A0A087XMB8_POEFO Loading...

Trafficking protein particle complex subunit 2-like protein

AlphaFold DB , UniProt , Accession A0A087XMB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 139 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
1M87.8Confident96.2Very high99 Ų9932.2 Ų32.249%0.48815%0.151SC..  0158.10-67.8172.4176.400109.3N88 V136M1-N88 PolarHBondContact N-ND2 3.47Å; M1-V136 HydrophobicContact CB-CB 4.41Å; M1-V136 HydrophobicContact CB-CG1 3.66Å
2A94.3Very high96.3Very high0 Ų034.1 Ų34.10%016%0.163CC..EExtended strand (participates in β ladder)trans-85.4147.7-177.600000113.4I5 I82 V83 M99 M134 M135 V136A2-I5 HydrophobicContact CB-CD1 3.78Å; A2-I5 HydrophobicContact CB-CG1 3.67Å; A2-I82 HydrophobicContact CB-CG2 3.91Å; A2-V83 WeakPolarHBondContact CA-O 3.48Å; A2-M99 HydrophobicContact CB-CE 3.73Å; A2-M134 PolarHBondContact N-O 3.09Å; A2-M135 CarbonylContact O-C 3.55Å; A2-M135 VanDerWaalsContact O-CA 3.27Å; A2-M135 WeakPolarHBondContact O-CA 3.24Å; A2-V136 PolarHBondContact O-N 3.4Å
3V95.4Very high96.2Very high10 Ų1038.6 Ų38.66%0.06118%0.179CC..EExtended strand (participates in β ladder)trans-98.3-25.3169.6-64.20000111.9S19 V20 F28 Y67 V83 D85 V136V3-S19 CarbonylContact O-C 3.58Å; V3-S19 VanDerWaalsContact O-CA 3.27Å; V3-S19 WeakPolarHBondContact O-CA 3.48Å; V3-V20 PolarHBondContact O-N 3.28Å; V3-F28 HydrophobicContact CB-CE1 4.39Å; V3-F28 HydrophobicContact CB-CZ 4.04Å; V3-F28 HydrophobicContact CG2-CE1 3.68Å; V3-F28 HydrophobicContact CG2-CZ 3.81Å; V3-Y67 HydrophobicContact CG2-CD1 3.84Å; V3-Y67 HydrophobicContact CG2-CE1 3.81Å; V3-V83 HydrophobicContact CG2-CB 4.09Å; V3-V83 HydrophobicContact CG2-CG1 3.84Å; V3-V83 WeakPolarHBondContact CG2-O 3.35Å; V3-V83 PolarHBondContact N-O 3.29Å; V3-D85 HydrophobicContact CG1-CB 4.41Å; V3-V136 HydrophobicContact CG1-CG1 4.34Å; V3-V136 HydrophobicContact CG1-CG2 4.08Å
4C97.1Very high96.3Very high0 Ų040.6 Ų40.60%020%0.197CC..EExtended strand (participates in β ladder)trans-145.4140.5170.8177.90000111R18 F28 V83C4-R18 CarbonylContact C-O 3.51Å; C4-R18 VanDerWaalsContact CA-O 3.29Å; C4-R18 WeakPolarHBondContact CA-O 3.27Å; C4-R18 PolarHBondContact SG-O 3.25Å; C4-F28 HydrophobicContact CB-CB 4Å; C4-F28 HydrophobicContact CB-CD1 3.55Å; C4-F28 HydrophobicContact CB-CD2 4.37Å; C4-F28 HydrophobicContact CB-CE1 4.06Å; C4-F28 HydrophobicContact CB-CG 3.72Å; C4-V83 HydrophobicContact CB-CB 3.93Å; C4-V83 HydrophobicContact CB-CG2 3.99Å; C4-V83 PolarHBondContact N-O 2.57Å; C4-V83 PolarHBondContact O-N 2.77Å
5I98.2Very high96.4Very high0 Ų038.7 Ų38.70%019%0.188CC..EExtended strand (participates in β ladder)trans-131.2129.9172.5-62.1-179.6000108A2 R18 V81 I82 L103 V131 M134 M135A2-I5 HydrophobicContact CB-CD1 3.78Å; A2-I5 HydrophobicContact CB-CG1 3.67Å; I5-R18 PolarHBondContact N-O 3.22Å; I5-R18 PolarHBondContact O-N 3.49Å; I5-V81 WeakPolarHBondContact CA-O 3.22Å; I5-I82 HydrophobicContact CG1-CG1 4.25Å; I5-I82 HydrophobicContact CG1-CG2 4.5Å; I5-I82 HydrophobicContact CG2-CG1 4.47Å; I5-L103 HydrophobicContact CG2-CD1 4.03Å; I5-L103 HydrophobicContact CG2-CD2 3.68Å; I5-V131 HydrophobicContact CB-CG1 4.14Å; I5-V131 HydrophobicContact CD1-CG1 4.07Å; I5-V131 HydrophobicContact CG2-CG1 4.44Å; I5-M134 HydrophobicContact CD1-CB 3.84Å; I5-M134 HydrophobicContact CD1-CE 3.99Å; I5-M135 HydrophobicContact CD1-CG 4.35Å
6A98.4Very high96.5Very high0 Ų037.6 Ų37.60%018%0.181CC..EExtended strand (participates in β ladder)trans-131.7147.4-179.700000112.3I8 Y16 I17 V32 F80 V81A6-I8 HydrophobicContact CB-CD1 4.28Å; A6-Y16 CarbonylContact C-O 3.58Å; A6-Y16 VanDerWaalsContact CA-O 3.25Å; A6-Y16 WeakPolarHBondContact CA-O 3.27Å; A6-I17 HydrophobicContact CB-CG1 3.88Å; A6-V32 HydrophobicContact CB-CB 4.41Å; A6-V32 HydrophobicContact CB-CG1 3.7Å; A6-V32 HydrophobicContact CB-CG2 3.82Å; A6-F80 WeakPolarHBondContact O-CA 3.44Å; A6-V81 HydrophobicContact CB-CB 4.37Å; A6-V81 PolarHBondContact N-O 3.5Å; A6-V81 PolarHBondContact O-N 2.91Å
7V98.6Very high96.6Very high0 Ų037.1 Ų37.10%018%0.179CC..EExtended strand (participates in β ladder)trans-122.2117.8169-179.90000107.8L15 Y16 V78 F80 L103 F107 I122 F127V7-L15 HydrophobicContact CB-CB 4.47Å; V7-L15 HydrophobicContact CG1-CB 4.17Å; V7-L15 HydrophobicContact CG1-CD1 4.17Å; V7-L15 PolarHBondContact O-N 3.4Å; V7-Y16 PolarHBondContact N-O 2.82Å; V7-Y16 PolarHBondContact O-N 3.15Å; V7-Y16 VanDerWaalsContact O-N 3.08Å; V7-V78 HydrophobicContact CG1-CG1 3.63Å; V7-F80 HydrophobicContact CB-CD1 4.17Å; V7-F80 HydrophobicContact CB-CE1 4.37Å; V7-F80 HydrophobicContact CG1-CD1 3.82Å; V7-F80 HydrophobicContact CG1-CE1 3.64Å; V7-F80 HydrophobicContact CG2-CD1 3.81Å; V7-F80 HydrophobicContact CG2-CE1 4.02Å; V7-L103 HydrophobicContact CG2-CD1 4.42Å; V7-L103 HydrophobicContact CG2-CD2 4.45Å; V7-F107 HydrophobicContact CG1-CD2 3.89Å; V7-F107 HydrophobicContact CG1-CE2 3.76Å; V7-I122 HydrophobicContact CG1-CD1 4.43Å; V7-F127 HydrophobicContact CG2-CZ 3.96Å
8I98.6Very high96.5Very high5 Ų539.1 Ų39.13%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-114.8129.2-176.2-51.7-56.7000108.6A6 P14 I17 V32 L36 V78 K79A6-I8 HydrophobicContact CB-CD1 4.28Å; I8-P14 HydrophobicContact CD1-CB 3.92Å; I8-I17 HydrophobicContact CD1-CD1 4.35Å; I8-I17 HydrophobicContact CD1-CG1 4.5Å; I8-V32 HydrophobicContact CD1-CG1 3.75Å; I8-V32 HydrophobicContact CG1-CG1 3.87Å; I8-L36 HydrophobicContact CB-CD2 4.36Å; I8-L36 HydrophobicContact CG1-CD2 4.31Å; I8-L36 HydrophobicContact CG2-CD1 4.06Å; I8-L36 HydrophobicContact CG2-CD2 4.1Å; I8-V78 VanDerWaalsContact O-CG1 3.3Å; I8-V78 WeakPolarHBondContact O-CG1 3.43Å; I8-K79 HydrophobicContact CB-CB 4.27Å; I8-K79 HydrophobicContact CG2-CD 4.49Å; I8-K79 PolarHBondContact N-O 2.86Å; I8-K79 PolarHBondContact O-N 3.12Å
9A97.9Very high96.4Very high2 Ų237.6 Ų37.62%0.01718%0.179CC..  trans-61168.1179.300000112.3E11 N12 Y13 L15 K79A9-E11 PolarHBondContact O-N 2.83Å; A9-N12 PolarHBondContact O-N 2.82Å; A9-N12 VanDerWaalsContact O-N 3.1Å; A9-Y13 HydrophobicContact CB-CD1 3.76Å; A9-Y13 HydrophobicContact CB-CD2 3.9Å; A9-Y13 HydrophobicContact CB-CE1 3.42Å; A9-Y13 VanDerWaalsContact CB-CE1 3.42Å; A9-Y13 HydrophobicContact CB-CE2 3.59Å; A9-Y13 HydrophobicContact CB-CG 3.98Å; A9-Y13 WeakPolarHBondContact CB-O 3.36Å; A9-Y13 PolarHBondContact N-O 2.56Å; A9-L15 HydrophobicContact CB-CD1 4.04Å; A9-L15 HydrophobicContact CB-CD2 4.42Å; A9-L15 HydrophobicContact CB-CG 3.98Å; A9-K79 PolarHBondContact O-NZ 3.36Å
10K96.3Very high96.2Very high123 Ų12336.8 Ų36.854%0.53518%0.176SC..THydrogen-bonded Turntrans-56.6-37.9173.4172.4-177167.1-155.90111.5N12 K77 K79K10-N12 PolarHBondContact O-N 3.06Å; K10-K77 WeakPolarHBondContact CA-O 3.3Å; K10-K77 HydrophobicContact CB-CB 4.25Å; K10-K77 HydrophobicContact CD-CB 4.27Å; K10-K77 HydrophobicContact CG-CB 3.9Å; K10-K79 PolarHBondContact O-NZ 3.32Å
11E95.9Very high95.8Very high115 Ų11537.7 Ų37.754%0.53719%0.185SC..THydrogen-bonded Turntrans-88.220.2-179.6-57.667.4-148.300113A9 Y13A9-E11 PolarHBondContact O-N 2.83Å; E11-Y13 VanDerWaalsContact C-N 3.26Å; E11-Y13 HydrophobicContact CB-CD1 3.89Å; E11-Y13 HydrophobicContact CB-CE1 3.87Å; E11-Y13 PolarHBondContact O-N 3.33Å
12N96.4Very high95.4Very high55 Ų5537.3 Ų37.329%0.29419%0.192SC..SBendtrans66.711.9171.6-65.8-18.7000116.4A9 K10 L36 E40 K79A9-N12 PolarHBondContact O-N 2.82Å; A9-N12 VanDerWaalsContact O-N 3.1Å; K10-N12 PolarHBondContact O-N 3.06Å; N12-L36 HydrophobicContact CB-CD1 4.03Å; N12-E40 PolarHBondContact ND2-OE1 3.41Å; N12-K79 PolarHBondContact OD1-NZ 2.99Å
13Y96.2Very high94.8Very high93 Ų9345.7 Ų45.737%0.36523%0.231SC..  trans-88.5148.9167.265.7-91.1000111.6A9 E11 L15 G119A9-Y13 HydrophobicContact CB-CD1 3.76Å; A9-Y13 HydrophobicContact CB-CD2 3.9Å; A9-Y13 HydrophobicContact CB-CE1 3.42Å; A9-Y13 VanDerWaalsContact CB-CE1 3.42Å; A9-Y13 HydrophobicContact CB-CE2 3.59Å; A9-Y13 HydrophobicContact CB-CG 3.98Å; A9-Y13 WeakPolarHBondContact CB-O 3.36Å; A9-Y13 PolarHBondContact N-O 2.56Å; E11-Y13 VanDerWaalsContact C-N 3.26Å; E11-Y13 HydrophobicContact CB-CD1 3.89Å; E11-Y13 HydrophobicContact CB-CE1 3.87Å; E11-Y13 PolarHBondContact O-N 3.33Å; Y13-L15 HydrophobicContact CD2-CD2 4.31Å; Y13-L15 HydrophobicContact CE2-CD2 3.53Å; Y13-L15 HydrophobicContact CE2-CG 4.22Å; Y13-L15 PolarHBondContact O-N 3.14Å; Y13-G119 WeakPolarHBondContact CE2-O 3.27Å; Y13-G119 VanDerWaalsContact OH-CA 3.22Å; Y13-G119 WeakPolarHBondContact OH-CA 3.5Å
14P97.4Very high94Very high67 Ų6748.6 Ų48.644%0.43525%0.247SC..EExtended strand (participates in β ladder)trans-75.4126.8-179.430.1-33.8000111.4I8 I17I8-P14 HydrophobicContact CD1-CB 3.92Å; P14-I17 HydrophobicContact CB-CD1 3.66Å; P14-I17 HydrophobicContact CB-CG1 3.97Å; P14-I17 HydrophobicContact CG-CD1 4.43Å
15L98Very high93.6Very high11 Ų1152.8 Ų52.86%0.05827%0.266CS..EExtended strand (participates in β ladder)trans-88.3-29.8167.1-67.1171.7000111.1V7 A9 Y13 F107 P121 I122V7-L15 HydrophobicContact CB-CB 4.47Å; V7-L15 HydrophobicContact CG1-CB 4.17Å; V7-L15 HydrophobicContact CG1-CD1 4.17Å; V7-L15 PolarHBondContact O-N 3.4Å; A9-L15 HydrophobicContact CB-CD1 4.04Å; A9-L15 HydrophobicContact CB-CD2 4.42Å; A9-L15 HydrophobicContact CB-CG 3.98Å; Y13-L15 HydrophobicContact CD2-CD2 4.31Å; Y13-L15 HydrophobicContact CE2-CD2 3.53Å; Y13-L15 HydrophobicContact CE2-CG 4.22Å; Y13-L15 PolarHBondContact O-N 3.14Å; L15-F107 HydrophobicContact CD1-CE2 4.14Å; L15-P121 CarbonylContact O-C 3.55Å; L15-P121 WeakPolarHBondContact O-CA 3.39Å; L15-I122 HydrophobicContact CB-CD1 4.23Å; L15-I122 HydrophobicContact CB-CG1 4.28Å; L15-I122 PolarHBondContact O-N 3.06Å
16Y98.2Very high93.3Very high21 Ų2158.2 Ų58.28%0.08229%0.294CS..EExtended strand (participates in β ladder)trans-158.4133.6179.4-180-93.9000109.9A6 V7 R18 I122 F127 N128 V131A6-Y16 CarbonylContact C-O 3.58Å; A6-Y16 VanDerWaalsContact CA-O 3.25Å; A6-Y16 WeakPolarHBondContact CA-O 3.27Å; V7-Y16 PolarHBondContact N-O 2.82Å; V7-Y16 PolarHBondContact O-N 3.15Å; V7-Y16 VanDerWaalsContact O-N 3.08Å; Y16-R18 HydrophobicContact CE1-CB 3.63Å; Y16-R18 VanDerWaalsContact OH-CB 3.28Å; Y16-R18 WeakPolarHBondContact OH-CB 3.4Å; Y16-R18 WeakPolarHBondContact OH-CD 3.31Å; Y16-I122 HydrophobicContact CD2-CB 4.4Å; Y16-F127 AromaticContact CD1-CE1 3.83Å; Y16-F127 HydrophobicContact CD1-CE1 3.83Å; Y16-F127 HydrophobicContact CD2-CD1 4.22Å; Y16-F127 AromaticContact CD2-CE1 3.88Å; Y16-F127 HydrophobicContact CD2-CE1 3.88Å; Y16-F127 AromaticContact CE1-CE1 3.98Å; Y16-F127 HydrophobicContact CE1-CE1 3.98Å; Y16-F127 HydrophobicContact CE2-CD1 4.17Å; Y16-F127 HydrophobicContact CE2-CE1 4.06Å; Y16-F127 AromaticContact CG-CE1 3.74Å; Y16-F127 HydrophobicContact CG-CE1 3.74Å; Y16-N128 WeakPolarHBondContact CE2-OD1 3.46Å; Y16-N128 PolarHBondContact OH-OD1 3.28Å; Y16-V131 HydrophobicContact CE1-CB 4.38Å; Y16-V131 HydrophobicContact CE1-CG1 3.94Å; Y16-V131 HydrophobicContact CE1-CG2 3.92Å; Y16-V131 VanDerWaalsContact OH-CG1 3.31Å; Y16-V131 WeakPolarHBondContact OH-CG1 3.22Å
