A0A087XY37_POEFO Loading...

Small ribosomal subunit protein uS17m

AlphaFold DB , UniProt , Accession A0A087XY37, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 146 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
1M45.8Very low72Confident244 Ų244127.4 Ų127.4100%1.20266%0.657SS**  095.20-68.2-60.9-155.300109.4G3M1-G3 PolarHBondContact O-N 3.22Å; M1-G3 VanDerWaalsContact O-N 3.16Å
2S57.2Low74.1Confident129 Ų129127.6 Ų127.690%0.90264%0.643SS**  trans-77.397.9179-179.80000109.5
3G60.5Low75.8Confident62 Ų62118.8 Ų118.864%0.63960%0.602SS**  trans-61.8147.9178.100000112.3M1 K5M1-G3 PolarHBondContact O-N 3.22Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-K5 PolarHBondContact O-N 3.46Å
4R63.4Low77.4Confident242 Ų242117.4 Ų117.491%0.91360%0.595SS**  trans-56.3112.2174.7-80.1-179.3178.9174.10.2109.6
5K65.7Low78.8Confident185 Ų185110 Ų11080%0.80456%0.56SS**  trans-79127.3175.6-160.6176.3-173.6178.90108.8G3 M7G3-K5 PolarHBondContact O-N 3.46Å; K5-M7 PolarHBondContact O-N 3.2Å
6I72.3Confident80Confident56 Ų56110.8 Ų110.829%0.28756%0.559SS.*  trans-72133.2175.3-65.4161.6000109.9V8 S70 V71 T72I6-V8 HydrophobicContact CB-CG2 4.4Å; I6-V8 HydrophobicContact CG2-CG2 3.48Å; I6-V8 VanDerWaalsContact CG2-CG2 3.48Å; I6-V8 PolarHBondContact O-N 3.48Å; I6-S70 WeakPolarHBondContact CD1-O 3.34Å; I6-S70 VanDerWaalsContact CG1-O 3.28Å; I6-S70 WeakPolarHBondContact CG1-O 3.33Å; I6-S70 PolarHBondContact N-O 3.33Å; I6-S70 VanDerWaalsContact N-O 3.16Å; I6-V71 VanDerWaalsContact CD1-C 3.41Å; I6-V71 VanDerWaalsContact CD1-CA 3.42Å; I6-T72 HydrophobicContact CD1-CG2 3.38Å
7M77Confident81.1Confident189 Ų189104.4 Ų104.493%0.93153%0.527SS*.  trans-87.394.2170.5-165.2163.166.900109.3K5K5-M7 PolarHBondContact O-N 3.2Å
8V86.4Confident82Confident28 Ų28101.7 Ų101.717%0.1751%0.513CS..  trans-103.6130.9168.6-164.90000108I6 A10 A68I6-V8 HydrophobicContact CB-CG2 4.4Å; I6-V8 HydrophobicContact CG2-CG2 3.48Å; I6-V8 VanDerWaalsContact CG2-CG2 3.48Å; I6-V8 PolarHBondContact O-N 3.48Å; V8-A10 PolarHBondContact O-N 2.82Å; V8-A68 HydrophobicContact CB-CB 4.27Å; V8-A68 HydrophobicContact CG2-CB 4.31Å
9H83.2Confident82.9Confident174 Ų17497.3 Ų97.381%0.80650%0.496SS*.SBendtrans-61.4-27.5177.4-172-57.2000112.7
10A87.2Confident83.6Confident3 Ų395.4 Ų95.43%0.02549%0.489CS..  trans-101.594176.200000109V8 H79V8-A10 PolarHBondContact O-N 2.82Å; A10-H79 PolarHBondContact O-CE1 3.17Å; A10-H79 VanDerWaalsContact O-CE1 3.24Å
11T93.6Very high84.2Confident89 Ų89100.8 Ų100.855%0.54651%0.509SS..SBendtrans-75.4-44.9175.147.90000111.3K67 A68T11-K67 CarbonylContact O-C 3.44Å; T11-K67 WeakPolarHBondContact O-CA 3.38Å; T11-A68 PolarHBondContact O-N 3.19Å
12W96.5Very high86.6Confident130 Ų13093.7 Ų93.749%0.49248%0.475SS..EExtended strand (participates in β ladder)trans-129.6141.3173.4-66.796.4000109.5L65 I66 K67 S82W12-L65 HydrophobicContact CE3-CD1 3.97Å; W12-L65 HydrophobicContact CE3-CD2 3.96Å; W12-L65 HydrophobicContact CE3-CG 3.87Å; W12-L65 HydrophobicContact CZ3-CD2 3.7Å; W12-L65 HydrophobicContact CZ3-CG 3.95Å; W12-I66 WeakPolarHBondContact CA-O 3.36Å; W12-K67 HydrophobicContact CD2-CB 4.49Å; W12-K67 HydrophobicContact CD2-CG 4.28Å; W12-K67 HydrophobicContact CE3-CB 3.99Å; W12-K67 HydrophobicContact CE3-CG 4.22Å; W12-K67 HydrophobicContact CH2-CB 4.1Å; W12-K67 HydrophobicContact CH2-CD 3.58Å; W12-K67 HydrophobicContact CH2-CG 3.84Å; W12-K67 HydrophobicContact CZ2-CD 3.73Å; W12-K67 HydrophobicContact CZ2-CG 3.85Å; W12-K67 HydrophobicContact CZ3-CB 3.8Å; W12-K67 HydrophobicContact CZ3-CD 4.16Å; W12-K67 HydrophobicContact CZ3-CG 4.01Å; W12-S82 WeakPolarHBondContact CZ3-OG 3.38Å
13A97Very high88.5Confident13 Ų1394.9 Ų94.911%0.10747%0.466CS..EExtended strand (participates in β ladder)trans-153153.4171.200000110.7V30 I66A13-V30 HydrophobicContact CB-CG1 4.11Å; A13-V30 HydrophobicContact CB-CG2 4.04Å; A13-I66 HydrophobicContact CB-CD1 4.09Å; A13-I66 HydrophobicContact CB-CG1 3.8Å; A13-I66 PolarHBondContact N-O 3.47Å; A13-I66 WeakPolarHBondContact O-CG1 3.29Å; A13-I66 PolarHBondContact O-N 3.23Å
14I97.9Very high90.2Very high99 Ų9997.4 Ų97.451%0.50846%0.459SS..EExtended strand (participates in β ladder)trans-106.2139.4171.2-65.4170.8000108I63 V64 L65I14-I63 HydrophobicContact CG2-CG2 3.53Å; I14-V64 WeakPolarHBondContact CA-O 3.48Å; I14-L65 HydrophobicContact CD1-CD1 4.47Å; I14-L65 HydrophobicContact CG1-CD1 3.72Å
15G97.9Very high91.9Very high7 Ų786.9 Ų86.97%0.07242%0.422CS..EExtended strand (participates in β ladder)trans-155.6169.5178.100000113.4R29 I63 V64G15-R29 CarbonylContact C-O 3.59Å; G15-R29 WeakPolarHBondContact CA-O 3.22Å; G15-I63 WeakPolarHBondContact O-CA 3.4Å; G15-V64 PolarHBondContact N-O 3.37Å; G15-V64 WeakPolarHBondContact O-CG2 3.35Å; G15-V64 PolarHBondContact O-N 3.4Å
16K98.4Very high93.4Very high123 Ų12378.1 Ų78.154%0.53538%0.384SS..EExtended strand (participates in β ladder)trans-98.6132.1177.6-175173.1-176.31700110.7I18 V28 R29 G61 D62K16-I18 PolarHBondContact O-N 3.5Å; K16-V28 CarbonylContact O-C 3.53Å; K16-R29 PolarHBondContact N-O 3Å; K16-R29 PolarHBondContact O-N 3.42Å; K16-G61 WeakPolarHBondContact CE-O 3.49Å; K16-D62 CarbonylContact C-O 3.48Å; K16-D62 VanDerWaalsContact CA-O 3.3Å; K16-D62 WeakPolarHBondContact CA-O 3.45Å
17V98.6Very high94.6Very high2 Ų279.6 Ų79.61%0.01239%0.388CS..EExtended strand (participates in β ladder)trans-68.8121.7174.4-177.80000109.4T20 A26 V28 C58 T59 G61 D62 V64V17-T20 HydrophobicContact CG1-CG2 3.76Å; V17-A26 HydrophobicContact CG1-CB 4.49Å; V17-V28 HydrophobicContact CG2-CG2 4.24Å; V17-C58 HydrophobicContact CG1-CB 4.48Å; V17-C58 HydrophobicContact CG2-CB 4.24Å; V17-T59 WeakPolarHBondContact CB-O 3.5Å; V17-T59 WeakPolarHBondContact CG1-O 3.27Å; V17-G61 PolarHBondContact O-N 3.46Å; V17-D62 HydrophobicContact CB-CB 4.47Å; V17-D62 HydrophobicContact CG2-CB 4Å; V17-D62 PolarHBondContact N-O 3.23Å; V17-V64 HydrophobicContact CG2-CB 4.46Å; V17-V64 HydrophobicContact CG2-CG1 3.71Å; V17-V64 HydrophobicContact CG2-CG2 3.84Å
18I98.2Very high95.7Very high55 Ų5570.6 Ų70.628%0.28234%0.344SS..EExtended strand (participates in β ladder)trans-94.4-34.2176.1-47.7167.6000110.8K16 K27 R29 T48 V60K16-I18 PolarHBondContact O-N 3.5Å; I18-K27 PolarHBondContact N-O 2.89Å; I18-R29 HydrophobicContact CD1-CB 3.62Å; I18-R29 HydrophobicContact CD1-CG 4.15Å; I18-R29 HydrophobicContact CG1-CB 3.68Å; I18-T48 HydrophobicContact CD1-CG2 3.83Å; I18-V60 WeakPolarHBondContact O-CG1 3.49Å
19G97.7Very high96.2Very high19 Ų1973.9 Ų73.920%0.19635%0.353CS..EExtended strand (participates in β ladder)trans-162.7145.6-172.600000113.7K27G19-K27 PolarHBondContact N-O 3.18Å; G19-K27 WeakPolarHBondContact O-CB 3.47Å; G19-K27 PolarHBondContact O-N 3.48Å
20T97.8Very high96.9Very high58 Ų5865.9 Ų65.936%0.35632%0.316SS..EExtended strand (participates in β ladder)trans-129.119.8-175.152.50000111.6V17 M22 C58 V60V17-T20 HydrophobicContact CG1-CG2 3.76Å; T20-M22 PolarHBondContact O-N 3.01Å; T20-M22 VanDerWaalsContact O-N 3.15Å; T20-C58 HydrophobicContact CG2-CB 4.21Å; T20-C58 WeakPolarHBondContact CG2-O 3.44Å; T20-V60 HydrophobicContact CG2-CG2 4.45Å
