 3.62Å; Y42-H76 WeakPolarHBondContact OH-CB 3.4Å; N72-H76 PolarHBondContact O-N 2.96Å; N72-H76 PolarHBondContact O-ND1 3.24Å; N72-H76 PolarHBondContact OD1-CE1 3.34Å; N72-H76 PolarHBondContact OD1-ND1 3.4Å; A73-H76 PolarHBondContact O-N 2.82Å; C74-H76 PolarHBondContact O-N 3.05Å
77L93.2Very high92.1Very high3 Ų357 Ų572%0.01630%0.299CS..Hα-helixtrans-90.7-12.9-178.9-66.8175.1000113.5I38 F39 Y42 A73 G79 F80 V89I38-L77 HydrophobicContact CG2-CD1 4.12Å; I38-L77 HydrophobicContact CG2-CD2 3.67Å; F39-L77 HydrophobicContact CD1-CD1 3.4Å; F39-L77 VanDerWaalsContact CD1-CD1 3.4Å; F39-L77 HydrophobicContact CE1-CD1 3.44Å; F39-L77 VanDerWaalsContact CE1-CD1 3.44Å; F39-L77 HydrophobicContact CG-CD1 4.12Å; F39-L77 HydrophobicContact CZ-CD1 4.18Å; Y42-L77 HydrophobicContact CD2-CD1 3.92Å; Y42-L77 HydrophobicContact CD2-CG 4.28Å; Y42-L77 HydrophobicContact CE2-CD1 3.56Å; Y42-L77 HydrophobicContact CE2-CD2 3.65Å; Y42-L77 HydrophobicContact CE2-CG 3.49Å; Y42-L77 VanDerWaalsContact CE2-CG 3.49Å; A73-L77 HydrophobicContact CB-CD1 4.21Å; A73-L77 WeakPolarHBondContact O-CB 3.29Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 3.07Å; L77-G79 PolarHBondContact O-N 3.41Å; L77-F80 HydrophobicContact CD2-CB 4.11Å; L77-F80 HydrophobicContact CD2-CD1 4.17Å; L77-F80 HydrophobicContact CD2-CD2 4.49Å; L77-F80 HydrophobicContact CD2-CG 4.01Å; L77-F80 VanDerWaalsContact O-CB 3.28Å; L77-F80 WeakPolarHBondContact O-CB 3.22Å; L77-F80 PolarHBondContact O-N 2.94Å; L77-V89 HydrophobicContact CB-CG2 3.84Å
78S91.3Very high92.2Very high67 Ų6757.2 Ų57.247%0.46930%0.303SS..THydrogen-bonded Turntrans-65.5119.3170.9-166.30000109.7C74C74-S78 WeakPolarHBondContact O-CB 3.28Å; C74-S78 PolarHBondContact O-N 3.24Å
79G90.7Very high92.4Very high43 Ų4355.1 Ų55.144%0.44329%0.294SS..THydrogen-bonded Turntrans79.712.7-173.200000114.4L77 Y86 L87L77-G79 PolarHBondContact O-N 3.41Å; G79-Y86 WeakPolarHBondContact O-CD1 3.36Å; G79-L87 WeakPolarHBondContact CA-O 3.43Å; G79-L87 PolarHBondContact N-O 3.36Å
80F92.1Very high92.4Very high88 Ų8856.9 Ų56.939%0.38630%0.303SS..  trans-71.5131.2174.4-173.7-108.2000110.9I38 L77 V82 Y86 L87I38-F80 HydrophobicContact CG2-CD1 4.41Å; I38-F80 HydrophobicContact CG2-CE1 4.39Å; L77-F80 HydrophobicContact CD2-CB 4.11Å; L77-F80 HydrophobicContact CD2-CD1 4.17Å; L77-F80 HydrophobicContact CD2-CD2 4.49Å; L77-F80 HydrophobicContact CD2-CG 4.01Å; L77-F80 VanDerWaalsContact O-CB 3.28Å; L77-F80 WeakPolarHBondContact O-CB 3.22Å; L77-F80 PolarHBondContact O-N 2.94Å; F80-V82 HydrophobicContact CD1-CG2 3.47Å; F80-V82 VanDerWaalsContact CD1-CG2 3.47Å; F80-V82 HydrophobicContact CE1-CG2 3.67Å; F80-Y86 CarbonylContact O-C 3.54Å; F80-Y86 WeakPolarHBondContact O-CA 3.4Å; F80-L87 HydrophobicContact CD1-CD1 4.44Å; F80-L87 WeakPolarHBondContact O-CG 3.47Å; F80-L87 PolarHBondContact O-N 2.81Å