17I97Very high93.1Very high29 Ų2962.3 Ų62.315%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-137.1132.9167.2-65.3178.4000106.8A6 I8 P14 H29A6-I17 HydrophobicContact CB-CG1 3.88Å; I8-I17 HydrophobicContact CD1-CD1 4.35Å; I8-I17 HydrophobicContact CD1-CG1 4.5Å; P14-I17 HydrophobicContact CB-CD1 3.66Å; P14-I17 HydrophobicContact CB-CG1 3.97Å; P14-I17 HydrophobicContact CG-CD1 4.43Å; I17-H29 WeakPolarHBondContact CD1-CE1 3.4Å; I17-H29 WeakPolarHBondContact CD1-ND1 3.44Å
18R95.6Very high93Very high74 Ų7462.3 Ų62.328%0.27931%0.312SS..EExtended strand (participates in β ladder)trans-140.8131.4168.8-174.7178.1169.9-165.1-2.3110.1C4 I5 Y16 N128 S132 M135C4-R18 CarbonylContact C-O 3.51Å; C4-R18 VanDerWaalsContact CA-O 3.29Å; C4-R18 WeakPolarHBondContact CA-O 3.27Å; C4-R18 PolarHBondContact SG-O 3.25Å; I5-R18 PolarHBondContact N-O 3.22Å; I5-R18 PolarHBondContact O-N 3.49Å; Y16-R18 HydrophobicContact CE1-CB 3.63Å; Y16-R18 VanDerWaalsContact OH-CB 3.28Å; Y16-R18 WeakPolarHBondContact OH-CB 3.4Å; Y16-R18 WeakPolarHBondContact OH-CD 3.31Å; R18-N128 PolarHBondContact NH1-O 2.75Å; R18-N128 VanDerWaalsContact NH1-O 3.15Å; R18-S132 VanDerWaalsContact CZ-OG 3.3Å; R18-S132 PolarHBondContact NH1-OG 3Å; R18-S132 PolarHBondContact NH2-OG 3.2Å; R18-M135 HydrophobicContact CB-CE 4.49Å; R18-M135 HydrophobicContact CB-SD 4.31Å; R18-M135 WeakPolarHBondContact CD-SD 3.07Å; R18-M135 HydrophobicContact CG-CE 3.94Å; R18-M135 HydrophobicContact CG-SD 3.64Å; R18-M135 PolarHBondContact NE-SD 3.09Å; R18-M135 VanDerWaalsContact NE-SD 3.36Å; R18-M135 WeakPolarHBondContact O-CE 3.5Å
19S95.1Very high92.8Very high10 Ų1065.3 Ų65.37%0.0733%0.326CS..EExtended strand (participates in β ladder)trans-132.3156-179.9610000112.1V3 E25V3-S19 CarbonylContact O-C 3.58Å; V3-S19 VanDerWaalsContact O-CA 3.27Å; V3-S19 WeakPolarHBondContact O-CA 3.48Å; S19-E25 WeakPolarHBondContact OG-CA 3.48Å
20V92.1Very high92.7Very high21 Ų2172.2 Ų72.213%0.12735%0.353CS..SBendtrans-137.4129.1176.1172.60000107.8V3 M135 V136 T138V3-V20 PolarHBondContact O-N 3.28Å; V20-M135 HydrophobicContact CB-CE 4.01Å; V20-M135 HydrophobicContact CG2-CE 3.49Å; V20-M135 VanDerWaalsContact CG2-CE 3.49Å; V20-M135 HydrophobicContact CG2-SD 4.27Å; V20-V136 HydrophobicContact CB-CG2 4.19Å; V20-V136 HydrophobicContact CG1-CG2 3.9Å; V20-T138 HydrophobicContact CG1-CG2 3.25Å
21P87.2Confident92.8Very high56 Ų5667.1 Ų67.136%0.36433%0.332SS..SBendcis-71.3150.4-531.1-34.8000112Q23 N24P21-Q23 PolarHBondContact O-N 3.34Å; P21-Q23 VanDerWaalsContact O-N 3.15Å; P21-N24 PolarHBondContact O-N 2.87Å; P21-N24 VanDerWaalsContact O-N 3.14Å
22S80.2Confident92.8Very high91 Ų9161.8 Ų61.864%0.63631%0.307SS*.G310 helixtrans-62.2-21.6-179.650.50000113.8N24 E25S22-N24 PolarHBondContact O-N 2.64Å; S22-E25 WeakPolarHBondContact O-CB 3.43Å; S22-E25 PolarHBondContact O-N 3.21Å
23Q80.8Confident92.9Very high177 Ų17765 Ų6583%0.82732%0.32SS*.G310 helixtrans-62.7-24.1176.7-62.2174.37.900113P21P21-Q23 PolarHBondContact O-N 3.34Å; P21-Q23 VanDerWaalsContact O-N 3.15Å
24N79.4Confident92.9Very high71 Ų7163.9 Ų63.938%0.3832%0.323SS..G310 helixtrans-104.720.3-178.4-73.5-17000112.8P21 S22 L26 K27 F28P21-N24 PolarHBondContact O-N 2.87Å; P21-N24 VanDerWaalsContact O-N 3.14Å; S22-N24 PolarHBondContact O-N 2.64Å; N24-L26 VanDerWaalsContact C-N 3.3Å; N24-L26 PolarHBondContact O-N 2.69Å; N24-K27 WeakPolarHBondContact O-CB 3.45Å; N24-K27 PolarHBondContact O-N 2.98Å; N24-K27 VanDerWaalsContact O-N 3.09Å; N24-F28 HydrophobicContact CB-CD2 4.42Å; N24-F28 HydrophobicContact CB-CE2 4.15Å; N24-F28 VanDerWaalsContact O-CD2 3.27Å; N24-F28 WeakPolarHBondContact O-CD2 3.35Å; N24-F28 PolarHBondContact O-N 2.72Å
25E87.5Confident92.9Very high87 Ų8760.7 Ų60.741%0.40730%0.302SS..Hα-helixtrans-54.1-46.5-176.9-176.3164.8-144.200111.7S19 S22 K27 F28 H29S19-E25 WeakPolarHBondContact OG-CA 3.48Å; S22-E25 WeakPolarHBondContact O-CB 3.43Å; S22-E25 PolarHBondContact O-N 3.21Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.18Å; E25-F28 PolarHBondContact O-N 3.16Å; E25-H29 PolarHBondContact O-CD2 2.85Å; E25-H29 VanDerWaalsContact O-CD2 3.25Å; E25-H29 PolarHBondContact O-N 3.5Å; E25-H29 IonicContact OE1-NE2 2.87Å
26L93.1Very high92.9Very high114 Ų11460.5 Ų60.560%0.59730%0.301SS*.Hα-helixtrans-57.9-39.5179.1-173.463.7000113.2N24 F28 H29 Y30N24-L26 VanDerWaalsContact C-N 3.3Å; N24-L26 PolarHBondContact O-N 2.69Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.25Å; L26-H29 PolarHBondContact O-N 3.29Å; L26-Y30 HydrophobicContact CD1-CD2 4.2Å; L26-Y30 HydrophobicContact CD1-CE2 3.63Å; L26-Y30 HydrophobicContact CD2-CE2 4.03Å; L26-Y30 HydrophobicContact CG-CD2 4Å; L26-Y30 HydrophobicContact CG-CE2 3.56Å; L26-Y30 WeakPolarHBondContact O-CD2 3.27Å; L26-Y30 PolarHBondContact O-N 2.85Å; L26-Y30 VanDerWaalsContact O-N 3.13Å
27K94.1Very high92.8Very high86 Ų8664.8 Ų64.837%0.37433%0.326SS..Hα-helixtrans-57.6-47.6175.7-176-178.2-177-1800109.9N24 E25 Y30 T31 D66 Y67N24-K27 WeakPolarHBondContact O-CB 3.45Å; N24-K27 PolarHBondContact O-N 2.98Å; N24-K27 VanDerWaalsContact O-N 3.09Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.18Å; K27-Y30 PolarHBondContact O-N 3.25Å; K27-T31 PolarHBondContact O-N 2.91Å; K27-T31 PolarHBondContact O-OG1 3.11Å; K27-T31 VanDerWaalsContact O-OG1 3.06Å; K27-D66 IonicContact NZ-OD2 2.77Å; K27-D66 PolarHBondContact NZ-OD2 2.94Å; K27-Y67 HydrophobicContact CD-CE2 4.25Å
28F95.5Very high92.8Very high0 Ų065.1 Ų65.10%033%0.329CS..Hα-helixtrans-71-32.8-178.9-67.9-65.1000113.3V3 C4 N24 E25 L26 Y30 T31 V32 Y67 V83V3-F28 HydrophobicContact CB-CE1 4.39Å; V3-F28 HydrophobicContact CB-CZ 4.04Å; V3-F28 HydrophobicContact CG2-CE1 3.68Å; V3-F28 HydrophobicContact CG2-CZ 3.81Å; C4-F28 HydrophobicContact CB-CB 4Å; C4-F28 HydrophobicContact CB-CD1 3.55Å; C4-F28 HydrophobicContact CB-CD2 4.37Å; C4-F28 HydrophobicContact CB-CE1 4.06Å; C4-F28 HydrophobicContact CB-CG 3.72Å; N24-F28 HydrophobicContact CB-CD2 4.42Å; N24-F28 HydrophobicContact CB-CE2 4.15Å; N24-F28 VanDerWaalsContact O-CD2 3.27Å; N24-F28 WeakPolarHBondContact O-CD2 3.35Å; N24-F28 PolarHBondContact O-N 2.72Å; E25-F28 PolarHBondContact O-N 3.16Å; L26-F28 VanDerWaalsContact C-N 3.31Å; L26-F28 PolarHBondContact O-N 3.25Å; F28-Y30 VanDerWaalsContact C-N 3.34Å; F28-Y30 PolarHBondContact O-N 2.88Å; F28-T31 PolarHBondContact O-N 3.36Å; F28-V32 WeakPolarHBondContact O-CB 3.29Å; F28-V32 VanDerWaalsContact O-CG2 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.27Å; F28-V32 PolarHBondContact O-N 3.3Å; F28-Y67 HydrophobicContact CE1-CD2 4.33Å; F28-Y67 HydrophobicContact CE1-CE1 4.17Å; F28-Y67 AromaticContact CE1-CE2 3.89Å; F28-Y67 HydrophobicContact CE1-CE2 3.89Å; F28-Y67 AromaticContact CE1-CZ 3.82Å; F28-Y67 HydrophobicContact CZ-CE1 4.16Å; F28-Y67 HydrophobicContact CZ-CE2 4.19Å; F28-Y67 AromaticContact CZ-CZ 3.74Å; F28-V83 HydrophobicContact CD1-CG1 4.33Å; F28-V83 HydrophobicContact CE1-CG1 4.06Å
29H95.8Very high92.9Very high68 Ų6861.7 Ų61.732%0.31532%0.316SS..Hα-helixtrans-57.9-46.5170.1-85.8-99.4000111.4I17 E25 L26 V32 H33I17-H29 WeakPolarHBondContact CD1-CE1 3.4Å; I17-H29 WeakPolarHBondContact CD1-ND1 3.44Å; E25-H29 PolarHBondContact O-CD2 2.85Å; E25-H29 VanDerWaalsContact O-CD2 3.25Å; E25-H29 PolarHBondContact O-N 3.5Å; E25-H29 IonicContact OE1-NE2 2.87Å; L26-H29 PolarHBondContact O-N 3.29Å; H29-V32 PolarHBondContact O-N 3.19Å; H29-H33 VanDerWaalsContact O-CB 3.3Å; H29-H33 WeakPolarHBondContact O-CB 3.44Å; H29-H33 PolarHBondContact O-N 3.36Å
30Y95.9Very high92.8Very high148 Ų14865.5 Ų65.558%0.5833%0.333SS*.Hα-helixtrans-64.8-43.5175.9-73.7-61.9000112.6L26 K27 F28 V32 H33 T34L26-Y30 HydrophobicContact CD1-CD2 4.2Å; L26-Y30 HydrophobicContact CD1-CE2 3.63Å; L26-Y30 HydrophobicContact CD2-CE2 4.03Å; L26-Y30 HydrophobicContact CG-CD2 4Å; L26-Y30 HydrophobicContact CG-CE2 3.56Å; L26-Y30 WeakPolarHBondContact O-CD2 3.27Å; L26-Y30 PolarHBondContact O-N 2.85Å; L26-Y30 VanDerWaalsContact O-N 3.13Å; K27-Y30 PolarHBondContact O-N 3.25Å; F28-Y30 VanDerWaalsContact C-N 3.34Å; F28-Y30 PolarHBondContact O-N 2.88Å; Y30-V32 PolarHBondContact O-N 2.76Å; Y30-H33 PolarHBondContact O-N 3.25Å; Y30-T34 WeakPolarHBondContact O-CB 3.36Å; Y30-T34 WeakPolarHBondContact O-CG2 3.46Å; Y30-T34 PolarHBondContact O-N 3.31Å; Y30-T34 PolarHBondContact O-OG1 3.03Å
31T96.6Very high92.8Very high16 Ų1671.3 Ų71.310%0.09836%0.359CS..Hα-helixtrans-58.5-46.5176.3-590000111.7K27 F28 T34 S35 Y62 V69 V83K27-T31 PolarHBondContact O-N 2.91Å; K27-T31 PolarHBondContact O-OG1 3.11Å; K27-T31 VanDerWaalsContact O-OG1 3.06Å; F28-T31 PolarHBondContact O-N 3.36Å; T31-T34 PolarHBondContact O-OG1 3.5Å; T31-T34 VanDerWaalsContact O-OG1 3.09Å; T31-S35 WeakPolarHBondContact O-CB 3.26Å; T31-S35 PolarHBondContact O-N 2.86Å; T31-S35 VanDerWaalsContact O-N 3.11Å; T31-Y62 WeakPolarHBondContact CG2-OH 3.4Å; T31-Y62 PolarHBondContact O-OH 3.02Å; T31-V69 HydrophobicContact CG2-CG2 3.62Å; T31-V83 HydrophobicContact CG2-CG2 4.32Å
32V97.7Very high93Very high2 Ų271.7 Ų71.71%0.01236%0.355CS..Hα-helixtrans-65.7-44.7178.61710000110.6A6 I8 F28 H29 Y30 S35 V81A6-V32 HydrophobicContact CB-CB 4.41Å; A6-V32 HydrophobicContact CB-CG1 3.7Å; A6-V32 HydrophobicContact CB-CG2 3.82Å; I8-V32 HydrophobicContact CD1-CG1 3.75Å; I8-V32 HydrophobicContact CG1-CG1 3.87Å; F28-V32 WeakPolarHBondContact O-CB 3.29Å; F28-V32 VanDerWaalsContact O-CG2 3.26Å; F28-V32 WeakPolarHBondContact O-CG2 3.27Å; F28-V32 PolarHBondContact O-N 3.3Å; H29-V32 PolarHBondContact O-N 3.19Å; Y30-V32 PolarHBondContact O-N 2.76Å; V32-S35 WeakPolarHBondContact O-CB 3.16Å; V32-S35 PolarHBondContact O-N 3.4Å; V32-S35 PolarHBondContact O-OG 2.87Å; V32-V81 HydrophobicContact CG1-CB 4.33Å; V32-V81 HydrophobicContact CG1-CG2 4.23Å; V32-V81 HydrophobicContact CG2-CB 4.35Å; V32-V81 HydrophobicContact CG2-CG1 4.08Å
33H97.1Very high93.4Very high123 Ų12369.7 Ų69.757%0.56934%0.339SS*.Hα-helixtrans-63-48.6-178.8-171.868.5000112.3H29 Y30 S35 L36H29-H33 VanDerWaalsContact O-CB 3.3Å; H29-H33 WeakPolarHBondContact O-CB 3.44Å; H29-H33 PolarHBondContact O-N 3.36Å; Y30-H33 PolarHBondContact O-N 3.25Å; H33-S35 PolarHBondContact O-N 2.93Å; H33-L36 VanDerWaalsContact O-CB 3.31Å; H33-L36 WeakPolarHBondContact O-CB 3.45Å; H33-L36 WeakPolarHBondContact O-CG 3.35Å; H33-L36 PolarHBondContact O-N 3.34Å; H33-L36 VanDerWaalsContact O-N 3.11Å