21K97.1Very high97.4Very high209 Ų20969.6 Ų69.691%0.90934%0.339SS*.EExtended strand (participates in β ladder)trans-67.4-11.9-177.9-65.8-173.2175.8-173.60114
22M95.9Very high97.6Very high96 Ų9670.3 Ų70.347%0.47333%0.332SS..EExtended strand (participates in β ladder)trans-99.2141.3-177.3-64.4174.564.900109.8T20 K24 T25 F50T20-M22 PolarHBondContact O-N 3.01Å; T20-M22 VanDerWaalsContact O-N 3.15Å; M22-K24 PolarHBondContact O-N 3.5Å; M22-T25 HydrophobicContact CE-CG2 4.2Å; M22-T25 PolarHBondContact O-N 3.35Å; M22-T25 HydrophobicContact SD-CG2 4.49Å; M22-F50 HydrophobicContact CE-CD1 4.45Å; M22-F50 HydrophobicContact CE-CE1 4.42Å; M22-F50 HydrophobicContact SD-CD1 3.97Å; M22-F50 HydrophobicContact SD-CE1 3.65Å
23Q96.4Very high97.6Very high154 Ų15469.5 Ų69.572%0.7234%0.337SS*.THydrogen-bonded Turntrans-61.7130.9176.2-60.7-66.4-44.800110.5T25Q23-T25 PolarHBondContact O-N 3.5Å; Q23-T25 PolarHBondContact O-OG1 2.97Å
24K96.7Very high97.7Very high115 Ų11571.9 Ų71.950%0.535%0.35SS..THydrogen-bonded Turntrans48.328177.9-57.5-176.2179.5-177.90114.8M22 H52 D53 E56M22-K24 PolarHBondContact O-N 3.5Å; K24-H52 PolarHBondContact O-ND1 3.29Å; K24-D53 CarbonylContact C-O 3.2Å; K24-D53 WeakPolarHBondContact CA-O 3.16Å; K24-D53 VanDerWaalsContact CB-O 3.29Å; K24-D53 WeakPolarHBondContact CB-O 3.3Å; K24-D53 PolarHBondContact O-N 3.48Å; K24-E56 HydrophobicContact CG-CG 4.22Å; K24-E56 WeakPolarHBondContact CG-OE1 3.28Å; K24-E56 PolarHBondContact N-OE1 3.05Å
25T97.7Very high97.7Very high21 Ų2170.7 Ų70.713%0.12934%0.344CS..EExtended strand (participates in β ladder)trans-147122.2-173.7-51.10000111.2M22 Q23 F50 V51 V77M22-T25 HydrophobicContact CE-CG2 4.2Å; M22-T25 PolarHBondContact O-N 3.35Å; M22-T25 HydrophobicContact SD-CG2 4.49Å; Q23-T25 PolarHBondContact O-N 3.5Å; Q23-T25 PolarHBondContact O-OG1 2.97Å; T25-F50 HydrophobicContact CG2-CB 4.15Å; T25-F50 HydrophobicContact CG2-CD1 4.19Å; T25-V51 CarbonylContact C-O 3.5Å; T25-V51 VanDerWaalsContact CA-O 3.25Å; T25-V51 WeakPolarHBondContact CA-O 3.48Å; T25-V51 WeakPolarHBondContact CG2-O 3.3Å; T25-V77 HydrophobicContact CG2-CG2 4.18Å
26A97.9Very high97.7Very high1 Ų172.9 Ų72.91%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-99.9141173.400000111.4V17 V28 V51 C58V17-A26 HydrophobicContact CG1-CB 4.49Å; A26-V28 HydrophobicContact CB-CG2 4.32Å; A26-V51 PolarHBondContact N-O 2.8Å; A26-V51 PolarHBondContact O-N 3.26Å; A26-C58 HydrophobicContact CB-CB 4.13Å
27K98.3Very high97.6Very high87 Ų8771.8 Ų71.838%0.37836%0.36SS..EExtended strand (participates in β ladder)trans-93.7111.1170.9-174.6177.2-177.1173.70109.2I18 G19 F50I18-K27 PolarHBondContact N-O 2.89Å; G19-K27 PolarHBondContact N-O 3.18Å; G19-K27 WeakPolarHBondContact O-CB 3.47Å; G19-K27 PolarHBondContact O-N 3.48Å; K27-F50 HydrophobicContact CB-CE1 4.46Å; K27-F50 HydrophobicContact CG-CE1 4.35Å
28V98.3Very high97.6Very high0 Ų078.5 Ų78.50%040%0.395CS..EExtended strand (participates in β ladder)trans-111.3134.5-173.6-179.50000111.2K16 V17 A26 T48 Y49 V51 V64 I66K16-V28 CarbonylContact O-C 3.53Å; V17-V28 HydrophobicContact CG2-CG2 4.24Å; A26-V28 HydrophobicContact CB-CG2 4.32Å; V28-T48 CarbonylContact O-C 3.54Å; V28-T48 VanDerWaalsContact O-CA 3.3Å; V28-T48 WeakPolarHBondContact O-CA 3.49Å; V28-Y49 PolarHBondContact N-O 3.42Å; V28-Y49 PolarHBondContact O-N 3.28Å; V28-V51 HydrophobicContact CB-CG2 3.92Å; V28-V51 HydrophobicContact CG2-CB 4.18Å; V28-V51 HydrophobicContact CG2-CG2 3.54Å; V28-V64 HydrophobicContact CB-CG2 4.5Å; V28-V64 HydrophobicContact CG1-CG2 3.83Å; V28-V64 HydrophobicContact CG2-CG2 3.79Å; V28-I66 HydrophobicContact CG1-CG2 4.42Å
29R98.4Very high97.6Very high96 Ų9681.1 Ų81.136%0.36241%0.409SS..EExtended strand (participates in β ladder)trans-92.8114.8171.1-159.3170.4-79.2163.1-1.3109.6G15 K16 I18 R46G15-R29 CarbonylContact C-O 3.59Å; G15-R29 WeakPolarHBondContact CA-O 3.22Å; K16-R29 PolarHBondContact N-O 3Å; K16-R29 PolarHBondContact O-N 3.42Å; I18-R29 HydrophobicContact CD1-CB 3.62Å; I18-R29 HydrophobicContact CD1-CG 4.15Å; I18-R29 HydrophobicContact CG1-CB 3.68Å; R29-R46 HydrophobicContact CG-CB 3.99Å
30V98Very high97.6Very high6 Ų686.4 Ų86.44%0.03643%0.432CS..EExtended strand (participates in β ladder)trans-96.5133.9167.2177.70000108.1A13 R32 R46 K47 Y49 I66A13-V30 HydrophobicContact CB-CG1 4.11Å; A13-V30 HydrophobicContact CB-CG2 4.04Å; V30-R32 HydrophobicContact CG1-CG 4.39Å; V30-R46 CarbonylContact O-C 3.54Å; V30-R46 WeakPolarHBondContact O-CA 3.48Å; V30-K47 PolarHBondContact N-O 3.12Å; V30-K47 PolarHBondContact O-N 2.95Å; V30-Y49 HydrophobicContact CB-CD2 3.9Å; V30-Y49 HydrophobicContact CB-CE2 3.86Å; V30-Y49 HydrophobicContact CG1-CE2 4.5Å; V30-Y49 HydrophobicContact CG2-CD2 3.55Å; V30-Y49 HydrophobicContact CG2-CE2 3.9Å; V30-I66 HydrophobicContact CG2-CD1 4.02Å
31T97.3Very high97.6Very high82 Ų8289.4 Ų89.450%0.50344%0.441SS..EExtended strand (participates in β ladder)trans-110.4138.9174.155.20000109R46T31-R46 HydrophobicContact CG2-CB 4.24Å
32R96.6Very high97.6Very high103 Ų10386.4 Ų86.439%0.38942%0.424SS..EExtended strand (participates in β ladder)trans-131.2144.9175.4-61.7-177-179.6-167.1-5.5108.3V30 K45V30-R32 HydrophobicContact CG1-CG 4.39Å; R32-K45 PolarHBondContact N-O 3.47Å; R32-K45 PolarHBondContact O-N 3.09Å
33L97.8Very high97.7Very high113 Ų11386.6 Ų86.659%0.59242%0.421SS*.EExtended strand (participates in β ladder)trans-77.7127.2171.4-65.5172.4000108.9Y42 N44L33-Y42 HydrophobicContact CB-CD1 3.98Å; L33-Y42 HydrophobicContact CB-CG 4.47Å; L33-N44 WeakPolarHBondContact CD2-OD1 3.25Å
34V98.1Very high97.8Very high64 Ų6485.1 Ų85.139%0.38842%0.418SS..EExtended strand (participates in β ladder)trans-124.3129.9175178.20000107.8Y43 K45V34-Y43 PolarHBondContact N-O 3.39Å; V34-Y43 PolarHBondContact O-N 2.96Å; V34-K45 HydrophobicContact CB-CB 4.24Å; V34-K45 HydrophobicContact CB-CD 4.5Å; V34-K45 HydrophobicContact CG2-CB 3.63Å; V34-K45 HydrophobicContact CG2-CD 3.84Å; V34-K45 HydrophobicContact CG2-CG 4.38Å
35L98.2Very high97.9Very high74 Ų7486.3 Ų86.339%0.38742%0.423SS..EExtended strand (participates in β ladder)trans-73.1127.3176.6-176.265.6000109.4L40 Y42L35-L40 VanDerWaalsContact CD1-C 3.46Å; L35-L40 HydrophobicContact CD2-CD2 4.47Å; L35-Y42 HydrophobicContact CB-CD1 4.14Å; L35-Y42 HydrophobicContact CB-CE1 3.84Å; L35-Y42 HydrophobicContact CD1-CD2 4.36Å; L35-Y42 HydrophobicContact CD1-CE1 4.34Å; L35-Y42 HydrophobicContact CD1-CE2 4.16Å
36D98Very high97.8Very high53 Ų5393.8 Ų93.828%0.28345%0.449SS..EExtended strand (participates in β ladder)trans-79.2120.9163.4-172.2-58.8000108.8N38 L39 L40 K41 Y43D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.18Å; D36-N38 WeakPolarHBondContact OD1-CB 3.35Å; D36-N38 PolarHBondContact OD1-N 3.2Å; D36-L39 HydrophobicContact CB-CB 4.49Å; D36-L39 PolarHBondContact OD1-N 3.35Å; D36-L40 VanDerWaalsContact O-CA 3.25Å; D36-L40 WeakPolarHBondContact O-CA 3.26Å; D36-L40 PolarHBondContact O-N 3.49Å; D36-K41 PolarHBondContact N-O 3.35Å; D36-Y43 HydrophobicContact CB-CD2 3.96Å; D36-Y43 HydrophobicContact CB-CE2 3.89Å
37P97.6Very high97.8Very high100 Ų10099.9 Ų99.965%0.64948%0.475SS*.THydrogen-bonded Turntrans-69.4-23.4-175.228.5-35000113.4