81N91.3Very high92.4Very high68 Ų6858.9 Ų58.936%0.36431%0.311SS..EExtended strand (participates in β ladder)trans-84.7120-179.3-17513.2000111.2N84 R85 Y86N81-N84 WeakPolarHBondContact OD1-CA 3.11Å; N81-N84 PolarHBondContact OD1-N 3.16Å; N81-N84 VanDerWaalsContact OD1-N 3.16Å; N81-R85 PolarHBondContact OD1-N 3.46Å; N81-R85 VanDerWaalsContact OD1-N 3.09Å; N81-Y86 HydrophobicContact CB-CD1 4.01Å; N81-Y86 HydrophobicContact CB-CE1 3.82Å
82V88.4Confident92.3Very high13 Ų1357.9 Ų57.98%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-126117.8172.6-171.40000108.6P27 I30 I38 F80 N84 R85 L87P27-V82 HydrophobicContact CG-CB 4.13Å; P27-V82 HydrophobicContact CG-CG1 3.84Å; P27-V82 WeakPolarHBondContact CG-O 3.37Å; I30-V82 HydrophobicContact CD1-CG1 4.26Å; I38-V82 HydrophobicContact CD1-CG1 4.24Å; I38-V82 HydrophobicContact CD1-CG2 3.97Å; F80-V82 HydrophobicContact CD1-CG2 3.47Å; F80-V82 VanDerWaalsContact CD1-CG2 3.47Å; F80-V82 HydrophobicContact CE1-CG2 3.67Å; V82-N84 VanDerWaalsContact C-N 3.31Å; V82-N84 PolarHBondContact O-N 3.45Å; V82-R85 PolarHBondContact N-O 3.29Å; V82-R85 WeakPolarHBondContact O-CB 3.45Å; V82-R85 PolarHBondContact O-N 3.22Å; V82-L87 HydrophobicContact CB-CD2 4.42Å; V82-L87 HydrophobicContact CG2-CD1 3.73Å; V82-L87 HydrophobicContact CG2-CD2 4.24Å; V82-L87 HydrophobicContact CG2-CG 3.88Å
83C87.8Confident92.1Very high95 Ų9556.2 Ų56.264%0.64230%0.297SS*.THydrogen-bonded Turntrans51.646.7179-57.70000113.2P27 R85P27-C83 HydrophobicContact CB-CB 4.34Å; P27-C83 HydrophobicContact CG-CB 3.99Å; C83-R85 PolarHBondContact O-N 3.19Å
84N89.8Confident91.6Very high145 Ų14556.3 Ų56.378%0.77530%0.297SS*.THydrogen-bonded Turntrans62.324.7-176-65.1-7.1000114.7N81 V82N81-N84 WeakPolarHBondContact OD1-CA 3.11Å; N81-N84 PolarHBondContact OD1-N 3.16Å; N81-N84 VanDerWaalsContact OD1-N 3.16Å; V82-N84 VanDerWaalsContact C-N 3.31Å; V82-N84 PolarHBondContact O-N 3.45Å
85R90.8Very high91.1Very high66 Ų6657.3 Ų57.325%0.24930%0.302CS..EExtended strand (participates in β ladder)trans-126.1126.8173.1-60.5-175.472175.64.8110.1N25 L26 N81 V82 C83 L87N25-R85 PolarHBondContact O-NE 2.84Å; N25-R85 VanDerWaalsContact OD1-CZ 3.25Å; N25-R85 PolarHBondContact OD1-NE 2.82Å; N25-R85 VanDerWaalsContact OD1-NE 3.09Å; N25-R85 PolarHBondContact OD1-NH2 3.04Å; L26-R85 PolarHBondContact O-NH1 3.22Å; N81-R85 PolarHBondContact OD1-N 3.46Å; N81-R85 VanDerWaalsContact OD1-N 3.09Å; V82-R85 PolarHBondContact N-O 3.29Å; V82-R85 WeakPolarHBondContact O-CB 3.45Å; V82-R85 PolarHBondContact O-N 3.22Å; C83-R85 PolarHBondContact O-N 3.19Å; R85-L87 PolarHBondContact O-N 3.33Å
86Y93.6Very high90.7Very high147 Ų14759.6 Ų59.658%0.57630%0.304SS*.EExtended strand (participates in β ladder)trans-81.2116.3176.1-63.4-81.9000110.3N25 G79 F80 N81N25-Y86 PolarHBondContact ND2-O 3.23Å; G79-Y86 WeakPolarHBondContact O-CD1 3.36Å; F80-Y86 CarbonylContact O-C 3.54Å; F80-Y86 WeakPolarHBondContact O-CA 3.4Å; N81-Y86 HydrophobicContact CB-CD1 4.01Å; N81-Y86 HydrophobicContact CB-CE1 3.82Å
