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Spermidine/putrescine import ATP-binding protein PotA

Part of the ABC transporter complex PotABCD involved in spermidine/putrescine import. Responsible for energy coupling to the transport system.

AlphaFold DB (Q2G2A7), UniProt , Accession Q99V03, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene potA, Length 364 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
1M62Low92.6Very high193 Ų19350.7 Ų50.795%0.95126%0.26SS*.  0157.90-162.4172.3-84.100106.4
2E84.1Confident92.9Very high141 Ų14148.3 Ų48.366%0.65925%0.246SC*.  trans-75.3135.9174.5-73.4-177.2155.700109.5N65E2-N65 VanDerWaalsContact CD-ND2 3.3Å; E2-N65 PolarHBondContact OE2-ND2 3.18Å
3P93.2Very high93.1Very high30 Ų3047.9 Ų47.920%0.19525%0.251CS..  trans-63.4143.6-179.225.3-33.5000111.3S6 D26P3-S6 WeakPolarHBondContact CG-OG 3.26Å; P3-D26 HydrophobicContact CB-CB 4.13Å
4L96.6Very high93.1Very high16 Ų1649.9 Ų49.98%0.08425%0.254CS..SBendtrans-68.4-42174.5176.365.8000110.6I27 Y63 Q64 I155 T187L4-I27 WeakPolarHBondContact CB-O 3.32Å; L4-I27 PolarHBondContact N-O 3.43Å; L4-Y63 HydrophobicContact CD1-CE2 3.85Å; L4-Y63 HydrophobicContact CG-CE2 4.11Å; L4-Y63 WeakPolarHBondContact O-CA 3.44Å; L4-Y63 WeakPolarHBondContact O-CD2 3.41Å; L4-Q64 HydrophobicContact CD1-CG 3.83Å; L4-Q64 PolarHBondContact O-N 2.69Å; L4-I155 HydrophobicContact CD2-CD1 4.02Å; L4-I155 HydrophobicContact CD2-CG1 3.74Å; L4-I155 HydrophobicContact CG-CD1 4.26Å; L4-I155 HydrophobicContact CG-CG1 4.47Å; L4-T187 WeakPolarHBondContact CD2-OG1 3.3Å
5L97.8Very high92.8Very high1 Ų157.7 Ų57.71%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-137134.8-179.8176.176.2000108.8I27 I50 V61 I62 I68 I155 I189L5-I27 HydrophobicContact CB-CB 4.24Å; L5-I27 HydrophobicContact CB-CG2 4.41Å; L5-I27 HydrophobicContact CD2-CD1 4.2Å; L5-I27 PolarHBondContact N-O 2.9Å; L5-I27 PolarHBondContact O-N 2.52Å; L5-I50 HydrophobicContact CD1-CG2 4.36Å; L5-I50 HydrophobicContact CD2-CB 4.48Å; L5-I50 HydrophobicContact CD2-CD1 3.89Å; L5-I50 HydrophobicContact CD2-CG1 3.99Å; L5-I50 HydrophobicContact CD2-CG2 3.63Å; L5-V61 HydrophobicContact CD1-CG1 4.14Å; L5-I62 CarbonylContact C-O 3.56Å; L5-I62 WeakPolarHBondContact CA-O 3.45Å; L5-I62 WeakPolarHBondContact CD1-O 3.29Å; L5-I68 HydrophobicContact CD1-CD1 4.4Å; L5-I155 HydrophobicContact CB-CD1 3.88Å; L5-I155 HydrophobicContact CD2-CD1 4.01Å; L5-I155 HydrophobicContact CG-CD1 4.39Å; L5-I189 HydrophobicContact CD2-CD1 3.8Å
6S97.9Very high92.4Very high4 Ų464.8 Ų64.83%0.02834%0.336CS..EExtended strand (participates in β ladder)trans-130.4139.4172.3-53.40000111.2P3 I25 D26 I62P3-S6 WeakPolarHBondContact CG-OG 3.26Å; S6-I25 CarbonylContact C-O 3.55Å; S6-I25 WeakPolarHBondContact CA-O 3.43Å; S6-D26 WeakPolarHBondContact CB-OD1 3.25Å; S6-D26 PolarHBondContact OG-OD1 3.24Å; S6-I62 PolarHBondContact N-O 3.42Å; S6-I62 PolarHBondContact O-N 3.12Å
7L98.1Very high92.3Very high1 Ų167.7 Ų67.71%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-103.3127.5156.8-78.165.9000106.1V10 I23 D24 I25 I46 I50 E60 V61L7-V10 HydrophobicContact CB-CB 4.22Å; L7-V10 HydrophobicContact CB-CG2 3.77Å; L7-V10 HydrophobicContact CD2-CB 4.31Å; L7-V10 HydrophobicContact CD2-CG1 4.3Å; L7-V10 HydrophobicContact CD2-CG2 4.38Å; L7-V10 HydrophobicContact CG-CB 4.48Å; L7-V10 HydrophobicContact CG-CG2 4.04Å; L7-I23 HydrophobicContact CD2-CG2 4.24Å; L7-D24 VanDerWaalsContact O-CA 3.31Å; L7-D24 WeakPolarHBondContact O-CA 3.49Å; L7-I25 HydrophobicContact CB-CB 4.21Å; L7-I25 HydrophobicContact CD2-CD1 4.49Å; L7-I25 PolarHBondContact N-O 3.06Å; L7-I25 PolarHBondContact O-N 3.47Å; L7-I46 HydrophobicContact CD2-CG2 3.97Å; L7-I50 HydrophobicContact CD1-CD1 4.24Å; L7-I50 HydrophobicContact CD1-CG1 3.93Å; L7-E60 WeakPolarHBondContact CA-O 3.4Å; L7-V61 HydrophobicContact CD1-CG1 4.38Å; L7-V61 HydrophobicContact CG-CG2 4.44Å
8K97.1Very high92.3Very high100 Ų10067.8 Ų67.844%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-119.9115179.1-63.4-166.5179.6-174.60110.6V10 D24 G59 E60 I62K8-V10 PolarHBondContact O-N 3.31Å; K8-D24 VanDerWaalsContact CA-OD1 3.26Å; K8-D24 WeakPolarHBondContact CA-OD1 3.46Å; K8-G59 CarbonylContact O-C 3.59Å; K8-G59 WeakPolarHBondContact O-CA 3.46Å; K8-E60 PolarHBondContact N-O 3.26Å; K8-E60 PolarHBondContact O-N 2.88Å; K8-I62 HydrophobicContact CD-CD1 3.65Å; K8-I62 HydrophobicContact CG-CD1 4.09Å
9S97.1Very high92.5Very high53 Ų5365.9 Ų65.937%0.37134%0.342SS..EExtended strand (participates in β ladder)trans4940.8-179.2-59.10000113.6S11 D22 I23 D24 G59S9-S11 PolarHBondContact O-N 3.45Å; S9-D22 WeakPolarHBondContact CA-OD1 3.35Å; S9-D22 WeakPolarHBondContact CB-OD1 3.41Å; S9-D22 PolarHBondContact OG-OD1 3.46Å; S9-D22 VanDerWaalsContact OG-OD1 3.1Å; S9-I23 PolarHBondContact N-O 3.01Å; S9-D24 PolarHBondContact N-OD1 3.38Å; S9-G59 VanDerWaalsContact O-CA 3.24Å; S9-G59 WeakPolarHBondContact O-CA 3.49Å
10V97.5Very high92.7Very high0 Ų062.7 Ų62.70%033%0.325CS..EExtended strand (participates in β ladder)trans-79.3121.3-172.6168.60000110.4L7 K8 I23 L49 P56 S58 E60 V61L7-V10 HydrophobicContact CB-CB 4.22Å; L7-V10 HydrophobicContact CB-CG2 3.77Å; L7-V10 HydrophobicContact CD2-CB 4.31Å; L7-V10 HydrophobicContact CD2-CG1 4.3Å; L7-V10 HydrophobicContact CD2-CG2 4.38Å; L7-V10 HydrophobicContact CG-CB 4.48Å; L7-V10 HydrophobicContact CG-CG2 4.04Å; K8-V10 PolarHBondContact O-N 3.31Å; V10-I23 HydrophobicContact CB-CB 4.46Å; V10-I23 PolarHBondContact N-O 2.94Å; V10-I23 WeakPolarHBondContact O-CB 3.44Å; V10-I23 PolarHBondContact O-N 3.11Å; V10-L49 HydrophobicContact CG1-CD1 3.8Å; V10-P56 HydrophobicContact CG1-CB 3.96Å; V10-S58 WeakPolarHBondContact CA-O 3.44Å; V10-E60 WeakPolarHBondContact CG2-O 3.4Å; V10-V61 HydrophobicContact CG2-CG2 4.4Å
11S97.3Very high92.8Very high19 Ų1962.5 Ų62.513%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-118.8148.2172.8-52.50000111.8S9 L20 D22 D57 S58S9-S11 PolarHBondContact O-N 3.45Å; S11-L20 CarbonylContact C-O 3.53Å; S11-L20 WeakPolarHBondContact CA-O 3.39Å; S11-L20 WeakPolarHBondContact CB-O 3.19Å; S11-D22 PolarHBondContact OG-N 3.13Å; S11-D57 PolarHBondContact O-N 3.17Å; S11-S58 WeakPolarHBondContact CB-OG 3.32Å; S11-S58 PolarHBondContact N-O 3.39Å; S11-S58 VanDerWaalsContact N-O 3.14Å; S11-S58 PolarHBondContact OG-OG 3.07Å
12K96.3Very high94.4Very high21 Ų2157.8 Ų57.89%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-149127.9178.4-173.661.9-177.4175.10111.9Y14 N18 I19 L20 T45 L49 Y55 D57K12-Y14 HydrophobicContact CG-CE2 3.85Å; K12-N18 PolarHBondContact O-OD1 3.11Å; K12-I19 WeakPolarHBondContact O-CA 3.5Å; K12-I19 WeakPolarHBondContact O-CB 3.44Å; K12-I19 PolarHBondContact O-N 3.11Å; K12-L20 HydrophobicContact CB-CB 4.18Å; K12-L20 HydrophobicContact CB-CD1 4.12Å; K12-L20 HydrophobicContact CB-CG 4.31Å; K12-L20 PolarHBondContact N-O 2.85Å; K12-L20 PolarHBondContact O-N 3.28Å; K12-T45 HydrophobicContact CB-CG2 4.12Å; K12-T45 HydrophobicContact CG-CG2 3.78Å; K12-L49 HydrophobicContact CB-CD1 4.33Å; K12-Y55 WeakPolarHBondContact CD-O 3.48Å; K12-Y55 WeakPolarHBondContact CE-O 3.38Å; K12-Y55 PolarHBondContact NZ-O 3.22Å; K12-D57 WeakPolarHBondContact CA-OD2 3.25Å; K12-D57 IonicContact NZ-OD1 3.65Å; K12-D57 PolarHBondContact NZ-OD1 2.66Å
13S95Very high95Very high44 Ų4451.1 Ų51.131%0.30827%0.273SS..EExtended strand (participates in β ladder)trans-119.8153.1175.6-62.90000111.7L17 N18 D57S13-L17 CarbonylContact C-O 3.59Å; S13-L17 WeakPolarHBondContact CA-O 3.02Å; S13-N18 WeakPolarHBondContact OG-CA 3.32Å; S13-N18 PolarHBondContact OG-OD1 2.95Å; S13-D57 PolarHBondContact N-OD2 3.32Å
14Y92.9Very high95.2Very high75 Ų7553.9 Ų53.929%0.29429%0.285SS..EExtended strand (participates in β ladder)trans-132.6130.3168.4-61.8-94.7000108.4K12 D16 L17 I19 T45 E54K12-Y14 HydrophobicContact CG-CE2 3.85Å; Y14-D16 VanDerWaalsContact C-N 3.26Å; Y14-D16 PolarHBondContact O-N 3.01Å; Y14-L17 PolarHBondContact N-O 2.77Å; Y14-L17 WeakPolarHBondContact O-CB 3.35Å; Y14-L17 PolarHBondContact O-N 3.43Å; Y14-I19 HydrophobicContact CD2-CB 4.29Å; Y14-I19 HydrophobicContact CD2-CG1 3.58Å; Y14-I19 HydrophobicContact CE2-CB 4.43Å; Y14-I19 HydrophobicContact CE2-CG1 4.12Å; Y14-T45 HydrophobicContact CE2-CG2 4Å; Y14-E54 WeakPolarHBondContact OH-CG 3.17Å
15D89.9Confident95.2Very high168 Ų16853.2 Ų53.290%0.89828%0.282SS*.THydrogen-bonded Turntrans46.847.4178.5-58.1-35.6000113.3L17D15-L17 PolarHBondContact O-N 2.9Å; D15-L17 VanDerWaalsContact O-N 3.14Å
16D85.4Confident95.2Very high171 Ų17157.3 Ų57.391%0.91430%0.304SS*.THydrogen-bonded Turntrans65.70.8-176.3-55.1-43.8000116.4Y14Y14-D16 VanDerWaalsContact C-N 3.26Å; Y14-D16 PolarHBondContact O-N 3.01Å
17L90.9Very high95.1Very high114 Ų11457.2 Ų57.260%0.59730%0.303SS*.EExtended strand (participates in β ladder)trans-88.3116.3171.9-176.565.4000110.1S13 Y14 D15 I19S13-L17 CarbonylContact C-O 3.59Å; S13-L17 WeakPolarHBondContact CA-O 3.02Å; Y14-L17 PolarHBondContact N-O 2.77Å; Y14-L17 WeakPolarHBondContact O-CB 3.35Å; Y14-L17 PolarHBondContact O-N 3.43Å; D15-L17 PolarHBondContact O-N 2.9Å; D15-L17 VanDerWaalsContact O-N 3.14Å; L17-I19 HydrophobicContact CD2-CD1 3.78Å; L17-I19 HydrophobicContact CG-CD1 3.92Å; L17-I19 PolarHBondContact O-N 3.21Å
18N92Very high95.1Very high70 Ų7060.3 Ų60.337%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-72117.7174.7-161.117.2000110.2K12 S13 L20 D21K12-N18 PolarHBondContact O-OD1 3.11Å; S13-N18 WeakPolarHBondContact OG-CA 3.32Å; S13-N18 PolarHBondContact OG-OD1 2.95Å; N18-L20 PolarHBondContact OD1-O 3.33Å; N18-D21 WeakPolarHBondContact ND2-CB 3.39Å; N18-D21 PolarHBondContact ND2-OD1 3.33Å
19I96.3Very high95Very high32 Ų3258.9 Ų58.916%0.16432%0.32CS..EExtended strand (participates in β ladder)trans-99.4-32.8-179.2-62.6-55.9000111.6K12 Y14 L17 T45 G211K12-I19 WeakPolarHBondContact O-CA 3.5Å; K12-I19 WeakPolarHBondContact O-CB 3.44Å; K12-I19 PolarHBondContact O-N 3.11Å; Y14-I19 HydrophobicContact CD2-CB 4.29Å; Y14-I19 HydrophobicContact CD2-CG1 3.58Å; Y14-I19 HydrophobicContact CE2-CB 4.43Å; Y14-I19 HydrophobicContact CE2-CG1 4.12Å; L17-I19 HydrophobicContact CD2-CD1 3.78Å; L17-I19 HydrophobicContact CG-CD1 3.92Å; L17-I19 PolarHBondContact O-N 3.21Å; I19-T45 HydrophobicContact CG2-CG2 4.29Å; I19-G211 WeakPolarHBondContact O-CA 3.31Å