38N97.6Very high97.8Very high143 Ų14399 Ų9977%0.76548%0.477SS*.THydrogen-bonded Turntrans-83.8-42.3-177.8-65.4-16000111.1D36D36-N38 VanDerWaalsContact C-N 3.27Å; D36-N38 PolarHBondContact O-N 3.18Å; D36-N38 WeakPolarHBondContact OD1-CB 3.35Å; D36-N38 PolarHBondContact OD1-N 3.2Å
39L97.6Very high97.7Very high109 Ų109100.3 Ų100.357%0.57148%0.482SS*.THydrogen-bonded Turntrans-94.4-11.1-177.5-76.476.9000113.2D36 K41 Y43D36-L39 HydrophobicContact CB-CB 4.49Å; D36-L39 PolarHBondContact OD1-N 3.35Å; L39-K41 HydrophobicContact CB-CB 4.35Å; L39-K41 PolarHBondContact O-N 3.41Å; L39-K41 VanDerWaalsContact O-N 3.12Å; L39-Y43 WeakPolarHBondContact CD2-OH 3.44Å
40L97.5Very high97.7Very high130 Ų13098.1 Ų98.168%0.68148%0.475SS*.THydrogen-bonded Turntrans50.433.9-173.1-60.4175.6000113.2L35 D36L35-L40 VanDerWaalsContact CD1-C 3.46Å; L35-L40 HydrophobicContact CD2-CD2 4.47Å; D36-L40 VanDerWaalsContact O-CA 3.25Å; D36-L40 WeakPolarHBondContact O-CA 3.26Å; D36-L40 PolarHBondContact O-N 3.49Å
41K98.3Very high97.6Very high122 Ų12297.9 Ų97.953%0.5347%0.474SS..EExtended strand (participates in β ladder)trans-116.6140.3179.4-178.2169.7175.4178.70110.5D36 L39 Y43D36-K41 PolarHBondContact N-O 3.35Å; L39-K41 HydrophobicContact CB-CB 4.35Å; L39-K41 PolarHBondContact O-N 3.41Å; L39-K41 VanDerWaalsContact O-N 3.12Å; K41-Y43 HydrophobicContact CB-CE2 3.78Å; K41-Y43 HydrophobicContact CD-CE1 4.37Å; K41-Y43 HydrophobicContact CD-CE2 4.28Å; K41-Y43 HydrophobicContact CG-CE2 3.91Å; K41-Y43 VanDerWaalsContact O-CD2 3.28Å; K41-Y43 WeakPolarHBondContact O-CD2 3.25Å
42Y98.4Very high97.6Very high145 Ų14594.8 Ų94.857%0.56945%0.454SS*.EExtended strand (participates in β ladder)trans-80.8132.6175.3-71.4-82.3000111.4L33 L35L33-Y42 HydrophobicContact CB-CD1 3.98Å; L33-Y42 HydrophobicContact CB-CG 4.47Å; L35-Y42 HydrophobicContact CB-CD1 4.14Å; L35-Y42 HydrophobicContact CB-CE1 3.84Å; L35-Y42 HydrophobicContact CD1-CD2 4.36Å; L35-Y42 HydrophobicContact CD1-CE1 4.34Å; L35-Y42 HydrophobicContact CD1-CE2 4.16Å
43Y98.1Very high97.7Very high101 Ų10190.3 Ų90.340%0.39644%0.437SS..EExtended strand (participates in β ladder)trans-123.9149.5174.9-65.8-87.4000111.4V34 D36 L39 K41 K45V34-Y43 PolarHBondContact N-O 3.39Å; V34-Y43 PolarHBondContact O-N 2.96Å; D36-Y43 HydrophobicContact CB-CD2 3.96Å; D36-Y43 HydrophobicContact CB-CE2 3.89Å; L39-Y43 WeakPolarHBondContact CD2-OH 3.44Å; K41-Y43 HydrophobicContact CB-CE2 3.78Å; K41-Y43 HydrophobicContact CD-CE1 4.37Å; K41-Y43 HydrophobicContact CD-CE2 4.28Å; K41-Y43 HydrophobicContact CG-CE2 3.91Å; K41-Y43 VanDerWaalsContact O-CD2 3.28Å; K41-Y43 WeakPolarHBondContact O-CD2 3.25Å; Y43-K45 PolarHBondContact O-N 3.39Å
44N97.9Very high97.6Very high122 Ų12287.6 Ų87.665%0.65243%0.431SS*.EExtended strand (participates in β ladder)trans-74.5103.6178.3-72.9-30.6000110.9L33L33-N44 WeakPolarHBondContact CD2-OD1 3.25Å
45K97.7Very high97.5Very high141 Ų14190.7 Ų90.761%0.61345%0.445SS*.EExtended strand (participates in β ladder)trans-91.9120.7170-165171.5-172.1168.90109.9R32 V34 Y43R32-K45 PolarHBondContact N-O 3.47Å; R32-K45 PolarHBondContact O-N 3.09Å; V34-K45 HydrophobicContact CB-CB 4.24Å; V34-K45 HydrophobicContact CB-CD 4.5Å; V34-K45 HydrophobicContact CG2-CB 3.63Å; V34-K45 HydrophobicContact CG2-CD 3.84Å; V34-K45 HydrophobicContact CG2-CG 4.38Å; Y43-K45 PolarHBondContact O-N 3.39Å
46R97.4Very high97.4Very high178 Ų17891.9 Ų91.967%0.67245%0.449SS*.EExtended strand (participates in β ladder)trans-95.1141.7-179.465.2-170.6-179.8-158.50.5112.1R29 V30 T31R29-R46 HydrophobicContact CG-CB 3.99Å; V30-R46 CarbonylContact O-C 3.54Å; V30-R46 WeakPolarHBondContact O-CA 3.48Å; T31-R46 HydrophobicContact CG2-CB 4.24Å
47K97.1Very high97.3Very high129 Ų12994.1 Ų94.156%0.56146%0.457SS*.EExtended strand (participates in β ladder)trans-135.6137.5169.3-175.3167.6176.4175.90109.8V30 Y49V30-K47 PolarHBondContact N-O 3.12Å; V30-K47 PolarHBondContact O-N 2.95Å; K47-Y49 HydrophobicContact CB-CE2 3.94Å; K47-Y49 HydrophobicContact CD-CE2 3.96Å; K47-Y49 HydrophobicContact CG-CD2 4.35Å; K47-Y49 HydrophobicContact CG-CE2 3.73Å
48T97.8Very high97.3Very high69 Ų6989.8 Ų89.842%0.42343%0.429SS..EExtended strand (participates in β ladder)trans-93.6136.3178.252.70000111I18 V28I18-T48 HydrophobicContact CD1-CG2 3.83Å; V28-T48 CarbonylContact O-C 3.54Å; V28-T48 VanDerWaalsContact O-CA 3.3Å; V28-T48 WeakPolarHBondContact O-CA 3.49Å
49Y97.1Very high97.3Very high27 Ų2785.6 Ų85.611%0.10641%0.409CS..EExtended strand (participates in β ladder)trans-123.3144.1176.2-69.5-88.8000109.4V28 V30 K47 I66 H79V28-Y49 PolarHBondContact N-O 3.42Å; V28-Y49 PolarHBondContact O-N 3.28Å; V30-Y49 HydrophobicContact CB-CD2 3.9Å; V30-Y49 HydrophobicContact CB-CE2 3.86Å; V30-Y49 HydrophobicContact CG1-CE2 4.5Å; V30-Y49 HydrophobicContact CG2-CD2 3.55Å; V30-Y49 HydrophobicContact CG2-CE2 3.9Å; K47-Y49 HydrophobicContact CB-CE2 3.94Å; K47-Y49 HydrophobicContact CD-CE2 3.96Å; K47-Y49 HydrophobicContact CG-CD2 4.35Å; K47-Y49 HydrophobicContact CG-CE2 3.73Å; Y49-I66 HydrophobicContact CG-CD1 4.3Å; Y49-H79 AromaticContact CD1-CD2 3.42Å; Y49-H79 VanDerWaalsContact CD1-CD2 3.42Å; Y49-H79 WeakPolarHBondContact CD1-CD2 3.5Å; Y49-H79 AromaticContact CD1-NE2 3.15Å; Y49-H79 WeakPolarHBondContact CD1-NE2 3.38Å; Y49-H79 AromaticContact CE1-NE2 3.41Å; Y49-H79 WeakPolarHBondContact CE1-NE2 3.32Å
50F97.3Very high97.3Very high50 Ų5084.4 Ų84.422%0.21941%0.406CS..EExtended strand (participates in β ladder)trans-96.5129.5169.2-66.3-82.3000108.9M22 T25 K27 H76 V77M22-F50 HydrophobicContact CE-CD1 4.45Å; M22-F50 HydrophobicContact CE-CE1 4.42Å; M22-F50 HydrophobicContact SD-CD1 3.97Å; M22-F50 HydrophobicContact SD-CE1 3.65Å; T25-F50 HydrophobicContact CG2-CB 4.15Å; T25-F50 HydrophobicContact CG2-CD1 4.19Å; K27-F50 HydrophobicContact CB-CE1 4.46Å; K27-F50 HydrophobicContact CG-CE1 4.35Å; F50-H76 HydrophobicContact CD2-CB 3.61Å; F50-H76 HydrophobicContact CE2-CB 4.05Å; F50-H76 HydrophobicContact CG-CB 4.39Å; F50-V77 HydrophobicContact CB-CG2 4Å
51V97.7Very high97.4Very high0 Ų079 Ų790%038%0.382CS..EExtended strand (participates in β ladder)trans-122.1126.7-170.5-177.70000107.5T25 A26 V28 D53 I66 H79 E80 L81T25-V51 CarbonylContact C-O 3.5Å; T25-V51 VanDerWaalsContact CA-O 3.25Å; T25-V51 WeakPolarHBondContact CA-O 3.48Å; T25-V51 WeakPolarHBondContact CG2-O 3.3Å; A26-V51 PolarHBondContact N-O 2.8Å; A26-V51 PolarHBondContact O-N 3.26Å; V28-V51 HydrophobicContact CB-CG2 3.92Å; V28-V51 HydrophobicContact CG2-CB 4.18Å; V28-V51 HydrophobicContact CG2-CG2 3.54Å; V51-D53 PolarHBondContact O-N 3.08Å; V51-I66 HydrophobicContact CB-CG2 4.43Å; V51-I66 HydrophobicContact CG1-CG2 3.95Å; V51-I66 HydrophobicContact CG2-CB 4.23Å; V51-I66 HydrophobicContact CG2-CD1 4.3Å; V51-I66 HydrophobicContact CG2-CG2 3.6Å; V51-H79 WeakPolarHBondContact CA-O 3.41Å; V51-H79 HydrophobicContact CG2-CB 4.22Å; V51-E80 VanDerWaalsContact CG1-C 3.42Å; V51-L81 HydrophobicContact CG1-CB 3.93Å