87L94.1Very high90.1Very high1 Ų156 Ų561%0.00529%0.294CS..  trans-65.7144.6179.1-59.6-172000110.8L26 G79 F80 V82 R85 V89L26-L87 HydrophobicContact CD2-CD1 4.21Å; L26-L87 HydrophobicContact CD2-CD2 3.59Å; L26-L87 HydrophobicContact CG-CD2 4.16Å; G79-L87 WeakPolarHBondContact CA-O 3.43Å; G79-L87 PolarHBondContact N-O 3.36Å; F80-L87 HydrophobicContact CD1-CD1 4.44Å; F80-L87 WeakPolarHBondContact O-CG 3.47Å; F80-L87 PolarHBondContact O-N 2.81Å; V82-L87 HydrophobicContact CB-CD2 4.42Å; V82-L87 HydrophobicContact CG2-CD1 3.73Å; V82-L87 HydrophobicContact CG2-CD2 4.24Å; V82-L87 HydrophobicContact CG2-CG 3.88Å; R85-L87 PolarHBondContact O-N 3.33Å; L87-V89 HydrophobicContact CB-CG2 4.44Å
88V94.6Very high89.6Confident58 Ų5857.7 Ų57.735%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-113.5114.2170177.60000107.1V23 R24 L90V23-V88 CarbonylContact C-O 3.51Å; V23-V88 WeakPolarHBondContact CA-O 3.24Å; R24-V88 HydrophobicContact CB-CB 4.19Å; R24-V88 PolarHBondContact N-O 3.48Å; R24-V88 PolarHBondContact O-N 3.46Å; V88-L90 HydrophobicContact CG1-CD1 4.33Å; V88-L90 HydrophobicContact CG1-CD2 4.39Å; V88-L90 HydrophobicContact CG1-CG 4.13Å
89V95Very high89.2Confident3 Ų361 Ų612%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-111.7125.7-178.3-172.60000108.4L21 V23 C74 L77 L87L21-V89 HydrophobicContact CB-CG1 4.11Å; L21-V89 HydrophobicContact CD1-CG1 3.79Å; L21-V89 HydrophobicContact CG-CG1 4.41Å; V23-V89 HydrophobicContact CG1-CG2 4.35Å; C74-V89 HydrophobicContact CB-CG1 4.36Å; L77-V89 HydrophobicContact CB-CG2 3.84Å; L87-V89 HydrophobicContact CB-CG2 4.44Å
90L93.6Very high88.6Confident55 Ų5566.6 Ų66.629%0.28832%0.321SS..EExtended strand (participates in β ladder)trans-131.1153.6-177.6-60.4172.7000109.3L21 Y22 V88L21-L90 CarbonylContact C-O 3.58Å; L21-L90 WeakPolarHBondContact CA-O 3.15Å; Y22-L90 HydrophobicContact CD1-CD1 4.41Å; Y22-L90 PolarHBondContact N-O 3.32Å; Y22-L90 PolarHBondContact O-N 3.08Å; V88-L90 HydrophobicContact CG1-CD1 4.33Å; V88-L90 HydrophobicContact CG1-CD2 4.39Å; V88-L90 HydrophobicContact CG1-CG 4.13Å
91Y94.1Very high88.1Confident42 Ų4266.1 Ų66.117%0.16532%0.321CS..EExtended strand (participates in β ladder)trans-67.5146.8167.1-62.9-63.3000111.2E16 V17 L21 K71 C74 N93E16-Y91 HydrophobicContact CG-CD2 4.38Å; E16-Y91 WeakPolarHBondContact O-CB 3.27Å; V17-Y91 HydrophobicContact CB-CE1 4.35Å; V17-Y91 HydrophobicContact CG1-CD1 4.41Å; V17-Y91 HydrophobicContact CG1-CE1 3.78Å; V17-Y91 HydrophobicContact CG2-CE2 4.02Å; L21-Y91 HydrophobicContact CD2-CD1 3.52Å; L21-Y91 HydrophobicContact CD2-CE1 3.75Å; K71-Y91 WeakPolarHBondContact CA-OH 3.41Å; K71-Y91 WeakPolarHBondContact CG-OH 3.27Å; C74-Y91 HydrophobicContact CB-CE1 3.83Å; Y91-N93 PolarHBondContact O-N 2.82Å