20L97Very high94.9Very high0 Ų057.6 Ų57.60%032%0.316CS..EExtended strand (participates in β ladder)trans-133128.6175.7-59.8178.1000108.5S11 K12 N18 I23 T45 I46 L49S11-L20 CarbonylContact C-O 3.53Å; S11-L20 WeakPolarHBondContact CA-O 3.39Å; S11-L20 WeakPolarHBondContact CB-O 3.19Å; K12-L20 HydrophobicContact CB-CB 4.18Å; K12-L20 HydrophobicContact CB-CD1 4.12Å; K12-L20 HydrophobicContact CB-CG 4.31Å; K12-L20 PolarHBondContact N-O 2.85Å; K12-L20 PolarHBondContact O-N 3.28Å; N18-L20 PolarHBondContact OD1-O 3.33Å; L20-I23 HydrophobicContact CB-CG1 3.93Å; L20-I23 HydrophobicContact CD2-CG1 4.13Å; L20-I23 HydrophobicContact CG-CG1 4.46Å; L20-T45 HydrophobicContact CD1-CG2 3.7Å; L20-T45 HydrophobicContact CG-CG2 4.14Å; L20-I46 HydrophobicContact CD1-CG1 3.64Å; L20-I46 HydrophobicContact CD2-CD1 3.96Å; L20-I46 HydrophobicContact CD2-CG1 3.71Å; L20-I46 HydrophobicContact CG-CG1 4.36Å; L20-L49 HydrophobicContact CD1-CD1 3.45Å; L20-L49 VanDerWaalsContact CD1-CD1 3.45Å
21D94.5Very high94.9Very high60 Ų6062 Ų6232%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-124.6101-176-170.637.4000110N18 G211 K212N18-D21 WeakPolarHBondContact ND2-CB 3.39Å; N18-D21 PolarHBondContact ND2-OD1 3.33Å; D21-G211 PolarHBondContact N-O 2.83Å; D21-K212 HydrophobicContact CB-CG 4.43Å; D21-K212 WeakPolarHBondContact OD2-CE 3.46Å; D21-K212 IonicContact OD2-NZ 3.04Å; D21-K212 PolarHBondContact OD2-NZ 3.04Å
22D95.2Very high94.9Very high93 Ų9361 Ų6150%0.49733%0.326SS..EExtended strand (participates in β ladder)trans5854.2174.6-155.123.3000112.8S9 S11 D24S9-D22 WeakPolarHBondContact CA-OD1 3.35Å; S9-D22 WeakPolarHBondContact CB-OD1 3.41Å; S9-D22 PolarHBondContact OG-OD1 3.46Å; S9-D22 VanDerWaalsContact OG-OD1 3.1Å; S11-D22 PolarHBondContact OG-N 3.13Å; D22-D24 PolarHBondContact O-N 2.65Å
23I96.9Very high95Very high2 Ų260.3 Ų60.31%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-80.4120.1-178.9-64.9-62.6000110.9L7 S9 V10 L20 I25 I46 G211 I213L7-I23 HydrophobicContact CD2-CG2 4.24Å; S9-I23 PolarHBondContact N-O 3.01Å; V10-I23 HydrophobicContact CB-CB 4.46Å; V10-I23 PolarHBondContact N-O 2.94Å; V10-I23 WeakPolarHBondContact O-CB 3.44Å; V10-I23 PolarHBondContact O-N 3.11Å; L20-I23 HydrophobicContact CB-CG1 3.93Å; L20-I23 HydrophobicContact CD2-CG1 4.13Å; L20-I23 HydrophobicContact CG-CG1 4.46Å; I23-I25 HydrophobicContact CG2-CD1 3.79Å; I23-I25 HydrophobicContact CG2-CG1 3.81Å; I23-I46 HydrophobicContact CG2-CD1 4.36Å; I23-G211 WeakPolarHBondContact CD1-O 3.49Å; I23-I213 HydrophobicContact CD1-CG1 4.27Å; I23-I213 HydrophobicContact CG2-CD1 4.16Å
24D96.6Very high95.2Very high87 Ų8758.2 Ų58.247%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-107.5123.5167.4-70.5-61.7000110.5L7 K8 S9 D22 I213L7-D24 VanDerWaalsContact O-CA 3.31Å; L7-D24 WeakPolarHBondContact O-CA 3.49Å; K8-D24 VanDerWaalsContact CA-OD1 3.26Å; K8-D24 WeakPolarHBondContact CA-OD1 3.46Å; S9-D24 PolarHBondContact N-OD1 3.38Å; D22-D24 PolarHBondContact O-N 2.65Å; D24-I213 WeakPolarHBondContact O-CD1 3.46Å
25I97.3Very high95.4Very high3 Ų354.7 Ų54.72%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-138.9129.4177.3-70.5177.3000107.7S6 L7 I23 I27 L35 I46 F206 I213S6-I25 CarbonylContact C-O 3.55Å; S6-I25 WeakPolarHBondContact CA-O 3.43Å; L7-I25 HydrophobicContact CB-CB 4.21Å; L7-I25 HydrophobicContact CD2-CD1 4.49Å; L7-I25 PolarHBondContact N-O 3.06Å; L7-I25 PolarHBondContact O-N 3.47Å; I23-I25 HydrophobicContact CG2-CD1 3.79Å; I23-I25 HydrophobicContact CG2-CG1 3.81Å; I25-I27 HydrophobicContact CG2-CD1 3.75Å; I25-I27 HydrophobicContact CG2-CG1 3.74Å; I25-L35 HydrophobicContact CD1-CD2 4.14Å; I25-I46 HydrophobicContact CD1-CD1 4.19Å; I25-I46 HydrophobicContact CD1-CG2 4.06Å; I25-F206 HydrophobicContact CB-CE1 4.47Å; I25-F206 HydrophobicContact CB-CZ 4.41Å; I25-F206 HydrophobicContact CG1-CD1 4.33Å; I25-F206 HydrophobicContact CG1-CE1 4.12Å; I25-F206 HydrophobicContact CG1-CZ 4.41Å; I25-F206 HydrophobicContact CG2-CE1 4.22Å; I25-F206 HydrophobicContact CG2-CE2 3.99Å; I25-F206 HydrophobicContact CG2-CZ 3.69Å; I25-I213 HydrophobicContact CD1-CD1 4.13Å; I25-I213 HydrophobicContact CG1-CD1 3.53Å
26D97.3Very high95.7Very high87 Ų8746.7 Ų46.747%0.46525%0.252SS..EExtended strand (participates in β ladder)trans-116.7132167.6-81.2-28.5000110.2P3 S6P3-D26 HydrophobicContact CB-CB 4.13Å; S6-D26 WeakPolarHBondContact CB-OD1 3.25Å; S6-D26 PolarHBondContact OG-OD1 3.24Å
27I97.5Very high96.2Very high1 Ų138.6 Ų38.61%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-127.4120.6-176.1-76.8174.4000109.1L4 L5 I25 Y33 T187 I189 F206L4-I27 WeakPolarHBondContact CB-O 3.32Å; L4-I27 PolarHBondContact N-O 3.43Å; L5-I27 HydrophobicContact CB-CB 4.24Å; L5-I27 HydrophobicContact CB-CG2 4.41Å; L5-I27 HydrophobicContact CD2-CD1 4.2Å; L5-I27 PolarHBondContact N-O 2.9Å; L5-I27 PolarHBondContact O-N 2.52Å; I25-I27 HydrophobicContact CG2-CD1 3.75Å; I25-I27 HydrophobicContact CG2-CG1 3.74Å; I27-Y33 HydrophobicContact CB-CD2 4.38Å; I27-Y33 HydrophobicContact CB-CE2 4.13Å; I27-Y33 HydrophobicContact CD1-CG 4.4Å; I27-Y33 HydrophobicContact CG1-CD1 4.15Å; I27-Y33 HydrophobicContact CG1-CD2 4.09Å; I27-Y33 HydrophobicContact CG1-CE1 4.26Å; I27-Y33 HydrophobicContact CG1-CE2 4.2Å; I27-Y33 HydrophobicContact CG1-CG 4.05Å; I27-Y33 HydrophobicContact CG2-CD2 3.75Å; I27-Y33 HydrophobicContact CG2-CE2 3.6Å; I27-T187 HydrophobicContact CG2-CG2 3.59Å; I27-I189 HydrophobicContact CD1-CD1 3.43Å; I27-I189 VanDerWaalsContact CD1-CD1 3.43Å; I27-I189 HydrophobicContact CD1-CG1 3.96Å; I27-F206 HydrophobicContact CG1-CE2 4.39Å
28E96.5Very high96.3Very high66 Ų6635.1 Ų35.131%0.30819%0.193SC..  trans-82.8163.7174.6-60.7-162.5154.900111.9Y31 Y33 T187E28-Y31 HydrophobicContact CB-CD2 3.77Å; E28-Y31 HydrophobicContact CB-CE2 3.82Å; E28-Y31 WeakPolarHBondContact OE2-CE2 3.44Å; E28-Y33 WeakPolarHBondContact CB-OH 3.47Å; E28-Y33 PolarHBondContact N-OH 3.43Å; E28-T187 PolarHBondContact O-OG1 3.28Å
29S95.8Very high96.3Very high71 Ų7136.8 Ų36.850%0.49721%0.21SC..THydrogen-bonded Turntrans-78.1135.8-179.460.70000112.1T187S29-T187 VanDerWaalsContact CA-OG1 3.29Å; S29-T187 WeakPolarHBondContact CA-OG1 3.44Å
30G95.2Very high95.9Very high26 Ų2638.8 Ų38.827%0.26824%0.238SC..THydrogen-bonded Turntrans86.47.6168.500000116Q181 T187G30-Q181 PolarHBondContact O-NE2 3.13Å; G30-T187 PolarHBondContact N-OG1 3.27Å
31Y97.1Very high95.7Very high91 Ų9139 Ų3936%0.35724%0.24SC..  trans-102.5164.2173.3-62.1-77.1000112.6E28 Y33 T187 F188 D203 F204E28-Y31 HydrophobicContact CB-CD2 3.77Å; E28-Y31 HydrophobicContact CB-CE2 3.82Å; E28-Y31 WeakPolarHBondContact OE2-CE2 3.44Å; Y31-Y33 HydrophobicContact CD2-CE2 4.49Å; Y31-T187 WeakPolarHBondContact O-CA 3.38Å; Y31-F188 PolarHBondContact O-N 3.29Å; Y31-D203 WeakPolarHBondContact CA-OD2 3.44Å; Y31-D203 HydrophobicContact CD1-CB 4.01Å; Y31-F204 HydrophobicContact CD1-CD2 4.47Å; Y31-F204 AromaticContact CD1-CE2 3.85Å; Y31-F204 HydrophobicContact CD1-CE2 3.85Å; Y31-F204 HydrophobicContact CD2-CE2 4.29Å; Y31-F204 HydrophobicContact CE1-CE2 4.11Å; Y31-F204 HydrophobicContact CG-CD2 4.32Å; Y31-F204 AromaticContact CG-CE2 3.93Å; Y31-F204 HydrophobicContact CG-CE2 3.93Å
32F97.7Very high95.7Very high0 Ų036.4 Ų36.40%023%0.227CC..EExtended strand (participates in β ladder)trans-100.7105.9171.6-158.6-58.2000109.7L158 Q181 F188 F190 L201 D203 F204F32-L158 HydrophobicContact CZ-CD1 4.33Å; F32-Q181 HydrophobicContact CB-CG 4.47Å; F32-Q181 HydrophobicContact CD2-CB 4.12Å; F32-Q181 HydrophobicContact CD2-CG 3.97Å; F32-F188 HydrophobicContact CB-CB 4.39Å; F32-F188 HydrophobicContact CD1-CB 4.25Å; F32-F188 HydrophobicContact CD2-CB 3.67Å; F32-F188 AromaticContact CD2-CD1 3.95Å; F32-F188 HydrophobicContact CD2-CD1 3.95Å; F32-F188 HydrophobicContact CD2-CG 4.02Å; F32-F188 HydrophobicContact CE2-CB 3.94Å; F32-F188 AromaticContact CE2-CD1 3.57Å; F32-F188 HydrophobicContact CE2-CD1 3.57Å; F32-F188 HydrophobicContact CE2-CE1 4.4Å; F32-F188 HydrophobicContact CE2-CG 4.09Å; F32-F188 HydrophobicContact CG-CB 3.83Å; F32-F188 HydrophobicContact CZ-CB 4.36Å; F32-F188 HydrophobicContact CZ-CD1 4.23Å; F32-F190 HydrophobicContact CD1-CB 4.43Å; F32-F190 HydrophobicContact CE1-CB 3.4Å; F32-F190 HydrophobicContact CE1-CD1 4.25Å; F32-F190 HydrophobicContact CE1-CG 4.09Å; F32-F190 HydrophobicContact CZ-CB 3.89Å; F32-F190 HydrophobicContact CZ-CG 4.31Å; F32-L201 WeakPolarHBondContact CB-O 3.41Å; F32-L201 HydrophobicContact CD1-CB 4.48Å; F32-L201 WeakPolarHBondContact CD1-O 3.37Å; F32-L201 WeakPolarHBondContact CD2-O 3.37Å; F32-L201 HydrophobicContact CE1-CB 3.87Å; F32-L201 WeakPolarHBondContact CE1-O 3.34Å; F32-L201 HydrophobicContact CE2-CB 4.49Å; F32-L201 WeakPolarHBondContact CG-O 3.24Å; F32-L201 HydrophobicContact CZ-CB 3.9Å; F32-L201 HydrophobicContact CZ-CD1 4.26Å; F32-D203 PolarHBondContact N-OD2 3.34Å; F32-D203 PolarHBondContact O-N 3.14Å; F32-F204 PolarHBondContact O-N 3.35Å
33Y98.3Very high95.7Very high5 Ų532.3 Ų32.32%0.0220%0.204CC..EExtended strand (participates in β ladder)trans-96.3141.3174.6-68-90.1000110.5I27 E28 Y31 T187 F188 I189 F190 F204 F206 F216I27-Y33 HydrophobicContact CB-CD2 4.38Å; I27-Y33 HydrophobicContact CB-CE2 4.13Å; I27-Y33 HydrophobicContact CD1-CG 4.4Å; I27-Y33 HydrophobicContact CG1-CD1 4.15Å; I27-Y33 HydrophobicContact CG1-CD2 4.09Å; I27-Y33 HydrophobicContact CG1-CE1 4.26Å; I27-Y33 HydrophobicContact CG1-CE2 4.2Å; I27-Y33 HydrophobicContact CG1-CG 4.05Å; I27-Y33 HydrophobicContact CG2-CD2 3.75Å; I27-Y33 HydrophobicContact CG2-CE2 3.6Å; E28-Y33 WeakPolarHBondContact CB-OH 3.47Å; E28-Y33 PolarHBondContact N-OH 3.43Å; Y31-Y33 HydrophobicContact CD2-CE2 4.49Å; Y33-T187 HydrophobicContact CD2-CG2 4.08Å; Y33-T187 HydrophobicContact CE2-CG2 4.36Å; Y33-F188 PolarHBondContact N-O 2.65Å; Y33-I189 CarbonylContact O-C 3.57Å; Y33-I189 VanDerWaalsContact O-CA 3.32Å; Y33-I189 WeakPolarHBondContact O-CA 3.16Å; Y33-F190 PolarHBondContact O-N 3.07Å; Y33-F204 CarbonylContact C-O 3.5Å; Y33-F204 WeakPolarHBondContact CA-O 3.32Å; Y33-F204 HydrophobicContact CD1-CB 3.68Å; Y33-F204 HydrophobicContact CD1-CD2 4.37Å; Y33-F204 HydrophobicContact CD1-CG 4.42Å; Y33-F204 HydrophobicContact CE1-CB 3.69Å; Y33-F204 AromaticContact CE1-CD2 3.73Å; Y33-F204 HydrophobicContact CE1-CD2 3.73Å; Y33-F204 AromaticContact CE1-CG 3.96Å; Y33-F204 HydrophobicContact CE1-CG 3.96Å; Y33-F204 AromaticContact CZ-CD2 3.92Å; Y33-F206 HydrophobicContact CD1-CD2 4.45Å; Y33-F206 AromaticContact CD1-CE2 3.65Å; Y33-F206 HydrophobicContact CD1-CE2 3.65Å; Y33-F206 HydrophobicContact CD1-CZ 4.43Å; Y33-F206 HydrophobicContact CE1-CE2 4.26Å; Y33-F206 HydrophobicContact CG-CE2 4.48Å; Y33-F216 HydrophobicContact CD1-CE2 4.18Å; Y33-F216 AromaticContact CE1-CE2 3.93Å; Y33-F216 HydrophobicContact CE1-CE2 3.93Å; Y33-F216 HydrophobicContact CE1-CZ 4.11Å