52H97.3Very high97.4Very high17 Ų1773.2 Ų73.28%0.07936%0.357CS..EExtended strand (participates in β ladder)trans-71.7125171.9-173.946.5000109.5K24 R73 V77 H79 L81K24-H52 PolarHBondContact O-ND1 3.29Å; H52-R73 VanDerWaalsContact NE2-CZ 3.29Å; H52-R73 PolarHBondContact NE2-NH1 3.5Å; H52-R73 VanDerWaalsContact NE2-NH1 3.12Å; H52-V77 HydrophobicContact CB-CG1 3.92Å; H52-H79 PolarHBondContact N-O 2.95Å; H52-L81 PolarHBondContact O-N 3.26Å
53D97Very high97.3Very high9 Ų969.4 Ų69.45%0.04835%0.345CS..  trans-123.2105.9173.8179.5-4000107K24 V51 L55 E56 Q57 C58 L81K24-D53 CarbonylContact C-O 3.2Å; K24-D53 WeakPolarHBondContact CA-O 3.16Å; K24-D53 VanDerWaalsContact CB-O 3.29Å; K24-D53 WeakPolarHBondContact CB-O 3.3Å; K24-D53 PolarHBondContact O-N 3.48Å; V51-D53 PolarHBondContact O-N 3.08Å; D53-L55 VanDerWaalsContact C-N 3.31Å; D53-L55 PolarHBondContact O-N 2.91Å; D53-L55 PolarHBondContact OD1-N 3.11Å; D53-E56 PolarHBondContact OD1-N 3.25Å; D53-E56 WeakPolarHBondContact OD2-CA 3.47Å; D53-Q57 PolarHBondContact OD2-N 2.8Å; D53-C58 WeakPolarHBondContact OD2-CB 3.25Å; D53-C58 PolarHBondContact OD2-N 2.96Å; D53-C58 PolarHBondContact OD2-SG 2.64Å; D53-L81 HydrophobicContact CB-CB 4.49Å; D53-L81 HydrophobicContact CB-CD2 4.24Å
54A95.6Very high97.4Very high56 Ų5664.6 Ų64.646%0.46333%0.326SS..SBendtrans-70.5-29.8-173.600000113
55L96.8Very high97.4Very high130 Ų13060.5 Ų60.568%0.68130%0.304SS*.SBendtrans-105.8-1-172.1-61.7175.9000112.5D53 Q57D53-L55 VanDerWaalsContact C-N 3.31Å; D53-L55 PolarHBondContact O-N 2.91Å; D53-L55 PolarHBondContact OD1-N 3.11Å; L55-Q57 HydrophobicContact CB-CG 3.7Å; L55-Q57 PolarHBondContact O-N 2.91Å
56E96.4Very high97.3Very high98 Ų9853.8 Ų53.846%0.45828%0.275SS..  trans53.636-179.7-60.1-176.1168.600112.9K24 D53 C58K24-E56 HydrophobicContact CG-CG 4.22Å; K24-E56 WeakPolarHBondContact CG-OE1 3.28Å; K24-E56 PolarHBondContact N-OE1 3.05Å; D53-E56 PolarHBondContact OD1-N 3.25Å; D53-E56 WeakPolarHBondContact OD2-CA 3.47Å; E56-C58 VanDerWaalsContact C-N 3.34Å
57Q96Very high97.3Very high101 Ų10149.9 Ų49.947%0.47226%0.263SS..  trans-78-20.7-176.7-68.1176.75.500112.7D53 L55 I84 K87D53-Q57 PolarHBondContact OD2-N 2.8Å; L55-Q57 HydrophobicContact CB-CG 3.7Å; L55-Q57 PolarHBondContact O-N 2.91Å; Q57-I84 HydrophobicContact CB-CD1 3.93Å; Q57-K87 PolarHBondContact O-NZ 2.82Å
58C97.2Very high97.2Very high8 Ų844.8 Ų44.85%0.05425%0.245CC..  trans-65.3135.8-178.3-68.50000112V17 T20 A26 D53 E56 L81V17-C58 HydrophobicContact CG1-CB 4.48Å; V17-C58 HydrophobicContact CG2-CB 4.24Å; T20-C58 HydrophobicContact CG2-CB 4.21Å; T20-C58 WeakPolarHBondContact CG2-O 3.44Å; A26-C58 HydrophobicContact CB-CB 4.13Å; D53-C58 WeakPolarHBondContact OD2-CB 3.25Å; D53-C58 PolarHBondContact OD2-N 2.96Å; D53-C58 PolarHBondContact OD2-SG 2.64Å; E56-C58 VanDerWaalsContact C-N 3.34Å; C58-L81 WeakPolarHBondContact SG-CD2 3.42Å
59T97.8Very high97Very high55 Ų5542.4 Ų42.434%0.33723%0.23SC..  trans-111.9154.1167.640.10000111.1V17 G61 D62 K87 V88V17-T59 WeakPolarHBondContact CB-O 3.5Å; V17-T59 WeakPolarHBondContact CG1-O 3.27Å; T59-G61 PolarHBondContact O-N 3.04Å; T59-D62 PolarHBondContact N-OD2 2.86Å; T59-D62 WeakPolarHBondContact O-CB 3.25Å; T59-D62 VanDerWaalsContact O-CG 3.24Å; T59-D62 PolarHBondContact O-N 3.09Å; T59-D62 PolarHBondContact OG1-OD1 3.23Å; T59-D62 PolarHBondContact OG1-OD2 3.12Å; T59-K87 WeakPolarHBondContact OG1-CE 3.14Å; T59-K87 PolarHBondContact OG1-NZ 2.67Å; T59-V88 WeakPolarHBondContact OG1-CG1 3.34Å
60V98.1Very high96.6Very high84 Ų8444.9 Ų44.951%0.50925%0.251SS..THydrogen-bonded Turntrans-62.5124.6176.6179.30000109I18 T20I18-V60 WeakPolarHBondContact O-CG1 3.49Å; T20-V60 HydrophobicContact CG2-CG2 4.45Å
61G97.8Very high96.3Very high17 Ų1747.1 Ų47.118%0.17527%0.269CS..THydrogen-bonded Turntrans106.5-16.8-17800000115K16 V17 T59K16-G61 WeakPolarHBondContact CE-O 3.49Å; V17-G61 PolarHBondContact O-N 3.46Å; T59-G61 PolarHBondContact O-N 3.04Å
62D98.3Very high95.8Very high0 Ų050.1 Ų50.10%029%0.287CS..  trans-61.4148.5178.9-66.8-4.7000112K16 V17 T59 V64 I84 Y86 K87 V88K16-D62 CarbonylContact C-O 3.48Å; K16-D62 VanDerWaalsContact CA-O 3.3Å; K16-D62 WeakPolarHBondContact CA-O 3.45Å; V17-D62 HydrophobicContact CB-CB 4.47Å; V17-D62 HydrophobicContact CG2-CB 4Å; V17-D62 PolarHBondContact N-O 3.23Å; T59-D62 PolarHBondContact N-OD2 2.86Å; T59-D62 WeakPolarHBondContact O-CB 3.25Å; T59-D62 VanDerWaalsContact O-CG 3.24Å; T59-D62 PolarHBondContact O-N 3.09Å; T59-D62 PolarHBondContact OG1-OD1 3.23Å; T59-D62 PolarHBondContact OG1-OD2 3.12Å; D62-V64 HydrophobicContact CB-CG1 4.07Å; D62-I84 HydrophobicContact CB-CG2 4.32Å; D62-Y86 WeakPolarHBondContact CA-O 3.06Å; D62-K87 IonicContact OD1-NZ 3.99Å; D62-K87 WeakPolarHBondContact OD2-CD 3.49Å; D62-K87 IonicContact OD2-NZ 2.8Å; D62-K87 PolarHBondContact OD2-NZ 2.87Å; D62-V88 WeakPolarHBondContact OD1-CB 3.45Å; D62-V88 VanDerWaalsContact OD1-CG1 3.25Å; D62-V88 WeakPolarHBondContact OD1-CG1 3.46Å; D62-V88 PolarHBondContact OD1-N 2.79Å
63I98.1Very high95.5Very high65 Ų6556.8 Ų56.833%0.33331%0.312SS..EExtended strand (participates in β ladder)trans-98.2121.5167-56.2-169.9000107.9I14 G15 V85 Y86I14-I63 HydrophobicContact CG2-CG2 3.53Å; G15-I63 WeakPolarHBondContact O-CA 3.4Å; I63-V85 HydrophobicContact CG2-CB 4.5Å; I63-V85 PolarHBondContact O-N 2.86Å; I63-Y86 HydrophobicContact CB-CD2 3.96Å; I63-Y86 HydrophobicContact CB-CG 4.49Å; I63-Y86 HydrophobicContact CD1-CD2 3.97Å; I63-Y86 HydrophobicContact CG1-CD2 4.38Å; I63-Y86 HydrophobicContact CG2-CD2 4.14Å; I63-Y86 PolarHBondContact N-O 2.8Å; I63-Y86 PolarHBondContact O-N 3.21Å
64V98.3Very high95.3Very high0 Ų059.5 Ų59.50%033%0.331CS..EExtended strand (participates in β ladder)trans-126.2143.8-171-64.30000111.4I14 G15 V17 V28 D62 I66 L81 I84I14-V64 WeakPolarHBondContact CA-O 3.48Å; G15-V64 PolarHBondContact N-O 3.37Å; G15-V64 WeakPolarHBondContact O-CG2 3.35Å; G15-V64 PolarHBondContact O-N 3.4Å; V17-V64 HydrophobicContact CG2-CB 4.46Å; V17-V64 HydrophobicContact CG2-CG1 3.71Å; V17-V64 HydrophobicContact CG2-CG2 3.84Å; V28-V64 HydrophobicContact CB-CG2 4.5Å; V28-V64 HydrophobicContact CG1-CG2 3.83Å; V28-V64 HydrophobicContact CG2-CG2 3.79Å; D62-V64 HydrophobicContact CB-CG1 4.07Å; V64-I66 HydrophobicContact CG2-CG2 4.04Å; V64-L81 HydrophobicContact CB-CD1 3.7Å; V64-L81 HydrophobicContact CG1-CD1 3.82Å; V64-L81 HydrophobicContact CG2-CD1 4.39Å; V64-I84 HydrophobicContact CG1-CG1 4.18Å; V64-I84 HydrophobicContact CG1-CG2 4.48Å
65L98.2Very high95.1Very high36 Ų3664.9 Ų64.919%0.18834%0.344CS..EExtended strand (participates in β ladder)trans-92.2122.9170.1-17865.8000108.8W12 I14 S82 E83 V85W12-L65 HydrophobicContact CE3-CD1 3.97Å; W12-L65 HydrophobicContact CE3-CD2 3.96Å; W12-L65 HydrophobicContact CE3-CG 3.87Å; W12-L65 HydrophobicContact CZ3-CD2 3.7Å; W12-L65 HydrophobicContact CZ3-CG 3.95Å; I14-L65 HydrophobicContact CD1-CD1 4.47Å; I14-L65 HydrophobicContact CG1-CD1 3.72Å; L65-S82 WeakPolarHBondContact O-CB 3.47Å; L65-S82 PolarHBondContact O-N 2.92Å; L65-E83 HydrophobicContact CB-CB 4.33Å; L65-E83 PolarHBondContact N-O 2.91Å; L65-E83 PolarHBondContact O-N 3.24Å; L65-V85 HydrophobicContact CB-CG2 3.83Å