34T96.8Very high93.6Very high69 Ų6965.8 Ų65.842%0.42333%0.331SS..Hα-helixtrans-65.1-23.1176.952.60000113.1Y30 T31 L36 Y62Y30-T34 WeakPolarHBondContact O-CB 3.36Å; Y30-T34 WeakPolarHBondContact O-CG2 3.46Å; Y30-T34 PolarHBondContact O-N 3.31Å; Y30-T34 PolarHBondContact O-OG1 3.03Å; T31-T34 PolarHBondContact O-OG1 3.5Å; T31-T34 VanDerWaalsContact O-OG1 3.09Å; T34-L36 PolarHBondContact O-N 3.49Å; T34-Y62 PolarHBondContact OG1-OH 3.11Å
35S98.1Very high93.6Very high0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-70.7-18174.8800000114.3T31 V32 H33 D37 V38 V39T31-S35 WeakPolarHBondContact O-CB 3.26Å; T31-S35 PolarHBondContact O-N 2.86Å; T31-S35 VanDerWaalsContact O-N 3.11Å; V32-S35 WeakPolarHBondContact O-CB 3.16Å; V32-S35 PolarHBondContact O-N 3.4Å; V32-S35 PolarHBondContact O-OG 2.87Å; H33-S35 PolarHBondContact O-N 2.93Å; S35-D37 VanDerWaalsContact C-N 3.3Å; S35-D37 PolarHBondContact O-N 3.26Å; S35-V38 PolarHBondContact O-N 3.04Å; S35-V39 WeakPolarHBondContact O-CG2 3.24Å; S35-V39 PolarHBondContact O-N 3.06Å; S35-V39 VanDerWaalsContact O-N 3.08Å
36L97.9Very high92.5Very high7 Ų762.8 Ų62.84%0.03733%0.327CS..Hα-helixtrans-65.5-34.8-178.9-61.2179.4000112I8 N12 H33 T34 V38 V39 E40 K79I8-L36 HydrophobicContact CB-CD2 4.36Å; I8-L36 HydrophobicContact CG1-CD2 4.31Å; I8-L36 HydrophobicContact CG2-CD1 4.06Å; I8-L36 HydrophobicContact CG2-CD2 4.1Å; N12-L36 HydrophobicContact CB-CD1 4.03Å; H33-L36 VanDerWaalsContact O-CB 3.31Å; H33-L36 WeakPolarHBondContact O-CB 3.45Å; H33-L36 WeakPolarHBondContact O-CG 3.35Å; H33-L36 PolarHBondContact O-N 3.34Å; H33-L36 VanDerWaalsContact O-N 3.11Å; T34-L36 PolarHBondContact O-N 3.49Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.42Å; L36-V39 WeakPolarHBondContact O-CB 3.37Å; L36-V39 PolarHBondContact O-N 3.13Å; L36-E40 WeakPolarHBondContact O-CG 3.28Å; L36-E40 PolarHBondContact O-N 2.93Å; L36-K79 HydrophobicContact CD2-CB 4.32Å; L36-K79 HydrophobicContact CD2-CD 4.35Å; L36-K79 HydrophobicContact CD2-CG 4.32Å
37D96.6Very high90.8Very high112 Ų11259.7 Ų59.760%0.59932%0.322SS*.Hα-helixtrans-60.7-44.4176.9-59.7-42.7000111.2S35 V39 E40 E41S35-D37 VanDerWaalsContact C-N 3.3Å; S35-D37 PolarHBondContact O-N 3.26Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 2.99Å; D37-E40 PolarHBondContact O-N 3.12Å; D37-E41 PolarHBondContact O-N 3.34Å
38V96.6Very high89.1Confident35 Ų3565 Ų6521%0.21235%0.345CS..Hα-helixtrans-67.3-36.1177.5-174.60000111.4S35 L36 K42 L61 Y62S35-V38 PolarHBondContact O-N 3.04Å; L36-V38 VanDerWaalsContact C-N 3.34Å; L36-V38 PolarHBondContact O-N 3.42Å; V38-K42 WeakPolarHBondContact O-CG 3.44Å; V38-K42 PolarHBondContact O-N 3.1Å; V38-L61 HydrophobicContact CB-CB 4.4Å; V38-L61 HydrophobicContact CG1-CB 3.98Å; V38-L61 HydrophobicContact CG1-CD2 4.17Å; V38-Y62 HydrophobicContact CG2-CD1 4.11Å
39V96.1Very high87.4Confident3 Ų367.1 Ų67.12%0.01836%0.36CS..Hα-helixtrans-61.8-46.41741690000110.5S35 L36 D37 K42 V43 L58 L61 V73 K79S35-V39 WeakPolarHBondContact O-CG2 3.24Å; S35-V39 PolarHBondContact O-N 3.06Å; S35-V39 VanDerWaalsContact O-N 3.08Å; L36-V39 WeakPolarHBondContact O-CB 3.37Å; L36-V39 PolarHBondContact O-N 3.13Å; D37-V39 VanDerWaalsContact C-N 3.33Å; D37-V39 PolarHBondContact O-N 2.99Å; V39-K42 PolarHBondContact O-N 3.3Å; V39-V43 HydrophobicContact CG1-CG2 4.3Å; V39-V43 WeakPolarHBondContact O-CB 3.13Å; V39-V43 VanDerWaalsContact O-CG2 3.26Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 2.71Å; V39-L58 HydrophobicContact CB-CD1 4.21Å; V39-L58 HydrophobicContact CG1-CD1 3.8Å; V39-L58 HydrophobicContact CG2-CD1 4.07Å; V39-L61 HydrophobicContact CG2-CD1 3.6Å; V39-L61 HydrophobicContact CG2-CD2 4Å; V39-L61 HydrophobicContact CG2-CG 4.47Å; V39-V73 HydrophobicContact CG1-CG2 3.36Å; V39-K79 HydrophobicContact CG1-CG 3.91Å
40E93.4Very high85.6Confident90 Ų9071 Ų7142%0.42138%0.382SS..Hα-helixtrans-63.6-41.4179.4-72.5-177.4-17400112.1N12 L36 D37 S44N12-E40 PolarHBondContact ND2-OE1 3.41Å; L36-E40 WeakPolarHBondContact O-CG 3.28Å; L36-E40 PolarHBondContact O-N 2.93Å; D37-E40 PolarHBondContact O-N 3.12Å; E40-S44 WeakPolarHBondContact O-CB 3.31Å; E40-S44 PolarHBondContact O-N 3.31Å; E40-S44 PolarHBondContact O-OG 2.86Å
41E92.6Very high83.9Confident142 Ų14267.8 Ų67.866%0.66439%0.387SS*.Hα-helixtrans-59.9-49.9174.6-172.2-174.7166.900111.4D37 V43 S44 A45D37-E41 PolarHBondContact O-N 3.34Å; E41-V43 PolarHBondContact O-N 3.49Å; E41-S44 PolarHBondContact O-N 3.27Å; E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 2.96Å
42K90.6Very high82.1Confident65 Ų6570.7 Ų70.728%0.28340%0.401SS..Hα-helixtrans-63.4-44.2-179.9-77.1-170168.6-167.10112.4V38 V39 S44 A45 V46 L58 L60 L61V38-K42 WeakPolarHBondContact O-CG 3.44Å; V38-K42 PolarHBondContact O-N 3.1Å; V39-K42 PolarHBondContact O-N 3.3Å; K42-S44 PolarHBondContact O-N 3.26Å; K42-A45 PolarHBondContact O-N 3.17Å; K42-V46 VanDerWaalsContact O-CG2 3.22Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.09Å; K42-L58 HydrophobicContact CB-CD1 4.36Å; K42-L58 HydrophobicContact CB-CD2 4.42Å; K42-L58 HydrophobicContact CD-CB 4.12Å; K42-L58 PolarHBondContact NZ-O 3.09Å; K42-L60 PolarHBondContact NZ-O 3.47Å; K42-L61 HydrophobicContact CD-CD2 4.06Å
43V88.7Confident80.2Confident49 Ų4976 Ų7630%0.29743%0.426SS..Hα-helixtrans-61.7-35.9177170.90000111V39 E41 L58 V73V39-V43 HydrophobicContact CG1-CG2 4.3Å; V39-V43 WeakPolarHBondContact O-CB 3.13Å; V39-V43 VanDerWaalsContact O-CG2 3.26Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 2.71Å; E41-V43 PolarHBondContact O-N 3.49Å; V43-L58 HydrophobicContact CG2-CD1 4.31Å; V43-L58 HydrophobicContact CG2-CD2 4.49Å; V43-V73 HydrophobicContact CG2-CB 4.4Å; V43-V73 HydrophobicContact CG2-CG1 4.43Å; V43-V73 HydrophobicContact CG2-CG2 4.08Å
44S85.8Confident78.7Confident95 Ų9580.7 Ų80.766%0.66444%0.439SS*.Hα-helixtrans-72.4-35.6176.9-57.50000112.5E40 E41 K42E40-S44 WeakPolarHBondContact O-CB 3.31Å; E40-S44 PolarHBondContact O-N 3.31Å; E40-S44 PolarHBondContact O-OG 2.86Å; E41-S44 PolarHBondContact O-N 3.27Å; K42-S44 PolarHBondContact O-N 3.26Å
45A78.2Confident78Confident55 Ų5581.5 Ų81.546%0.45544%0.438SS..Hα-helixtrans-71-34.2178.200000113.4E41 K42 G47 K48E41-A45 WeakPolarHBondContact O-CB 3.48Å; E41-A45 PolarHBondContact O-N 2.96Å; K42-A45 PolarHBondContact O-N 3.17Å; A45-G47 PolarHBondContact O-N 2.97Å; A45-G47 VanDerWaalsContact O-N 3.09Å; A45-K48 PolarHBondContact O-N 3.23Å
46V64.8Low77.8Confident40 Ų4084.3 Ų84.324%0.24245%0.453CS..G310 helixtrans-60.8-16178.2164.70000113.1K42 K48 D52 Q53K42-V46 VanDerWaalsContact O-CG2 3.22Å; K42-V46 WeakPolarHBondContact O-CG2 3.46Å; K42-V46 PolarHBondContact O-N 3.09Å; V46-K48 PolarHBondContact O-N 3.15Å; V46-D52 VanDerWaalsContact CG1-C 3.44Å; V46-D52 HydrophobicContact CG1-CB 4.02Å; V46-D52 VanDerWaalsContact CG1-O 3.24Å; V46-D52 WeakPolarHBondContact CG1-O 3.36Å; V46-Q53 HydrophobicContact CG1-CG 4.25Å
47G57.5Low77.7Confident49 Ų4984.9 Ų84.951%0.50545%0.454SS..G310 helixtrans-62.6-4.5175.500000116.1A45A45-G47 PolarHBondContact O-N 2.97Å; A45-G47 VanDerWaalsContact O-N 3.09Å
48K58.2Low77.6Confident196 Ų19680.5 Ų80.585%0.85243%0.431SS*.G310 helixtrans-94.1-13.5-174.1-63.4179.7-176.81760115A45 V46A45-K48 PolarHBondContact O-N 3.23Å; V46-K48 PolarHBondContact O-N 3.15Å
49S61Low77.5Confident46 Ų4679.5 Ų79.532%0.32243%0.428SS..  trans-140.8126.9-178.5170.60000111.5A51 D52 Q53S49-A51 PolarHBondContact O-N 3.15Å; S49-A51 PolarHBondContact OG-N 3.49Å; S49-D52 WeakPolarHBondContact CB-OD2 3.37Å; S49-D52 PolarHBondContact O-N 2.96Å; S49-D52 VanDerWaalsContact O-N 3.16Å; S49-Q53 PolarHBondContact O-N 2.97Å
50L57.3Low77.5Confident148 Ų14882.7 Ų82.778%0.77544%0.444SS*.THydrogen-bonded Turntrans-61.6-25.7179-80.9159.9000113.6
51A60.6Low77.7Confident81 Ų8179.1 Ų79.167%0.66943%0.428SS*.THydrogen-bonded Turntrans-75-37.1176.500000111.9S49S49-A51 PolarHBondContact O-N 3.15Å; S49-A51 PolarHBondContact OG-N 3.49Å
52D59Low77.9Confident77 Ų7774.8 Ų74.841%0.41241%0.406SS..G310 helixtrans-75.2-27.3179.4-69.9-26.8000112.1V46 S49 R54 E55V46-D52 VanDerWaalsContact CG1-C 3.44Å; V46-D52 HydrophobicContact CG1-CB 4.02Å; V46-D52 VanDerWaalsContact CG1-O 3.24Å; V46-D52 WeakPolarHBondContact CG1-O 3.36Å; S49-D52 WeakPolarHBondContact CB-OD2 3.37Å; S49-D52 PolarHBondContact O-N 2.96Å; S49-D52 VanDerWaalsContact O-N 3.16Å; D52-R54 PolarHBondContact O-N 2.88Å; D52-E55 PolarHBondContact O-N 2.83Å
53Q58.4Low78.1Confident114 Ų11475.8 Ų75.853%0.53342%0.419SS..G310 helixtrans-59.3-16.8-178.8-79-166.8-14.200115V46 S49V46-Q53 HydrophobicContact CG1-CG 4.25Å; S49-Q53 PolarHBondContact O-N 2.97Å
54R65.5Low78.2Confident221 Ų22175.9 Ų75.983%0.83442%0.42SS*.G310 helixtrans-98.6-9.5179.2-65.1-177.6179-177.4-0.3113.4D52 L56D52-R54 PolarHBondContact O-N 2.88Å; R54-L56 PolarHBondContact O-N 2.88Å
55E81.8Confident78.4Confident87 Ų8780.1 Ų80.141%0.40743%0.429SS..  trans-80.4104.9-178.6-159.7168.9-159.300110.3D52 Y57 R97D52-E55 PolarHBondContact O-N 2.83Å; E55-Y57 VanDerWaalsContact C-N 3.28Å; E55-R97 IonicContact OE1-CZ 3.93Å; E55-R97 IonicContact OE1-NH1 3.82Å; E55-R97 PolarHBondContact OE1-NH1 3Å; E55-R97 IonicContact OE1-NH2 3.67Å; E55-R97 PolarHBondContact OE1-NH2 3.22Å
56L93.4Very high79.1Confident58 Ų5881 Ų8130%0.30443%0.426SS..  trans-74.7-21.3178.3-57.3178000112.3R54 Y72 V73R54-L56 PolarHBondContact O-N 2.88Å; L56-Y72 HydrophobicContact CB-CD2 4.21Å; L56-Y72 HydrophobicContact CB-CE1 3.92Å; L56-Y72 HydrophobicContact CB-CE2 3.55Å; L56-Y72 WeakPolarHBondContact CB-OH 3.45Å; L56-Y72 HydrophobicContact CD1-CE1 4.42Å; L56-Y72 WeakPolarHBondContact CD1-OH 3.48Å; L56-Y72 CarbonylContact O-C 3.5Å; L56-Y72 VanDerWaalsContact O-CA 3.27Å; L56-Y72 WeakPolarHBondContact O-CA 3.45Å; L56-Y72 WeakPolarHBondContact O-CD2 3.33Å; L56-V73 WeakPolarHBondContact CB-O 3.42Å; L56-V73 VanDerWaalsContact CD2-O 3.27Å; L56-V73 WeakPolarHBondContact CD2-O 3.3Å; L56-V73 PolarHBondContact O-N 3.3Å
57Y95.4Very high80.5Confident19 Ų1980.1 Ų80.18%0.07542%0.419CS..EExtended strand (participates in β ladder)trans-89.2118.2179.1175.1-120.9000110.1E55 G59 Y70 D93 I96 R97 F100E55-Y57 VanDerWaalsContact C-N 3.28Å; Y57-G59 VanDerWaalsContact C-N 3.34Å; Y57-G59 VanDerWaalsContact CZ-CA 3.44Å; Y57-Y70 WeakPolarHBondContact OH-CD1 3.29Å; Y57-D93 VanDerWaalsContact CE1-OD1 3.3Å; Y57-D93 WeakPolarHBondContact CE1-OD1 3.45Å; Y57-D93 WeakPolarHBondContact CE1-OD2 3.46Å; Y57-D93 PolarHBondContact OH-OD1 2.78Å; Y57-I96 HydrophobicContact CE2-CG2 3.96Å; Y57-R97 HydrophobicContact CD1-CG 3.67Å; Y57-R97 HydrophobicContact CE1-CG 3.65Å; Y57-R97 HydrophobicContact CG-CG 4.09Å; Y57-F100 AromaticContact CD2-CD2 3.71Å; Y57-F100 HydrophobicContact CD2-CD2 3.71Å; Y57-F100 AromaticContact CD2-CE2 3.9Å; Y57-F100 HydrophobicContact CD2-CE2 3.9Å; Y57-F100 AromaticContact CE2-CD2 3.75Å; Y57-F100 HydrophobicContact CE2-CD2 3.75Å; Y57-F100 AromaticContact CE2-CE2 3.65Å; Y57-F100 HydrophobicContact CE2-CE2 3.65Å