92Y92.3Very high87.9Confident44 Ų4467.9 Ų67.917%0.17333%0.33CS..  trans-62.7129172.2177.5-95.8000110.8I20 Y61 A94 A97I20-Y92 HydrophobicContact CB-CG 4.1Å; I20-Y92 HydrophobicContact CD1-CD1 4.45Å; I20-Y92 HydrophobicContact CD1-CG 4.5Å; I20-Y92 HydrophobicContact CG2-CD2 4.05Å; I20-Y92 HydrophobicContact CG2-CG 3.96Å; I20-Y92 WeakPolarHBondContact O-CB 3.38Å; I20-Y92 PolarHBondContact O-N 3.06Å; Y61-Y92 HydrophobicContact CD1-CD2 4.04Å; Y61-Y92 AromaticContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CD2 3.68Å; Y61-Y92 HydrophobicContact CE1-CE2 4.03Å; Y92-A94 HydrophobicContact CE1-CB 4.01Å; Y92-A97 HydrophobicContact CE2-CB 3.56Å
93N88.6Confident87.7Confident33 Ų3372.8 Ų72.818%0.17636%0.361CS..  trans-126.4122.2170.8177.3-73.3000108.4Y91 N95 R96 A97 D122Y91-N93 PolarHBondContact O-N 2.82Å; N93-N95 VanDerWaalsContact C-N 3.27Å; N93-N95 PolarHBondContact O-N 3.46Å; N93-N95 WeakPolarHBondContact OD1-CA 3.41Å; N93-N95 WeakPolarHBondContact OD1-CB 3.33Å; N93-N95 PolarHBondContact OD1-N 2.82Å; N93-R96 HydrophobicContact CB-CB 4.42Å; N93-R96 PolarHBondContact O-N 3.05Å; N93-R96 PolarHBondContact OD1-N 2.78Å; N93-A97 PolarHBondContact O-N 2.82Å; N93-D122 PolarHBondContact ND2-O 2.86Å
94A84.1Confident87.7Confident2 Ų276.5 Ų76.52%0.01737%0.366CS..Hα-helixtrans-61.5-36.7-176.500000112Y92 R96 A97 F98 L110 I119Y92-A94 HydrophobicContact CE1-CB 4.01Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 3.03Å; A94-A97 PolarHBondContact O-N 2.75Å; A94-F98 WeakPolarHBondContact O-CD2 3.49Å; A94-F98 PolarHBondContact O-N 3.4Å; A94-L110 HydrophobicContact CB-CD2 3.81Å; A94-I119 HydrophobicContact CB-CG2 4.27Å
95N84.7Confident87.6Confident34 Ų3475 Ų7518%0.18235%0.352CS..Hα-helixtrans-61.2-42.7179.1-157.3-58.3000111.8N93 Q99 K106 T121N93-N95 VanDerWaalsContact C-N 3.27Å; N93-N95 PolarHBondContact O-N 3.46Å; N93-N95 WeakPolarHBondContact OD1-CA 3.41Å; N93-N95 WeakPolarHBondContact OD1-CB 3.33Å; N93-N95 PolarHBondContact OD1-N 2.82Å; N95-Q99 PolarHBondContact O-N 2.83Å; N95-K106 WeakPolarHBondContact OD1-CE 3.43Å; N95-K106 PolarHBondContact OD1-NZ 3.47Å; N95-T121 PolarHBondContact ND2-O 3Å
96R82.5Confident87.3Confident135 Ų13573.7 Ų73.751%0.50935%0.349SS..Hα-helixtrans-68.9-39.2174.6-81.3-169.9167.6173.35.2112.8N93 A94 F98 Q99 P124N93-R96 HydrophobicContact CB-CB 4.42Å; N93-R96 PolarHBondContact O-N 3.05Å; N93-R96 PolarHBondContact OD1-N 2.78Å; A94-R96 VanDerWaalsContact C-N 3.34Å; A94-R96 PolarHBondContact O-N 3.03Å; R96-F98 VanDerWaalsContact C-N 3.27Å; R96-F98 PolarHBondContact O-N 2.98Å; R96-Q99 WeakPolarHBondContact O-CB 3.45Å; R96-Q99 PolarHBondContact O-N 2.92Å; R96-P124 HydrophobicContact CG-CG 4.06Å
97A80.8Confident86.8Confident35 Ų3573.5 Ų73.529%0.28935%0.353SS..Hα-helixtrans-60.1-37.9-178.500000112.6Y92 N93 A94Y92-A97 HydrophobicContact CE2-CB 3.56Å; N93-A97 PolarHBondContact O-N 2.82Å; A94-A97 PolarHBondContact O-N 2.75Å