66I97.3Very high94.9Very high0 Ų064.2 Ų64.20%034%0.337CS..EExtended strand (participates in β ladder)trans-112.3136.8-177.866.4162.8000110.1W12 A13 V28 V30 Y49 V51 V64 H79 E80W12-I66 WeakPolarHBondContact CA-O 3.36Å; A13-I66 HydrophobicContact CB-CD1 4.09Å; A13-I66 HydrophobicContact CB-CG1 3.8Å; A13-I66 PolarHBondContact N-O 3.47Å; A13-I66 WeakPolarHBondContact O-CG1 3.29Å; A13-I66 PolarHBondContact O-N 3.23Å; V28-I66 HydrophobicContact CG1-CG2 4.42Å; V30-I66 HydrophobicContact CG2-CD1 4.02Å; Y49-I66 HydrophobicContact CG-CD1 4.3Å; V51-I66 HydrophobicContact CB-CG2 4.43Å; V51-I66 HydrophobicContact CG1-CG2 3.95Å; V51-I66 HydrophobicContact CG2-CB 4.23Å; V51-I66 HydrophobicContact CG2-CD1 4.3Å; V51-I66 HydrophobicContact CG2-CG2 3.6Å; V64-I66 HydrophobicContact CG2-CG2 4.04Å; I66-H79 HydrophobicContact CB-CB 4.4Å; I66-H79 HydrophobicContact CD1-CB 4.29Å; I66-E80 WeakPolarHBondContact CA-O 3.46Å
67K96.3Very high94.9Very high96 Ų9660.2 Ų60.242%0.41732%0.319SS..EExtended strand (participates in β ladder)trans-114.6142.4179.9-173-177.6-177.1175.40110T11 W12 H79 E80T11-K67 CarbonylContact O-C 3.44Å; T11-K67 WeakPolarHBondContact O-CA 3.38Å; W12-K67 HydrophobicContact CD2-CB 4.49Å; W12-K67 HydrophobicContact CD2-CG 4.28Å; W12-K67 HydrophobicContact CE3-CB 3.99Å; W12-K67 HydrophobicContact CE3-CG 4.22Å; W12-K67 HydrophobicContact CH2-CB 4.1Å; W12-K67 HydrophobicContact CH2-CD 3.58Å; W12-K67 HydrophobicContact CH2-CG 3.84Å; W12-K67 HydrophobicContact CZ2-CD 3.73Å; W12-K67 HydrophobicContact CZ2-CG 3.85Å; W12-K67 HydrophobicContact CZ3-CB 3.8Å; W12-K67 HydrophobicContact CZ3-CD 4.16Å; W12-K67 HydrophobicContact CZ3-CG 4.01Å; K67-H79 CarbonylContact O-C 3.48Å; K67-H79 WeakPolarHBondContact O-CA 3.45Å; K67-H79 WeakPolarHBondContact O-CB 3.46Å; K67-E80 PolarHBondContact N-O 3.16Å; K67-E80 PolarHBondContact O-N 3.18Å
68A95.8Very high94.9Very high23 Ų2359.8 Ų59.819%0.1932%0.316CS..EExtended strand (participates in β ladder)trans-68.8134.1171.400000111.1V8 T11V8-A68 HydrophobicContact CB-CB 4.27Å; V8-A68 HydrophobicContact CG2-CB 4.31Å; T11-A68 PolarHBondContact O-N 3.19Å
69L92.8Very high94.9Very high18 Ų1859.6 Ų59.69%0.09431%0.314CS..  trans-73.7146.7171.9-75.3165.4000110.8V71 R73 K78 E80L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 VanDerWaalsContact CB-O 3.29Å; L69-V71 WeakPolarHBondContact CB-O 3.3Å; L69-R73 HydrophobicContact CD1-CG 3.74Å; L69-K78 PolarHBondContact N-O 2.97Å; L69-E80 HydrophobicContact CD2-CB 3.72Å; L69-E80 HydrophobicContact CD2-CG 4.41Å; L69-E80 WeakPolarHBondContact CD2-OE2 3.17Å; L69-E80 HydrophobicContact CG-CB 3.93Å
70S89.8Confident94.8Very high79 Ų7960.4 Ų60.455%0.55231%0.314SS*.SBendtrans-67-35.3169.854.10000111.9I6I6-S70 WeakPolarHBondContact CD1-O 3.34Å; I6-S70 VanDerWaalsContact CG1-O 3.28Å; I6-S70 WeakPolarHBondContact CG1-O 3.33Å; I6-S70 PolarHBondContact N-O 3.33Å; I6-S70 VanDerWaalsContact N-O 3.16Å
71V88.9Confident94.8Very high97 Ų9757.7 Ų57.759%0.58830%0.297SS*.SBendtrans-127.1132.8178.3-176.90000110.1I6 L69 R73I6-V71 VanDerWaalsContact CD1-C 3.41Å; I6-V71 VanDerWaalsContact CD1-CA 3.42Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 VanDerWaalsContact CB-O 3.29Å; L69-V71 WeakPolarHBondContact CB-O 3.3Å; V71-R73 PolarHBondContact O-N 2.89Å
72T88.5Confident94.8Very high63 Ų6359.8 Ų59.839%0.38731%0.309SS..  trans-71126.8-179.244.90000108.5I6 K78I6-T72 HydrophobicContact CD1-CG2 3.38Å; T72-K78 HydrophobicContact CG2-CG 3.93Å
73R90.5Very high94.7Very high158 Ų15865.3 Ų65.360%0.59634%0.335SS*.SBendtrans-72.7-35.8173.8-69.3-107.2-176.4160.75.1111.7H52 L69 V71 V77H52-R73 VanDerWaalsContact NE2-CZ 3.29Å; H52-R73 PolarHBondContact NE2-NH1 3.5Å; H52-R73 VanDerWaalsContact NE2-NH1 3.12Å; L69-R73 HydrophobicContact CD1-CG 3.74Å; V71-R73 PolarHBondContact O-N 2.89Å; R73-V77 HydrophobicContact CB-CB 4.37Å; R73-V77 HydrophobicContact CB-CG1 4.23Å; R73-V77 PolarHBondContact N-O 3.36Å
74S92.1Very high94.7Very high66 Ų6664.1 Ų64.146%0.46233%0.328SS..SBendtrans-152.7176.6179.9-177.80000110.3H76 V77S74-H76 PolarHBondContact O-N 3.04Å; S74-V77 PolarHBondContact O-N 2.87Å
75K92Very high94.6Very high169 Ų16966.4 Ų66.474%0.73534%0.343SS*.SBendtrans-52.7-41.6178.9-175.2177.2-179.41780112.7
76H93.9Very high94.6Very high115 Ų11568.9 Ų68.953%0.53235%0.35SS..SBendtrans-104.5-21.1-175.5-56.2109.2000113.8F50 S74 K78F50-H76 HydrophobicContact CD2-CB 3.61Å; F50-H76 HydrophobicContact CE2-CB 4.05Å; F50-H76 HydrophobicContact CG-CB 4.39Å; S74-H76 PolarHBondContact O-N 3.04Å; H76-K78 PolarHBondContact O-N 3.19Å
77V96.1Very high94.6Very high14 Ų1471.6 Ų71.69%0.08536%0.362CS..EExtended strand (participates in β ladder)trans-90.794.2-177.7-172.90000109.2T25 F50 H52 R73 S74T25-V77 HydrophobicContact CG2-CG2 4.18Å; F50-V77 HydrophobicContact CB-CG2 4Å; H52-V77 HydrophobicContact CB-CG1 3.92Å; R73-V77 HydrophobicContact CB-CB 4.37Å; R73-V77 HydrophobicContact CB-CG1 4.23Å; R73-V77 PolarHBondContact N-O 3.36Å; S74-V77 PolarHBondContact O-N 2.87Å
78K95.4Very high94.6Very high92 Ų9270.7 Ų70.740%0.436%0.364SS..EExtended strand (participates in β ladder)trans-111.8-8.3-179.3-56.5-173.1179.7-1760113.2L69 T72 H76L69-K78 PolarHBondContact N-O 2.97Å; T72-K78 HydrophobicContact CG2-CG 3.93Å; H76-K78 PolarHBondContact O-N 3.19Å
79H96.9Very high94.6Very high4 Ų473.4 Ų73.42%0.01939%0.394CS..EExtended strand (participates in β ladder)trans-122.3155.9-176.1-58.2-79.6000110.6A10 Y49 V51 H52 I66 K67A10-H79 PolarHBondContact O-CE1 3.17Å; A10-H79 VanDerWaalsContact O-CE1 3.24Å; Y49-H79 AromaticContact CD1-CD2 3.42Å; Y49-H79 VanDerWaalsContact CD1-CD2 3.42Å; Y49-H79 WeakPolarHBondContact CD1-CD2 3.5Å; Y49-H79 AromaticContact CD1-NE2 3.15Å; Y49-H79 WeakPolarHBondContact CD1-NE2 3.38Å; Y49-H79 AromaticContact CE1-NE2 3.41Å; Y49-H79 WeakPolarHBondContact CE1-NE2 3.32Å; V51-H79 WeakPolarHBondContact CA-O 3.41Å; V51-H79 HydrophobicContact CG2-CB 4.22Å; H52-H79 PolarHBondContact N-O 2.95Å; I66-H79 HydrophobicContact CB-CB 4.4Å; I66-H79 HydrophobicContact CD1-CB 4.29Å; K67-H79 CarbonylContact O-C 3.48Å; K67-H79 WeakPolarHBondContact O-CA 3.45Å; K67-H79 WeakPolarHBondContact O-CB 3.46Å
80E96.5Very high94.7Very high73 Ų7382.2 Ų82.234%0.34143%0.426SS..EExtended strand (participates in β ladder)trans-122.3148.7174.4-178.7169.8-143.900109V51 I66 K67 L69 S82V51-E80 VanDerWaalsContact CG1-C 3.42Å; I66-E80 WeakPolarHBondContact CA-O 3.46Å; K67-E80 PolarHBondContact N-O 3.16Å; K67-E80 PolarHBondContact O-N 3.18Å; L69-E80 HydrophobicContact CD2-CB 3.72Å; L69-E80 HydrophobicContact CD2-CG 4.41Å; L69-E80 WeakPolarHBondContact CD2-OE2 3.17Å; L69-E80 HydrophobicContact CG-CB 3.93Å; E80-S82 PolarHBondContact O-N 2.96Å
81L97.6Very high95Very high27 Ų2780.9 Ų80.914%0.14141%0.414CS..EExtended strand (participates in β ladder)trans-70.2118.8172.9-177.969.2000108.3V51 H52 D53 C58 V64 I84V51-L81 HydrophobicContact CG1-CB 3.93Å; H52-L81 PolarHBondContact O-N 3.26Å; D53-L81 HydrophobicContact CB-CB 4.49Å; D53-L81 HydrophobicContact CB-CD2 4.24Å; C58-L81 WeakPolarHBondContact SG-CD2 3.42Å; V64-L81 HydrophobicContact CB-CD1 3.7Å; V64-L81 HydrophobicContact CG1-CD1 3.82Å; V64-L81 HydrophobicContact CG2-CD1 4.39Å; L81-I84 HydrophobicContact CD2-CG1 4.38Å