58L94.7Very high82.4Confident21 Ų2180.5 Ų80.511%0.1141%0.406CS..EExtended strand (participates in β ladder)trans-89.1-2.4-176.6-58.1-175.5000113.4V39 K42 V43 L61 G71 V73V39-L58 HydrophobicContact CB-CD1 4.21Å; V39-L58 HydrophobicContact CG1-CD1 3.8Å; V39-L58 HydrophobicContact CG2-CD1 4.07Å; K42-L58 HydrophobicContact CB-CD1 4.36Å; K42-L58 HydrophobicContact CB-CD2 4.42Å; K42-L58 HydrophobicContact CD-CB 4.12Å; K42-L58 PolarHBondContact NZ-O 3.09Å; V43-L58 HydrophobicContact CG2-CD1 4.31Å; V43-L58 HydrophobicContact CG2-CD2 4.49Å; L58-L61 HydrophobicContact CB-CD2 4.08Å; L58-L61 HydrophobicContact CD1-CD2 4.34Å; L58-G71 WeakPolarHBondContact CB-O 3.42Å; L58-G71 PolarHBondContact N-O 3.02Å; L58-V73 HydrophobicContact CD1-CG2 3.62Å; L58-V73 HydrophobicContact CG-CG2 4.31Å
59G94.8Very high84.3Confident14 Ų1471.2 Ų71.214%0.14437%0.366CS..EExtended strand (participates in β ladder)trans73.6-157.5-175.300000113.3Y57 L61 Y70 G71Y57-G59 VanDerWaalsContact C-N 3.34Å; Y57-G59 VanDerWaalsContact CZ-CA 3.44Å; G59-L61 PolarHBondContact O-N 3.46Å; G59-Y70 WeakPolarHBondContact O-CA 3.42Å; G59-G71 PolarHBondContact O-N 2.95Å
60L95.9Very high86Confident69 Ų6970 Ų7036%0.36136%0.355SS..EExtended strand (participates in β ladder)trans-63.7124.5168.9-177.770.1000109K42 K68 Y70K42-L60 PolarHBondContact NZ-O 3.47Å; L60-K68 HydrophobicContact CD1-CB 3.79Å; L60-K68 HydrophobicContact CD1-CG 4.31Å; L60-Y70 HydrophobicContact CB-CD1 4.26Å; L60-Y70 HydrophobicContact CB-CE1 4.02Å; L60-Y70 HydrophobicContact CD1-CE1 4.2Å; L60-Y70 HydrophobicContact CD1-CE2 4.3Å
61L96.9Very high88Confident16 Ų1663 Ų638%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-79.8-59.3173.3-60.8-179.6000109.4V38 V39 K42 L58 G59 V69V38-L61 HydrophobicContact CB-CB 4.4Å; V38-L61 HydrophobicContact CG1-CB 3.98Å; V38-L61 HydrophobicContact CG1-CD2 4.17Å; V39-L61 HydrophobicContact CG2-CD1 3.6Å; V39-L61 HydrophobicContact CG2-CD2 4Å; V39-L61 HydrophobicContact CG2-CG 4.47Å; K42-L61 HydrophobicContact CD-CD2 4.06Å; L58-L61 HydrophobicContact CB-CD2 4.08Å; L58-L61 HydrophobicContact CD1-CD2 4.34Å; G59-L61 PolarHBondContact O-N 3.46Å; L61-V69 WeakPolarHBondContact CB-O 3.29Å; L61-V69 HydrophobicContact CD1-CG1 4.23Å; L61-V69 PolarHBondContact N-O 3.31Å
62Y96.6Very high89.8Confident51 Ų5160.1 Ų60.120%0.229%0.29CS..EExtended strand (participates in β ladder)trans-156.8151.1172.562-86.6000110.5T31 T34 V38 T64 V69T31-Y62 WeakPolarHBondContact CG2-OH 3.4Å; T31-Y62 PolarHBondContact O-OH 3.02Å; T34-Y62 PolarHBondContact OG1-OH 3.11Å; V38-Y62 HydrophobicContact CG2-CD1 4.11Å; Y62-T64 HydrophobicContact CD2-CG2 3.96Å; Y62-T64 HydrophobicContact CE2-CG2 3.63Å; Y62-V69 HydrophobicContact CD1-CB 4.47Å; Y62-V69 HydrophobicContact CD2-CG2 4.37Å; Y62-V69 HydrophobicContact CE1-CB 4.25Å; Y62-V69 HydrophobicContact CE1-CG1 4.29Å; Y62-V69 HydrophobicContact CE1-CG2 4.31Å; Y62-V69 HydrophobicContact CE2-CG2 3.87Å; Y62-V69 PolarHBondContact O-N 2.78Å; Y62-V69 VanDerWaalsContact O-N 3.09Å
63P95.2Very high91.6Very high85 Ų8557 Ų5755%0.55227%0.274SS*.EExtended strand (participates in β ladder)trans-88.2150.9165.735.3-31.7000111.1
64T92.1Very high93.4Very high52 Ų5251.8 Ų51.832%0.31925%0.249SC..  trans-114.1179.2159.871.80000108.7Y62 D66 Y67Y62-T64 HydrophobicContact CD2-CG2 3.96Å; Y62-T64 HydrophobicContact CE2-CG2 3.63Å; T64-D66 PolarHBondContact O-N 3.09Å; T64-Y67 PolarHBondContact N-O 2.93Å; T64-Y67 WeakPolarHBondContact OG1-CB 3.43Å; T64-Y67 PolarHBondContact OG1-N 3.24Å; T64-Y67 PolarHBondContact OG1-O 3.33Å
65E89.3Confident94.6Very high184 Ų18447.5 Ų47.586%0.8624%0.243SC*.SBendtrans-54.9-52.8173.6-171173.1-172.500111.2
66D92.3Very high95.2Very high73 Ų7346.3 Ų46.339%0.3924%0.244SC..SBendtrans-87.3-21.4-175.8-52.6-38.8000114.8K27 T64 S86K27-D66 IonicContact NZ-OD2 2.77Å; K27-D66 PolarHBondContact NZ-OD2 2.94Å; T64-D66 PolarHBondContact O-N 3.09Å; D66-S86 WeakPolarHBondContact O-CB 3.35Å; D66-S86 PolarHBondContact O-N 2.8Å
67Y95.1Very high95.3Very high22 Ų2248.4 Ų48.49%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-139.9157-162.8-55.4-58.6000114.6V3 K27 F28 T64 V83 V84 S86V3-Y67 HydrophobicContact CG2-CD1 3.84Å; V3-Y67 HydrophobicContact CG2-CE1 3.81Å; K27-Y67 HydrophobicContact CD-CE2 4.25Å; F28-Y67 HydrophobicContact CE1-CD2 4.33Å; F28-Y67 HydrophobicContact CE1-CE1 4.17Å; F28-Y67 AromaticContact CE1-CE2 3.89Å; F28-Y67 HydrophobicContact CE1-CE2 3.89Å; F28-Y67 AromaticContact CE1-CZ 3.82Å; F28-Y67 HydrophobicContact CZ-CE1 4.16Å; F28-Y67 HydrophobicContact CZ-CE2 4.19Å; F28-Y67 AromaticContact CZ-CZ 3.74Å; T64-Y67 PolarHBondContact N-O 2.93Å; T64-Y67 WeakPolarHBondContact OG1-CB 3.43Å; T64-Y67 PolarHBondContact OG1-N 3.24Å; T64-Y67 PolarHBondContact OG1-O 3.33Å; Y67-V83 HydrophobicContact CD1-CG1 4.18Å; Y67-V83 HydrophobicContact CG-CG1 3.89Å; Y67-V84 CarbonylContact C-O 3.5Å; Y67-V84 VanDerWaalsContact CA-O 3.27Å; Y67-V84 WeakPolarHBondContact CA-O 3.31Å; Y67-S86 WeakPolarHBondContact CA-OG 3.45Å; Y67-S86 PolarHBondContact N-OG 2.93Å; Y67-S86 VanDerWaalsContact N-OG 3.11Å; Y67-S86 PolarHBondContact O-OG 3.06Å
68K96.6Very high95.4Very high57 Ų5748.1 Ų48.125%0.24825%0.251CS..EExtended strand (participates in β ladder)trans-116.4126.6166.8-65171-172.5162.30109L60 Y70 V83 V84 S86L60-K68 HydrophobicContact CD1-CB 3.79Å; L60-K68 HydrophobicContact CD1-CG 4.31Å; K68-Y70 HydrophobicContact CB-CD2 4.37Å; K68-Y70 HydrophobicContact CB-CE2 3.61Å; K68-V83 WeakPolarHBondContact O-CA 3.4Å; K68-V84 HydrophobicContact CB-CG2 3.81Å; K68-V84 PolarHBondContact N-O 3.44Å; K68-V84 PolarHBondContact O-N 3.2Å; K68-S86 PolarHBondContact NZ-O 2.98Å
69V97.9Very high95.6Very high0 Ų048 Ų480%025%0.25CC..EExtended strand (participates in β ladder)trans-104.9117.5-177.8-1720000109.3T31 L61 Y62 V81 V83T31-V69 HydrophobicContact CG2-CG2 3.62Å; L61-V69 WeakPolarHBondContact CB-O 3.29Å; L61-V69 HydrophobicContact CD1-CG1 4.23Å; L61-V69 PolarHBondContact N-O 3.31Å; Y62-V69 HydrophobicContact CD1-CB 4.47Å; Y62-V69 HydrophobicContact CD2-CG2 4.37Å; Y62-V69 HydrophobicContact CE1-CB 4.25Å; Y62-V69 HydrophobicContact CE1-CG1 4.29Å; Y62-V69 HydrophobicContact CE1-CG2 4.31Å; Y62-V69 HydrophobicContact CE2-CG2 3.87Å; Y62-V69 PolarHBondContact O-N 2.78Å; Y62-V69 VanDerWaalsContact O-N 3.09Å; V69-V81 HydrophobicContact CG1-CG1 3.65Å; V69-V83 HydrophobicContact CG1-CG2 4.46Å; V69-V83 HydrophobicContact CG2-CG1 4.44Å; V69-V83 HydrophobicContact CG2-CG2 4.49Å
70Y98.1Very high95.7Very high22 Ų2247.3 Ų47.39%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-108.3147.1179-64.6-93.8000111.2Y57 G59 L60 K68 V81 I82 V84 I96Y57-Y70 WeakPolarHBondContact OH-CD1 3.29Å; G59-Y70 WeakPolarHBondContact O-CA 3.42Å; L60-Y70 HydrophobicContact CB-CD1 4.26Å; L60-Y70 HydrophobicContact CB-CE1 4.02Å; L60-Y70 HydrophobicContact CD1-CE1 4.2Å; L60-Y70 HydrophobicContact CD1-CE2 4.3Å; K68-Y70 HydrophobicContact CB-CD2 4.37Å; K68-Y70 HydrophobicContact CB-CE2 3.61Å; Y70-V81 WeakPolarHBondContact O-CA 3.35Å; Y70-I82 PolarHBondContact N-O 3.21Å; Y70-I82 PolarHBondContact O-N 2.85Å; Y70-V84 HydrophobicContact CD2-CG2 4.27Å; Y70-V84 HydrophobicContact CE2-CG2 3.68Å; Y70-I96 HydrophobicContact CD1-CG2 3.87Å; Y70-I96 HydrophobicContact CD2-CD1 4.47Å; Y70-I96 HydrophobicContact CD2-CG2 4.33Å; Y70-I96 HydrophobicContact CE1-CG1 4.4Å; Y70-I96 HydrophobicContact CE1-CG2 4.45Å; Y70-I96 HydrophobicContact CE2-CD1 4.38Å; Y70-I96 HydrophobicContact CE2-CG1 4.38Å; Y70-I96 HydrophobicContact CG-CG2 3.8Å
71G98.1Very high95.9Very high0 Ų044 Ų440%023%0.226CC..EExtended strand (participates in β ladder)trans-123.4147.5-176.300000113.7L58 G59L58-G71 WeakPolarHBondContact CB-O 3.42Å; L58-G71 PolarHBondContact N-O 3.02Å; G59-G71 PolarHBondContact O-N 2.95Å
72Y97.9Very high95.9Very high21 Ų2143.3 Ų43.38%0.08222%0.222CC..EExtended strand (participates in β ladder)trans-145.1139.1171.6-179.1-77.9000108.9L56 T74 K79 F80 F100 H104L56-Y72 HydrophobicContact CB-CD2 4.21Å; L56-Y72 HydrophobicContact CB-CE1 3.92Å; L56-Y72 HydrophobicContact CB-CE2 3.55Å; L56-Y72 WeakPolarHBondContact CB-OH 3.45Å; L56-Y72 HydrophobicContact CD1-CE1 4.42Å; L56-Y72 WeakPolarHBondContact CD1-OH 3.48Å; L56-Y72 CarbonylContact O-C 3.5Å; L56-Y72 VanDerWaalsContact O-CA 3.27Å; L56-Y72 WeakPolarHBondContact O-CA 3.45Å; L56-Y72 WeakPolarHBondContact O-CD2 3.33Å; Y72-T74 HydrophobicContact CE1-CG2 4.13Å; Y72-K79 CarbonylContact O-C 3.58Å; Y72-K79 WeakPolarHBondContact O-CA 3.46Å; Y72-F80 AromaticContact CD1-CD2 3.46Å; Y72-F80 HydrophobicContact CD1-CD2 3.46Å; Y72-F80 VanDerWaalsContact CD1-CD2 3.46Å; Y72-F80 AromaticContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CG 4.26Å; Y72-F80 AromaticContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CD2 3.98Å; Y72-F80 AromaticContact CE1-CE2 3.98Å; Y72-F80 HydrophobicContact CE1-CE2 3.98Å; Y72-F80 HydrophobicContact CG-CD2 4.21Å; Y72-F80 PolarHBondContact N-O 3.12Å; Y72-F80 PolarHBondContact O-N 3.3Å; Y72-F100 VanDerWaalsContact CB-CE1 3.42Å; Y72-F100 HydrophobicContact CD2-CB 3.69Å; Y72-F100 HydrophobicContact CD2-CD1 4.24Å; Y72-F100 HydrophobicContact CD2-CD2 4.47Å; Y72-F100 AromaticContact CD2-CG 3.9Å; Y72-F100 HydrophobicContact CD2-CG 3.9Å; Y72-F100 HydrophobicContact CE2-CB 4.19Å; Y72-F100 HydrophobicContact CG-CB 4.12Å; Y72-F100 AromaticContact CG-CD1 3.85Å; Y72-F100 HydrophobicContact CG-CD1 3.85Å; Y72-F100 HydrophobicContact CG-CE1 4.45Å; Y72-F100 AromaticContact CG-CG 4Å; Y72-F100 HydrophobicContact CG-CG 4Å; Y72-H104 AromaticContact CE1-ND1 3.44Å; Y72-H104 WeakPolarHBondContact CE1-ND1 3.38Å; Y72-H104 AromaticContact CZ-ND1 3.5Å; Y72-H104 PolarHBondContact OH-ND1 3.41Å
73V97.1Very high96Very high12 Ų1240.9 Ų40.97%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-128.4125.8179.2-179.30000109.2V39 V43 L56 L58 V78 K79V39-V73 HydrophobicContact CG1-CG2 3.36Å; V43-V73 HydrophobicContact CG2-CB 4.4Å; V43-V73 HydrophobicContact CG2-CG1 4.43Å; V43-V73 HydrophobicContact CG2-CG2 4.08Å; L56-V73 WeakPolarHBondContact CB-O 3.42Å; L56-V73 VanDerWaalsContact CD2-O 3.27Å; L56-V73 WeakPolarHBondContact CD2-O 3.3Å; L56-V73 PolarHBondContact O-N 3.3Å; L58-V73 HydrophobicContact CD1-CG2 3.62Å; L58-V73 HydrophobicContact CG-CG2 4.31Å; V73-V78 WeakPolarHBondContact CA-O 3.37Å; V73-K79 HydrophobicContact CG2-CB 4.5Å; V73-K79 HydrophobicContact CG2-CG 4.07Å
74T95.8Very high96Very high3 Ų336.9 Ų36.92%0.01819%0.186CC..  trans-71.6163.1175.969.50000110.8Y72 S76 K77 V78 F80Y72-T74 HydrophobicContact CE1-CG2 4.13Å; T74-S76 PolarHBondContact O-N 3.3Å; T74-S76 PolarHBondContact OG1-N 3.42Å; T74-S76 PolarHBondContact OG1-OG 3.26Å; T74-K77 WeakPolarHBondContact O-CA 3.41Å; T74-K77 PolarHBondContact O-N 3.46Å; T74-K77 PolarHBondContact OG1-N 3.39Å; T74-V78 HydrophobicContact CG2-CB 4.15Å; T74-V78 PolarHBondContact N-O 2.95Å; T74-V78 WeakPolarHBondContact OG1-CB 3.25Å; T74-V78 PolarHBondContact OG1-N 2.89Å; T74-V78 PolarHBondContact OG1-O 3.45Å; T74-F80 HydrophobicContact CG2-CE1 4.3Å; T74-F80 HydrophobicContact CG2-CE2 3.88Å; T74-F80 HydrophobicContact CG2-CZ 3.66Å