98F82.2Confident86.6Confident37 Ų3779.8 Ų79.816%0.16238%0.382CS..THydrogen-bonded Turntrans-100.815.3-179.7-56.7-69.5000113.6A94 R96 K100 M101 K106 L110 L113A94-F98 WeakPolarHBondContact O-CD2 3.49Å; A94-F98 PolarHBondContact O-N 3.4Å; R96-F98 VanDerWaalsContact C-N 3.27Å; R96-F98 PolarHBondContact O-N 2.98Å; F98-K100 PolarHBondContact O-N 2.94Å; F98-M101 HydrophobicContact CB-SD 4.4Å; F98-M101 HydrophobicContact CD1-CE 3.78Å; F98-M101 HydrophobicContact CD1-SD 3.73Å; F98-M101 HydrophobicContact CE1-CE 4.19Å; F98-M101 HydrophobicContact CG-SD 4.47Å; F98-M101 PolarHBondContact O-N 3.14Å; F98-M101 VanDerWaalsContact O-N 3.11Å; F98-K106 HydrophobicContact CB-CG 4.09Å; F98-L110 HydrophobicContact CD2-CD2 4.08Å; F98-L113 HydrophobicContact CD2-CD1 4.27Å; F98-L113 HydrophobicContact CE2-CD1 3.38Å; F98-L113 HydrophobicContact CZ-CD1 3.83Å
99Q81.3Confident86.1Confident136 Ų13680.7 Ų80.764%0.63638%0.383SS*.THydrogen-bonded Turntrans-60.7-29.5-176.2-175.9176.90.300113.3N95 R96N95-Q99 PolarHBondContact O-N 2.83Å; R96-Q99 WeakPolarHBondContact O-CB 3.45Å; R96-Q99 PolarHBondContact O-N 2.92Å
100K79.1Confident85.5Confident161 Ų16181.3 Ų81.370%0.739%0.386SS*.THydrogen-bonded Turntrans-83.6-3.4179.9-68.1-174.4169.6-171.50114.4E55 F98E55-K100 IonicContact OE2-NZ 3.87Å; E55-K100 PolarHBondContact OE2-NZ 3.44Å; F98-K100 PolarHBondContact O-N 2.94Å
101M81.5Confident85.2Confident79 Ų7985.5 Ų85.539%0.38940%0.402SS..SBendtrans-84.3154.8177.7-70.9-170.3174.700111.7F98 T103 K106 Q109F98-M101 HydrophobicContact CB-SD 4.4Å; F98-M101 HydrophobicContact CD1-CE 3.78Å; F98-M101 HydrophobicContact CD1-SD 3.73Å; F98-M101 HydrophobicContact CE1-CE 4.19Å; F98-M101 HydrophobicContact CG-SD 4.47Å; F98-M101 PolarHBondContact O-N 3.14Å; F98-M101 VanDerWaalsContact O-N 3.11Å; M101-T103 PolarHBondContact O-N 2.99Å; M101-K106 HydrophobicContact CB-CB 4.3Å; M101-Q109 PolarHBondContact SD-OE1 3.15Å
102D86.6Confident85Confident104 Ų10488.8 Ų88.856%0.55642%0.422SS*.  trans-48138.5168.9-73.3-64.3000111.1K104 K105 K106D102-K104 VanDerWaalsContact C-N 3.26Å; D102-K104 PolarHBondContact O-N 2.86Å; D102-K104 VanDerWaalsContact O-N 3.15Å; D102-K105 HydrophobicContact CB-CB 4.3Å; D102-K105 HydrophobicContact CB-CD 4.22Å; D102-K105 HydrophobicContact CB-CG 4.27Å; D102-K105 PolarHBondContact O-N 2.65Å; D102-K105 IonicContact OD2-NZ 2.92Å; D102-K105 PolarHBondContact OD2-NZ 3.18Å; D102-K105 VanDerWaalsContact OD2-NZ 3.11Å; D102-K106 WeakPolarHBondContact O-CB 3.17Å; D102-K106 PolarHBondContact O-N 3.22Å
103T84.3Confident84.6Confident117 Ų11788.2 Ų88.272%0.71842%0.421SS*.Hα-helixtrans-52.7-42.8-175.3-43.70000112.8M101 E107M101-T103 PolarHBondContact O-N 2.99Å; T103-E107 PolarHBondContact O-N 3.4Å
104K87.5Confident84.4Confident172 Ų17292.5 Ų92.575%0.74844%0.438SS*.Hα-helixtrans-63.9-49.2177.8-70.2-174.9176.7-1780112.2D102 K106 E107 E108D102-K104 VanDerWaalsContact C-N 3.26Å; D102-K104 PolarHBondContact O-N 2.86Å; D102-K104 VanDerWaalsContact O-N 3.15Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.11Å; K104-E107 PolarHBondContact O-N 3.47Å; K104-E108 WeakPolarHBondContact O-CG 3.39Å; K104-E108 PolarHBondContact O-N 2.71Å; K104-E108 VanDerWaalsContact O-N 3.08Å