82S97.3Very high95.3Very high61 Ų6179.5 Ų79.543%0.42741%0.406SS..EExtended strand (participates in β ladder)trans-89.6-50.1174.3-169.90000110.7W12 L65 E80W12-S82 WeakPolarHBondContact CZ3-OG 3.38Å; L65-S82 WeakPolarHBondContact O-CB 3.47Å; L65-S82 PolarHBondContact O-N 2.92Å; E80-S82 PolarHBondContact O-N 2.96Å
83E96.6Very high95.6Very high116 Ų11678 Ų7854%0.54240%0.396SS..EExtended strand (participates in β ladder)trans-156.6146.6-173.4-171.2178.5171.700110.3L65L65-E83 HydrophobicContact CB-CB 4.33Å; L65-E83 PolarHBondContact N-O 2.91Å; L65-E83 PolarHBondContact O-N 3.24Å
84I97.7Very high95.8Very high39 Ų3975.3 Ų75.320%0.240%0.398CS..EExtended strand (participates in β ladder)trans-90.6101166.6-58.7172.6000106.9Q57 D62 V64 L81 K87Q57-I84 HydrophobicContact CB-CD1 3.93Å; D62-I84 HydrophobicContact CB-CG2 4.32Å; V64-I84 HydrophobicContact CG1-CG1 4.18Å; V64-I84 HydrophobicContact CG1-CG2 4.48Å; L81-I84 HydrophobicContact CD2-CG1 4.38Å; I84-K87 HydrophobicContact CD1-CD 4.49Å; I84-K87 HydrophobicContact CG2-CB 4.33Å; I84-K87 HydrophobicContact CG2-CD 4.02Å
85V97.3Very high95.8Very high49 Ų4979.7 Ų79.730%0.29742%0.416SS..EExtended strand (participates in β ladder)trans-68.4-46.5-177.2-175.40000110.4I63 L65I63-V85 HydrophobicContact CG2-CB 4.5Å; I63-V85 PolarHBondContact O-N 2.86Å; L65-V85 HydrophobicContact CB-CG2 3.83Å
86Y97.5Very high95.8Very high88 Ų8874.3 Ų74.335%0.34540%0.398SS..EExtended strand (participates in β ladder)trans-134.8116.3176.5-56.8-63.5000110.3D62 I63 V91D62-Y86 WeakPolarHBondContact CA-O 3.06Å; I63-Y86 HydrophobicContact CB-CD2 3.96Å; I63-Y86 HydrophobicContact CB-CG 4.49Å; I63-Y86 HydrophobicContact CD1-CD2 3.97Å; I63-Y86 HydrophobicContact CG1-CD2 4.38Å; I63-Y86 HydrophobicContact CG2-CD2 4.14Å; I63-Y86 PolarHBondContact N-O 2.8Å; I63-Y86 PolarHBondContact O-N 3.21Å; Y86-V91 HydrophobicContact CD1-CG1 3.77Å; Y86-V91 HydrophobicContact CE1-CG1 4.31Å
87K97.4Very high95.7Very high57 Ų5771.5 Ų71.525%0.24840%0.399CS..BIsolated β-bridgetrans-79.2132.5174.7-166.771.7-176.7165.90109.9Q57 T59 D62 I84 G89 R90 V91Q57-K87 PolarHBondContact O-NZ 2.82Å; T59-K87 WeakPolarHBondContact OG1-CE 3.14Å; T59-K87 PolarHBondContact OG1-NZ 2.67Å; D62-K87 IonicContact OD1-NZ 3.99Å; D62-K87 WeakPolarHBondContact OD2-CD 3.49Å; D62-K87 IonicContact OD2-NZ 2.8Å; D62-K87 PolarHBondContact OD2-NZ 2.87Å; I84-K87 HydrophobicContact CD1-CD 4.49Å; I84-K87 HydrophobicContact CG2-CB 4.33Å; I84-K87 HydrophobicContact CG2-CD 4.02Å; K87-G89 PolarHBondContact O-N 2.72Å; K87-R90 HydrophobicContact CB-CB 4.33Å; K87-R90 HydrophobicContact CG-CB 4.36Å; K87-R90 CarbonylContact O-C 3.57Å; K87-R90 PolarHBondContact O-N 2.94Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å
88V96.6Very high95.6Very high77 Ų7772.7 Ų72.747%0.46740%0.403SS..THydrogen-bonded Turntrans-59.2126.117770.70000110.3T59 D62 R90T59-V88 WeakPolarHBondContact OG1-CG1 3.34Å; D62-V88 WeakPolarHBondContact OD1-CB 3.45Å; D62-V88 VanDerWaalsContact OD1-CG1 3.25Å; D62-V88 WeakPolarHBondContact OD1-CG1 3.46Å; D62-V88 PolarHBondContact OD1-N 2.79Å; V88-R90 PolarHBondContact O-N 2.87Å; V88-R90 VanDerWaalsContact O-N 3.16Å
89G94.8Very high95.5Very high79 Ų7971.2 Ų71.281%0.81441%0.405SS*.THydrogen-bonded Turntrans73.2-5.6179.600000116.3K87K87-G89 PolarHBondContact O-N 2.72Å
90R94.8Very high95.5Very high203 Ų20372.3 Ų72.377%0.76641%0.411SS*.BIsolated β-bridgetrans-135.160.7176.8-64-174.6-174.6-178.70.9109.7K87 V88K87-R90 HydrophobicContact CB-CB 4.33Å; K87-R90 HydrophobicContact CG-CB 4.36Å; K87-R90 CarbonylContact O-C 3.57Å; K87-R90 PolarHBondContact O-N 2.94Å; V88-R90 PolarHBondContact O-N 2.87Å; V88-R90 VanDerWaalsContact O-N 3.16Å
91V96.6Very high95.4Very high51 Ų5172.1 Ų72.131%0.30942%0.422SS..EExtended strand (participates in β ladder)trans-82.4130.4180178.70000108.5Y86 K87 S99 V100Y86-V91 HydrophobicContact CD1-CG1 3.77Å; Y86-V91 HydrophobicContact CE1-CG1 4.31Å; K87-V91 WeakPolarHBondContact O-CG2 3.5Å; V91-S99 WeakPolarHBondContact O-CA 3.3Å; V91-V100 PolarHBondContact O-N 3.02Å
92V95.8Very high95.1Very high69 Ų6974.5 Ų74.542%0.41845%0.454SS..EExtended strand (participates in β ladder)trans-109.5132.4174179.10000107.5G97 K98V92-G97 VanDerWaalsContact CG1-C 3.43Å; V92-G97 VanDerWaalsContact CG1-O 3.3Å; V92-G97 WeakPolarHBondContact CG1-O 3.46Å; V92-K98 WeakPolarHBondContact CA-O 3.46Å
93D94.8Very high94.8Very high32 Ų3278.2 Ų78.217%0.17147%0.474CS..  trans-68.9125174.8169.431000110L95 T96 G97 K98 V100 F105D93-L95 PolarHBondContact O-N 2.9Å; D93-L95 PolarHBondContact OD1-N 2.81Å; D93-L95 VanDerWaalsContact OD1-N 3.09Å; D93-T96 WeakPolarHBondContact CB-OG1 3.43Å; D93-T96 WeakPolarHBondContact OD2-CB 3.18Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.44Å; D93-T96 PolarHBondContact OD2-N 2.76Å; D93-T96 PolarHBondContact OD2-OG1 3.33Å; D93-G97 VanDerWaalsContact O-CA 3.32Å; D93-G97 WeakPolarHBondContact O-CA 3.41Å; D93-G97 PolarHBondContact O-N 2.86Å; D93-K98 PolarHBondContact N-O 2.88Å; D93-V100 HydrophobicContact CB-CG2 3.73Å; D93-F105 HydrophobicContact CB-CE1 4.09Å
94P94.2Very high94.7Very high100 Ų10079.5 Ų79.565%0.64948%0.48SS*.THydrogen-bonded Turntrans-65.2-19179.227-36.9000114
95L92.8Very high94.5Very high158 Ų15880.8 Ų80.883%0.82748%0.484SS*.THydrogen-bonded Turntrans-86-45.9-179.2-61-179.9000112.4D93D93-L95 PolarHBondContact O-N 2.9Å; D93-L95 PolarHBondContact OD1-N 2.81Å; D93-L95 VanDerWaalsContact OD1-N 3.09Å
96T91.7Very high94.2Very high57 Ų5783 Ų8335%0.3550%0.498SS..THydrogen-bonded Turntrans-99.4-18.1-17658.90000114.3D93 K98 F105D93-T96 WeakPolarHBondContact CB-OG1 3.43Å; D93-T96 WeakPolarHBondContact OD2-CB 3.18Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.44Å; D93-T96 PolarHBondContact OD2-N 2.76Å; D93-T96 PolarHBondContact OD2-OG1 3.33Å; T96-K98 PolarHBondContact O-N 2.86Å; T96-K98 PolarHBondContact OG1-N 2.81Å; T96-F105 HydrophobicContact CG2-CE1 4.36Å; T96-F105 HydrophobicContact CG2-CZ 4.11Å; T96-F105 VanDerWaalsContact OG1-CE1 3.25Å; T96-F105 WeakPolarHBondContact OG1-CE1 3.42Å
97G91.5Very high93.8Very high55 Ų5584.7 Ų84.757%0.56751%0.509SS*.  trans70.75.2-174.200000114.3V92 D93V92-G97 VanDerWaalsContact CG1-C 3.43Å; V92-G97 VanDerWaalsContact CG1-O 3.3Å; V92-G97 WeakPolarHBondContact CG1-O 3.46Å; D93-G97 VanDerWaalsContact O-CA 3.32Å; D93-G97 WeakPolarHBondContact O-CA 3.41Å; D93-G97 PolarHBondContact O-N 2.86Å
98K92.9Very high93.1Very high40 Ų4086.1 Ų86.117%0.17452%0.524CS..  trans-90.1154.1178.7-68.2-176.2175.5-165.60111.4V92 D93 T96 F105 L109V92-K98 WeakPolarHBondContact CA-O 3.46Å; D93-K98 PolarHBondContact N-O 2.88Å; T96-K98 PolarHBondContact O-N 2.86Å; T96-K98 PolarHBondContact OG1-N 2.81Å; K98-F105 HydrophobicContact CB-CD1 3.91Å; K98-F105 HydrophobicContact CB-CE1 4.23Å; K98-L109 HydrophobicContact CD-CD2 3.51Å
99S95.2Very high92Very high61 Ų6185.6 Ų85.643%0.42752%0.518SS..EExtended strand (participates in β ladder)trans-73.5139.5177.8-65.40000111.1V91 V106V91-S99 WeakPolarHBondContact O-CA 3.3Å; S99-V106 PolarHBondContact O-N 3.19Å