75N92.5Very high96.1Very high131 Ų13137.1 Ų37.170%0.70119%0.186SC*.THydrogen-bonded Turntrans-60.7-26.5168.762.1-36.1000112.7K77N75-K77 PolarHBondContact O-N 3.34Å
76S93.6Very high96.1Very high63 Ų6329.8 Ų29.844%0.44116%0.155SC..THydrogen-bonded Turntrans-79.37171.358.30000114.4T74 V78T74-S76 PolarHBondContact O-N 3.3Å; T74-S76 PolarHBondContact OG1-N 3.42Å; T74-S76 PolarHBondContact OG1-OG 3.26Å; S76-V78 PolarHBondContact O-N 3.45Å
77K94.7Very high95.9Very high102 Ų10230.7 Ų30.744%0.44317%0.167SC..  trans65.719.1177.9-52.1-62.3-175.3177.90114.9K10 T74 N75 K79K10-K77 WeakPolarHBondContact CA-O 3.3Å; K10-K77 HydrophobicContact CB-CB 4.25Å; K10-K77 HydrophobicContact CD-CB 4.27Å; K10-K77 HydrophobicContact CG-CB 3.9Å; T74-K77 WeakPolarHBondContact O-CA 3.41Å; T74-K77 PolarHBondContact O-N 3.46Å; T74-K77 PolarHBondContact OG1-N 3.39Å; N75-K77 PolarHBondContact O-N 3.34Å; K77-K79 WeakPolarHBondContact O-CE 3.42Å
78V97.9Very high95.4Very high13 Ų1331.4 Ų31.48%0.07917%0.172CC..  trans-76.7133.9167.3-179.40000108V7 I8 V73 T74 S76 F80 F107V7-V78 HydrophobicContact CG1-CG1 3.63Å; I8-V78 VanDerWaalsContact O-CG1 3.3Å; I8-V78 WeakPolarHBondContact O-CG1 3.43Å; V73-V78 WeakPolarHBondContact CA-O 3.37Å; T74-V78 HydrophobicContact CG2-CB 4.15Å; T74-V78 PolarHBondContact N-O 2.95Å; T74-V78 WeakPolarHBondContact OG1-CB 3.25Å; T74-V78 PolarHBondContact OG1-N 2.89Å; T74-V78 PolarHBondContact OG1-O 3.45Å; S76-V78 PolarHBondContact O-N 3.45Å; V78-F80 HydrophobicContact CB-CE1 4.48Å; V78-F80 HydrophobicContact CG1-CD1 4.12Å; V78-F80 HydrophobicContact CG1-CE1 3.6Å; V78-F107 HydrophobicContact CB-CZ 4.37Å; V78-F107 HydrophobicContact CG1-CE1 4.37Å; V78-F107 HydrophobicContact CG1-CE2 4.22Å; V78-F107 HydrophobicContact CG1-CZ 3.91Å; V78-F107 HydrophobicContact CG2-CE1 4.28Å; V78-F107 HydrophobicContact CG2-CZ 3.95Å
79K98.4Very high94.6Very high17 Ų1734.7 Ų34.77%0.07420%0.197CC..EExtended strand (participates in β ladder)trans-102.6129.7-179.1-5391.3179.2-1800109.7I8 A9 K10 N12 L36 V39 Y72 V73 K77I8-K79 HydrophobicContact CB-CB 4.27Å; I8-K79 HydrophobicContact CG2-CD 4.49Å; I8-K79 PolarHBondContact N-O 2.86Å; I8-K79 PolarHBondContact O-N 3.12Å; A9-K79 PolarHBondContact O-NZ 3.36Å; K10-K79 PolarHBondContact O-NZ 3.32Å; N12-K79 PolarHBondContact OD1-NZ 2.99Å; L36-K79 HydrophobicContact CD2-CB 4.32Å; L36-K79 HydrophobicContact CD2-CD 4.35Å; L36-K79 HydrophobicContact CD2-CG 4.32Å; V39-K79 HydrophobicContact CG1-CG 3.91Å; Y72-K79 CarbonylContact O-C 3.58Å; Y72-K79 WeakPolarHBondContact O-CA 3.46Å; V73-K79 HydrophobicContact CG2-CB 4.5Å; V73-K79 HydrophobicContact CG2-CG 4.07Å; K77-K79 WeakPolarHBondContact O-CE 3.42Å
80F98.7Very high93.8Very high0 Ų038.5 Ų38.50%022%0.224CC..EExtended strand (participates in β ladder)trans-106.1135.7168.1-51.9-28.9000109.1A6 V7 Y72 T74 V78 F100 L103 H104 F107A6-F80 WeakPolarHBondContact O-CA 3.44Å; V7-F80 HydrophobicContact CB-CD1 4.17Å; V7-F80 HydrophobicContact CB-CE1 4.37Å; V7-F80 HydrophobicContact CG1-CD1 3.82Å; V7-F80 HydrophobicContact CG1-CE1 3.64Å; V7-F80 HydrophobicContact CG2-CD1 3.81Å; V7-F80 HydrophobicContact CG2-CE1 4.02Å; Y72-F80 AromaticContact CD1-CD2 3.46Å; Y72-F80 HydrophobicContact CD1-CD2 3.46Å; Y72-F80 VanDerWaalsContact CD1-CD2 3.46Å; Y72-F80 AromaticContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CE2 3.93Å; Y72-F80 HydrophobicContact CD1-CG 4.26Å; Y72-F80 AromaticContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CD2 3.98Å; Y72-F80 AromaticContact CE1-CE2 3.98Å; Y72-F80 HydrophobicContact CE1-CE2 3.98Å; Y72-F80 HydrophobicContact CG-CD2 4.21Å; Y72-F80 PolarHBondContact N-O 3.12Å; Y72-F80 PolarHBondContact O-N 3.3Å; T74-F80 HydrophobicContact CG2-CE1 4.3Å; T74-F80 HydrophobicContact CG2-CE2 3.88Å; T74-F80 HydrophobicContact CG2-CZ 3.66Å; V78-F80 HydrophobicContact CB-CE1 4.48Å; V78-F80 HydrophobicContact CG1-CD1 4.12Å; V78-F80 HydrophobicContact CG1-CE1 3.6Å; F80-F100 HydrophobicContact CB-CD1 3.87Å; F80-F100 HydrophobicContact CB-CE1 3.7Å; F80-F100 HydrophobicContact CD2-CD1 4.33Å; F80-L103 HydrophobicContact CB-CD2 3.84Å; F80-L103 HydrophobicContact CD1-CD2 4.43Å; F80-L103 HydrophobicContact CD2-CD2 4.11Å; F80-L103 HydrophobicContact CD2-CG 4.35Å; F80-L103 HydrophobicContact CG-CD2 3.89Å; F80-L103 HydrophobicContact CG-CG 4.46Å; F80-H104 HydrophobicContact CE2-CB 3.74Å; F80-H104 AromaticContact CE2-CG 3.94Å; F80-F107 HydrophobicContact CE1-CB 4.42Å; F80-F107 HydrophobicContact CE1-CD1 4.28Å; F80-F107 HydrophobicContact CE1-CD2 4.26Å; F80-F107 HydrophobicContact CE1-CG 4.06Å; F80-F107 HydrophobicContact CZ-CB 3.96Å; F80-F107 AromaticContact CZ-CD1 3.87Å; F80-F107 HydrophobicContact CZ-CD1 3.87Å; F80-F107 AromaticContact CZ-CG 3.86Å; F80-F107 HydrophobicContact CZ-CG 3.86Å
81V98.6Very high93.1Very high1 Ų138.8 Ų38.81%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-124.8128.8177.3-178.20000108.6I5 A6 V32 V69 Y70 V83I5-V81 WeakPolarHBondContact CA-O 3.22Å; A6-V81 HydrophobicContact CB-CB 4.37Å; A6-V81 PolarHBondContact N-O 3.5Å; A6-V81 PolarHBondContact O-N 2.91Å; V32-V81 HydrophobicContact CG1-CB 4.33Å; V32-V81 HydrophobicContact CG1-CG2 4.23Å; V32-V81 HydrophobicContact CG2-CB 4.35Å; V32-V81 HydrophobicContact CG2-CG1 4.08Å; V69-V81 HydrophobicContact CG1-CG1 3.65Å; Y70-V81 WeakPolarHBondContact O-CA 3.35Å; V81-V83 HydrophobicContact CG1-CG2 4.28Å
82I98.3Very high92.7Very high0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-120.4121.8174.3-64.4178.6000107.8A2 I5 Y70 V84 M99 F100A2-I82 HydrophobicContact CB-CG2 3.91Å; I5-I82 HydrophobicContact CG1-CG1 4.25Å; I5-I82 HydrophobicContact CG1-CG2 4.5Å; I5-I82 HydrophobicContact CG2-CG1 4.47Å; Y70-I82 PolarHBondContact N-O 3.21Å; Y70-I82 PolarHBondContact O-N 2.85Å; I82-V84 HydrophobicContact CG2-CG1 3.95Å; I82-M99 HydrophobicContact CD1-CB 3.81Å; I82-M99 HydrophobicContact CD1-CE 4.34Å; I82-M99 HydrophobicContact CG2-CE 3.89Å; I82-F100 HydrophobicContact CB-CE1 4.25Å; I82-F100 HydrophobicContact CB-CE2 4.45Å; I82-F100 HydrophobicContact CB-CZ 3.87Å; I82-F100 HydrophobicContact CD1-CD1 3.7Å; I82-F100 HydrophobicContact CD1-CD2 4.15Å; I82-F100 HydrophobicContact CD1-CE1 3.6Å; I82-F100 HydrophobicContact CD1-CE2 4.04Å; I82-F100 HydrophobicContact CD1-CG 3.98Å; I82-F100 HydrophobicContact CD1-CZ 3.78Å; I82-F100 HydrophobicContact CG1-CD1 4.16Å; I82-F100 HydrophobicContact CG1-CE1 3.56Å; I82-F100 HydrophobicContact CG1-CE2 4.38Å; I82-F100 HydrophobicContact CG1-CZ 3.7Å
83V97.2Very high92.3Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-105.3130.3175.4-169.60000108.3A2 V3 C4 F28 T31 Y67 K68 V69 V81A2-V83 WeakPolarHBondContact CA-O 3.48Å; V3-V83 HydrophobicContact CG2-CB 4.09Å; V3-V83 HydrophobicContact CG2-CG1 3.84Å; V3-V83 WeakPolarHBondContact CG2-O 3.35Å; V3-V83 PolarHBondContact N-O 3.29Å; C4-V83 HydrophobicContact CB-CB 3.93Å; C4-V83 HydrophobicContact CB-CG2 3.99Å; C4-V83 PolarHBondContact N-O 2.57Å; C4-V83 PolarHBondContact O-N 2.77Å; F28-V83 HydrophobicContact CD1-CG1 4.33Å; F28-V83 HydrophobicContact CE1-CG1 4.06Å; T31-V83 HydrophobicContact CG2-CG2 4.32Å; Y67-V83 HydrophobicContact CD1-CG1 4.18Å; Y67-V83 HydrophobicContact CG-CG1 3.89Å; K68-V83 WeakPolarHBondContact O-CA 3.4Å; V69-V83 HydrophobicContact CG1-CG2 4.46Å; V69-V83 HydrophobicContact CG2-CG1 4.44Å; V69-V83 HydrophobicContact CG2-CG2 4.49Å; V81-V83 HydrophobicContact CG1-CG2 4.28Å
84V95.9Very high92.1Very high1 Ų155 Ų551%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-126.7154177.7-52.20000109.6Y67 K68 Y70 I82 L91 I96Y67-V84 CarbonylContact C-O 3.5Å; Y67-V84 VanDerWaalsContact CA-O 3.27Å; Y67-V84 WeakPolarHBondContact CA-O 3.31Å; K68-V84 HydrophobicContact CB-CG2 3.81Å; K68-V84 PolarHBondContact N-O 3.44Å; K68-V84 PolarHBondContact O-N 3.2Å; Y70-V84 HydrophobicContact CD2-CG2 4.27Å; Y70-V84 HydrophobicContact CE2-CG2 3.68Å; I82-V84 HydrophobicContact CG2-CG1 3.95Å; V84-L91 HydrophobicContact CB-CD1 3.9Å; V84-L91 HydrophobicContact CG1-CD1 3.71Å; V84-L91 HydrophobicContact CG2-CD1 4.37Å; V84-I96 HydrophobicContact CG1-CD1 4.05Å
85D93.4Very high92Very high58 Ų5858.9 Ų58.931%0.3132%0.318SS..EExtended strand (participates in β ladder)trans-64.8132.5174-165-61.2000111V3 S87 N88V3-D85 HydrophobicContact CG1-CB 4.41Å; D85-S87 PolarHBondContact O-N 2.97Å; D85-S87 WeakPolarHBondContact OD1-CB 3.49Å; D85-S87 PolarHBondContact OD1-N 2.82Å; D85-S87 PolarHBondContact OD1-OG 3.41Å; D85-N88 HydrophobicContact CB-CB 4.44Å; D85-N88 VanDerWaalsContact O-CB 3.31Å; D85-N88 WeakPolarHBondContact O-CB 3.44Å; D85-N88 PolarHBondContact O-N 2.74Å
86S90.8Very high92.2Very high29 Ų2952.6 Ų52.620%0.20329%0.285CS..THydrogen-bonded Turntrans-61.8-31.2179.7-83.30000112.7D66 Y67 K68 N88D66-S86 WeakPolarHBondContact O-CB 3.35Å; D66-S86 PolarHBondContact O-N 2.8Å; Y67-S86 WeakPolarHBondContact CA-OG 3.45Å; Y67-S86 PolarHBondContact N-OG 2.93Å; Y67-S86 VanDerWaalsContact N-OG 3.11Å; Y67-S86 PolarHBondContact O-OG 3.06Å; K68-S86 PolarHBondContact NZ-O 2.98Å; S86-N88 PolarHBondContact O-N 3.08Å
87S88.4Confident92.3Very high92 Ų9253.6 Ų53.664%0.64328%0.279SS*.THydrogen-bonded Turntrans-70.3-16.8176.472.50000113D85 T89D85-S87 PolarHBondContact O-N 2.97Å; D85-S87 WeakPolarHBondContact OD1-CB 3.49Å; D85-S87 PolarHBondContact OD1-N 2.82Å; D85-S87 PolarHBondContact OD1-OG 3.41Å; S87-T89 VanDerWaalsContact C-N 3.34Å; S87-T89 PolarHBondContact O-N 3.04Å
88N83.6Confident92.4Very high38 Ų3850.6 Ų50.620%0.20327%0.271CS..  trans-75.985.5176.8-164.1-36.6000110.9M1 D85 S86 S90 L91M1-N88 PolarHBondContact N-ND2 3.47Å; D85-N88 HydrophobicContact CB-CB 4.44Å; D85-N88 VanDerWaalsContact O-CB 3.31Å; D85-N88 WeakPolarHBondContact O-CB 3.44Å; D85-N88 PolarHBondContact O-N 2.74Å; S86-N88 PolarHBondContact O-N 3.08Å; N88-S90 VanDerWaalsContact C-N 3.29Å; N88-S90 PolarHBondContact OD1-N 2.86Å; N88-S90 PolarHBondContact OD1-OG 2.64Å; N88-L91 PolarHBondContact OD1-N 3.08Å
89T80.6Confident92.3Very high126 Ų12650.8 Ų50.877%0.77327%0.271SS*.THydrogen-bonded Turntrans-78.2-13.9177.557.70000113.4S87 L91S87-T89 VanDerWaalsContact C-N 3.34Å; S87-T89 PolarHBondContact O-N 3.04Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.31Å
90S80.2Confident92.3Very high80 Ų8050 Ų5056%0.55927%0.268SS*.THydrogen-bonded Turntrans-71.5-26178.866.70000113.4N88 R92 E95N88-S90 VanDerWaalsContact C-N 3.29Å; N88-S90 PolarHBondContact OD1-N 2.86Å; N88-S90 PolarHBondContact OD1-OG 2.64Å; S90-R92 PolarHBondContact O-N 3.48Å; S90-E95 VanDerWaalsContact O-OE2 3.05Å