34T98.1Very high95.6Very high0 Ų034.2 Ų34.20%022%0.216CC..EExtended strand (participates in β ladder)trans-122.6132.3169.2-62.30000111.7L36 F190 T192 A198 S202 F204 L205 F206T34-L36 HydrophobicContact CG2-CB 4.36Å; T34-F190 CarbonylContact C-O 3.58Å; T34-F190 VanDerWaalsContact CA-O 3.24Å; T34-F190 WeakPolarHBondContact CA-O 3.45Å; T34-F190 HydrophobicContact CG2-CD1 3.88Å; T34-T192 HydrophobicContact CG2-CG2 3.77Å; T34-A198 HydrophobicContact CG2-CB 3.95Å; T34-S202 WeakPolarHBondContact CB-OG 3.44Å; T34-S202 PolarHBondContact OG1-OG 2.97Å; T34-F204 PolarHBondContact N-O 3.27Å; T34-L205 HydrophobicContact CG2-CD2 4.14Å; T34-L205 CarbonylContact O-C 3.54Å; T34-L205 WeakPolarHBondContact O-CA 3.05Å; T34-F206 PolarHBondContact O-N 2.92Å
35L97.9Very high95.5Very high2 Ų230.9 Ų30.91%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-89.8110.5165.3-53.5178.9000107.1I25 K43 I46 I189 F190 V191 T192 F206 L208I25-L35 HydrophobicContact CD1-CD2 4.14Å; L35-K43 HydrophobicContact CB-CB 4.34Å; L35-K43 HydrophobicContact CB-CG 4.49Å; L35-K43 WeakPolarHBondContact O-CD 3.5Å; L35-I46 HydrophobicContact CD1-CB 3.9Å; L35-I46 HydrophobicContact CD1-CD1 4.45Å; L35-I46 HydrophobicContact CD1-CG2 3.56Å; L35-I189 HydrophobicContact CD1-CG2 4.33Å; L35-I189 HydrophobicContact CG-CG2 4.28Å; L35-F190 PolarHBondContact N-O 3.07Å; L35-V191 HydrophobicContact CB-CG2 4.12Å; L35-V191 HydrophobicContact CD1-CG2 3.99Å; L35-V191 HydrophobicContact CG-CG2 4.43Å; L35-T192 PolarHBondContact O-N 2.87Å; L35-F206 HydrophobicContact CD2-CB 3.86Å; L35-F206 HydrophobicContact CD2-CD2 3.76Å; L35-F206 HydrophobicContact CD2-CG 4.05Å; L35-L208 HydrophobicContact CB-CD1 3.92Å; L35-L208 HydrophobicContact CD2-CD1 4.25Å
36L97.2Very high95.5Very high0 Ų030.8 Ų30.80%020%0.199CC..EExtended strand (participates in β ladder)trans-113.8141.8-176.2173.261.6000109.7T34 T192 A198 F206 V207 L208 F234 I235T34-L36 HydrophobicContact CG2-CB 4.36Å; L36-T192 HydrophobicContact CD1-CG2 4.24Å; L36-A198 HydrophobicContact CB-CB 4.23Å; L36-A198 HydrophobicContact CD1-CB 4Å; L36-A198 HydrophobicContact CD2-CB 3.64Å; L36-A198 HydrophobicContact CG-CB 4.15Å; L36-F206 PolarHBondContact N-O 3.41Å; L36-V207 CarbonylContact O-C 3.53Å; L36-V207 WeakPolarHBondContact O-CA 3.24Å; L36-L208 PolarHBondContact O-N 2.84Å; L36-F234 HydrophobicContact CD1-CE1 3.9Å; L36-F234 HydrophobicContact CD1-CZ 4.42Å; L36-F234 HydrophobicContact CD2-CE1 4.47Å; L36-F234 HydrophobicContact CG-CE1 3.85Å; L36-I235 HydrophobicContact CD2-CD1 3.25Å; L36-I235 HydrophobicContact CG-CD1 4.45Å
37G95.7Very high95.5Very high0 Ų026.7 Ų26.70%018%0.177CC..  trans165.4168.1178.800000113.1K43 L208G37-K43 PolarHBondContact O-NZ 3Å; G37-L208 WeakPolarHBondContact CA-O 3.14Å
38P93.4Very high95.4Very high42 Ų4230.4 Ų30.427%0.27319%0.193SC..SBendtrans-59.7163.5178.1-23.332.7000113.3G40 C41 K43 L208 F230 F234P38-G40 PolarHBondContact O-N 2.97Å; P38-C41 PolarHBondContact O-N 2.91Å; P38-C41 PolarHBondContact O-SG 3.34Å; P38-K43 PolarHBondContact O-NZ 2.91Å; P38-L208 VanDerWaalsContact CD-O 3.3Å; P38-L208 WeakPolarHBondContact CD-O 3.36Å; P38-F230 HydrophobicContact CG-CE2 3.96Å; P38-F230 HydrophobicContact CG-CZ 3.88Å; P38-F234 HydrophobicContact CB-CE2 4.36Å; P38-F234 HydrophobicContact CG-CD2 4.06Å; P38-F234 HydrophobicContact CG-CE2 3.68Å; P38-F234 HydrophobicContact CG-CZ 4.06Å
39S90.6Very high95.5Very high105 Ų10527.2 Ų27.273%0.73418%0.178SC*.THydrogen-bonded Turntrans-57.6133.7172.1-55.20000110.7
40G89.4Confident95.5Very high73 Ų7323.9 Ų23.975%0.75316%0.155SC*.THydrogen-bonded Turntrans84.6-0.8177.200000116.5P38 G42P38-G40 PolarHBondContact O-N 2.97Å; G40-G42 PolarHBondContact O-N 3.02Å
41C92.2Very high95.6Very high6 Ų622.8 Ų22.84%0.04114%0.143CC..SBendtrans-76-0.3-178.970.30000115.7P38 K43 G211P38-C41 PolarHBondContact O-N 2.91Å; P38-C41 PolarHBondContact O-SG 3.34Å; C41-K43 VanDerWaalsContact SG-CG 3.53Å; C41-G211 WeakPolarHBondContact O-CA 3.49Å; C41-G211 PolarHBondContact O-N 3.4Å
42G94.1Very high95.6Very high4 Ų418.5 Ų18.54%0.04113%0.127CC..SBendtrans108.1-2.1174.500000116.9G40 T44 T45 I46G40-G42 PolarHBondContact O-N 3.02Å; G42-T44 PolarHBondContact O-N 3.1Å; G42-T45 WeakPolarHBondContact O-CA 3.49Å; G42-T45 VanDerWaalsContact O-CB 3.24Å; G42-T45 WeakPolarHBondContact O-CB 3.43Å; G42-T45 PolarHBondContact O-N 2.98Å; G42-I46 PolarHBondContact O-N 3.26Å
43K95.8Very high95.5Very high7 Ų723 Ų233%0.0315%0.146CC..Hα-helixtrans-50.9-52.8-178.6-47.3-178.6-66.3-77.30114.3L35 G37 P38 C41 T45 I46 L47 V191 T192 L208L35-K43 HydrophobicContact CB-CB 4.34Å; L35-K43 HydrophobicContact CB-CG 4.49Å; L35-K43 WeakPolarHBondContact O-CD 3.5Å; G37-K43 PolarHBondContact O-NZ 3Å; P38-K43 PolarHBondContact O-NZ 2.91Å; C41-K43 VanDerWaalsContact SG-CG 3.53Å; K43-T45 PolarHBondContact O-N 3.27Å; K43-I46 WeakPolarHBondContact O-CB 3.49Å; K43-I46 PolarHBondContact O-N 3.18Å; K43-L47 PolarHBondContact O-N 3.43Å; K43-V191 HydrophobicContact CB-CB 4.46Å; K43-V191 HydrophobicContact CB-CG1 3.49Å; K43-V191 VanDerWaalsContact CB-CG1 3.49Å; K43-V191 HydrophobicContact CB-CG2 4.17Å; K43-V191 HydrophobicContact CD-CG1 4.03Å; K43-V191 HydrophobicContact CG-CG1 4.4Å; K43-T192 VanDerWaalsContact CD-O 3.31Å; K43-T192 WeakPolarHBondContact CD-O 3.31Å; K43-T192 WeakPolarHBondContact CE-O 3.15Å; K43-L208 HydrophobicContact CG-CD1 4.41Å
44T93.8Very high95.3Very high43 Ų4325.2 Ų25.226%0.26416%0.157SC..Hα-helixtrans-65.3-30.3178.6-540000111.6G42 L47 K48 D159G42-T44 PolarHBondContact O-N 3.1Å; T44-L47 PolarHBondContact O-N 2.98Å; T44-K48 HydrophobicContact CG2-CD 4.33Å; T44-K48 HydrophobicContact CG2-CG 4.5Å; T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 VanDerWaalsContact O-CG 3.26Å; T44-K48 WeakPolarHBondContact O-CG 3.35Å; T44-K48 PolarHBondContact O-N 3.4Å; T44-D159 PolarHBondContact OG1-OD1 2.82Å
45T95.7Very high95.1Very high17 Ų1729.9 Ų29.910%0.10418%0.175CC..Hα-helixtrans-65.4-45.4173.6-56.80000110.9K12 Y14 I19 L20 G42 K43 L47 K48 L49K12-T45 HydrophobicContact CB-CG2 4.12Å; K12-T45 HydrophobicContact CG-CG2 3.78Å; Y14-T45 HydrophobicContact CE2-CG2 4Å; I19-T45 HydrophobicContact CG2-CG2 4.29Å; L20-T45 HydrophobicContact CD1-CG2 3.7Å; L20-T45 HydrophobicContact CG-CG2 4.14Å; G42-T45 WeakPolarHBondContact O-CA 3.49Å; G42-T45 VanDerWaalsContact O-CB 3.24Å; G42-T45 WeakPolarHBondContact O-CB 3.43Å; G42-T45 PolarHBondContact O-N 2.98Å; K43-T45 PolarHBondContact O-N 3.27Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.28Å; T45-K48 PolarHBondContact O-N 3.1Å; T45-L49 HydrophobicContact CG2-CD1 4.17Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.35Å; T45-L49 PolarHBondContact O-N 2.79Å
46I97.3Very high95Very high0 Ų031 Ų310%018%0.182CC..Hα-helixtrans-57.7-48.6173.6-65.7170.7000110.2L7 L20 I23 I25 L35 G42 K43 K48 L49 I50 L208L7-I46 HydrophobicContact CD2-CG2 3.97Å; L20-I46 HydrophobicContact CD1-CG1 3.64Å; L20-I46 HydrophobicContact CD2-CD1 3.96Å; L20-I46 HydrophobicContact CD2-CG1 3.71Å; L20-I46 HydrophobicContact CG-CG1 4.36Å; I23-I46 HydrophobicContact CG2-CD1 4.36Å; I25-I46 HydrophobicContact CD1-CD1 4.19Å; I25-I46 HydrophobicContact CD1-CG2 4.06Å; L35-I46 HydrophobicContact CD1-CB 3.9Å; L35-I46 HydrophobicContact CD1-CD1 4.45Å; L35-I46 HydrophobicContact CD1-CG2 3.56Å; G42-I46 PolarHBondContact O-N 3.26Å; K43-I46 WeakPolarHBondContact O-CB 3.49Å; K43-I46 PolarHBondContact O-N 3.18Å; I46-K48 VanDerWaalsContact C-N 3.32Å; I46-K48 PolarHBondContact O-N 3.42Å; I46-L49 WeakPolarHBondContact O-CB 3.35Å; I46-L49 PolarHBondContact O-N 3.18Å; I46-L49 VanDerWaalsContact O-N 3.13Å; I46-I50 HydrophobicContact CG2-CD1 3.87Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 3.48Å; I46-L208 HydrophobicContact CD1-CD2 3.34Å
47L96.6Very high95Very high2 Ų235.4 Ų35.41%0.0121%0.206CC..Hα-helixtrans-60.6-40.3179.3-169.5144.8000112.2K43 T44 T45 I50 A51 T80 L157 D159 V191K43-L47 PolarHBondContact O-N 3.43Å; T44-L47 PolarHBondContact O-N 2.98Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.28Å; L47-I50 PolarHBondContact O-N 3.34Å; L47-A51 VanDerWaalsContact O-CB 3.29Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.24Å; L47-T80 HydrophobicContact CD2-CG2 3.91Å; L47-L157 HydrophobicContact CD1-CB 4.02Å; L47-L157 HydrophobicContact CD2-CB 4.19Å; L47-L157 HydrophobicContact CD2-CD1 4.42Å; L47-L157 HydrophobicContact CG-CB 4.01Å; L47-L157 HydrophobicContact CG-CD1 4.32Å; L47-D159 HydrophobicContact CD1-CB 4.06Å; L47-D159 HydrophobicContact CD2-CB 4.04Å; L47-V191 HydrophobicContact CB-CG2 4.03Å; L47-V191 HydrophobicContact CD1-CB 4.23Å; L47-V191 HydrophobicContact CD1-CG2 3.48Å; L47-V191 VanDerWaalsContact CD1-CG2 3.48Å; L47-V191 HydrophobicContact CG-CG2 4.39Å
48K96.1Very high95Very high78 Ų7838.2 Ų38.234%0.33923%0.226SC..Hα-helixtrans-66.2-38.3174.2-75.7172.8178.1177.20113T44 T45 I46 I50 A51 G52 F53 E54T44-K48 HydrophobicContact CG2-CD 4.33Å; T44-K48 HydrophobicContact CG2-CG 4.5Å; T44-K48 WeakPolarHBondContact O-CB 3.4Å; T44-K48 VanDerWaalsContact O-CG 3.26Å; T44-K48 WeakPolarHBondContact O-CG 3.35Å; T44-K48 PolarHBondContact O-N 3.4Å; T45-K48 PolarHBondContact O-N 3.1Å; I46-K48 VanDerWaalsContact C-N 3.32Å; I46-K48 PolarHBondContact O-N 3.42Å; K48-I50 VanDerWaalsContact C-N 3.34Å; K48-A51 PolarHBondContact O-N 2.83Å; K48-G52 PolarHBondContact O-N 3.25Å; K48-F53 HydrophobicContact CB-CB 4.23Å; K48-F53 HydrophobicContact CG-CB 4.3Å; K48-F53 PolarHBondContact O-N 3.25Å; K48-E54 HydrophobicContact CB-CB 4.16Å; K48-E54 HydrophobicContact CB-CG 3.85Å; K48-E54 HydrophobicContact CD-CG 4.1Å; K48-E54 PolarHBondContact O-N 3.49Å
49L97.2Very high95.2Very high0 Ų038 Ų380%023%0.232CC..Hα-helixtrans-64.3-38.2174.9-73.3167.5000111.4V10 K12 L20 T45 I46 E54 P56 R76V10-L49 HydrophobicContact CG1-CD1 3.8Å; K12-L49 HydrophobicContact CB-CD1 4.33Å; L20-L49 HydrophobicContact CD1-CD1 3.45Å; L20-L49 VanDerWaalsContact CD1-CD1 3.45Å; T45-L49 HydrophobicContact CG2-CD1 4.17Å; T45-L49 VanDerWaalsContact O-CG 3.28Å; T45-L49 WeakPolarHBondContact O-CG 3.35Å; T45-L49 PolarHBondContact O-N 2.79Å; I46-L49 WeakPolarHBondContact O-CB 3.35Å; I46-L49 PolarHBondContact O-N 3.18Å; I46-L49 VanDerWaalsContact O-N 3.13Å; L49-E54 HydrophobicContact CD2-CB 3.98Å; L49-E54 HydrophobicContact CG-CB 4.34Å; L49-P56 HydrophobicContact CD2-CB 4.2Å; L49-P56 VanDerWaalsContact CD2-N 3.29Å; L49-R76 PolarHBondContact O-NH1 2.78Å