105K88.1Confident84.6Confident113 Ų113100.3 Ų100.349%0.49148%0.475SS..Hα-helixtrans-65.6-38.4179.3-67.5177.8-174.6152.40111.7D102 E108 Q109D102-K105 HydrophobicContact CB-CB 4.3Å; D102-K105 HydrophobicContact CB-CD 4.22Å; D102-K105 HydrophobicContact CB-CG 4.27Å; D102-K105 PolarHBondContact O-N 2.65Å; D102-K105 IonicContact OD2-NZ 2.92Å; D102-K105 PolarHBondContact OD2-NZ 3.18Å; D102-K105 VanDerWaalsContact OD2-NZ 3.11Å; K105-E108 PolarHBondContact O-N 3.46Å; K105-Q109 WeakPolarHBondContact O-CB 3.5Å; K105-Q109 WeakPolarHBondContact O-CG 3.39Å; K105-Q109 PolarHBondContact O-N 3.23Å
106K84.9Confident84.8Confident39 Ų39105.3 Ų105.317%0.1750%0.495CS..Hα-helixtrans-59.2-48.9175.7179.8-175.7176.6-175.10110.5N95 F98 M101 D102 K104 Q109 L110N95-K106 WeakPolarHBondContact OD1-CE 3.43Å; N95-K106 PolarHBondContact OD1-NZ 3.47Å; F98-K106 HydrophobicContact CB-CG 4.09Å; M101-K106 HydrophobicContact CB-CB 4.3Å; D102-K106 WeakPolarHBondContact O-CB 3.17Å; D102-K106 PolarHBondContact O-N 3.22Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.11Å; K106-Q109 PolarHBondContact O-N 3.48Å; K106-L110 HydrophobicContact CD-CD1 4.48Å; K106-L110 HydrophobicContact CG-CD1 3.88Å; K106-L110 HydrophobicContact CG-CG 4.4Å; K106-L110 WeakPolarHBondContact O-CB 3.26Å; K106-L110 VanDerWaalsContact O-CG 3.24Å; K106-L110 WeakPolarHBondContact O-CG 3.42Å; K106-L110 PolarHBondContact O-N 3.11Å
107E84Confident84.8Confident144 Ų144105.7 Ų105.767%0.67350%0.497SS*.Hα-helixtrans-63.6-43.7-179.3-164.6174.2109.600111.8T103 K104 L110 K111T103-E107 PolarHBondContact O-N 3.4Å; K104-E107 PolarHBondContact O-N 3.47Å; E107-L110 PolarHBondContact O-N 3.16Å; E107-K111 VanDerWaalsContact O-CB 3.29Å; E107-K111 WeakPolarHBondContact O-CB 3.49Å; E107-K111 PolarHBondContact O-N 3.09Å
108E88.4Confident84.8Confident132 Ų132107 Ų10762%0.61752%0.515SS*.Hα-helixtrans-60.2-47.2175-73.1170.4-17500112.2K104 K105 K111 L112K104-E108 WeakPolarHBondContact O-CG 3.39Å; K104-E108 PolarHBondContact O-N 2.71Å; K104-E108 VanDerWaalsContact O-N 3.08Å; K105-E108 PolarHBondContact O-N 3.46Å; E108-K111 PolarHBondContact O-N 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.43Å; E108-L112 PolarHBondContact O-N 3.34Å
109Q85.5Confident84.7Confident77 Ų77107.9 Ų107.936%0.3652%0.52SS..Hα-helixtrans-66.4-41.4178.9-73.1-157.4-5.300112.4M101 K105 K106 K111 L112 L113M101-Q109 PolarHBondContact SD-OE1 3.15Å; K105-Q109 WeakPolarHBondContact O-CB 3.5Å; K105-Q109 WeakPolarHBondContact O-CG 3.39Å; K105-Q109 PolarHBondContact O-N 3.23Å; K106-Q109 PolarHBondContact O-N 3.48Å; Q109-K111 VanDerWaalsContact C-N 3.35Å; Q109-L112 PolarHBondContact O-N 2.96Å; Q109-L113 WeakPolarHBondContact O-CB 3.33Å; Q109-L113 WeakPolarHBondContact O-CD1 3.46Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.3Å; Q109-L113 PolarHBondContact O-N 3.39Å