100V95.8Very high90.9Very high26 Ų2684.6 Ų84.616%0.15850%0.499CS..EExtended strand (participates in β ladder)trans-126.7138.1-176-176.60000111V91 D93 G102 E104 F105V91-V100 PolarHBondContact O-N 3.02Å; D93-V100 HydrophobicContact CB-CG2 3.73Å; V100-G102 VanDerWaalsContact CG1-O 3.26Å; V100-G102 WeakPolarHBondContact CG1-O 3.38Å; V100-E104 CarbonylContact C-O 3.59Å; V100-E104 WeakPolarHBondContact CA-O 3.15Å; V100-E104 VanDerWaalsContact CG1-O 3.25Å; V100-E104 WeakPolarHBondContact CG1-O 3.49Å; V100-F105 HydrophobicContact CG2-CD1 3.62Å; V100-F105 HydrophobicContact CG2-CE1 3.66Å
101A94.4Very high89.2Confident69 Ų6979.1 Ų79.157%0.5749%0.485SS*.EExtended strand (participates in β ladder)trans-108.991.7168.200000109.5T103 E104 V106A101-T103 PolarHBondContact O-N 3Å; A101-T103 VanDerWaalsContact O-N 3.11Å; A101-E104 PolarHBondContact N-O 2.85Å; A101-E104 PolarHBondContact O-N 2.84Å; A101-V106 HydrophobicContact CB-CG2 4.37Å
102G91.1Very high87.4Confident78 Ų7881.5 Ų81.580%0.80450%0.495SS*.THydrogen-bonded Turntrans71.1-106.3-177.900000111.8V100V100-G102 VanDerWaalsContact CG1-O 3.26Å; V100-G102 WeakPolarHBondContact CG1-O 3.38Å
103T92.2Very high85.5Confident139 Ų13982 Ų8285%0.85350%0.498SS*.THydrogen-bonded Turntrans-100.2-10.2178.344.10000113.5A101A101-T103 PolarHBondContact O-N 3Å; A101-T103 VanDerWaalsContact O-N 3.11Å
104E92.8Very high83.6Confident143 Ų14385.2 Ų85.267%0.66852%0.515SS*.EExtended strand (participates in β ladder)trans-108.9141.3-173.3-64.9176.1-172.600111.1V100 A101V100-E104 CarbonylContact C-O 3.59Å; V100-E104 WeakPolarHBondContact CA-O 3.15Å; V100-E104 VanDerWaalsContact CG1-O 3.25Å; V100-E104 WeakPolarHBondContact CG1-O 3.49Å; A101-E104 PolarHBondContact N-O 2.85Å; A101-E104 PolarHBondContact O-N 2.84Å
105F94.4Very high81.8Confident66 Ų6687.3 Ų87.329%0.28952%0.516SS..EExtended strand (participates in β ladder)trans-71.9139.5170.6-68.2-77.2000110.2D93 T96 K98 V100 E107 L109D93-F105 HydrophobicContact CB-CE1 4.09Å; T96-F105 HydrophobicContact CG2-CE1 4.36Å; T96-F105 HydrophobicContact CG2-CZ 4.11Å; T96-F105 VanDerWaalsContact OG1-CE1 3.25Å; T96-F105 WeakPolarHBondContact OG1-CE1 3.42Å; K98-F105 HydrophobicContact CB-CD1 3.91Å; K98-F105 HydrophobicContact CB-CE1 4.23Å; V100-F105 HydrophobicContact CG2-CD1 3.62Å; V100-F105 HydrophobicContact CG2-CE1 3.66Å; F105-E107 VanDerWaalsContact C-N 3.26Å; F105-E107 VanDerWaalsContact CB-O 3.22Å; F105-E107 WeakPolarHBondContact CB-O 3.41Å; F105-E107 PolarHBondContact O-N 3.18Å; F105-L109 HydrophobicContact CD1-CD2 4.37Å; F105-L109 HydrophobicContact CD2-CD1 3.99Å; F105-L109 HydrophobicContact CD2-CD2 4.08Å; F105-L109 HydrophobicContact CD2-CG 3.81Å; F105-L109 HydrophobicContact CE1-CD2 4.42Å; F105-L109 HydrophobicContact CE2-CD1 3.6Å; F105-L109 HydrophobicContact CE2-CD2 4.13Å; F105-L109 HydrophobicContact CE2-CG 3.92Å; F105-L109 HydrophobicContact CG-CD2 4.21Å; F105-L109 HydrophobicContact CG-CG 4.35Å; F105-L109 HydrophobicContact CZ-CD1 4.21Å; F105-L109 HydrophobicContact CZ-CD2 4.3Å
106V91.6Very high80.3Confident95 Ų9586.2 Ų86.258%0.57651%0.507SS*.SBendtrans-63.9-39174.4177.10000110.2S99 A101S99-V106 PolarHBondContact O-N 3.19Å; A101-V106 HydrophobicContact CB-CG2 4.37Å
107E87.9Confident78.7Confident124 Ų12487.8 Ų87.858%0.57951%0.513SS*.SBendtrans-112.6123.3173.6-69.3173.4-176.500108.9F105F105-E107 VanDerWaalsContact C-N 3.26Å; F105-E107 VanDerWaalsContact CB-O 3.22Å; F105-E107 WeakPolarHBondContact CB-O 3.41Å; F105-E107 PolarHBondContact O-N 3.18Å
108P82.6Confident77.2Confident87 Ų8789.7 Ų89.757%0.56551%0.509SS*.  trans-60.7146.9-178.224.4-32.4000111.3S110P108-S110 PolarHBondContact O-N 2.99Å; P108-S110 PolarHBondContact O-OG 3.37Å
109L74.6Confident76Confident65 Ų6590.2 Ų90.234%0.3452%0.518SS..THydrogen-bonded Turntrans-70.59.7-178.1-62.3-177.2000114.6K98 F105 D111 L112K98-L109 HydrophobicContact CD-CD2 3.51Å; F105-L109 HydrophobicContact CD1-CD2 4.37Å; F105-L109 HydrophobicContact CD2-CD1 3.99Å; F105-L109 HydrophobicContact CD2-CD2 4.08Å; F105-L109 HydrophobicContact CD2-CG 3.81Å; F105-L109 HydrophobicContact CE1-CD2 4.42Å; F105-L109 HydrophobicContact CE2-CD1 3.6Å; F105-L109 HydrophobicContact CE2-CD2 4.13Å; F105-L109 HydrophobicContact CE2-CG 3.92Å; F105-L109 HydrophobicContact CG-CD2 4.21Å; F105-L109 HydrophobicContact CG-CG 4.35Å; F105-L109 HydrophobicContact CZ-CD1 4.21Å; F105-L109 HydrophobicContact CZ-CD2 4.3Å; L109-D111 PolarHBondContact O-N 3.05Å; L109-D111 VanDerWaalsContact O-N 3.08Å; L109-L112 PolarHBondContact O-N 2.84Å
110S70.3Confident74.7Confident59 Ų5992 Ų9241%0.41352%0.522SS..Hα-helixtrans-55.2-28-176.228.90000114P108 L112 V113 L114P108-S110 PolarHBondContact O-N 2.99Å; P108-S110 PolarHBondContact O-OG 3.37Å; S110-L112 PolarHBondContact O-N 3.38Å; S110-V113 PolarHBondContact O-N 3.41Å; S110-L114 PolarHBondContact O-N 2.95Å
111D60.2Low73.7Confident88 Ų8893 Ų9347%0.47153%0.53SS..Hα-helixtrans-68.7-31.8-175.8-53.8-29.6000113.4L109 V113 L114 E115L109-D111 PolarHBondContact O-N 3.05Å; L109-D111 VanDerWaalsContact O-N 3.08Å; D111-V113 VanDerWaalsContact C-N 3.33Å; D111-V113 PolarHBondContact O-N 2.82Å; D111-L114 PolarHBondContact O-N 3.15Å; D111-E115 PolarHBondContact O-N 2.83Å
112L57.6Low72.8Confident100 Ų10093 Ų9352%0.52452%0.521SS..Hα-helixtrans-69.5-34.5177.3-67.1175.9000111.8L109 S110 L114 E116L109-L112 PolarHBondContact O-N 2.84Å; S110-L112 PolarHBondContact O-N 3.38Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L112-E116 PolarHBondContact O-N 2.92Å
113V56.9Low72.2Confident81 Ų8194.8 Ų94.849%0.49151%0.506SS..Hα-helixtrans-72.8-30.1179.2178.90000111S110 D111 N117S110-V113 PolarHBondContact O-N 3.41Å; D111-V113 VanDerWaalsContact C-N 3.33Å; D111-V113 PolarHBondContact O-N 2.82Å; V113-N117 WeakPolarHBondContact CG1-ND2 3.44Å; V113-N117 WeakPolarHBondContact O-CB 3.47Å; V113-N117 PolarHBondContact O-N 3Å; V113-N117 PolarHBondContact O-ND2 3.47Å
114L55.7Low71.4Confident98 Ų9893.9 Ų93.951%0.51350%0.495SS..Hα-helixtrans-72.4-41.4177.9-68.9173.7000112S110 D111 L112 E116 N117 I118S110-L114 PolarHBondContact O-N 2.95Å; D111-L114 PolarHBondContact O-N 3.15Å; L112-L114 VanDerWaalsContact C-N 3.34Å; L114-E116 PolarHBondContact O-N 2.83Å; L114-N117 PolarHBondContact O-N 3.22Å; L114-I118 WeakPolarHBondContact O-CB 3.43Å; L114-I118 VanDerWaalsContact O-CD1 3.3Å; L114-I118 WeakPolarHBondContact O-CD1 3.41Å; L114-I118 WeakPolarHBondContact O-CG1 3.48Å; L114-I118 PolarHBondContact O-N 2.87Å
115E56.6Low70.6Confident145 Ų14593.6 Ų93.668%0.67849%0.492SS*.Hα-helixtrans-64.8-40178.1-68-163.1175.800112.7D111 S119D111-E115 PolarHBondContact O-N 2.83Å; E115-S119 WeakPolarHBondContact O-CB 3.25Å; E115-S119 PolarHBondContact O-N 3.21Å; E115-S119 VanDerWaalsContact O-N 3.09Å
116E59.4Low69.4Low135 Ų13597.5 Ų97.563%0.63151%0.511SS*.Hα-helixtrans-64.2-43.9175.1-72-176.3168.300111.8L112 L114 S119 L120L112-E116 PolarHBondContact O-N 2.92Å; L114-E116 PolarHBondContact O-N 2.83Å; E116-S119 PolarHBondContact O-N 2.94Å; E116-L120 WeakPolarHBondContact O-CG 3.45Å; E116-L120 PolarHBondContact O-N 2.8Å