50I97.3Very high95.5Very high1 Ų137.9 Ų37.91%0.00522%0.219CC..Hα-helixtrans-70.7-42174.6-62.4166.3000110.9L5 L7 I46 L47 K48 G52 R76 V78 L157 I189L5-I50 HydrophobicContact CD1-CG2 4.36Å; L5-I50 HydrophobicContact CD2-CB 4.48Å; L5-I50 HydrophobicContact CD2-CD1 3.89Å; L5-I50 HydrophobicContact CD2-CG1 3.99Å; L5-I50 HydrophobicContact CD2-CG2 3.63Å; L7-I50 HydrophobicContact CD1-CD1 4.24Å; L7-I50 HydrophobicContact CD1-CG1 3.93Å; I46-I50 HydrophobicContact CG2-CD1 3.87Å; I46-I50 WeakPolarHBondContact O-CG1 3.49Å; I46-I50 PolarHBondContact O-N 3.48Å; L47-I50 PolarHBondContact O-N 3.34Å; K48-I50 VanDerWaalsContact C-N 3.34Å; I50-G52 PolarHBondContact O-N 3.41Å; I50-R76 VanDerWaalsContact C-NH1 3.29Å; I50-R76 VanDerWaalsContact O-CD 3.28Å; I50-R76 WeakPolarHBondContact O-CD 3Å; I50-R76 PolarHBondContact O-NH1 3.21Å; I50-V78 HydrophobicContact CG2-CG1 4.49Å; I50-L157 HydrophobicContact CB-CD1 4.33Å; I50-L157 HydrophobicContact CG2-CD1 4.03Å; I50-L157 HydrophobicContact CG2-CD2 3.91Å; I50-I189 HydrophobicContact CD1-CD1 4.02Å
51A96.7Very high95.9Very high2 Ų234.4 Ų34.42%0.01718%0.184CC..Hα-helixtrans-69.8-20.2177.400000113.6L47 K48 F53 P73 L157L47-A51 VanDerWaalsContact O-CB 3.29Å; L47-A51 WeakPolarHBondContact O-CB 3.47Å; L47-A51 PolarHBondContact O-N 3.24Å; K48-A51 PolarHBondContact O-N 2.83Å; A51-F53 HydrophobicContact CB-CD2 3.42Å; A51-F53 VanDerWaalsContact CB-CD2 3.42Å; A51-F53 HydrophobicContact CB-CE2 3.59Å; A51-F53 HydrophobicContact CB-CG 4.4Å; A51-P73 VanDerWaalsContact O-CA 3.25Å; A51-P73 WeakPolarHBondContact O-CA 3.38Å; A51-P73 VanDerWaalsContact O-CB 3.29Å; A51-P73 WeakPolarHBondContact O-CB 3.47Å; A51-L157 HydrophobicContact CB-CD1 3.71Å
52G96.4Very high96.1Very high2 Ų235 Ų352%0.02119%0.186CC..THydrogen-bonded Turntrans79.618-176.500000115K48 I50 P73 R76K48-G52 PolarHBondContact O-N 3.25Å; I50-G52 PolarHBondContact O-N 3.41Å; G52-P73 WeakPolarHBondContact O-CD 3.38Å; G52-P73 WeakPolarHBondContact O-CG 3.44Å; G52-R76 VanDerWaalsContact CA-NE 3.33Å
53F95Very high96.3Very high94 Ų9435.7 Ų35.741%0.41219%0.188SC..SBendtrans-76.1-20.7169.6-65.4-58.9000111.8K48 A51 P73 F82K48-F53 HydrophobicContact CB-CB 4.23Å; K48-F53 HydrophobicContact CG-CB 4.3Å; K48-F53 PolarHBondContact O-N 3.25Å; A51-F53 HydrophobicContact CB-CD2 3.42Å; A51-F53 VanDerWaalsContact CB-CD2 3.42Å; A51-F53 HydrophobicContact CB-CE2 3.59Å; A51-F53 HydrophobicContact CB-CG 4.4Å; F53-P73 HydrophobicContact CD1-CB 4.34Å; F53-P73 HydrophobicContact CD1-CG 3.51Å; F53-P73 HydrophobicContact CE1-CB 3.88Å; F53-P73 HydrophobicContact CE1-CG 3.51Å; F53-P73 HydrophobicContact CG-CG 4.2Å; F53-P73 HydrophobicContact CZ-CB 4.15Å; F53-P73 HydrophobicContact CZ-CG 4.19Å; F53-F82 AromaticContact CE2-CE1 3.91Å; F53-F82 HydrophobicContact CE2-CE1 3.91Å; F53-F82 AromaticContact CE2-CZ 3.67Å; F53-F82 HydrophobicContact CE2-CZ 3.67Å; F53-F82 HydrophobicContact CZ-CE1 4.34Å; F53-F82 AromaticContact CZ-CZ 3.73Å; F53-F82 HydrophobicContact CZ-CZ 3.73Å
54E95.2Very high96.2Very high52 Ų5239.5 Ų39.524%0.24321%0.206CC..SBendtrans-130.1160.9174.1-68-66.7167.600110Y14 K48 L49Y14-E54 WeakPolarHBondContact OH-CG 3.17Å; K48-E54 HydrophobicContact CB-CB 4.16Å; K48-E54 HydrophobicContact CB-CG 3.85Å; K48-E54 HydrophobicContact CD-CG 4.1Å; K48-E54 PolarHBondContact O-N 3.49Å; L49-E54 HydrophobicContact CD2-CB 3.98Å; L49-E54 HydrophobicContact CG-CB 4.34Å
55Y94.5Very high96.2Very high97 Ų9741.9 Ų41.938%0.3822%0.216SC..  trans-117.6138178-59.4-84.9000109.7K12 G69K12-Y55 WeakPolarHBondContact CD-O 3.48Å; K12-Y55 WeakPolarHBondContact CE-O 3.38Å; K12-Y55 PolarHBondContact NZ-O 3.22Å; Y55-G69 WeakPolarHBondContact CD1-O 3.39Å
56P95.7Very high96.2Very high25 Ų2548 Ų4816%0.16224%0.242CC..  trans-65.9146.6176.530.3-35.8000110.2V10 L49 S58 V61V10-P56 HydrophobicContact CG1-CB 3.96Å; L49-P56 HydrophobicContact CD2-CB 4.2Å; L49-P56 VanDerWaalsContact CD2-N 3.29Å; P56-S58 WeakPolarHBondContact CB-O 3.26Å; P56-V61 HydrophobicContact CG-CG2 4.38Å
57D95.6Very high96.1Very high94 Ų9452 Ų5250%0.50327%0.268SS..SBendtrans-80.6-32.8174.7-60.5-24.7000110.7S11 K12 S13S11-D57 PolarHBondContact O-N 3.17Å; K12-D57 WeakPolarHBondContact CA-OD2 3.25Å; K12-D57 IonicContact NZ-OD1 3.65Å; K12-D57 PolarHBondContact NZ-OD1 2.66Å; S13-D57 PolarHBondContact N-OD2 3.32Å
58S96.7Very high96.1Very high59 Ų5952.6 Ų52.641%0.41327%0.271SS..EExtended strand (participates in β ladder)trans-145.8165.6170.360.90000110.8V10 S11 P56V10-S58 WeakPolarHBondContact CA-O 3.44Å; S11-S58 WeakPolarHBondContact CB-OG 3.32Å; S11-S58 PolarHBondContact N-O 3.39Å; S11-S58 VanDerWaalsContact N-O 3.14Å; S11-S58 PolarHBondContact OG-OG 3.07Å; P56-S58 WeakPolarHBondContact CB-O 3.26Å
59G96.9Very high95.9Very high38 Ų3849.4 Ų49.439%0.39226%0.26SS..EExtended strand (participates in β ladder)trans83.2-174.6-176.200000113.4K8 S9K8-G59 CarbonylContact O-C 3.59Å; K8-G59 WeakPolarHBondContact O-CA 3.46Å; S9-G59 VanDerWaalsContact O-CA 3.24Å; S9-G59 WeakPolarHBondContact O-CA 3.49Å
60E97.2Very high95.6Very high101 Ų10156.1 Ų56.147%0.47230%0.296SS..EExtended strand (participates in β ladder)trans-131.2136-175-63.2-170.597.900112L7 K8 V10 I62L7-E60 WeakPolarHBondContact CA-O 3.4Å; K8-E60 PolarHBondContact N-O 3.26Å; K8-E60 PolarHBondContact O-N 2.88Å; V10-E60 WeakPolarHBondContact CG2-O 3.4Å; E60-I62 HydrophobicContact CB-CD1 4.19Å; E60-I62 HydrophobicContact CB-CG1 3.98Å
61V97.5Very high95.5Very high1 Ų159 Ų591%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-98.4118.3163.5-172.70000107.3L5 L7 V10 P56 I68 G69L5-V61 HydrophobicContact CD1-CG1 4.14Å; L7-V61 HydrophobicContact CD1-CG1 4.38Å; L7-V61 HydrophobicContact CG-CG2 4.44Å; V10-V61 HydrophobicContact CG2-CG2 4.4Å; P56-V61 HydrophobicContact CG-CG2 4.38Å; V61-I68 HydrophobicContact CB-CG1 4.2Å; V61-I68 HydrophobicContact CG1-CD1 3.96Å; V61-I68 HydrophobicContact CG1-CG1 3.78Å; V61-I68 WeakPolarHBondContact O-CG1 3.35Å; V61-I68 PolarHBondContact O-N 3.47Å; V61-G69 PolarHBondContact O-N 3.47Å
62I97.6Very high95.4Very high19 Ų1960.7 Ų60.710%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-119.4132.3-172-58.6170.8000108.8L5 S6 K8 E60 K66L5-I62 CarbonylContact C-O 3.56Å; L5-I62 WeakPolarHBondContact CA-O 3.45Å; L5-I62 WeakPolarHBondContact CD1-O 3.29Å; S6-I62 PolarHBondContact N-O 3.42Å; S6-I62 PolarHBondContact O-N 3.12Å; K8-I62 HydrophobicContact CD-CD1 3.65Å; K8-I62 HydrophobicContact CG-CD1 4.09Å; E60-I62 HydrophobicContact CB-CD1 4.19Å; E60-I62 HydrophobicContact CB-CG1 3.98Å; I62-K66 WeakPolarHBondContact CA-O 3.5Å
63Y96.8Very high95.3Very high18 Ų1862.6 Ų62.67%0.07133%0.334CS..EExtended strand (participates in β ladder)trans-127.6123.2174.7173.5-94.6000109.4L4 N65 K66 K77 E154 I155L4-Y63 HydrophobicContact CD1-CE2 3.85Å; L4-Y63 HydrophobicContact CG-CE2 4.11Å; L4-Y63 WeakPolarHBondContact O-CA 3.44Å; L4-Y63 WeakPolarHBondContact O-CD2 3.41Å; Y63-N65 VanDerWaalsContact C-N 3.3Å; Y63-N65 PolarHBondContact O-N 3.34Å; Y63-K66 PolarHBondContact N-O 3.18Å; Y63-K66 WeakPolarHBondContact O-CB 3.48Å; Y63-K66 PolarHBondContact O-N 2.92Å; Y63-K77 HydrophobicContact CE1-CB 4.03Å; Y63-K77 HydrophobicContact CE1-CG 4.08Å; Y63-K77 HydrophobicContact CE2-CB 4.41Å; Y63-K77 WeakPolarHBondContact OH-CB 3.46Å; Y63-E154 VanDerWaalsContact OH-CB 3.3Å; Y63-E154 WeakPolarHBondContact OH-CB 3.32Å; Y63-E154 WeakPolarHBondContact OH-CG 3.29Å; Y63-E154 PolarHBondContact OH-OE1 2.98Å; Y63-E154 PolarHBondContact OH-OE2 2.91Å; Y63-I155 HydrophobicContact CD2-CD1 4.08Å; Y63-I155 HydrophobicContact CE2-CD1 3.9Å; Y63-I155 HydrophobicContact CE2-CG1 4.43Å
64Q94.6Very high95.1Very high87 Ų8764.6 Ų64.641%0.40735%0.349SS..THydrogen-bonded Turntrans46.952.5-174.6-63.9178.5-17.600112.1L4 K66 E154L4-Q64 HydrophobicContact CD1-CG 3.83Å; L4-Q64 PolarHBondContact O-N 2.69Å; Q64-K66 PolarHBondContact O-N 3.36Å; Q64-K66 VanDerWaalsContact O-N 3.13Å; Q64-E154 PolarHBondContact NE2-OE2 2.63Å
65N93.2Very high95Very high92 Ų9268.9 Ų68.949%0.49237%0.367SS..THydrogen-bonded Turntrans58.317.9-176.2-54.9-49.7000116.1E2 Y63E2-N65 VanDerWaalsContact CD-ND2 3.3Å; E2-N65 PolarHBondContact OE2-ND2 3.18Å; Y63-N65 VanDerWaalsContact C-N 3.3Å; Y63-N65 PolarHBondContact O-N 3.34Å
66K95.4Very high95Very high145 Ų14565.1 Ų65.163%0.6335%0.352SS*.EExtended strand (participates in β ladder)trans-116.8127176.8-66.1175-173.4168.50110.3I62 Y63 Q64 I68I62-K66 WeakPolarHBondContact CA-O 3.5Å; Y63-K66 PolarHBondContact N-O 3.18Å; Y63-K66 WeakPolarHBondContact O-CB 3.48Å; Y63-K66 PolarHBondContact O-N 2.92Å; Q64-K66 PolarHBondContact O-N 3.36Å; Q64-K66 VanDerWaalsContact O-N 3.13Å; K66-I68 PolarHBondContact O-N 3.31Å
67P96.1Very high94.7Very high86 Ų8670.1 Ų70.156%0.55837%0.371SS*.EExtended strand (participates in β ladder)trans-59.3125.8171.8-24.434.2000111.1
68I96.4Very high94.7Very high14 Ų1466.1 Ų66.17%0.07235%0.35CS..  trans-118.9-0.3177.962.2159.7000113.2L5 V61 K66 N70 L71 R76L5-I68 HydrophobicContact CD1-CD1 4.4Å; V61-I68 HydrophobicContact CB-CG1 4.2Å; V61-I68 HydrophobicContact CG1-CD1 3.96Å; V61-I68 HydrophobicContact CG1-CG1 3.78Å; V61-I68 WeakPolarHBondContact O-CG1 3.35Å; V61-I68 PolarHBondContact O-N 3.47Å; K66-I68 PolarHBondContact O-N 3.31Å; I68-N70 PolarHBondContact O-N 3.29Å; I68-L71 HydrophobicContact CB-CD1 3.96Å; I68-L71 HydrophobicContact CB-CG 4.35Å; I68-L71 HydrophobicContact CG2-CD1 3.78Å; I68-L71 WeakPolarHBondContact O-CB 3.35Å; I68-L71 PolarHBondContact O-N 3.02Å; I68-R76 PolarHBondContact O-NH2 3.24Å; I68-R76 VanDerWaalsContact O-NH2 3.15Å
69G92Very high94.7Very high10 Ų1065.4 Ų65.410%0.10334%0.342CS..THydrogen-bonded Turntrans-48.3-40.6-175.100000114Y55 V61 R76Y55-G69 WeakPolarHBondContact CD1-O 3.39Å; V61-G69 PolarHBondContact O-N 3.47Å; G69-R76 PolarHBondContact O-NH2 3.19Å
70N92.2Very high94.6Very high141 Ų14164.3 Ų64.375%0.75433%0.327SS*.THydrogen-bonded Turntrans-89.2-0.5-179.5-65.8-37.1000115I68I68-N70 PolarHBondContact O-N 3.29Å
71L94.8Very high94.5Very high61 Ų6159.5 Ų59.532%0.31931%0.305SS..  trans-79.8132.5179.7-63.2-175.7000110.8I68 K75 R76I68-L71 HydrophobicContact CB-CD1 3.96Å; I68-L71 HydrophobicContact CB-CG 4.35Å; I68-L71 HydrophobicContact CG2-CD1 3.78Å; I68-L71 WeakPolarHBondContact O-CB 3.35Å; I68-L71 PolarHBondContact O-N 3.02Å; L71-K75 HydrophobicContact CB-CB 4.4Å; L71-K75 HydrophobicContact CD2-CD 4.49Å; L71-R76 HydrophobicContact CB-CG 4.26Å; L71-R76 PolarHBondContact O-NE 2.59Å; L71-R76 PolarHBondContact O-NH2 3.34Å; L71-R76 VanDerWaalsContact O-NH2 3.08Å
72P94.5Very high94.2Very high39 Ų3962.6 Ų62.625%0.25332%0.318SS..  trans-68.1161172.830.4-36.5000111.4N74 K75P72-N74 VanDerWaalsContact C-N 3.28Å; P72-N74 WeakPolarHBondContact CB-OD1 3.46Å; P72-N74 WeakPolarHBondContact CG-OD1 3.35Å; P72-N74 PolarHBondContact O-N 2.9Å; P72-N74 VanDerWaalsContact O-N 3.14Å; P72-K75 HydrophobicContact CG-CB 4.39Å; P72-K75 HydrophobicContact CG-CD 4.05Å; P72-K75 HydrophobicContact CG-CG 4.07Å; P72-K75 PolarHBondContact O-N 3.46Å