110L82.4Confident84.5Confident16 Ų16105 Ų1058%0.08451%0.51CS..Hα-helixtrans-63.2-42.7175.7-72.2174.3000111A94 F98 K106 E107 L113 K114 T121A94-L110 HydrophobicContact CB-CD2 3.81Å; F98-L110 HydrophobicContact CD2-CD2 4.08Å; K106-L110 HydrophobicContact CD-CD1 4.48Å; K106-L110 HydrophobicContact CG-CD1 3.88Å; K106-L110 HydrophobicContact CG-CG 4.4Å; K106-L110 WeakPolarHBondContact O-CB 3.26Å; K106-L110 VanDerWaalsContact O-CG 3.24Å; K106-L110 WeakPolarHBondContact O-CG 3.42Å; K106-L110 PolarHBondContact O-N 3.11Å; E107-L110 PolarHBondContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-K114 VanDerWaalsContact O-CB 3.32Å; L110-K114 WeakPolarHBondContact O-CB 3.14Å; L110-K114 PolarHBondContact O-N 2.68Å; L110-T121 HydrophobicContact CB-CG2 4.05Å; L110-T121 HydrophobicContact CD2-CG2 3.82Å
111K86.9Confident84.4Confident143 Ų14398.4 Ų98.462%0.62248%0.483SS*.Hα-helixtrans-62.8-44.4176.8-169.3177.4180-176.30111.4E107 E108 Q109 K114 E115E107-K111 VanDerWaalsContact O-CB 3.29Å; E107-K111 WeakPolarHBondContact O-CB 3.49Å; E107-K111 PolarHBondContact O-N 3.09Å; E108-K111 PolarHBondContact O-N 3.3Å; Q109-K111 VanDerWaalsContact C-N 3.35Å; K111-K114 PolarHBondContact O-N 2.92Å; K111-E115 WeakPolarHBondContact O-CB 3.49Å; K111-E115 PolarHBondContact O-N 3.44Å
112L89Confident84.2Confident112 Ų11299.1 Ų99.159%0.58649%0.488SS*.Hα-helixtrans-64.9-40.7178-173.6136.2000112.3E108 Q109 K116E108-L112 WeakPolarHBondContact O-CB 3.43Å; E108-L112 PolarHBondContact O-N 3.34Å; Q109-L112 PolarHBondContact O-N 2.96Å; L112-K116 WeakPolarHBondContact O-CB 3.46Å; L112-K116 PolarHBondContact O-N 3.21Å
113L84.8Confident83.5Confident31 Ų3198.4 Ų98.416%0.16249%0.489CS..Hα-helixtrans-64.8-39.6174.6-76.9159.9000112F98 Q109 L110 Y117 I119F98-L113 HydrophobicContact CD2-CD1 4.27Å; F98-L113 HydrophobicContact CE2-CD1 3.38Å; F98-L113 HydrophobicContact CZ-CD1 3.83Å; Q109-L113 WeakPolarHBondContact O-CB 3.33Å; Q109-L113 WeakPolarHBondContact O-CD1 3.46Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.3Å; Q109-L113 PolarHBondContact O-N 3.39Å; L110-L113 PolarHBondContact O-N 3.09Å; L113-Y117 HydrophobicContact CD2-CD2 4.15Å; L113-Y117 HydrophobicContact CD2-CE2 4.44Å; L113-Y117 PolarHBondContact O-N 3.16Å; L113-I119 HydrophobicContact CD2-CD1 4.1Å
114K84.9Confident82.9Confident123 Ų12395.4 Ų95.454%0.53547%0.471SS..Hα-helixtrans-66.4-44.5176.8-174.2173.8-179.2173.90111.6L110 K111 G118 T121L110-K114 VanDerWaalsContact O-CB 3.32Å; L110-K114 WeakPolarHBondContact O-CB 3.14Å; L110-K114 PolarHBondContact O-N 2.68Å; K111-K114 PolarHBondContact O-N 2.92Å; K114-G118 WeakPolarHBondContact O-CA 3.47Å; K114-G118 PolarHBondContact O-N 3.41Å; K114-T121 HydrophobicContact CB-CG2 4.22Å