91L83.7Confident92.3Very high27 Ų2756.4 Ų56.414%0.14129%0.292CS..  trans-76.6104.2179.8-81.3173.1000111.5V84 N88 T89 E95 I96 M99V84-L91 HydrophobicContact CB-CD1 3.9Å; V84-L91 HydrophobicContact CG1-CD1 3.71Å; V84-L91 HydrophobicContact CG2-CD1 4.37Å; N88-L91 PolarHBondContact OD1-N 3.08Å; T89-L91 VanDerWaalsContact C-N 3.31Å; T89-L91 PolarHBondContact O-N 3.31Å; L91-E95 VanDerWaalsContact CA-OE2 3.24Å; L91-E95 WeakPolarHBondContact CA-OE2 3.31Å; L91-E95 HydrophobicContact CD2-CB 4.14Å; L91-I96 HydrophobicContact CB-CD1 4.35Å; L91-I96 HydrophobicContact CD1-CD1 4.22Å; L91-I96 HydrophobicContact CD2-CD1 4.25Å; L91-M99 HydrophobicContact CD2-SD 4.35Å
92R88.8Confident92.3Very high185 Ų18562 Ų6270%0.69832%0.316SS*.  trans-87.4159.2173.1-60.1-176.4179.1-173.70.5111S90 N94 E95 I96S90-R92 PolarHBondContact O-N 3.48Å; R92-N94 PolarHBondContact O-N 3.43Å; R92-N94 VanDerWaalsContact O-N 3.15Å; R92-E95 PolarHBondContact N-OE2 3.31Å; R92-E95 WeakPolarHBondContact O-CB 3.4Å; R92-E95 PolarHBondContact O-N 3.22Å; R92-I96 PolarHBondContact O-N 3.11Å
93D90.1Very high92.3Very high69 Ų6962 Ų6237%0.36932%0.316SS..Hα-helixtrans-53-39.8-179.8-166.774.6000113.1Y57 E95 I96 R97Y57-D93 VanDerWaalsContact CE1-OD1 3.3Å; Y57-D93 WeakPolarHBondContact CE1-OD1 3.45Å; Y57-D93 WeakPolarHBondContact CE1-OD2 3.46Å; Y57-D93 PolarHBondContact OH-OD1 2.78Å; D93-E95 VanDerWaalsContact C-N 3.29Å; D93-E95 PolarHBondContact O-N 3.43Å; D93-I96 PolarHBondContact O-N 3.41Å; D93-R97 WeakPolarHBondContact O-CG 3.41Å; D93-R97 PolarHBondContact O-N 3.08Å; D93-R97 WeakPolarHBondContact OD2-CD 3.36Å; D93-R97 IonicContact OD2-CZ 3.54Å; D93-R97 IonicContact OD2-NE 3.45Å; D93-R97 PolarHBondContact OD2-NE 3.37Å; D93-R97 IonicContact OD2-NH2 2.84Å
94N92.4Very high92.3Very high120 Ų12063.5 Ų63.564%0.64232%0.323SS*.Hα-helixtrans-61.9-33.3177.8-75-22.4000113.7R92 S98R92-N94 PolarHBondContact O-N 3.43Å; R92-N94 VanDerWaalsContact O-N 3.15Å; N94-S98 WeakPolarHBondContact O-CB 3.44Å; N94-S98 PolarHBondContact O-N 3.26Å
95E94.3Very high92.5Very high84 Ų8468.4 Ų68.439%0.39335%0.349SS..Hα-helixtrans-74.8-39.9177.6-68.4143.1-17200110.4S90 L91 R92 D93 S98 M99S90-E95 VanDerWaalsContact O-OE2 3.05Å; L91-E95 VanDerWaalsContact CA-OE2 3.24Å; L91-E95 WeakPolarHBondContact CA-OE2 3.31Å; L91-E95 HydrophobicContact CD2-CB 4.14Å; R92-E95 PolarHBondContact N-OE2 3.31Å; R92-E95 WeakPolarHBondContact O-CB 3.4Å; R92-E95 PolarHBondContact O-N 3.22Å; D93-E95 VanDerWaalsContact C-N 3.29Å; D93-E95 PolarHBondContact O-N 3.43Å; E95-S98 CarbonylContact O-C 3.52Å; E95-S98 WeakPolarHBondContact O-CA 3.37Å; E95-S98 VanDerWaalsContact O-CB 3.29Å; E95-S98 WeakPolarHBondContact O-CB 3.41Å; E95-S98 PolarHBondContact O-N 3.44Å; E95-S98 VanDerWaalsContact O-N 3.12Å; E95-M99 WeakPolarHBondContact O-CG 3.47Å; E95-M99 PolarHBondContact O-N 3.02Å
96I96Very high92.7Very high0 Ų066.1 Ų66.10%034%0.338CS..Hα-helixtrans-61.3-46.7172.7-57.8-58.5000110.9Y57 Y70 V84 L91 R92 D93 S98 M99 F100Y57-I96 HydrophobicContact CE2-CG2 3.96Å; Y70-I96 HydrophobicContact CD1-CG2 3.87Å; Y70-I96 HydrophobicContact CD2-CD1 4.47Å; Y70-I96 HydrophobicContact CD2-CG2 4.33Å; Y70-I96 HydrophobicContact CE1-CG1 4.4Å; Y70-I96 HydrophobicContact CE1-CG2 4.45Å; Y70-I96 HydrophobicContact CE2-CD1 4.38Å; Y70-I96 HydrophobicContact CE2-CG1 4.38Å; Y70-I96 HydrophobicContact CG-CG2 3.8Å; V84-I96 HydrophobicContact CG1-CD1 4.05Å; L91-I96 HydrophobicContact CB-CD1 4.35Å; L91-I96 HydrophobicContact CD1-CD1 4.22Å; L91-I96 HydrophobicContact CD2-CD1 4.25Å; R92-I96 PolarHBondContact O-N 3.11Å; D93-I96 PolarHBondContact O-N 3.41Å; I96-S98 PolarHBondContact O-N 2.97Å; I96-M99 HydrophobicContact CD1-SD 4.1Å; I96-M99 WeakPolarHBondContact O-CB 3.3Å; I96-M99 PolarHBondContact O-N 2.84Å; I96-M99 VanDerWaalsContact O-N 3.12Å; I96-F100 HydrophobicContact CG2-CD2 3.82Å; I96-F100 HydrophobicContact CG2-CE2 3.56Å; I96-F100 WeakPolarHBondContact O-CD2 3.49Å; I96-F100 PolarHBondContact O-N 3.13Å
97R96Very high93.1Very high84 Ų8465.2 Ų65.232%0.31733%0.33SS..Hα-helixtrans-55.5-41.3172.3-72.6176.8179.4-119.1-13.2111.3E55 Y57 D93 F100 R101E55-R97 IonicContact OE1-CZ 3.93Å; E55-R97 IonicContact OE1-NH1 3.82Å; E55-R97 PolarHBondContact OE1-NH1 3Å; E55-R97 IonicContact OE1-NH2 3.67Å; E55-R97 PolarHBondContact OE1-NH2 3.22Å; Y57-R97 HydrophobicContact CD1-CG 3.67Å; Y57-R97 HydrophobicContact CE1-CG 3.65Å; Y57-R97 HydrophobicContact CG-CG 4.09Å; D93-R97 WeakPolarHBondContact O-CG 3.41Å; D93-R97 PolarHBondContact O-N 3.08Å; D93-R97 WeakPolarHBondContact OD2-CD 3.36Å; D93-R97 IonicContact OD2-CZ 3.54Å; D93-R97 IonicContact OD2-NE 3.45Å; D93-R97 PolarHBondContact OD2-NE 3.37Å; D93-R97 IonicContact OD2-NH2 2.84Å; R97-F100 PolarHBondContact O-N 3.19Å; R97-R101 WeakPolarHBondContact O-CG 3.27Å; R97-R101 PolarHBondContact O-N 2.95Å
98S96.4Very high93.5Very high39 Ų3963.4 Ų63.427%0.27332%0.316SS..Hα-helixtrans-65.4-41.2176.9-163.70000112.6N94 E95 I96 R101 K102N94-S98 WeakPolarHBondContact O-CB 3.44Å; N94-S98 PolarHBondContact O-N 3.26Å; E95-S98 CarbonylContact O-C 3.52Å; E95-S98 WeakPolarHBondContact O-CA 3.37Å; E95-S98 VanDerWaalsContact O-CB 3.29Å; E95-S98 WeakPolarHBondContact O-CB 3.41Å; E95-S98 PolarHBondContact O-N 3.44Å; E95-S98 VanDerWaalsContact O-N 3.12Å; I96-S98 PolarHBondContact O-N 2.97Å; S98-R101 PolarHBondContact O-N 3.43Å; S98-K102 WeakPolarHBondContact O-CG 3.49Å; S98-K102 PolarHBondContact O-N 3.4Å
99M97.7Very high94.2Very high17 Ų1767 Ų678%0.08434%0.335CS..Hα-helixtrans-61.8-45.2174.7-69.4166.969.200111.3A2 I82 L91 E95 I96 R101 K102 L103 M134A2-M99 HydrophobicContact CB-CE 3.73Å; I82-M99 HydrophobicContact CD1-CB 3.81Å; I82-M99 HydrophobicContact CD1-CE 4.34Å; I82-M99 HydrophobicContact CG2-CE 3.89Å; L91-M99 HydrophobicContact CD2-SD 4.35Å; E95-M99 WeakPolarHBondContact O-CG 3.47Å; E95-M99 PolarHBondContact O-N 3.02Å; I96-M99 HydrophobicContact CD1-SD 4.1Å; I96-M99 WeakPolarHBondContact O-CB 3.3Å; I96-M99 PolarHBondContact O-N 2.84Å; I96-M99 VanDerWaalsContact O-N 3.12Å; M99-R101 PolarHBondContact O-N 3.45Å; M99-K102 PolarHBondContact O-N 3.33Å; M99-L103 WeakPolarHBondContact O-CB 3.42Å; M99-L103 PolarHBondContact O-N 3.16Å; M99-M134 HydrophobicContact CB-SD 3.75Å; M99-M134 HydrophobicContact CE-CB 4.04Å; M99-M134 HydrophobicContact CG-CG 4.39Å; M99-M134 HydrophobicContact CG-SD 3.95Å
100F98.3Very high95Very high1 Ų161.5 Ų61.50%0.00430%0.301CS..Hα-helixtrans-61.7-41175.1-79.6-61.1000112.9Y57 Y72 F80 I82 I96 R97 L103 H104Y57-F100 AromaticContact CD2-CD2 3.71Å; Y57-F100 HydrophobicContact CD2-CD2 3.71Å; Y57-F100 AromaticContact CD2-CE2 3.9Å; Y57-F100 HydrophobicContact CD2-CE2 3.9Å; Y57-F100 AromaticContact CE2-CD2 3.75Å; Y57-F100 HydrophobicContact CE2-CD2 3.75Å; Y57-F100 AromaticContact CE2-CE2 3.65Å; Y57-F100 HydrophobicContact CE2-CE2 3.65Å; Y72-F100 VanDerWaalsContact CB-CE1 3.42Å; Y72-F100 HydrophobicContact CD2-CB 3.69Å; Y72-F100 HydrophobicContact CD2-CD1 4.24Å; Y72-F100 HydrophobicContact CD2-CD2 4.47Å; Y72-F100 AromaticContact CD2-CG 3.9Å; Y72-F100 HydrophobicContact CD2-CG 3.9Å; Y72-F100 HydrophobicContact CE2-CB 4.19Å; Y72-F100 HydrophobicContact CG-CB 4.12Å; Y72-F100 AromaticContact CG-CD1 3.85Å; Y72-F100 HydrophobicContact CG-CD1 3.85Å; Y72-F100 HydrophobicContact CG-CE1 4.45Å; Y72-F100 AromaticContact CG-CG 4Å; Y72-F100 HydrophobicContact CG-CG 4Å; F80-F100 HydrophobicContact CB-CD1 3.87Å; F80-F100 HydrophobicContact CB-CE1 3.7Å; F80-F100 HydrophobicContact CD2-CD1 4.33Å; I82-F100 HydrophobicContact CB-CE1 4.25Å; I82-F100 HydrophobicContact CB-CE2 4.45Å; I82-F100 HydrophobicContact CB-CZ 3.87Å; I82-F100 HydrophobicContact CD1-CD1 3.7Å; I82-F100 HydrophobicContact CD1-CD2 4.15Å; I82-F100 HydrophobicContact CD1-CE1 3.6Å; I82-F100 HydrophobicContact CD1-CE2 4.04Å; I82-F100 HydrophobicContact CD1-CG 3.98Å; I82-F100 HydrophobicContact CD1-CZ 3.78Å; I82-F100 HydrophobicContact CG1-CD1 4.16Å; I82-F100 HydrophobicContact CG1-CE1 3.56Å; I82-F100 HydrophobicContact CG1-CE2 4.38Å; I82-F100 HydrophobicContact CG1-CZ 3.7Å; I96-F100 HydrophobicContact CG2-CD2 3.82Å; I96-F100 HydrophobicContact CG2-CE2 3.56Å; I96-F100 WeakPolarHBondContact O-CD2 3.49Å; I96-F100 PolarHBondContact O-N 3.13Å; R97-F100 PolarHBondContact O-N 3.19Å; F100-L103 PolarHBondContact O-N 2.83Å; F100-H104 WeakPolarHBondContact O-CB 3.35Å; F100-H104 PolarHBondContact O-N 2.83Å
101R97.6Very high95.8Very high134 Ų13460.7 Ų60.751%0.50629%0.289SS..Hα-helixtrans-61.3-44.3174.6-73.2-171.5-58.3-1061.1112.1R97 S98 M99 H104 N105R97-R101 WeakPolarHBondContact O-CG 3.27Å; R97-R101 PolarHBondContact O-N 2.95Å; S98-R101 PolarHBondContact O-N 3.43Å; M99-R101 PolarHBondContact O-N 3.45Å; R101-H104 PolarHBondContact O-N 3.06Å; R101-N105 VanDerWaalsContact O-CG 3.24Å; R101-N105 PolarHBondContact O-N 2.9Å; R101-N105 PolarHBondContact O-OD1 2.85Å
102K98.2Very high96.4Very high118 Ų11864.1 Ų64.151%0.51331%0.314SS..Hα-helixtrans-61.5-44.4176.1-73.1177.2-180-178.20111.7S98 M99 S106 M134S98-K102 WeakPolarHBondContact O-CG 3.49Å; S98-K102 PolarHBondContact O-N 3.4Å; M99-K102 PolarHBondContact O-N 3.33Å; K102-S106 WeakPolarHBondContact O-CB 3.22Å; K102-S106 PolarHBondContact O-N 2.82Å; K102-S106 VanDerWaalsContact O-N 3.08Å; K102-M134 HydrophobicContact CB-SD 4.1Å; K102-M134 HydrophobicContact CD-SD 4.44Å
103L98.6Very high96.7Very high0 Ų058.8 Ų58.80%030%0.299CS..Hα-helixtrans-63.3-44.7177.5-17363.3000111.6I5 V7 F80 M99 F100 S106 F107 F127 V131 M134I5-L103 HydrophobicContact CG2-CD1 4.03Å; I5-L103 HydrophobicContact CG2-CD2 3.68Å; V7-L103 HydrophobicContact CG2-CD1 4.42Å; V7-L103 HydrophobicContact CG2-CD2 4.45Å; F80-L103 HydrophobicContact CB-CD2 3.84Å; F80-L103 HydrophobicContact CD1-CD2 4.43Å; F80-L103 HydrophobicContact CD2-CD2 4.11Å; F80-L103 HydrophobicContact CD2-CG 4.35Å; F80-L103 HydrophobicContact CG-CD2 3.89Å; F80-L103 HydrophobicContact CG-CG 4.46Å; M99-L103 WeakPolarHBondContact O-CB 3.42Å; M99-L103 PolarHBondContact O-N 3.16Å; F100-L103 PolarHBondContact O-N 2.83Å; L103-S106 PolarHBondContact O-N 3.03Å; L103-F107 VanDerWaalsContact O-CB 3.31Å; L103-F107 WeakPolarHBondContact O-CB 3.26Å; L103-F107 PolarHBondContact O-N 3.14Å; L103-F127 HydrophobicContact CD1-CE1 4.43Å; L103-F127 HydrophobicContact CD1-CE2 3.93Å; L103-F127 HydrophobicContact CD1-CZ 3.54Å; L103-V131 HydrophobicContact CD1-CG2 3.98Å; L103-M134 HydrophobicContact CB-CE 4.25Å; L103-M134 HydrophobicContact CD1-CE 4.32Å