73P93.6Very high93.8Very high41 Ų4165.9 Ų65.927%0.26633%0.333SS..G310 helixtrans-54.5-40.1-172.6-26.333.6000114.1A51 G52 F53 K75 R76A51-P73 VanDerWaalsContact O-CA 3.25Å; A51-P73 WeakPolarHBondContact O-CA 3.38Å; A51-P73 VanDerWaalsContact O-CB 3.29Å; A51-P73 WeakPolarHBondContact O-CB 3.47Å; G52-P73 WeakPolarHBondContact O-CD 3.38Å; G52-P73 WeakPolarHBondContact O-CG 3.44Å; F53-P73 HydrophobicContact CD1-CB 4.34Å; F53-P73 HydrophobicContact CD1-CG 3.51Å; F53-P73 HydrophobicContact CE1-CB 3.88Å; F53-P73 HydrophobicContact CE1-CG 3.51Å; F53-P73 HydrophobicContact CG-CG 4.2Å; F53-P73 HydrophobicContact CZ-CB 4.15Å; F53-P73 HydrophobicContact CZ-CG 4.19Å; P73-K75 PolarHBondContact O-N 3.18Å; P73-K75 VanDerWaalsContact O-N 3.1Å; P73-R76 PolarHBondContact O-N 2.95Å; P73-R76 VanDerWaalsContact O-N 3.07Å
74N91.2Very high93.3Very high136 Ų13670.8 Ų70.873%0.72736%0.36SS*.G310 helixtrans-68.5-9.2-178.369.3-46.6000114.6P72P72-N74 VanDerWaalsContact C-N 3.28Å; P72-N74 WeakPolarHBondContact CB-OD1 3.46Å; P72-N74 WeakPolarHBondContact CG-OD1 3.35Å; P72-N74 PolarHBondContact O-N 2.9Å; P72-N74 VanDerWaalsContact O-N 3.14Å
75K92.1Very high93.1Very high143 Ų14367.5 Ų67.562%0.62235%0.345SS*.G310 helixtrans-104.2-2.8174.7-67.4-170.7-177177.30113.1L71 P72 P73L71-K75 HydrophobicContact CB-CB 4.4Å; L71-K75 HydrophobicContact CD2-CD 4.49Å; P72-K75 HydrophobicContact CG-CB 4.39Å; P72-K75 HydrophobicContact CG-CD 4.05Å; P72-K75 HydrophobicContact CG-CG 4.07Å; P72-K75 PolarHBondContact O-N 3.46Å; P73-K75 PolarHBondContact O-N 3.18Å; P73-K75 VanDerWaalsContact O-N 3.1Å
76R94Very high93Very high17 Ų1764.8 Ų64.86%0.06434%0.335CS..SBendtrans-90.9153.6178.9-60.6-171.1-178-154.46.2110.7L49 I50 G52 I68 G69 L71 P73 V78L49-R76 PolarHBondContact O-NH1 2.78Å; I50-R76 VanDerWaalsContact C-NH1 3.29Å; I50-R76 VanDerWaalsContact O-CD 3.28Å; I50-R76 WeakPolarHBondContact O-CD 3Å; I50-R76 PolarHBondContact O-NH1 3.21Å; G52-R76 VanDerWaalsContact CA-NE 3.33Å; I68-R76 PolarHBondContact O-NH2 3.24Å; I68-R76 VanDerWaalsContact O-NH2 3.15Å; G69-R76 PolarHBondContact O-NH2 3.19Å; L71-R76 HydrophobicContact CB-CG 4.26Å; L71-R76 PolarHBondContact O-NE 2.59Å; L71-R76 PolarHBondContact O-NH2 3.34Å; L71-R76 VanDerWaalsContact O-NH2 3.08Å; P73-R76 PolarHBondContact O-N 2.95Å; P73-R76 VanDerWaalsContact O-N 3.07Å; R76-V78 HydrophobicContact CB-CG2 3.99Å; R76-V78 PolarHBondContact O-N 3.24Å
77K91.5Very high93Very high130 Ų13059 Ų5957%0.56531%0.31SS*.SBendtrans-89.834.1179.2-68-64.5-168.3167.50112.5Y63 E154Y63-K77 HydrophobicContact CE1-CB 4.03Å; Y63-K77 HydrophobicContact CE1-CG 4.08Å; Y63-K77 HydrophobicContact CE2-CB 4.41Å; Y63-K77 WeakPolarHBondContact OH-CB 3.46Å; K77-E154 PolarHBondContact O-N 3.49Å
78V95.2Very high92.9Very high11 Ų1157.9 Ų57.97%0.06730%0.297CS..EExtended strand (participates in β ladder)trans-126.2153.1-176.2-46.40000109.8I50 R76 I155 L157I50-V78 HydrophobicContact CG2-CG1 4.49Å; R76-V78 HydrophobicContact CB-CG2 3.99Å; R76-V78 PolarHBondContact O-N 3.24Å; V78-I155 VanDerWaalsContact CA-O 3.29Å; V78-I155 WeakPolarHBondContact CA-O 3.28Å; V78-I155 HydrophobicContact CB-CB 4.38Å; V78-I155 HydrophobicContact CG1-CB 3.9Å; V78-I155 HydrophobicContact CG1-CD1 4.2Å; V78-I155 HydrophobicContact CG1-CG1 4.43Å; V78-L157 HydrophobicContact CB-CD1 4.32Å; V78-L157 HydrophobicContact CB-CG 4.48Å; V78-L157 HydrophobicContact CG2-CD1 4.03Å
79N95.3Very high92.8Very high44 Ų4460.7 Ų60.724%0.23532%0.316CS..EExtended strand (participates in β ladder)trans-131.4147.7170.8-80.498.5000109.7A148 P153 I155 L156 L157N79-A148 HydrophobicContact CB-CB 4.05Å; N79-P153 HydrophobicContact CB-CB 4.04Å; N79-P153 HydrophobicContact CB-CG 4.13Å; N79-P153 WeakPolarHBondContact OD1-CB 3.45Å; N79-I155 PolarHBondContact N-O 2.88Å; N79-I155 VanDerWaalsContact N-O 3.16Å; N79-L156 HydrophobicContact CB-CD1 4.36Å; N79-L157 PolarHBondContact O-N 3.17Å
80T95.2Very high92.9Very high15 Ų1567 Ų679%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-116.5134.3-176.3-51.50000111.3L47 F82 L157L47-T80 HydrophobicContact CD2-CG2 3.91Å; T80-F82 HydrophobicContact CG2-CD1 4.03Å; T80-F82 HydrophobicContact CG2-CD2 4.41Å; T80-F82 HydrophobicContact CG2-CE1 3.89Å; T80-F82 HydrophobicContact CG2-CE2 4.29Å; T80-F82 HydrophobicContact CG2-CG 4.29Å; T80-F82 HydrophobicContact CG2-CZ 4.04Å; T80-L157 CarbonylContact C-O 3.55Å; T80-L157 WeakPolarHBondContact CA-O 3.43Å; T80-L157 HydrophobicContact CG2-CB 4.25Å
81V94.9Very high93.1Very high0 Ų062.1 Ų62.10%032%0.317CS..EExtended strand (participates in β ladder)trans-100.8111.3161.9-177.50000107.2A144 I145 A148 L156 L157 L158 D159V81-A144 HydrophobicContact CG1-CB 3.94Å; V81-I145 HydrophobicContact CG2-CG1 4.22Å; V81-A148 HydrophobicContact CG2-CB 3.83Å; V81-L156 HydrophobicContact CG2-CD1 4.26Å; V81-L157 PolarHBondContact N-O 2.62Å; V81-L158 HydrophobicContact CB-CD2 3.65Å; V81-L158 HydrophobicContact CG1-CD2 4.42Å; V81-L158 HydrophobicContact CG2-CD2 3.63Å; V81-D159 PolarHBondContact O-N 3.14Å
82F91.8Very high93.3Very high65 Ų6561.4 Ų61.429%0.28531%0.313SS..  trans-78.1158.2-178.8-60.9-85.1000111.8F53 T80 D84 Y85 A86F53-F82 AromaticContact CE2-CE1 3.91Å; F53-F82 HydrophobicContact CE2-CE1 3.91Å; F53-F82 AromaticContact CE2-CZ 3.67Å; F53-F82 HydrophobicContact CE2-CZ 3.67Å; F53-F82 HydrophobicContact CZ-CE1 4.34Å; F53-F82 AromaticContact CZ-CZ 3.73Å; F53-F82 HydrophobicContact CZ-CZ 3.73Å; T80-F82 HydrophobicContact CG2-CD1 4.03Å; T80-F82 HydrophobicContact CG2-CD2 4.41Å; T80-F82 HydrophobicContact CG2-CE1 3.89Å; T80-F82 HydrophobicContact CG2-CE2 4.29Å; T80-F82 HydrophobicContact CG2-CG 4.29Å; T80-F82 HydrophobicContact CG2-CZ 4.04Å; F82-D84 VanDerWaalsContact C-N 3.29Å; F82-D84 WeakPolarHBondContact CB-OD1 3.34Å; F82-D84 PolarHBondContact O-N 3.05Å; F82-Y85 WeakPolarHBondContact O-CA 3.29Å; F82-Y85 PolarHBondContact O-N 3.36Å; F82-A86 HydrophobicContact CB-CB 4.13Å; F82-A86 HydrophobicContact CD2-CB 3.67Å; F82-A86 HydrophobicContact CE2-CB 4.45Å; F82-A86 HydrophobicContact CG-CB 4.15Å
83Q88.9Confident93.4Very high89 Ų8959.6 Ų59.642%0.41630%0.301SS..THydrogen-bonded Turntrans-55.1-41.1178.5-173.9177.120.300113.2Y85 D159 E160 S163Q83-Y85 PolarHBondContact O-N 3.38Å; Q83-D159 WeakPolarHBondContact CA-O 3.49Å; Q83-D159 WeakPolarHBondContact CB-O 3.49Å; Q83-D159 PolarHBondContact N-O 3.22Å; Q83-D159 VanDerWaalsContact N-O 3.13Å; Q83-E160 HydrophobicContact CG-CB 4.13Å; Q83-E160 PolarHBondContact NE2-OE2 3.46Å; Q83-S163 PolarHBondContact NE2-OG 2.82Å
84D86.9Confident93.6Very high120 Ų12059.8 Ų59.864%0.64230%0.297SS*.THydrogen-bonded Turntrans-86.18.117873.3-18.8000113.3F82 A86F82-D84 VanDerWaalsContact C-N 3.29Å; F82-D84 WeakPolarHBondContact CB-OD1 3.34Å; F82-D84 PolarHBondContact O-N 3.05Å; D84-A86 PolarHBondContact O-N 2.82Å; D84-A86 PolarHBondContact OD1-N 2.66Å
85Y90.3Very high94Very high19 Ų1955.1 Ų55.18%0.07527%0.272CS..THydrogen-bonded Turntrans64.7-18.1-171.5-45.6-46.2000115F82 Q83 L87 K140 Q141 R147 L165F82-Y85 WeakPolarHBondContact O-CA 3.29Å; F82-Y85 PolarHBondContact O-N 3.36Å; Q83-Y85 PolarHBondContact O-N 3.38Å; Y85-L87 PolarHBondContact O-N 3.37Å; Y85-K140 HydrophobicContact CD2-CB 3.73Å; Y85-K140 HydrophobicContact CE2-CB 4.02Å; Y85-K140 HydrophobicContact CG-CB 4.47Å; Y85-Q141 HydrophobicContact CD1-CB 4.18Å; Y85-Q141 HydrophobicContact CD1-CG 4.24Å; Y85-Q141 HydrophobicContact CE1-CB 3.67Å; Y85-Q141 HydrophobicContact CE1-CG 3.75Å; Y85-R147 PolarHBondContact O-NH2 3.07Å; Y85-L165 WeakPolarHBondContact OH-CD2 3.35Å
86A91Very high94.2Very high35 Ų3548.3 Ų48.329%0.28924%0.242SC..THydrogen-bonded Turntrans44.831.5-176.700000114.3F82 D84 R147F82-A86 HydrophobicContact CB-CB 4.13Å; F82-A86 HydrophobicContact CD2-CB 3.67Å; F82-A86 HydrophobicContact CE2-CB 4.45Å; F82-A86 HydrophobicContact CG-CB 4.15Å; D84-A86 PolarHBondContact O-N 2.82Å; D84-A86 PolarHBondContact OD1-N 2.66Å; A86-R147 PolarHBondContact O-NH1 2.79Å
87L94.6Very high94.4Very high22 Ų2247.5 Ų47.512%0.11524%0.239CC..  trans-70.5142.3-179.9-66.6179.4000110.5Y85 P89 I132 K140 V143 A144Y85-L87 PolarHBondContact O-N 3.37Å; L87-P89 WeakPolarHBondContact O-CD 3.41Å; L87-I132 HydrophobicContact CB-CG2 3.98Å; L87-I132 HydrophobicContact CD1-CD1 4.15Å; L87-I132 HydrophobicContact CD1-CG2 3.76Å; L87-K140 HydrophobicContact CD1-CB 3.88Å; L87-K140 HydrophobicContact CD1-CG 4.2Å; L87-K140 WeakPolarHBondContact CD1-O 3.48Å; L87-V143 HydrophobicContact CD1-CB 4.2Å; L87-V143 HydrophobicContact CD1-CG1 4.2Å; L87-V143 HydrophobicContact CD2-CB 4.44Å; L87-V143 HydrophobicContact CD2-CG1 3.88Å; L87-A144 HydrophobicContact CD2-CB 3.98Å; L87-A144 HydrophobicContact CG-CB 4.41Å
88F95.2Very high94.7Very high64 Ų6441.3 Ų41.328%0.28121%0.212SC..  trans-75.5109.5176.6-56.8-59.1000109.4H90 L91 N96 F99F88-H90 PolarHBondContact O-N 2.95Å; F88-L91 HydrophobicContact CB-CB 4.15Å; F88-L91 HydrophobicContact CB-CD1 3.86Å; F88-L91 HydrophobicContact CB-CG 3.94Å; F88-L91 HydrophobicContact CD2-CD1 3.83Å; F88-L91 HydrophobicContact CG-CD1 4.13Å; F88-L91 PolarHBondContact O-N 3.45Å; F88-N96 WeakPolarHBondContact CD2-OD1 3.47Å; F88-N96 PolarHBondContact N-OD1 3.04Å; F88-N96 PolarHBondContact O-ND2 3.39Å; F88-F99 HydrophobicContact CE2-CB 4.26Å; F88-F99 AromaticContact CE2-CD1 3.83Å; F88-F99 HydrophobicContact CE2-CD1 3.83Å; F88-F99 HydrophobicContact CE2-CD2 4.1Å; F88-F99 HydrophobicContact CE2-CE1 4.15Å; F88-F99 HydrophobicContact CE2-CE2 4.42Å; F88-F99 AromaticContact CE2-CG 3.8Å; F88-F99 HydrophobicContact CE2-CG 3.8Å; F88-F99 HydrophobicContact CE2-CZ 4.44Å; F88-F99 HydrophobicContact CZ-CD1 4.23Å; F88-F99 HydrophobicContact CZ-CE1 4.13Å; F88-F99 HydrophobicContact CZ-CZ 4.39Å
89P93.8Very high94.7Very high72 Ų7244.9 Ų44.947%0.46823%0.227SC..THydrogen-bonded Turntrans-71.9-15.9-170.429.3-36.3000113.3L87L87-P89 WeakPolarHBondContact O-CD 3.41Å
90H94.9Very high94.6Very high144 Ų14443.5 Ų43.567%0.66722%0.224SC*.THydrogen-bonded Turntrans-90.9-7179.161.7-84000113.3F88F88-H90 PolarHBondContact O-N 2.95Å