115E87.6Confident81.6Confident167 Ų16799 Ų9978%0.7849%0.487SS*.Hα-helixtrans-69.5-43.7-179.9-167.7175.4110.200112K111K111-E115 WeakPolarHBondContact O-CB 3.49Å; K111-E115 PolarHBondContact O-N 3.44Å
116K87.6Confident81.3Confident138 Ų13898.3 Ų98.360%0.649%0.487SS*.Hα-helixtrans-77.8-36.1-175.2-169.5171.6-179.5-179.80113.8L112L112-K116 WeakPolarHBondContact O-CB 3.46Å; L112-K116 PolarHBondContact O-N 3.21Å
117Y84.3Confident81.1Confident143 Ų143101.4 Ų101.456%0.56150%0.503SS*.Hα-helixtrans-129.3-0.5-169.9-56-68.2000114.4L113 I119L113-Y117 HydrophobicContact CD2-CD2 4.15Å; L113-Y117 HydrophobicContact CD2-CE2 4.44Å; L113-Y117 PolarHBondContact O-N 3.16Å; Y117-I119 VanDerWaalsContact C-N 3.27Å; Y117-I119 HydrophobicContact CD2-CD1 4.38Å; Y117-I119 HydrophobicContact CG-CD1 4.47Å; Y117-I119 PolarHBondContact O-N 3.43Å
118G80.2Confident80.9Confident64 Ų6499.1 Ų99.166%0.6649%0.494SS*.  trans64.627.2178.900000114.3K114K114-G118 WeakPolarHBondContact O-CA 3.47Å; K114-G118 PolarHBondContact O-N 3.41Å
119I79.7Confident80.5Confident54 Ų5497.1 Ų97.128%0.27749%0.487SS..  trans-74.4142.6-174.9-65.5167.6000111.1A94 L113 Y117 T121A94-I119 HydrophobicContact CB-CG2 4.27Å; L113-I119 HydrophobicContact CD2-CD1 4.1Å; Y117-I119 VanDerWaalsContact C-N 3.27Å; Y117-I119 HydrophobicContact CD2-CD1 4.38Å; Y117-I119 HydrophobicContact CG-CD1 4.47Å; Y117-I119 PolarHBondContact O-N 3.43Å; I119-T121 PolarHBondContact O-N 3.37Å
120N76.9Confident80.2Confident77 Ų7798.4 Ų98.441%0.41250%0.495SS..  trans-68.2117.5170.5-172.9-27.1000110.6D122N120-D122 VanDerWaalsContact OD1-CB 3.3Å; N120-D122 WeakPolarHBondContact OD1-CB 3.4Å; N120-D122 PolarHBondContact OD1-N 2.83Å; N120-D122 PolarHBondContact OD1-OD2 3.08Å; N120-D122 VanDerWaalsContact OD1-OD2 3.08Å
121T76.9Confident80Confident22 Ų22103.9 Ų103.914%0.13552%0.522CS..  trans-107.14.9-179.157.30000113.5N95 L110 K114 I119N95-T121 PolarHBondContact ND2-O 3Å; L110-T121 HydrophobicContact CB-CG2 4.05Å; L110-T121 HydrophobicContact CD2-CG2 3.82Å; K114-T121 HydrophobicContact CB-CG2 4.22Å; I119-T121 PolarHBondContact O-N 3.37Å
122D77.3Confident79.5Confident94 Ų94101.1 Ų101.150%0.50352%0.515SS..SBendtrans-67.9149.6-178.3-58.9-48.9000110.4N93 N120N93-D122 PolarHBondContact ND2-O 2.86Å; N120-D122 VanDerWaalsContact OD1-CB 3.3Å; N120-D122 WeakPolarHBondContact OD1-CB 3.4Å; N120-D122 PolarHBondContact OD1-N 2.83Å; N120-D122 PolarHBondContact OD1-OD2 3.08Å; N120-D122 VanDerWaalsContact OD1-OD2 3.08Å
123P73.3Confident78.8Confident89 Ų89100.2 Ų100.258%0.57851%0.51SS*.PPolyproline II helixtrans-55.9146171.8-19.931.4000110.5
124P70.4Confident78.3Confident53 Ų53106 Ų10634%0.34454%0.539SS..PPolyproline II helixtrans-59.1142.2172.823.6-29000109.9R96R96-P124 HydrophobicContact CG-CG 4.06Å
125K60.5Low77.7Confident248 Ų248104.5 Ų104.5100%1.07854%0.539SS*.  trans-64.90175.8-69.8-175.8178.9179.70112

Retrieved 125 of 125 residues in 161.4 ms (Link to these results)

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