104H98.5Very high97.1Very high31 Ų3161.1 Ų61.114%0.14432%0.318CS..Hα-helixtrans-60.7-51.9177.3-164.3155.8000110.9Y72 F80 F100 R101 S106 F107 T108Y72-H104 AromaticContact CE1-ND1 3.44Å; Y72-H104 WeakPolarHBondContact CE1-ND1 3.38Å; Y72-H104 AromaticContact CZ-ND1 3.5Å; Y72-H104 PolarHBondContact OH-ND1 3.41Å; F80-H104 HydrophobicContact CE2-CB 3.74Å; F80-H104 AromaticContact CE2-CG 3.94Å; F100-H104 WeakPolarHBondContact O-CB 3.35Å; F100-H104 PolarHBondContact O-N 2.83Å; R101-H104 PolarHBondContact O-N 3.06Å; H104-S106 VanDerWaalsContact C-N 3.29Å; H104-S106 PolarHBondContact O-N 3.21Å; H104-F107 CarbonylContact O-C 3.6Å; H104-F107 WeakPolarHBondContact O-CA 3.41Å; H104-F107 WeakPolarHBondContact O-CB 3.45Å; H104-F107 PolarHBondContact O-N 2.86Å; H104-T108 PolarHBondContact CD2-OG1 3.1Å; H104-T108 PolarHBondContact O-N 2.6Å; H104-T108 PolarHBondContact O-OG1 2.8Å
105N98.3Very high97.2Very high105 Ų10564 Ų6456%0.56133%0.325SS*.Hα-helixtrans-56.3-46.5179.7-68.7-6.5000111.2R101 F107 T108 D109R101-N105 VanDerWaalsContact O-CG 3.24Å; R101-N105 PolarHBondContact O-N 2.9Å; R101-N105 PolarHBondContact O-OD1 2.85Å; N105-F107 VanDerWaalsContact C-N 3.34Å; N105-F107 PolarHBondContact O-N 2.77Å; N105-T108 WeakPolarHBondContact O-CB 3.35Å; N105-T108 PolarHBondContact O-N 2.84Å; N105-D109 VanDerWaalsContact O-CG 3.31Å; N105-D109 PolarHBondContact O-N 2.88Å
106S98.4Very high97.3Very high10 Ų1061.5 Ų61.57%0.0731%0.313CS..Hα-helixtrans-66.6-34.5178.2-1670000112.9K102 L103 H104 D109 V110 F127K102-S106 WeakPolarHBondContact O-CB 3.22Å; K102-S106 PolarHBondContact O-N 2.82Å; K102-S106 VanDerWaalsContact O-N 3.08Å; L103-S106 PolarHBondContact O-N 3.03Å; H104-S106 VanDerWaalsContact C-N 3.29Å; H104-S106 PolarHBondContact O-N 3.21Å; S106-D109 PolarHBondContact O-N 2.85Å; S106-V110 WeakPolarHBondContact O-CG2 3.44Å; S106-V110 PolarHBondContact O-N 3.37Å; S106-F127 VanDerWaalsContact OG-CD2 3.29Å; S106-F127 WeakPolarHBondContact OG-CD2 3.41Å
107F98.3Very high97.3Very high9 Ų966.3 Ų66.34%0.03934%0.338CS..Hα-helixtrans-64.2-43.7172.5174.2-97.6000111.2V7 L15 V78 F80 L103 H104 N105 D109 V110 M111 I122 F127V7-F107 HydrophobicContact CG1-CD2 3.89Å; V7-F107 HydrophobicContact CG1-CE2 3.76Å; L15-F107 HydrophobicContact CD1-CE2 4.14Å; V78-F107 HydrophobicContact CB-CZ 4.37Å; V78-F107 HydrophobicContact CG1-CE1 4.37Å; V78-F107 HydrophobicContact CG1-CE2 4.22Å; V78-F107 HydrophobicContact CG1-CZ 3.91Å; V78-F107 HydrophobicContact CG2-CE1 4.28Å; V78-F107 HydrophobicContact CG2-CZ 3.95Å; F80-F107 HydrophobicContact CE1-CB 4.42Å; F80-F107 HydrophobicContact CE1-CD1 4.28Å; F80-F107 HydrophobicContact CE1-CD2 4.26Å; F80-F107 HydrophobicContact CE1-CG 4.06Å; F80-F107 HydrophobicContact CZ-CB 3.96Å; F80-F107 AromaticContact CZ-CD1 3.87Å; F80-F107 HydrophobicContact CZ-CD1 3.87Å; F80-F107 AromaticContact CZ-CG 3.86Å; F80-F107 HydrophobicContact CZ-CG 3.86Å; L103-F107 VanDerWaalsContact O-CB 3.31Å; L103-F107 WeakPolarHBondContact O-CB 3.26Å; L103-F107 PolarHBondContact O-N 3.14Å; H104-F107 CarbonylContact O-C 3.6Å; H104-F107 WeakPolarHBondContact O-CA 3.41Å; H104-F107 WeakPolarHBondContact O-CB 3.45Å; H104-F107 PolarHBondContact O-N 2.86Å; N105-F107 VanDerWaalsContact C-N 3.34Å; N105-F107 PolarHBondContact O-N 2.77Å; F107-D109 VanDerWaalsContact C-N 3.32Å; F107-D109 PolarHBondContact O-N 2.94Å; F107-V110 WeakPolarHBondContact O-CB 3.47Å; F107-V110 PolarHBondContact O-N 3.47Å; F107-V110 VanDerWaalsContact O-N 3.13Å; F107-M111 HydrophobicContact CD1-CG 4.01Å; F107-M111 HydrophobicContact CD2-CE 3.9Å; F107-M111 HydrophobicContact CE1-CE 4.41Å; F107-M111 HydrophobicContact CE1-CG 3.55Å; F107-M111 HydrophobicContact CE1-SD 4.16Å; F107-M111 HydrophobicContact CE2-CE 3.31Å; F107-M111 HydrophobicContact CE2-CG 4.17Å; F107-M111 HydrophobicContact CE2-SD 4Å; F107-M111 HydrophobicContact CG-CG 4.48Å; F107-M111 HydrophobicContact CZ-CE 3.6Å; F107-M111 HydrophobicContact CZ-CG 3.63Å; F107-M111 HydrophobicContact CZ-SD 3.6Å; F107-M111 VanDerWaalsContact CZ-SD 3.6Å; F107-M111 WeakPolarHBondContact O-CG 3.4Å; F107-M111 PolarHBondContact O-N 3.28Å; F107-I122 HydrophobicContact CD2-CD1 3.78Å; F107-I122 HydrophobicContact CE2-CD1 4.01Å; F107-F127 HydrophobicContact CB-CE2 4.11Å
108T97.9Very high97.1Very high55 Ų5567.8 Ų67.834%0.33736%0.359SS..Hα-helixtrans-59-43.1174.8-59.30000111.2H104 N105 V110 M111 C112H104-T108 PolarHBondContact CD2-OG1 3.1Å; H104-T108 PolarHBondContact O-N 2.6Å; H104-T108 PolarHBondContact O-OG1 2.8Å; N105-T108 WeakPolarHBondContact O-CB 3.35Å; N105-T108 PolarHBondContact O-N 2.84Å; T108-V110 VanDerWaalsContact C-N 3.27Å; T108-V110 PolarHBondContact O-N 3.18Å; T108-M111 PolarHBondContact O-N 3.05Å; T108-M111 VanDerWaalsContact O-N 3.14Å; T108-C112 WeakPolarHBondContact O-CB 3.47Å; T108-C112 PolarHBondContact O-N 3.18Å; T108-C112 PolarHBondContact O-SG 3.34Å
109D97.9Very high96.9Very high114 Ų11467 Ų6761%0.6136%0.357SS*.Hα-helixtrans-59.4-38.1175.9-62.8-28.3000112.2N105 S106 F107 N113N105-D109 VanDerWaalsContact O-CG 3.31Å; N105-D109 PolarHBondContact O-N 2.88Å; S106-D109 PolarHBondContact O-N 2.85Å; F107-D109 VanDerWaalsContact C-N 3.32Å; F107-D109 PolarHBondContact O-N 2.94Å; D109-N113 PolarHBondContact O-N 2.78Å
110V97.8Very high96.8Very high9 Ų970 Ų706%0.05537%0.373CS..Hα-helixtrans-66.5-46.6174.1176.90000110.9S106 F107 T108 C112 N113 Y116 I122 F127S106-V110 WeakPolarHBondContact O-CG2 3.44Å; S106-V110 PolarHBondContact O-N 3.37Å; F107-V110 WeakPolarHBondContact O-CB 3.47Å; F107-V110 PolarHBondContact O-N 3.47Å; F107-V110 VanDerWaalsContact O-N 3.13Å; T108-V110 VanDerWaalsContact C-N 3.27Å; T108-V110 PolarHBondContact O-N 3.18Å; V110-C112 VanDerWaalsContact C-N 3.26Å; V110-C112 PolarHBondContact O-N 2.72Å; V110-N113 VanDerWaalsContact O-CB 3.3Å; V110-N113 WeakPolarHBondContact O-CB 3.47Å; V110-N113 PolarHBondContact O-N 3.34Å; V110-N113 VanDerWaalsContact O-N 3.15Å; V110-Y116 HydrophobicContact CG1-CD1 4.07Å; V110-Y116 HydrophobicContact CG1-CD2 3.88Å; V110-Y116 HydrophobicContact CG1-CE1 4.23Å; V110-Y116 HydrophobicContact CG1-CE2 4.06Å; V110-Y116 HydrophobicContact CG1-CG 3.88Å; V110-I122 HydrophobicContact CG1-CG1 4.36Å; V110-I122 HydrophobicContact CG1-CG2 4.14Å; V110-I122 HydrophobicContact CG2-CG2 4.11Å; V110-F127 HydrophobicContact CG2-CB 3.95Å; V110-F127 HydrophobicContact CG2-CD2 3.94Å; V110-F127 HydrophobicContact CG2-CG 4.2Å
111M96.1Very high96.8Very high64 Ų6473.7 Ų73.732%0.31540%0.397SS..Hα-helixtrans-66.3-28179.7-62.5-60.4114.300112.9F107 T108 N113 Y116 I122F107-M111 HydrophobicContact CD1-CG 4.01Å; F107-M111 HydrophobicContact CD2-CE 3.9Å; F107-M111 HydrophobicContact CE1-CE 4.41Å; F107-M111 HydrophobicContact CE1-CG 3.55Å; F107-M111 HydrophobicContact CE1-SD 4.16Å; F107-M111 HydrophobicContact CE2-CE 3.31Å; F107-M111 HydrophobicContact CE2-CG 4.17Å; F107-M111 HydrophobicContact CE2-SD 4Å; F107-M111 HydrophobicContact CG-CG 4.48Å; F107-M111 HydrophobicContact CZ-CE 3.6Å; F107-M111 HydrophobicContact CZ-CG 3.63Å; F107-M111 HydrophobicContact CZ-SD 3.6Å; F107-M111 VanDerWaalsContact CZ-SD 3.6Å; F107-M111 WeakPolarHBondContact O-CG 3.4Å; F107-M111 PolarHBondContact O-N 3.28Å; T108-M111 PolarHBondContact O-N 3.05Å; T108-M111 VanDerWaalsContact O-N 3.14Å; M111-N113 VanDerWaalsContact C-N 3.29Å; M111-Y116 HydrophobicContact CE-CD1 3.93Å; M111-Y116 HydrophobicContact CE-CE1 3.13Å; M111-Y116 HydrophobicContact SD-CD1 4.3Å; M111-Y116 HydrophobicContact SD-CE1 3.69Å; M111-I122 HydrophobicContact CE-CD1 4.48Å
112C95.9Very high96.8Very high98 Ų9867.7 Ų67.766%0.66238%0.375SS*.THydrogen-bonded Turntrans-82.8-2.8176.6-70.40000113.4T108 V110 P114T108-C112 WeakPolarHBondContact O-CB 3.47Å; T108-C112 PolarHBondContact O-N 3.18Å; T108-C112 PolarHBondContact O-SG 3.34Å; V110-C112 VanDerWaalsContact C-N 3.26Å; V110-C112 PolarHBondContact O-N 2.72Å; C112-P114 WeakPolarHBondContact O-CD 3.3Å
113N96.4Very high96.7Very high74 Ų7469.7 Ų69.740%0.39639%0.387SS..  trans-77.9118.9174.6-177.2-12000110.2D109 V110 M111 F115 Y116D109-N113 PolarHBondContact O-N 2.78Å; V110-N113 VanDerWaalsContact O-CB 3.3Å; V110-N113 WeakPolarHBondContact O-CB 3.47Å; V110-N113 PolarHBondContact O-N 3.34Å; V110-N113 VanDerWaalsContact O-N 3.15Å; M111-N113 VanDerWaalsContact C-N 3.29Å; N113-F115 PolarHBondContact O-N 3.01Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.37Å; N113-F115 PolarHBondContact OD1-N 3.27Å; N113-Y116 PolarHBondContact O-N 3.17Å
114P97.2Very high96.6Very high117 Ų11771.8 Ų71.876%0.7640%0.401SS*.THydrogen-bonded Turntrans-65.2-13.3-178.428-36.5000114.3C112C112-P114 WeakPolarHBondContact O-CD 3.3Å
115F96.1Very high96.5Very high180 Ų18079.4 Ų79.479%0.78943%0.434SS*.THydrogen-bonded Turntrans-97.3-2177.3-58.3-74.9000113.6N113N113-F115 PolarHBondContact O-N 3.01Å; N113-F115 WeakPolarHBondContact OD1-CD2 3.37Å; N113-F115 PolarHBondContact OD1-N 3.27Å
116Y95.9Very high96.5Very high33 Ų3377.9 Ų77.913%0.12944%0.436CS..SBendtrans-90.4125.9174.1175.2-102.5000109.5V110 M111 N113 P118 D120 I122V110-Y116 HydrophobicContact CG1-CD1 4.07Å; V110-Y116 HydrophobicContact CG1-CD2 3.88Å; V110-Y116 HydrophobicContact CG1-CE1 4.23Å; V110-Y116 HydrophobicContact CG1-CE2 4.06Å; V110-Y116 HydrophobicContact CG1-CG 3.88Å; M111-Y116 HydrophobicContact CE-CD1 3.93Å; M111-Y116 HydrophobicContact CE-CE1 3.13Å; M111-Y116 HydrophobicContact SD-CD1 4.3Å; M111-Y116 HydrophobicContact SD-CE1 3.69Å; N113-Y116 PolarHBondContact O-N 3.17Å; Y116-P118 WeakPolarHBondContact O-CD 3.09Å; Y116-D120 HydrophobicContact CE2-CB 4.38Å; Y116-D120 PolarHBondContact OH-O 2.92Å; Y116-I122 HydrophobicContact CE2-CG1 4.5Å
117N94.9Very high96.5Very high100 Ų10077.4 Ų77.454%0.53543%0.433SS..PPolyproline II helixtrans-83.6121173-53.8-53.6000109.2G119 D120N117-G119 PolarHBondContact O-N 3.43Å; N117-D120 HydrophobicContact CB-CB 4.5Å; N117-D120 WeakPolarHBondContact CB-OD2 3.39Å; N117-D120 PolarHBondContact ND2-OD2 2.98Å; N117-D120 PolarHBondContact O-N 3.42Å; N117-D120 VanDerWaalsContact O-N 3.14Å
118P92.2Very high96.4Very high115 Ų11579.4 Ų79.475%0.74744%0.444SS*.THydrogen-bonded Turntrans-57.3125.1175.6-25.135.5000111.5Y116Y116-P118 WeakPolarHBondContact O-CD 3.09Å
119G92.2Very high96.4Very high24 Ų2478.9 Ų78.925%0.24745%0.449CS..THydrogen-bonded Turntrans104.3-17.4-179.700000114.4Y13 N117Y13-G119 WeakPolarHBondContact CE2-O 3.27Å; Y13-G119 VanDerWaalsContact OH-CA 3.22Å; Y13-G119 WeakPolarHBondContact OH-CA 3.5Å; N117-G119 PolarHBondContact O-N 3.43Å
120D96.2Very high96.4Very high79 Ų7977.1 Ų77.142%0.42244%0.439SS..SBendtrans-71.8151.2172.5-75.8-10.9000111.1Y116 N117 I122Y116-D120 HydrophobicContact CE2-CB 4.38Å; Y116-D120 PolarHBondContact OH-O 2.92Å; N117-D120 HydrophobicContact CB-CB 4.5Å; N117-D120 WeakPolarHBondContact CB-OD2 3.39Å; N117-D120 PolarHBondContact ND2-OD2 2.98Å; N117-D120 PolarHBondContact O-N 3.42Å; N117-D120 VanDerWaalsContact O-N 3.14Å; D120-I122 PolarHBondContact O-N 3.04Å