91L96.3Very high94.6Very high38 Ų3842.9 Ų42.920%0.19922%0.22CC..SBendtrans-105.2151.5177.4-61.5-175.2000109.7F88 D95 N96 F99 I132F88-L91 HydrophobicContact CB-CB 4.15Å; F88-L91 HydrophobicContact CB-CD1 3.86Å; F88-L91 HydrophobicContact CB-CG 3.94Å; F88-L91 HydrophobicContact CD2-CD1 3.83Å; F88-L91 HydrophobicContact CG-CD1 4.13Å; F88-L91 PolarHBondContact O-N 3.45Å; L91-D95 HydrophobicContact CB-CB 3.84Å; L91-D95 HydrophobicContact CD1-CB 4.24Å; L91-D95 HydrophobicContact CD2-CB 4.19Å; L91-D95 HydrophobicContact CG-CB 4.3Å; L91-N96 WeakPolarHBondContact CB-ND2 3.18Å; L91-N96 PolarHBondContact O-ND2 3.04Å; L91-F99 HydrophobicContact CD1-CD2 4.31Å; L91-I132 WeakPolarHBondContact O-CG1 3.47Å
92N97.3Very high94.7Very high46 Ų4647.3 Ų47.325%0.24624%0.239CC..BIsolated β-bridgetrans-75.5178.9169.260.746.1000110.7Y94 D95 N96 E128 R130N92-Y94 WeakPolarHBondContact OD1-CB 3.42Å; N92-Y94 PolarHBondContact OD1-N 2.88Å; N92-Y94 VanDerWaalsContact OD1-N 3.11Å; N92-D95 PolarHBondContact ND2-OD2 3.35Å; N92-D95 PolarHBondContact O-N 3.37Å; N92-D95 WeakPolarHBondContact OD1-CB 3.36Å; N92-D95 PolarHBondContact OD1-N 3.16Å; N92-D95 PolarHBondContact OD1-OD2 3.31Å; N92-N96 WeakPolarHBondContact O-CB 3.34Å; N92-N96 PolarHBondContact O-N 2.92Å; N92-N96 PolarHBondContact O-ND2 3Å; N92-E128 PolarHBondContact OD1-O 3.22Å; N92-R130 WeakPolarHBondContact CA-O 3.45Å; N92-R130 VanDerWaalsContact CB-O 3.32Å; N92-R130 WeakPolarHBondContact CB-O 3.23Å
93V97.9Very high94.7Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-56.6-49.9177.8173.40000112.1D95 N96 I97 L119 Y127 R130 I132 M135 V143V93-D95 PolarHBondContact O-N 3.31Å; V93-N96 PolarHBondContact O-N 2.88Å; V93-I97 HydrophobicContact CG1-CD1 3.81Å; V93-I97 WeakPolarHBondContact O-CG1 3.44Å; V93-I97 PolarHBondContact O-N 3.35Å; V93-I97 VanDerWaalsContact O-N 3.1Å; V93-L119 HydrophobicContact CG1-CD2 3.68Å; V93-Y127 VanDerWaalsContact CB-O 3.32Å; V93-Y127 WeakPolarHBondContact CB-O 3.44Å; V93-Y127 WeakPolarHBondContact CG2-O 3.42Å; V93-R130 HydrophobicContact CG2-CB 4.2Å; V93-R130 PolarHBondContact N-O 3.12Å; V93-R130 VanDerWaalsContact N-O 3.1Å; V93-I132 HydrophobicContact CG2-CD1 3.94Å; V93-M135 HydrophobicContact CG2-CE 3.92Å; V93-M135 HydrophobicContact CG2-SD 3.44Å; V93-M135 WeakPolarHBondContact CG2-SD 3.35Å; V93-V143 HydrophobicContact CG1-CG1 4.21Å; V93-V143 HydrophobicContact CG1-CG2 3.84Å; V93-V143 HydrophobicContact CG2-CG2 4.02Å
94Y98.4Very high94.8Very high45 Ų4551.3 Ų51.318%0.17626%0.26CS..Hα-helixtrans-58.6-46.8179.9172-82.2000111.6N92 N96 I97 A98 I111 D112 V115 E128N92-Y94 WeakPolarHBondContact OD1-CB 3.42Å; N92-Y94 PolarHBondContact OD1-N 2.88Å; N92-Y94 VanDerWaalsContact OD1-N 3.11Å; Y94-N96 VanDerWaalsContact C-N 3.34Å; Y94-N96 PolarHBondContact O-N 2.9Å; Y94-I97 PolarHBondContact O-N 3.39Å; Y94-A98 HydrophobicContact CD1-CB 4.31Å; Y94-A98 HydrophobicContact CE1-CB 3.98Å; Y94-A98 WeakPolarHBondContact O-CB 3.29Å; Y94-A98 PolarHBondContact O-N 2.97Å; Y94-I111 WeakPolarHBondContact OH-CG2 3.38Å; Y94-D112 VanDerWaalsContact CE2-OD1 3.32Å; Y94-D112 WeakPolarHBondContact CE2-OD1 3.32Å; Y94-D112 VanDerWaalsContact CZ-OD1 3.27Å; Y94-D112 PolarHBondContact OH-OD1 3.42Å; Y94-V115 HydrophobicContact CD2-CB 4.19Å; Y94-V115 HydrophobicContact CD2-CG1 3.55Å; Y94-V115 HydrophobicContact CD2-CG2 4.45Å; Y94-V115 HydrophobicContact CE2-CB 4.16Å; Y94-V115 HydrophobicContact CE2-CG1 4.04Å; Y94-V115 HydrophobicContact CE2-CG2 4.25Å; Y94-V115 HydrophobicContact CG-CG1 4.28Å; Y94-E128 VanDerWaalsContact CB-O 3.25Å; Y94-E128 WeakPolarHBondContact CB-O 3.25Å; Y94-E128 PolarHBondContact N-O 3.17Å
95D97.7Very high95.1Very high39 Ų3954.6 Ų54.621%0.20927%0.269CS..Hα-helixtrans-70.3-32-176.5-75.3-45.1000112.2L91 N92 V93 F99 K102L91-D95 HydrophobicContact CB-CB 3.84Å; L91-D95 HydrophobicContact CD1-CB 4.24Å; L91-D95 HydrophobicContact CD2-CB 4.19Å; L91-D95 HydrophobicContact CG-CB 4.3Å; N92-D95 PolarHBondContact ND2-OD2 3.35Å; N92-D95 PolarHBondContact O-N 3.37Å; N92-D95 WeakPolarHBondContact OD1-CB 3.36Å; N92-D95 PolarHBondContact OD1-N 3.16Å; N92-D95 PolarHBondContact OD1-OD2 3.31Å; V93-D95 PolarHBondContact O-N 3.31Å; D95-F99 WeakPolarHBondContact O-CB 3.43Å; D95-F99 PolarHBondContact O-N 3.5Å; D95-K102 IonicContact OD1-NZ 2.65Å; D95-K102 PolarHBondContact OD1-NZ 3.05Å
96N97.8Very high95.4Very high0 Ų056.2 Ų56.20%028%0.278CS..Hα-helixtrans-61.4-50.6169.9-93.7-83.5000111.5F88 L91 N92 V93 Y94 F99 I132 V143 R147F88-N96 WeakPolarHBondContact CD2-OD1 3.47Å; F88-N96 PolarHBondContact N-OD1 3.04Å; F88-N96 PolarHBondContact O-ND2 3.39Å; L91-N96 WeakPolarHBondContact CB-ND2 3.18Å; L91-N96 PolarHBondContact O-ND2 3.04Å; N92-N96 WeakPolarHBondContact O-CB 3.34Å; N92-N96 PolarHBondContact O-N 2.92Å; N92-N96 PolarHBondContact O-ND2 3Å; V93-N96 PolarHBondContact O-N 2.88Å; Y94-N96 VanDerWaalsContact C-N 3.34Å; Y94-N96 PolarHBondContact O-N 2.9Å; N96-F99 WeakPolarHBondContact O-CB 3.19Å; N96-I132 WeakPolarHBondContact ND2-CG1 3Å; N96-V143 HydrophobicContact CB-CG1 4.32Å; N96-R147 WeakPolarHBondContact O-CD 3.21Å; N96-R147 WeakPolarHBondContact O-CG 3.41Å
97I97.6Very high95.7Very high0 Ų057 Ų570%028%0.282CS..Hα-helixtrans-69.3-44.8-177.7-61.5167.8000110.3V93 Y94 F99 V115 A118 L119 V143 A146 R147 V150V93-I97 HydrophobicContact CG1-CD1 3.81Å; V93-I97 WeakPolarHBondContact O-CG1 3.44Å; V93-I97 PolarHBondContact O-N 3.35Å; V93-I97 VanDerWaalsContact O-N 3.1Å; Y94-I97 PolarHBondContact O-N 3.39Å; I97-F99 PolarHBondContact O-N 2.79Å; I97-V115 HydrophobicContact CB-CG1 4.28Å; I97-V115 HydrophobicContact CB-CG2 4.43Å; I97-V115 HydrophobicContact CG2-CB 4.37Å; I97-V115 HydrophobicContact CG2-CG1 4.15Å; I97-V115 HydrophobicContact CG2-CG2 3.99Å; I97-A118 HydrophobicContact CG2-CB 4.28Å; I97-L119 HydrophobicContact CD1-CD1 4.38Å; I97-L119 HydrophobicContact CD1-CD2 3.46Å; I97-L119 VanDerWaalsContact CD1-CD2 3.46Å; I97-L119 HydrophobicContact CD1-CG 3.73Å; I97-V143 HydrophobicContact CG1-CG1 4.28Å; I97-A146 HydrophobicContact CD1-CB 3.65Å; I97-A146 HydrophobicContact CG1-CB 3.99Å; I97-R147 HydrophobicContact CG1-CB 4.4Å; I97-V150 HydrophobicContact CG2-CB 3.84Å; I97-V150 HydrophobicContact CG2-CG1 3.89Å; I97-V150 HydrophobicContact CG2-CG2 3.89Å; I97-V150 WeakPolarHBondContact O-CG1 3.37Å
98A97.8Very high95.8Very high0 Ų063.3 Ų63.30%031%0.308CS..Hα-helixtrans-68.2-15.2-178.300000114Y94 G100 L101 K102 I111 V115Y94-A98 HydrophobicContact CD1-CB 4.31Å; Y94-A98 HydrophobicContact CE1-CB 3.98Å; Y94-A98 WeakPolarHBondContact O-CB 3.29Å; Y94-A98 PolarHBondContact O-N 2.97Å; A98-G100 PolarHBondContact O-N 3.01Å; A98-L101 PolarHBondContact O-N 2.86Å; A98-L101 VanDerWaalsContact O-N 3.12Å; A98-K102 HydrophobicContact CB-CD 4.43Å; A98-K102 WeakPolarHBondContact O-CG 3.33Å; A98-K102 PolarHBondContact O-N 3.15Å; A98-I111 HydrophobicContact CB-CG2 3.65Å; A98-V115 HydrophobicContact CB-CG2 3.86Å
99F96.1Very high95.9Very high85 Ų8564.6 Ų64.637%0.37332%0.321SS..Hα-helixtrans-53.7-51.4-170.7-173.4-96.4000113F88 L91 D95 N96 I97 L101 K102 L103F88-F99 HydrophobicContact CE2-CB 4.26Å; F88-F99 AromaticContact CE2-CD1 3.83Å; F88-F99 HydrophobicContact CE2-CD1 3.83Å; F88-F99 HydrophobicContact CE2-CD2 4.1Å; F88-F99 HydrophobicContact CE2-CE1 4.15Å; F88-F99 HydrophobicContact CE2-CE2 4.42Å; F88-F99 AromaticContact CE2-CG 3.8Å; F88-F99 HydrophobicContact CE2-CG 3.8Å; F88-F99 HydrophobicContact CE2-CZ 4.44Å; F88-F99 HydrophobicContact CZ-CD1 4.23Å; F88-F99 HydrophobicContact CZ-CE1 4.13Å; F88-F99 HydrophobicContact CZ-CZ 4.39Å; L91-F99 HydrophobicContact CD1-CD2 4.31Å; D95-F99 WeakPolarHBondContact O-CB 3.43Å; D95-F99 PolarHBondContact O-N 3.5Å; N96-F99 WeakPolarHBondContact O-CB 3.19Å; I97-F99 PolarHBondContact O-N 2.79Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 PolarHBondContact O-N 3.39Å; F99-K102 PolarHBondContact O-N 3.38Å; F99-L103 HydrophobicContact CD1-CD1 4.03Å; F99-L103 HydrophobicContact CE1-CD1 3.57Å; F99-L103 HydrophobicContact CE1-CG 4.32Å; F99-L103 HydrophobicContact CZ-CD1 4.18Å; F99-L103 PolarHBondContact O-N 3.26Å
100G92.9Very high96Very high16 Ų1665 Ų6517%0.16532%0.317CS..Hα-helixtrans-63.8-37.1179.300000113.1A98 L103 K104A98-G100 PolarHBondContact O-N 3.01Å; G100-L103 PolarHBondContact O-N 3Å; G100-K104 PolarHBondContact O-N 3.39Å; G100-K104 VanDerWaalsContact O-N 3.15Å
101L95.2Very high96.2Very high2 Ų258.7 Ų58.71%0.0129%0.288CS..Hα-helixtrans-68.7-38.4177.7-55.9-174.3000112.5A98 F99 L103 K104 K105 L106 I111 K114 V115 V150A98-L101 PolarHBondContact O-N 2.86Å; A98-L101 VanDerWaalsContact O-N 3.12Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 PolarHBondContact O-N 3.39Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 2.94Å; L101-K104 CarbonylContact O-C 3.57Å; L101-K104 WeakPolarHBondContact O-CB 3.38Å; L101-K104 PolarHBondContact O-N 3.31Å; L101-K105 PolarHBondContact O-N 3.06Å; L101-L106 HydrophobicContact CB-CD1 4.33Å; L101-L106 HydrophobicContact CD2-CD1 4.02Å; L101-L106 PolarHBondContact O-N 3.28Å; L101-I111 HydrophobicContact CB-CD1 4.47Å; L101-I111 HydrophobicContact CB-CG1 3.85Å; L101-I111 HydrophobicContact CD1-CB 4.4Å; L101-I111 HydrophobicContact CD1-CG1 4.3Å; L101-I111 HydrophobicContact CD1-CG2 4.3Å; L101-K114 HydrophobicContact CD1-CB 3.71Å; L101-K114 HydrophobicContact CD1-CD 3.96Å; L101-K114 HydrophobicContact CD1-CG 4.47Å; L101-K114 HydrophobicContact CD2-CD 4.1Å; L101-V115 HydrophobicContact CD1-CG2 4.45Å; L101-V150 HydrophobicContact CD1-CG2 3.71Å; L101-V150 HydrophobicContact CD2-CG2 4.41Å; L101-V150 HydrophobicContact CG-CG1 4.44Å; L101-V150 HydrophobicContact CG-CG2 4.18Å
102K95.5Very high96.2Very high93 Ų9359.5 Ų59.540%0.40429%0.293SS..Hα-helixtrans-61.9-40174.7-71.4175.2-175.4175.50111.1D95 A98 F99 K104 K105 I111D95-K102 IonicContact OD1-NZ 2.65Å; D95-K102 PolarHBondContact OD1-NZ 3.05Å; A98-K102 HydrophobicContact CB-CD 4.43Å; A98-K102 WeakPolarHBondContact O-CG 3.33Å; A98-K102 PolarHBondContact O-N 3.15Å; F99-K102 PolarHBondContact O-N 3.38Å; K102-K104 VanDerWaalsContact C-N 3.32Å; K102-K104 PolarHBondContact O-N 3.38Å; K102-K105 WeakPolarHBondContact O-CA 3.48Å; K102-K105 PolarHBondContact O-N 2.86Å; K102-I111 HydrophobicContact CG-CD1 3.9Å
103L92.7Very high96.2Very high122 Ų12263.2 Ų63.264%0.63931%0.309SS*.Hα-helixtrans-65.2-34.6175-68.1178.4000112.6F99 G100 L101 K105F99-L103 HydrophobicContact CD1-CD1 4.03Å; F99-L103 HydrophobicContact CE1-CD1 3.57Å; F99-L103 HydrophobicContact CE1-CG 4.32Å; F99-L103 HydrophobicContact CZ-CD1 4.18Å; F99-L103 PolarHBondContact O-N 3.26Å; G100-L103 PolarHBondContact O-N 3Å; L101-L103 VanDerWaalsContact C-N 3.31Å; L101-L103 PolarHBondContact O-N 2.94Å; L103-K105 PolarHBondContact O-N 3.18Å