117N58.5Low68.3Low89 Ų8999.5 Ų99.548%0.47652%0.518SS..Hα-helixtrans-68-38.2-179.4-75.1-34.4000112.9V113 L114 L120 S121V113-N117 WeakPolarHBondContact CG1-ND2 3.44Å; V113-N117 WeakPolarHBondContact O-CB 3.47Å; V113-N117 PolarHBondContact O-N 3Å; V113-N117 PolarHBondContact O-ND2 3.47Å; L114-N117 PolarHBondContact O-N 3.22Å; N117-L120 PolarHBondContact O-N 2.82Å; N117-S121 WeakPolarHBondContact O-CB 3.15Å; N117-S121 PolarHBondContact O-N 3.42Å; N117-S121 PolarHBondContact O-OG 3.46Å
118I60.5Low67.2Low95 Ų95100.4 Ų100.449%0.48753%0.527SS..Hα-helixtrans-63.6-47.6175.5-66.2160.7000109.3L114 L120 S121 D122L114-I118 WeakPolarHBondContact O-CB 3.43Å; L114-I118 VanDerWaalsContact O-CD1 3.3Å; L114-I118 WeakPolarHBondContact O-CD1 3.41Å; L114-I118 WeakPolarHBondContact O-CG1 3.48Å; L114-I118 PolarHBondContact O-N 2.87Å; I118-L120 PolarHBondContact O-N 2.92Å; I118-S121 PolarHBondContact O-N 2.74Å; I118-S121 PolarHBondContact O-OG 2.98Å; I118-D122 WeakPolarHBondContact CG2-OD2 3.29Å; I118-D122 PolarHBondContact O-N 2.92Å
119S66.8Low65.9Low52 Ų52103 Ų10336%0.36453%0.534SS..Hα-helixtrans-58.2-42.4177.9-174.20000113.4E115 E116 K123E115-S119 WeakPolarHBondContact O-CB 3.25Å; E115-S119 PolarHBondContact O-N 3.21Å; E115-S119 VanDerWaalsContact O-N 3.09Å; E116-S119 PolarHBondContact O-N 2.94Å; S119-K123 WeakPolarHBondContact O-CB 3.33Å; S119-K123 VanDerWaalsContact O-CG 3.27Å; S119-K123 WeakPolarHBondContact O-CG 3.35Å; S119-K123 PolarHBondContact O-N 2.95Å; S119-K123 VanDerWaalsContact O-N 3.12Å
120L69.1Low64.9Low99 Ų99105.4 Ų105.452%0.51856%0.557SS.*Hα-helixtrans-70.1-39.2178-66.9-177.8000112E116 N117 I118 D122 K123 L124E116-L120 WeakPolarHBondContact O-CG 3.45Å; E116-L120 PolarHBondContact O-N 2.8Å; N117-L120 PolarHBondContact O-N 2.82Å; I118-L120 PolarHBondContact O-N 2.92Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3Å; L120-K123 PolarHBondContact O-N 2.95Å; L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.05Å; L120-L124 PolarHBondContact O-N 3.47Å
121S74.1Confident64Low47 Ų47107.4 Ų107.433%0.32958%0.577SS.*Hα-helixtrans-66.8-35.4178.572.40000112.7N117 I118 L124 K125N117-S121 WeakPolarHBondContact O-CB 3.15Å; N117-S121 PolarHBondContact O-N 3.42Å; N117-S121 PolarHBondContact O-OG 3.46Å; I118-S121 PolarHBondContact O-N 2.74Å; I118-S121 PolarHBondContact O-OG 2.98Å; S121-L124 PolarHBondContact O-N 3.24Å; S121-K125 WeakPolarHBondContact O-CG 3.29Å; S121-K125 PolarHBondContact O-N 2.85Å
122D75.6Confident63.2Low68 Ų68107.5 Ų107.536%0.36459%0.59SS.*Hα-helixtrans-74.8-39.2177.5-66.9-26.2000111.7I118 L120 L124 K125 E126I118-D122 WeakPolarHBondContact CG2-OD2 3.29Å; I118-D122 PolarHBondContact O-N 2.92Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-D122 PolarHBondContact O-N 3Å; D122-L124 VanDerWaalsContact C-N 3.3Å; D122-L124 PolarHBondContact O-N 3.23Å; D122-K125 PolarHBondContact O-N 3.48Å; D122-K125 IonicContact OD1-NZ 2.82Å; D122-K125 PolarHBondContact OD1-NZ 3.49Å; D122-E126 PolarHBondContact O-N 3.33Å
123K77.9Confident62.7Low116 Ų116108 Ų10850%0.50460%0.602SS.*Hα-helixtrans-59.5-37.9170.2-74.5172.5-176.1173.50112.8S119 L120 E126 L127S119-K123 WeakPolarHBondContact O-CB 3.33Å; S119-K123 VanDerWaalsContact O-CG 3.27Å; S119-K123 WeakPolarHBondContact O-CG 3.35Å; S119-K123 PolarHBondContact O-N 2.95Å; S119-K123 VanDerWaalsContact O-N 3.12Å; L120-K123 PolarHBondContact O-N 2.95Å; K123-E126 PolarHBondContact O-N 3.12Å; K123-L127 WeakPolarHBondContact O-CG 3.28Å; K123-L127 PolarHBondContact O-N 3.31Å
124L75.4Confident62Low119 Ų119110.2 Ų110.262%0.62362%0.621SS**Hα-helixtrans-69.9-32.1177.2-74.5170.2000112.8L120 S121 D122 L127L120-L124 VanDerWaalsContact O-CG 3.29Å; L120-L124 WeakPolarHBondContact O-CG 3.05Å; L120-L124 PolarHBondContact O-N 3.47Å; S121-L124 PolarHBondContact O-N 3.24Å; D122-L124 VanDerWaalsContact C-N 3.3Å; D122-L124 PolarHBondContact O-N 3.23Å; L124-L127 HydrophobicContact CD2-CD1 4.5Å; L124-L127 PolarHBondContact O-N 3.33Å
125K75.9Confident61.5Low138 Ų138110.4 Ų110.460%0.664%0.637SS**Hα-helixtrans-69-37.7175.2-69.6166.9-163.21570111.9S121 D122 L127 N128S121-K125 WeakPolarHBondContact O-CG 3.29Å; S121-K125 PolarHBondContact O-N 2.85Å; D122-K125 PolarHBondContact O-N 3.48Å; D122-K125 IonicContact OD1-NZ 2.82Å; D122-K125 PolarHBondContact OD1-NZ 3.49Å; K125-L127 VanDerWaalsContact C-N 3.27Å; K125-L127 PolarHBondContact O-N 3.4Å; K125-N128 PolarHBondContact O-N 3.16Å
126E70.5Confident60.9Low148 Ų148108.3 Ų108.369%0.69264%0.644SS**Hα-helixtrans-65.5-29.3177-70.4178178.400112.9D122 K123 N128D122-E126 PolarHBondContact O-N 3.33Å; K123-E126 PolarHBondContact O-N 3.12Å; E126-N128 VanDerWaalsContact C-N 3.31Å; E126-N128 PolarHBondContact O-N 3.03Å
127L67.6Low59.9Low136 Ų136109 Ų10971%0.71265%0.652SS**THydrogen-bonded Turntrans-77.4-12179.3-68.1169.5000114K123 L124 K125 I129K123-L127 WeakPolarHBondContact O-CG 3.28Å; K123-L127 PolarHBondContact O-N 3.31Å; L124-L127 HydrophobicContact CD2-CD1 4.5Å; L124-L127 PolarHBondContact O-N 3.33Å; K125-L127 VanDerWaalsContact C-N 3.27Å; K125-L127 PolarHBondContact O-N 3.4Å; L127-I129 PolarHBondContact O-N 3.16Å
128N64.5Low58.9Low144 Ų144109.3 Ų109.377%0.7766%0.661SS**THydrogen-bonded Turntrans-84.816.8-175.4-130.829000114.2K125 E126K125-N128 PolarHBondContact O-N 3.16Å; E126-N128 VanDerWaalsContact C-N 3.31Å; E126-N128 PolarHBondContact O-N 3.03Å
129I57.2Low58.4Low140 Ų140110.1 Ų110.172%0.71867%0.672SS**  trans-90.5112.2169.1-57.6169.2000107.3L127L127-I129 PolarHBondContact O-N 3.16Å
130S53.2Low57.9Low116 Ų116113 Ų11381%0.81169%0.693SS**  trans118.141.9167.8-44.20000117
131A50Low56.7Low102 Ų102115 Ų11584%0.84371%0.709SS**  trans-117.555.8152.100000109.7
132A43.3Very low55.5Low89 Ų89121.5 Ų121.574%0.73673%0.734SS**  trans-86.7116.9165.800000109.3
133S49Very low54.2Low112 Ų112124.7 Ų124.778%0.78376%0.756SS**  trans48.4108.614762.40000119.6
134S40.4Very low52.9Low126 Ų126125.1 Ų125.188%0.88177%0.771SS**  trans-135.9105.7133.253.20000109.8
135A46.4Very low51.4Low103 Ų103125.8 Ų125.885%0.85178%0.78SS**  trans-81.9131.3164.900000109.3
136A42.9Very low50.4Low100 Ų100128.3 Ų128.383%0.82682%0.815SS**  trans166138.5159.700000106.2
137D38.9Very low49.3Very low150 Ų150127.4 Ų127.480%0.80282%0.821SS**  cis-165.61611.1-168.1-6.9000105.9
138S38.6Very low48.4Very low95 Ų95126.9 Ų126.966%0.66483%0.827SS**  trans-53.9-178.5-178.462.80000117.4
139P48.4Very low47.5Very low112 Ų112125.9 Ų125.973%0.72783%0.83SS**  cis-139.4177.99.938.4-15.9000117.9
140S57.1Low46.9Very low114 Ų114125.1 Ų125.180%0.79784%0.837SS**  trans-69.8140175.744.60000114
141V43.8Very low46.5Very low141 Ų141125.7 Ų125.786%0.85584%0.838SS**  trans-124.6125.4167.2175.60000109.3
142Q49.8Very low46.3Very low182 Ų182127.3 Ų127.385%0.8584%0.838SS**PPolyproline II helixtrans-74.2143.9-178.9-62.4170.9-14.100111.5
143T46.5Very low46.5Very low136 Ų136130 Ų13083%0.83485%0.845SS**PPolyproline II helixtrans-89.9135.2165.730.80000110.5
144P50.5Low46.3Very low124 Ų124131.4 Ų131.481%0.80585%0.85SS**PPolyproline II helixtrans-87.2133.4169.332.7-27.8000110.4
145T45.4Very low46.8Very low133 Ų133131.8 Ų131.882%0.81685%0.848SS**PPolyproline II helixtrans-71.2136.5167.8-25.80000110.2
146S53.5Low46.9Very low192 Ų192134.5 Ų134.5100%1.34385%0.847SS**  trans-157.20148.2-67.90000108.4

Retrieved 146 of 146 residues in 96.7 ms (Link to these results)