121P97.4Very high96.4Very high78 Ų7876.7 Ų76.751%0.50644%0.436SS..  trans-54.5138.7172.4-25.834.8000112.4L15 Q123L15-P121 CarbonylContact O-C 3.55Å; L15-P121 WeakPolarHBondContact O-CA 3.39Å; P121-Q123 PolarHBondContact O-N 3.15Å
122I97.8Very high96.4Very high8 Ų876 Ų764%0.04144%0.438CS..  trans-73.9111.6179.4-59.4172.4000109.2V7 L15 Y16 F107 V110 M111 Y116 D120 F127V7-I122 HydrophobicContact CG1-CD1 4.43Å; L15-I122 HydrophobicContact CB-CD1 4.23Å; L15-I122 HydrophobicContact CB-CG1 4.28Å; L15-I122 PolarHBondContact O-N 3.06Å; Y16-I122 HydrophobicContact CD2-CB 4.4Å; F107-I122 HydrophobicContact CD2-CD1 3.78Å; F107-I122 HydrophobicContact CE2-CD1 4.01Å; V110-I122 HydrophobicContact CG1-CG1 4.36Å; V110-I122 HydrophobicContact CG1-CG2 4.14Å; V110-I122 HydrophobicContact CG2-CG2 4.11Å; M111-I122 HydrophobicContact CE-CD1 4.48Å; Y116-I122 HydrophobicContact CE2-CG1 4.5Å; D120-I122 PolarHBondContact O-N 3.04Å; I122-F127 HydrophobicContact CD1-CE1 4.47Å; I122-F127 HydrophobicContact CD1-CZ 4.29Å; I122-F127 HydrophobicContact CG2-CB 4.14Å; I122-F127 HydrophobicContact CG2-CD1 3.65Å; I122-F127 HydrophobicContact CG2-CD2 4.42Å; I122-F127 HydrophobicContact CG2-CE1 4.14Å; I122-F127 HydrophobicContact CG2-CG 3.82Å
123Q96Very high96.4Very high161 Ų16174.4 Ų74.475%0.75244%0.438SS*.  trans-109.87.6178.9-62.5-178.4000113.6P121 K125P121-Q123 PolarHBondContact O-N 3.15Å; Q123-K125 PolarHBondContact O-N 3.39Å
124S97.3Very high96.3Very high43 Ų4371.4 Ų71.430%0.30142%0.422SS..  trans-62.5123.4-176.6171.50000112.3A126 F127 N128S124-A126 VanDerWaalsContact C-N 3.29Å; S124-A126 PolarHBondContact O-N 2.84Å; S124-A126 PolarHBondContact OG-N 3.14Å; S124-F127 PolarHBondContact O-N 3.42Å; S124-F127 PolarHBondContact OG-N 2.83Å; S124-N128 VanDerWaalsContact O-CG 3.31Å; S124-N128 PolarHBondContact O-N 3.19Å
125K96.9Very high96.2Very high191 Ų19166.1 Ų66.183%0.8339%0.387SS*.Hα-helixtrans-61.2-37.6175-67.4-176.6-179.6178.80112.3Q123 N128 G129Q123-K125 PolarHBondContact O-N 3.39Å; K125-N128 PolarHBondContact O-N 3.37Å; K125-G129 PolarHBondContact O-N 3.02Å
126A97.5Very high96Very high73 Ų7359.7 Ų59.760%0.60336%0.362SS*.Hα-helixtrans-65.2-45.917800000111S124 N128 G129 I130S124-A126 VanDerWaalsContact C-N 3.29Å; S124-A126 PolarHBondContact O-N 2.84Å; S124-A126 PolarHBondContact OG-N 3.14Å; A126-N128 VanDerWaalsContact C-N 3.34Å; A126-N128 PolarHBondContact O-N 3.31Å; A126-G129 PolarHBondContact O-N 3.29Å; A126-G129 VanDerWaalsContact O-N 3.12Å; A126-I130 PolarHBondContact O-N 2.94Å; A126-I130 VanDerWaalsContact O-N 3.09Å
127F98.3Very high95.3Very high1 Ų166.5 Ų66.50%0.00440%0.395CS..Hα-helixtrans-58.9-46.3174.6-174.6-91.4000111.4V7 Y16 L103 S106 F107 V110 I122 S124 G129 I130 V131V7-F127 HydrophobicContact CG2-CZ 3.96Å; Y16-F127 AromaticContact CD1-CE1 3.83Å; Y16-F127 HydrophobicContact CD1-CE1 3.83Å; Y16-F127 HydrophobicContact CD2-CD1 4.22Å; Y16-F127 AromaticContact CD2-CE1 3.88Å; Y16-F127 HydrophobicContact CD2-CE1 3.88Å; Y16-F127 AromaticContact CE1-CE1 3.98Å; Y16-F127 HydrophobicContact CE1-CE1 3.98Å; Y16-F127 HydrophobicContact CE2-CD1 4.17Å; Y16-F127 HydrophobicContact CE2-CE1 4.06Å; Y16-F127 AromaticContact CG-CE1 3.74Å; Y16-F127 HydrophobicContact CG-CE1 3.74Å; L103-F127 HydrophobicContact CD1-CE1 4.43Å; L103-F127 HydrophobicContact CD1-CE2 3.93Å; L103-F127 HydrophobicContact CD1-CZ 3.54Å; S106-F127 VanDerWaalsContact OG-CD2 3.29Å; S106-F127 WeakPolarHBondContact OG-CD2 3.41Å; F107-F127 HydrophobicContact CB-CE2 4.11Å; V110-F127 HydrophobicContact CG2-CB 3.95Å; V110-F127 HydrophobicContact CG2-CD2 3.94Å; V110-F127 HydrophobicContact CG2-CG 4.2Å; I122-F127 HydrophobicContact CD1-CE1 4.47Å; I122-F127 HydrophobicContact CD1-CZ 4.29Å; I122-F127 HydrophobicContact CG2-CB 4.14Å; I122-F127 HydrophobicContact CG2-CD1 3.65Å; I122-F127 HydrophobicContact CG2-CD2 4.42Å; I122-F127 HydrophobicContact CG2-CE1 4.14Å; I122-F127 HydrophobicContact CG2-CG 3.82Å; S124-F127 PolarHBondContact O-N 3.42Å; S124-F127 PolarHBondContact OG-N 2.83Å; F127-G129 VanDerWaalsContact C-N 3.27Å; F127-G129 PolarHBondContact O-N 3.26Å; F127-I130 PolarHBondContact O-N 3.32Å; F127-I130 VanDerWaalsContact O-N 3.17Å; F127-V131 HydrophobicContact CD1-CG2 4.03Å; F127-V131 HydrophobicContact CE1-CG2 3.67Å; F127-V131 HydrophobicContact CZ-CG2 4.13Å; F127-V131 WeakPolarHBondContact O-CG2 3.41Å; F127-V131 PolarHBondContact O-N 3.49Å
128N97.3Very high93.9Very high51 Ų5166.6 Ų66.627%0.27340%0.4SS..Hα-helixtrans-59.8-36175.4-71.6-16000112.7Y16 R18 S124 K125 A126 S132Y16-N128 WeakPolarHBondContact CE2-OD1 3.46Å; Y16-N128 PolarHBondContact OH-OD1 3.28Å; R18-N128 PolarHBondContact NH1-O 2.75Å; R18-N128 VanDerWaalsContact NH1-O 3.15Å; S124-N128 VanDerWaalsContact O-CG 3.31Å; S124-N128 PolarHBondContact O-N 3.19Å; K125-N128 PolarHBondContact O-N 3.37Å; A126-N128 VanDerWaalsContact C-N 3.34Å; A126-N128 PolarHBondContact O-N 3.31Å; N128-S132 WeakPolarHBondContact O-CB 3.49Å; N128-S132 PolarHBondContact O-N 3.05Å; N128-S132 PolarHBondContact O-OG 3.01Å
129G97.6Very high91.9Very high44 Ų4468.2 Ų68.245%0.45444%0.437SS..Hα-helixtrans-62.3-47.4174.100000112.3K125 A126 F127 S132 G133K125-G129 PolarHBondContact O-N 3.02Å; A126-G129 PolarHBondContact O-N 3.29Å; A126-G129 VanDerWaalsContact O-N 3.12Å; F127-G129 VanDerWaalsContact C-N 3.27Å; F127-G129 PolarHBondContact O-N 3.26Å; G129-S132 WeakPolarHBondContact O-CB 3.35Å; G129-S132 PolarHBondContact O-N 3.21Å; G129-G133 PolarHBondContact O-N 2.97Å; G129-G133 VanDerWaalsContact O-N 3.1Å
130I97.9Very high91.9Very high77 Ų7770.5 Ų70.540%0.39545%0.447SS..Hα-helixtrans-61-46.4176.3-63.4-61000111.2A126 F127 S132 G133 M134A126-I130 PolarHBondContact O-N 2.94Å; A126-I130 VanDerWaalsContact O-N 3.09Å; F127-I130 PolarHBondContact O-N 3.32Å; F127-I130 VanDerWaalsContact O-N 3.17Å; I130-S132 PolarHBondContact O-N 2.91Å; I130-G133 PolarHBondContact O-N 3.16Å; I130-M134 HydrophobicContact CG2-CE 4.12Å
131V97.4Very high91.6Very high0 Ų070 Ų700%045%0.448CS..Hα-helixtrans-61.3-45.3176.4175.90000110.6I5 Y16 L103 F127 G133 M134 M135I5-V131 HydrophobicContact CB-CG1 4.14Å; I5-V131 HydrophobicContact CD1-CG1 4.07Å; I5-V131 HydrophobicContact CG2-CG1 4.44Å; Y16-V131 HydrophobicContact CE1-CB 4.38Å; Y16-V131 HydrophobicContact CE1-CG1 3.94Å; Y16-V131 HydrophobicContact CE1-CG2 3.92Å; Y16-V131 VanDerWaalsContact OH-CG1 3.31Å; Y16-V131 WeakPolarHBondContact OH-CG1 3.22Å; L103-V131 HydrophobicContact CD1-CG2 3.98Å; F127-V131 HydrophobicContact CD1-CG2 4.03Å; F127-V131 HydrophobicContact CE1-CG2 3.67Å; F127-V131 HydrophobicContact CZ-CG2 4.13Å; F127-V131 WeakPolarHBondContact O-CG2 3.41Å; F127-V131 PolarHBondContact O-N 3.49Å; V131-G133 VanDerWaalsContact C-N 3.27Å; V131-G133 PolarHBondContact O-N 3.37Å; V131-M134 PolarHBondContact O-N 3.2Å; V131-M135 HydrophobicContact CG1-CG 4.16Å; V131-M135 HydrophobicContact CG1-SD 3.89Å; V131-M135 WeakPolarHBondContact O-CG 3.5Å; V131-M135 PolarHBondContact O-N 2.98Å
132S95.9Very high91.3Very high49 Ų4969.6 Ų69.634%0.34345%0.445SS..Hα-helixtrans-54.6-43.6178.6-570000112.1R18 N128 G129 I130 M134 M135R18-S132 VanDerWaalsContact CZ-OG 3.3Å; R18-S132 PolarHBondContact NH1-OG 3Å; R18-S132 PolarHBondContact NH2-OG 3.2Å; N128-S132 WeakPolarHBondContact O-CB 3.49Å; N128-S132 PolarHBondContact O-N 3.05Å; N128-S132 PolarHBondContact O-OG 3.01Å; G129-S132 WeakPolarHBondContact O-CB 3.35Å; G129-S132 PolarHBondContact O-N 3.21Å; I130-S132 PolarHBondContact O-N 2.91Å; S132-M134 PolarHBondContact O-N 3.35Å; S132-M135 PolarHBondContact O-N 2.77Å; S132-M135 VanDerWaalsContact O-N 3.16Å
133G95.4Very high90.9Very high65 Ų6573.2 Ų73.267%0.6747%0.469SS*.Hα-helixtrans-67.1-13.8-179.800000114.5G129 I130 V131G129-G133 PolarHBondContact O-N 2.97Å; G129-G133 VanDerWaalsContact O-N 3.1Å; I130-G133 PolarHBondContact O-N 3.16Å; V131-G133 VanDerWaalsContact C-N 3.27Å; V131-G133 PolarHBondContact O-N 3.37Å
134M95.4Very high90.6Very high11 Ų1167.7 Ų67.75%0.05445%0.451CS..Hα-helixtrans-98.6-15.3175.8-65.4-170.4-69.400113.1A2 I5 M99 K102 L103 I130 V131 S132A2-M134 PolarHBondContact N-O 3.09Å; I5-M134 HydrophobicContact CD1-CB 3.84Å; I5-M134 HydrophobicContact CD1-CE 3.99Å; M99-M134 HydrophobicContact CB-SD 3.75Å; M99-M134 HydrophobicContact CE-CB 4.04Å; M99-M134 HydrophobicContact CG-CG 4.39Å; M99-M134 HydrophobicContact CG-SD 3.95Å; K102-M134 HydrophobicContact CB-SD 4.1Å; K102-M134 HydrophobicContact CD-SD 4.44Å; L103-M134 HydrophobicContact CB-CE 4.25Å; L103-M134 HydrophobicContact CD1-CE 4.32Å; I130-M134 HydrophobicContact CG2-CE 4.12Å; V131-M134 PolarHBondContact O-N 3.2Å; S132-M134 PolarHBondContact O-N 3.35Å
135M94Very high90.2Very high5 Ų569.3 Ų69.33%0.02546%0.461CS..BIsolated β-bridgetrans-83.8155.8-177.8-66.4-172.786.700112.1A2 I5 R18 V20 V131 S132 Q137A2-M135 CarbonylContact O-C 3.55Å; A2-M135 VanDerWaalsContact O-CA 3.27Å; A2-M135 WeakPolarHBondContact O-CA 3.24Å; I5-M135 HydrophobicContact CD1-CG 4.35Å; R18-M135 HydrophobicContact CB-CE 4.49Å; R18-M135 HydrophobicContact CB-SD 4.31Å; R18-M135 WeakPolarHBondContact CD-SD 3.07Å; R18-M135 HydrophobicContact CG-CE 3.94Å; R18-M135 HydrophobicContact CG-SD 3.64Å; R18-M135 PolarHBondContact NE-SD 3.09Å; R18-M135 VanDerWaalsContact NE-SD 3.36Å; R18-M135 WeakPolarHBondContact O-CE 3.5Å; V20-M135 HydrophobicContact CB-CE 4.01Å; V20-M135 HydrophobicContact CG2-CE 3.49Å; V20-M135 VanDerWaalsContact CG2-CE 3.49Å; V20-M135 HydrophobicContact CG2-SD 4.27Å; V131-M135 HydrophobicContact CG1-CG 4.16Å; V131-M135 HydrophobicContact CG1-SD 3.89Å; V131-M135 WeakPolarHBondContact O-CG 3.5Å; V131-M135 PolarHBondContact O-N 2.98Å; S132-M135 PolarHBondContact O-N 2.77Å; S132-M135 VanDerWaalsContact O-N 3.16Å; M135-Q137 PolarHBondContact O-N 3.24Å
136V92.1Very high89.7Confident46 Ų4660.6 Ų60.628%0.27944%0.435SS..PPolyproline II helixtrans-59135.6167.8-69.10000109.2M1 A2 V3 V20 T138M1-V136 HydrophobicContact CB-CB 4.41Å; M1-V136 HydrophobicContact CB-CG1 3.66Å; A2-V136 PolarHBondContact O-N 3.4Å; V3-V136 HydrophobicContact CG1-CG1 4.34Å; V3-V136 HydrophobicContact CG1-CG2 4.08Å; V20-V136 HydrophobicContact CB-CG2 4.19Å; V20-V136 HydrophobicContact CG1-CG2 3.9Å; V136-T138 PolarHBondContact O-N 3.49Å
137Q80.9Confident89.1Confident176 Ų17659.7 Ų59.782%0.82242%0.422SS*.PPolyproline II helixtrans-79.2119.8173.4-62.7-172.91.600108.4M135M135-Q137 PolarHBondContact O-N 3.24Å
138T65.7Low88.3Confident102 Ų10264.6 Ų64.663%0.62646%0.456SS*.PPolyproline II helixtrans-77.1123.7162.141.20000108.1V20 V136V20-T138 HydrophobicContact CG1-CG2 3.25Å; V136-T138 PolarHBondContact O-N 3.49Å
139G50.4Low87.5Confident149 Ų14965.8 Ų65.8100%1.53647%0.473SS*.  trans-65.40168.200000112.5

Retrieved 139 of 139 residues in 123.4 ms (Link to these results)

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