104K91Very high96.2Very high116 Ų11665.3 Ų65.350%0.50432%0.318SS..THydrogen-bonded Turntrans-72.1-3.8171.7-69.3175178.1169.40113.5G100 L101 K102 L106 N151G100-K104 PolarHBondContact O-N 3.39Å; G100-K104 VanDerWaalsContact O-N 3.15Å; L101-K104 CarbonylContact O-C 3.57Å; L101-K104 WeakPolarHBondContact O-CB 3.38Å; L101-K104 PolarHBondContact O-N 3.31Å; K102-K104 VanDerWaalsContact C-N 3.32Å; K102-K104 PolarHBondContact O-N 3.38Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 HydrophobicContact CB-CG 4.3Å; K104-L106 PolarHBondContact O-N 3.28Å; K104-N151 PolarHBondContact NZ-O 3.31Å; K104-N151 PolarHBondContact NZ-OD1 2.95Å
105K94.2Very high96.2Very high189 Ų18963.2 Ų63.282%0.82231%0.309SS*.THydrogen-bonded Turntrans57.334.3179.8-54.8-179.3-178.9178.10113.7L101 K102 L103L101-K105 PolarHBondContact O-N 3.06Å; K102-K105 WeakPolarHBondContact O-CA 3.48Å; K102-K105 PolarHBondContact O-N 2.86Å; L103-K105 PolarHBondContact O-N 3.18Å
106L95.1Very high96.1Very high52 Ų5265 Ų6527%0.27232%0.322SS..  trans-64.9156.6171.3-63.2-172.3000110.9L101 K104 E110 I111 K114L101-L106 HydrophobicContact CB-CD1 4.33Å; L101-L106 HydrophobicContact CD2-CD1 4.02Å; L101-L106 PolarHBondContact O-N 3.28Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 HydrophobicContact CB-CG 4.3Å; K104-L106 PolarHBondContact O-N 3.28Å; L106-E110 HydrophobicContact CB-CB 4.31Å; L106-I111 HydrophobicContact CB-CD1 4.49Å; L106-I111 HydrophobicContact CB-CG1 4.02Å; L106-K114 HydrophobicContact CD1-CD 4.21Å
107S97.3Very high96Very high53 Ų5370.6 Ų70.637%0.37135%0.348SS..  trans-65.6153.2176.2710000110.9T109 E110 I111S107-T109 PolarHBondContact O-N 2.98Å; S107-E110 VanDerWaalsContact CB-OE2 3.26Å; S107-E110 WeakPolarHBondContact CB-OE2 3.29Å; S107-E110 PolarHBondContact N-OE2 3.16Å; S107-E110 PolarHBondContact O-N 2.93Å; S107-E110 VanDerWaalsContact O-N 3.11Å; S107-E110 VanDerWaalsContact OG-CG 3.25Å; S107-E110 WeakPolarHBondContact OG-CG 3.36Å; S107-E110 PolarHBondContact OG-N 3.5Å; S107-E110 PolarHBondContact OG-OE2 2.92Å; S107-I111 WeakPolarHBondContact O-CG1 3.47Å; S107-I111 PolarHBondContact O-N 3.16Å
108K96.8Very high96Very high154 Ų15470.8 Ų70.867%0.6735%0.35SS*.Hα-helixtrans-55.2-39.9177.4-176.3177.1176.9-177.10111.9I111 D112K108-I111 PolarHBondContact O-N 2.99Å; K108-D112 WeakPolarHBondContact O-CB 3.49Å; K108-D112 VanDerWaalsContact O-CG 3.22Å; K108-D112 PolarHBondContact O-N 2.71Å
109T97.5Very high95.9Very high90 Ų9070.8 Ų70.855%0.55235%0.35SS*.Hα-helixtrans-61.3-45.2177.7-51.10000112S107 D112 Q113S107-T109 PolarHBondContact O-N 2.98Å; T109-D112 PolarHBondContact O-N 2.74Å; T109-Q113 VanDerWaalsContact O-CG 3.29Å; T109-Q113 WeakPolarHBondContact O-CG 3.49Å; T109-Q113 PolarHBondContact O-N 3.37Å
110E97.1Very high95.9Very high82 Ų8273 Ų7338%0.38336%0.359SS..Hα-helixtrans-65.9-39.3177.1-71.2166.5115.900111.8L106 S107 Q113 K114L106-E110 HydrophobicContact CB-CB 4.31Å; S107-E110 VanDerWaalsContact CB-OE2 3.26Å; S107-E110 WeakPolarHBondContact CB-OE2 3.29Å; S107-E110 PolarHBondContact N-OE2 3.16Å; S107-E110 PolarHBondContact O-N 2.93Å; S107-E110 VanDerWaalsContact O-N 3.11Å; S107-E110 VanDerWaalsContact OG-CG 3.25Å; S107-E110 WeakPolarHBondContact OG-CG 3.36Å; S107-E110 PolarHBondContact OG-N 3.5Å; S107-E110 PolarHBondContact OG-OE2 2.92Å; E110-Q113 PolarHBondContact O-N 3.27Å; E110-K114 WeakPolarHBondContact O-CG 3.3Å; E110-K114 PolarHBondContact O-N 3.45Å
111I97.6Very high95.9Very high11 Ų1173.5 Ų73.56%0.05636%0.358CS..Hα-helixtrans-61.3-50.3175.6-66.1170.2000110.1Y94 A98 L101 K102 L106 S107 K108 Q113 K114 V115Y94-I111 WeakPolarHBondContact OH-CG2 3.38Å; A98-I111 HydrophobicContact CB-CG2 3.65Å; L101-I111 HydrophobicContact CB-CD1 4.47Å; L101-I111 HydrophobicContact CB-CG1 3.85Å; L101-I111 HydrophobicContact CD1-CB 4.4Å; L101-I111 HydrophobicContact CD1-CG1 4.3Å; L101-I111 HydrophobicContact CD1-CG2 4.3Å; K102-I111 HydrophobicContact CG-CD1 3.9Å; L106-I111 HydrophobicContact CB-CD1 4.49Å; L106-I111 HydrophobicContact CB-CG1 4.02Å; S107-I111 WeakPolarHBondContact O-CG1 3.47Å; S107-I111 PolarHBondContact O-N 3.16Å; K108-I111 PolarHBondContact O-N 2.99Å; I111-Q113 VanDerWaalsContact C-N 3.28Å; I111-Q113 PolarHBondContact O-N 2.93Å; I111-K114 PolarHBondContact O-N 3.39Å; I111-V115 HydrophobicContact CG2-CG2 4.07Å; I111-V115 WeakPolarHBondContact O-CB 3.32Å; I111-V115 WeakPolarHBondContact O-CG2 3.48Å; I111-V115 PolarHBondContact O-N 2.85Å
112D97.4Very high95.8Very high55 Ų5573.9 Ų73.929%0.29436%0.36SS..Hα-helixtrans-58.9-41.8-179.1-71.8-21.1000111.2Y94 K108 T109 T116Y94-D112 VanDerWaalsContact CE2-OD1 3.32Å; Y94-D112 WeakPolarHBondContact CE2-OD1 3.32Å; Y94-D112 VanDerWaalsContact CZ-OD1 3.27Å; Y94-D112 PolarHBondContact OH-OD1 3.42Å; K108-D112 WeakPolarHBondContact O-CB 3.49Å; K108-D112 VanDerWaalsContact O-CG 3.22Å; K108-D112 PolarHBondContact O-N 2.71Å; T109-D112 PolarHBondContact O-N 2.74Å; D112-T116 VanDerWaalsContact O-CB 3.31Å; D112-T116 WeakPolarHBondContact O-CB 3.47Å; D112-T116 PolarHBondContact O-N 3.16Å; D112-T116 PolarHBondContact O-OG1 3.36Å
113Q97.2Very high95.7Very high124 Ų12474.3 Ų74.358%0.57936%0.362SS*.Hα-helixtrans-62.9-54.8176.8-74.4172.5-8.600111.9T109 E110 I111 V115 T116 E117T109-Q113 VanDerWaalsContact O-CG 3.29Å; T109-Q113 WeakPolarHBondContact O-CG 3.49Å; T109-Q113 PolarHBondContact O-N 3.37Å; E110-Q113 PolarHBondContact O-N 3.27Å; I111-Q113 VanDerWaalsContact C-N 3.28Å; I111-Q113 PolarHBondContact O-N 2.93Å; Q113-V115 PolarHBondContact O-N 3.42Å; Q113-T116 PolarHBondContact O-N 3.21Å; Q113-E117 PolarHBondContact O-N 3.2Å
114K97.4Very high95.9Very high44 Ų4468.7 Ų68.719%0.19133%0.333CS..Hα-helixtrans-63-39.4-178.1-74.2179.9-179.7-88.10112.5L101 L106 E110 I111 E117 A118 V150 E152L101-K114 HydrophobicContact CD1-CB 3.71Å; L101-K114 HydrophobicContact CD1-CD 3.96Å; L101-K114 HydrophobicContact CD1-CG 4.47Å; L101-K114 HydrophobicContact CD2-CD 4.1Å; L106-K114 HydrophobicContact CD1-CD 4.21Å; E110-K114 WeakPolarHBondContact O-CG 3.3Å; E110-K114 PolarHBondContact O-N 3.45Å; I111-K114 PolarHBondContact O-N 3.39Å; K114-E117 PolarHBondContact O-N 3.48Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.94Å; K114-V150 HydrophobicContact CB-CG2 3.85Å; K114-E152 IonicContact NZ-OE1 2.81Å; K114-E152 PolarHBondContact NZ-OE1 2.99Å; K114-E152 IonicContact NZ-OE2 3.21Å; K114-E152 PolarHBondContact NZ-OE2 3.43Å
115V97.7Very high96.1Very high0 Ų066.6 Ų66.60%033%0.332CS..Hα-helixtrans-65.2-43.3176.8174.30000111Y94 I97 A98 L101 I111 Q113 E117 A118 L119Y94-V115 HydrophobicContact CD2-CB 4.19Å; Y94-V115 HydrophobicContact CD2-CG1 3.55Å; Y94-V115 HydrophobicContact CD2-CG2 4.45Å; Y94-V115 HydrophobicContact CE2-CB 4.16Å; Y94-V115 HydrophobicContact CE2-CG1 4.04Å; Y94-V115 HydrophobicContact CE2-CG2 4.25Å; Y94-V115 HydrophobicContact CG-CG1 4.28Å; I97-V115 HydrophobicContact CB-CG1 4.28Å; I97-V115 HydrophobicContact CB-CG2 4.43Å; I97-V115 HydrophobicContact CG2-CB 4.37Å; I97-V115 HydrophobicContact CG2-CG1 4.15Å; I97-V115 HydrophobicContact CG2-CG2 3.99Å; A98-V115 HydrophobicContact CB-CG2 3.86Å; L101-V115 HydrophobicContact CD1-CG2 4.45Å; I111-V115 HydrophobicContact CG2-CG2 4.07Å; I111-V115 WeakPolarHBondContact O-CB 3.32Å; I111-V115 WeakPolarHBondContact O-CG2 3.48Å; I111-V115 PolarHBondContact O-N 2.85Å; Q113-V115 PolarHBondContact O-N 3.42Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.91Å; V115-A118 PolarHBondContact O-N 2.91Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.48Å; V115-L119 WeakPolarHBondContact O-CB 3.38Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.32Å
116T97.1Very high96.1Very high78 Ų7860.4 Ų60.448%0.47932%0.322SS..Hα-helixtrans-62-42.5177.7-58.50000111.2D112 Q113 K120D112-T116 VanDerWaalsContact O-CB 3.31Å; D112-T116 WeakPolarHBondContact O-CB 3.47Å; D112-T116 PolarHBondContact O-N 3.16Å; D112-T116 PolarHBondContact O-OG1 3.36Å; Q113-T116 PolarHBondContact O-N 3.21Å; T116-K120 WeakPolarHBondContact O-CB 3.36Å; T116-K120 PolarHBondContact O-N 3.26Å
117E95.9Very high96.2Very high117 Ų11760.8 Ų60.855%0.54732%0.321SS..Hα-helixtrans-65-47176.6-176170.3-163.600112Q113 K114 V115 L119 K120 L121Q113-E117 PolarHBondContact O-N 3.2Å; K114-E117 PolarHBondContact O-N 3.48Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.91Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.11Å; E117-K120 WeakPolarHBondContact O-CB 3.22Å; E117-K120 PolarHBondContact O-N 3.34Å; E117-K120 VanDerWaalsContact O-N 3.11Å; E117-L121 HydrophobicContact CG-CD1 4.46Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.16Å
118A96.2Very high96.1Very high4 Ų460.8 Ų60.83%0.03332%0.315CS..Hα-helixtrans-59.3-43.4177.400000111.7I97 K114 V115 K120 L121 V122 A146 I149 V150I97-A118 HydrophobicContact CG2-CB 4.28Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.94Å; V115-A118 PolarHBondContact O-N 2.91Å; A118-K120 VanDerWaalsContact C-N 3.33Å; A118-K120 PolarHBondContact O-N 2.89Å; A118-L121 WeakPolarHBondContact O-CB 3.19Å; A118-L121 PolarHBondContact O-N 3.46Å; A118-V122 WeakPolarHBondContact O-CG2 3.29Å; A118-V122 PolarHBondContact O-N 2.97Å; A118-A146 HydrophobicContact CB-CB 4.23Å; A118-I149 HydrophobicContact CB-CG1 4.4Å; A118-V150 HydrophobicContact CB-CB 4.09Å; A118-V150 HydrophobicContact CB-CG2 4.13Å
119L96.9Very high96.1Very high0 Ų062.6 Ų62.60%032%0.323CS..Hα-helixtrans-64.3-36.5175.7-77171.8000112.9V93 I97 V115 E117 K123 L124 E128V93-L119 HydrophobicContact CG1-CD2 3.68Å; I97-L119 HydrophobicContact CD1-CD1 4.38Å; I97-L119 HydrophobicContact CD1-CD2 3.46Å; I97-L119 VanDerWaalsContact CD1-CD2 3.46Å; I97-L119 HydrophobicContact CD1-CG 3.73Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.48Å; V115-L119 WeakPolarHBondContact O-CB 3.38Å; V115-L119 WeakPolarHBondContact O-CG 3.48Å; V115-L119 PolarHBondContact O-N 3.32Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-L119 PolarHBondContact O-N 3.11Å; L119-K123 PolarHBondContact O-N 2.86Å; L119-L124 HydrophobicContact CD2-CB 3.79Å; L119-L124 PolarHBondContact O-N 3.19Å; L119-E128 HydrophobicContact CD1-CB 4.44Å; L119-E128 HydrophobicContact CD1-CG 3.57Å
120K95.2Very high96Very high130 Ų13063.6 Ų63.657%0.56532%0.316SS*.Hα-helixtrans-65.4-41174.7-175.2-177.9178.6-175.90111.5T116 E117 A118 V122 K123 S125T116-K120 WeakPolarHBondContact O-CB 3.36Å; T116-K120 PolarHBondContact O-N 3.26Å; E117-K120 WeakPolarHBondContact O-CB 3.22Å; E117-K120 PolarHBondContact O-N 3.34Å; E117-K120 VanDerWaalsContact O-N 3.11Å; A118-K120 VanDerWaalsContact C-N 3.33Å; A118-K120 PolarHBondContact O-N 2.89Å; K120-V122 VanDerWaalsContact C-N 3.34Å; K120-V122 PolarHBondContact O-N 3.36Å; K120-K123 PolarHBondContact O-N 3.44Å; K120-S125 WeakPolarHBondContact CA-OG 3.3Å
121L93.7Very high96Very high28 Ų2862.6 Ų62.615%0.14731%0.314CS..Hα-helixtrans-61.4-42178.2-72.6168.9000111.9E117 A118 K123 I149 L180 R183 L184E117-L121 HydrophobicContact CG-CD1 4.46Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.16Å; A118-L121 WeakPolarHBondContact O-CB 3.19Å; A118-L121 PolarHBondContact O-N 3.46Å; L121-K123 VanDerWaalsContact C-N 3.29Å; L121-K123 PolarHBondContact O-N 3.16Å; L121-I149 HydrophobicContact CB-CD1 4.2Å; L121-I149 HydrophobicContact CD1-CD1 3.98Å; L121-L180 HydrophobicContact CB-CD1 4.01Å; L121-R183 HydrophobicContact CD2-CG 4.43Å; L121-R183 VanDerWaalsContact CD2-CZ 3.41Å; L121-L184 HydrophobicContact CD1-CD2 3.99Å
122V93.4Very high95.9Very high9 Ų962.4 Ų62.46%0.05531%0.313CS..THydrogen-bonded Turntrans-89.615.2179.2-54.40000113.9A118 K120 L124 R142 I145 A146 I149A118-V122 WeakPolarHBondContact O-CG2 3.29Å; A118-V122 PolarHBondContact O-N 2.97Å; K120-V122 VanDerWaalsContact C-N 3.34Å; K120-V122 PolarHBondContact O-N 3.36Å; V122-L124 VanDerWaalsContact C-N 3.28Å; V122-L124 HydrophobicContact CG2-CB 4.02Å; V122-L124 HydrophobicContact CG2-CD1 4.06Å; V122-L124 HydrophobicContact CG2-CG 4.01Å; V122-L124 PolarHBondContact O-N 3.28Å; V122-R142 HydrophobicContact CB-CB 4.04Å; V122-R142 HydrophobicContact CB-CG 4.37Å; V122-R142 HydrophobicContact CG2-CB 4.22Å; V122-R142 WeakPolarHBondContact O-CD 3.39Å; V122-I145 HydrophobicContact CG1-CB 4.38Å; V122-I145 HydrophobicContact CG1-CG2 4.01Å; V122-A146 HydrophobicContact CG1-CB 4.03Å; V122-A146 HydrophobicContact CG2-CB 3.83Å; V122-I149 HydrophobicContact CG1-CD1 4.22Å
123K93.1Very high95.7Very high103 Ų10365.1 Ų65.145%0.44833%0.327SS..THydrogen-bonded Turntrans55.637.5178-55.4172.3-173.2166.10113.6L119 K120 L121 E176 E179L119-K123 PolarHBondContact O-N 2.86Å; K120-K123 PolarHBondContact O-N 3.44Å; L121-K123 VanDerWaalsContact C-N 3.29Å; L121-K123 PolarHBondContact O-N 3.16Å; K123-E176 IonicContact NZ-OE1 2.94Å; K123-E179 IonicContact NZ-OE2 2.84Å; K123-E179 PolarHBondContact NZ-OE2 3.25Å
124L95.5Very high95.4Very high3 Ų365.3 Ų65.32%0.01633%0.328CS..  trans-119.625.5177.8-68.4-175.5000113.5L119 V122 G126 Y127 M135 Q139 R142 V143L119-L124 HydrophobicContact CD2-CB 3.79Å; L119-L124 PolarHBondContact O-N 3.19Å; V122-L124 VanDerWaalsContact C-N 3.28Å; V122-L124 HydrophobicContact CG2-CB 4.02Å; V122-L124 HydrophobicContact CG2-CD1 4.06Å; V122-L124 HydrophobicContact CG2-CG 4.01Å; V122-L124 PolarHBondContact O-N 3.28Å; L124-G126 PolarHBondContact O-N 2.83Å; L124-Y127 HydrophobicContact CB-CG 4.41Å; L124-Y127 HydrophobicContact CD2-CD1 4.24Å; L124-Y127 HydrophobicContact CD2-CD2 4.39Å; L124-Y127 HydrophobicContact CD2-CE1 4.36Å; L124-Y127 HydrophobicContact CD2-CG 4.26Å; L124-Y127 WeakPolarHBondContact O-CB 3.42Å; L124-Y127 PolarHBondContact O-N 2.76Å; L124-Y127 VanDerWaalsContact O-N 3.13Å; L124-M135 HydrophobicContact CD1-CE 4.1Å; L124-Q139 HydrophobicContact CD2-CG 4.36Å; L124-R142 HydrophobicContact CD1-CB 3.57Å; L124-R142 HydrophobicContact CG-CB 4.08Å; L124-V143 HydrophobicContact CD1-CG2 3.57Å
125S95.2Very high95.2Very high72 Ų7263.8 Ų63.850%0.50332%0.322SS..THydrogen-bonded Turntrans-54.7132.2173.5-57.50000111.3K120K120-S125 WeakPolarHBondContact CA-OG 3.3Å
126G94.9Very high94.9Very high59 Ų5966.5 Ų66.561%0.60834%0.341SS*.THydrogen-bonded Turntrans90.5-1.9-177.300000115.1L124 E128L124-G126 PolarHBondContact O-N 2.83Å; G126-E128 WeakPolarHBondContact CA-OE2 3.17Å; G126-E128 PolarHBondContact N-OE1 2.82Å; G126-E128 PolarHBondContact N-OE2 2.88Å
127Y96.4Very high94.5Very high60 Ų6064.3 Ų64.324%0.23533%0.333CS..  trans-93.22.7179-77.6-118.2000113.6V93 L124 K129 R130 M135V93-Y127 VanDerWaalsContact CB-O 3.32Å; V93-Y127 WeakPolarHBondContact CB-O 3.44Å; V93-Y127 WeakPolarHBondContact CG2-O 3.42Å; L124-Y127 HydrophobicContact CB-CG 4.41Å; L124-Y127 HydrophobicContact CD2-CD1 4.24Å; L124-Y127 HydrophobicContact CD2-CD2 4.39Å; L124-Y127 HydrophobicContact CD2-CE1 4.36Å; L124-Y127 HydrophobicContact CD2-CG 4.26Å; L124-Y127 WeakPolarHBondContact O-CB 3.42Å; L124-Y127 PolarHBondContact O-N 2.76Å; L124-Y127 VanDerWaalsContact O-N 3.13Å; Y127-K129 PolarHBondContact O-N 2.82Å; Y127-R130 HydrophobicContact CD1-CG 4.19Å; Y127-R130 WeakPolarHBondContact O-CB 3.33Å; Y127-R130 PolarHBondContact O-N 3.04Å; Y127-M135 HydrophobicContact CD1-CE 4.07Å
128E96.2Very high94.2Very high53 Ų5358.8 Ų58.825%0.24831%0.308CS..THydrogen-bonded Turntrans-49.5-40.5-170.3-62.174.5-162.700112.8N92 Y94 L119 G126N92-E128 PolarHBondContact OD1-O 3.22Å; Y94-E128 VanDerWaalsContact CB-O 3.25Å; Y94-E128 WeakPolarHBondContact CB-O 3.25Å; Y94-E128 PolarHBondContact N-O 3.17Å; L119-E128 HydrophobicContact CD1-CB 4.44Å; L119-E128 HydrophobicContact CD1-CG 3.57Å; G126-E128 WeakPolarHBondContact CA-OE2 3.17Å; G126-E128 PolarHBondContact N-OE1 2.82Å; G126-E128 PolarHBondContact N-OE2 2.88Å
129K96Very high94.1Very high193 Ų19360.7 Ų60.784%0.83932%0.316SS*.THydrogen-bonded Turntrans-93.5-4.7-174.3-61.6-177-177.9177.10114.3Y127Y127-K129 PolarHBondContact O-N 2.82Å
130R96.1Very high93.9Very high110 Ų11063.5 Ų63.542%0.41533%0.328SS..  trans-67.8147.9-178.2-73.9-134.4-178.4-176.91.5111.5N92 V93 Y127N92-R130 WeakPolarHBondContact CA-O 3.45Å; N92-R130 VanDerWaalsContact CB-O 3.32Å; N92-R130 WeakPolarHBondContact CB-O 3.23Å; V93-R130 HydrophobicContact CG2-CB 4.2Å; V93-R130 PolarHBondContact N-O 3.12Å; V93-R130 VanDerWaalsContact N-O 3.1Å; Y127-R130 HydrophobicContact CD1-CG 4.19Å; Y127-R130 WeakPolarHBondContact O-CB 3.33Å; Y127-R130 PolarHBondContact O-N 3.04Å
131N96.1Very high93.8Very high62 Ų6257.3 Ų57.333%0.33230%0.301SS..BIsolated β-bridgetrans-80.9139.4172.4-169.2-55.7000109.7N133 E134N131-N133 PolarHBondContact O-N 3.41Å; N131-N133 WeakPolarHBondContact OD1-CB 3.49Å; N131-N133 PolarHBondContact OD1-N 3.18Å; N131-N133 PolarHBondContact OD1-ND2 3.32Å; N131-E134 HydrophobicContact CB-CG 4.06Å; N131-E134 PolarHBondContact N-OE2 3.03Å; N131-E134 WeakPolarHBondContact O-CB 2.99Å; N131-E134 PolarHBondContact O-N 3.4Å
132I95.5Very high93.8Very high7 Ų757.4 Ų57.44%0.03630%0.3CS..G310 helixtrans-56.7-33178.2-60.5-51000112.1L87 L91 V93 N96 E134 M135 K140 V143L87-I132 HydrophobicContact CB-CG2 3.98Å; L87-I132 HydrophobicContact CD1-CD1 4.15Å; L87-I132 HydrophobicContact CD1-CG2 3.76Å; L91-I132 WeakPolarHBondContact O-CG1 3.47Å; V93-I132 HydrophobicContact CG2-CD1 3.94Å; N96-I132 WeakPolarHBondContact ND2-CG1 3Å; I132-E134 PolarHBondContact O-N 3.05Å; I132-M135 HydrophobicContact CD1-SD 3.88Å; I132-M135 WeakPolarHBondContact O-CB 3.41Å; I132-M135 PolarHBondContact O-N 3.37Å; I132-K140 HydrophobicContact CG2-CD 4.47Å; I132-K140 HydrophobicContact CG2-CG 4.31Å; I132-K140 WeakPolarHBondContact O-CE 3.44Å; I132-V143 HydrophobicContact CD1-CG1 4.07Å
133N93.3Very high94Very high111 Ų11157 Ų5759%0.59430%0.297SS*.G310 helixtrans-70.1-15.1180-63.1-34.4000113.7N131N131-N133 PolarHBondContact O-N 3.41Å; N131-N133 WeakPolarHBondContact OD1-CB 3.49Å; N131-N133 PolarHBondContact OD1-N 3.18Å; N131-N133 PolarHBondContact OD1-ND2 3.32Å
134E92.8Very high94.1Very high129 Ų12952 Ų5260%0.60328%0.276SS*.G310 helixtrans-92.3-0177.8-60.6171.715600112.8N131 I132N131-E134 HydrophobicContact CB-CG 4.06Å; N131-E134 PolarHBondContact N-OE2 3.03Å; N131-E134 WeakPolarHBondContact O-CB 2.99Å; N131-E134 PolarHBondContact O-N 3.4Å; I132-E134 PolarHBondContact O-N 3.05Å
135M92.3Very high94.1Very high12 Ų1252 Ų526%0.05928%0.276CS..SBendtrans-97.4145-172.6-58.2-173.479.300112.2V93 L124 Y127 I132 Q139 K140 V143V93-M135 HydrophobicContact CG2-CE 3.92Å; V93-M135 HydrophobicContact CG2-SD 3.44Å; V93-M135 WeakPolarHBondContact CG2-SD 3.35Å; L124-M135 HydrophobicContact CD1-CE 4.1Å; Y127-M135 HydrophobicContact CD1-CE 4.07Å; I132-M135 HydrophobicContact CD1-SD 3.88Å; I132-M135 WeakPolarHBondContact O-CB 3.41Å; I132-M135 PolarHBondContact O-N 3.37Å; M135-Q139 HydrophobicContact CB-CB 3.93Å; M135-Q139 HydrophobicContact CE-CB 3.7Å; M135-K140 HydrophobicContact CB-CG 3.81Å; M135-K140 WeakPolarHBondContact O-CE 3.48Å; M135-V143 HydrophobicContact CE-CG2 3.33Å; M135-V143 HydrophobicContact SD-CG2 3.83Å
136S90.8Very high94.1Very high56 Ų5648.6 Ų48.639%0.39225%0.252SS..  trans-68.1167169.673.20000111.8G138 Q139 K140S136-G138 PolarHBondContact O-N 3Å; S136-Q139 WeakPolarHBondContact O-CB 3.29Å; S136-Q139 PolarHBondContact O-N 3.13Å; S136-Q139 WeakPolarHBondContact OG-CB 3.29Å; S136-Q139 VanDerWaalsContact OG-CG 3.26Å; S136-Q139 WeakPolarHBondContact OG-CG 3.41Å; S136-Q139 PolarHBondContact OG-N 3.12Å; S136-K140 WeakPolarHBondContact O-CG 3.39Å; S136-K140 PolarHBondContact O-N 3.26Å
137G89.2Confident94.2Very high32 Ų3247.2 Ų47.233%0.3323%0.228SC..Hα-helixtrans-54.4-52.1177.800000113Q139 K140 Q141G137-Q139 VanDerWaalsContact C-N 3.33Å; G137-Q139 PolarHBondContact O-N 2.98Å; G137-K140 WeakPolarHBondContact O-CB 3.44Å; G137-K140 PolarHBondContact O-N 3.2Å; G137-K140 VanDerWaalsContact O-N 3.14Å; G137-Q141 PolarHBondContact O-N 2.93Å
138G89.7Confident94.1Very high1 Ų144.5 Ų44.51%0.0122%0.218CC..Hα-helixtrans-64.2-35177.800000113.2S136 Q141 R142S136-G138 PolarHBondContact O-N 3Å; G138-Q141 PolarHBondContact O-N 2.92Å; G138-R142 WeakPolarHBondContact O-CG 2.98Å; G138-R142 PolarHBondContact O-N 2.83Å
139Q93.3Very high94.1Very high44 Ų4442.5 Ų42.521%0.20621%0.209CC..Hα-helixtrans-64.8-42.7172.7-75.4174.2-8.300111.8L124 M135 S136 G137 R142 V143L124-Q139 HydrophobicContact CD2-CG 4.36Å; M135-Q139 HydrophobicContact CB-CB 3.93Å; M135-Q139 HydrophobicContact CE-CB 3.7Å; S136-Q139 WeakPolarHBondContact O-CB 3.29Å; S136-Q139 PolarHBondContact O-N 3.13Å; S136-Q139 WeakPolarHBondContact OG-CB 3.29Å; S136-Q139 VanDerWaalsContact OG-CG 3.26Å; S136-Q139 WeakPolarHBondContact OG-CG 3.41Å; S136-Q139 PolarHBondContact OG-N 3.12Å; G137-Q139 VanDerWaalsContact C-N 3.33Å; G137-Q139 PolarHBondContact O-N 2.98Å; Q139-R142 PolarHBondContact O-N 3.1Å; Q139-V143 WeakPolarHBondContact O-CG2 3.43Å; Q139-V143 PolarHBondContact O-N 2.81Å
140K93.9Very high94.1Very high59 Ų5933.6 Ų33.626%0.25717%0.171SC..Hα-helixtrans-61.5-44174.2-71.3176.6179.1175.80111.1Y85 L87 I132 M135 S136 G137 R142 V143 A144Y85-K140 HydrophobicContact CD2-CB 3.73Å; Y85-K140 HydrophobicContact CE2-CB 4.02Å; Y85-K140 HydrophobicContact CG-CB 4.47Å; L87-K140 HydrophobicContact CD1-CB 3.88Å; L87-K140 HydrophobicContact CD1-CG 4.2Å; L87-K140 WeakPolarHBondContact CD1-O 3.48Å; I132-K140 HydrophobicContact CG2-CD 4.47Å; I132-K140 HydrophobicContact CG2-CG 4.31Å; I132-K140 WeakPolarHBondContact O-CE 3.44Å; M135-K140 HydrophobicContact CB-CG 3.81Å; M135-K140 WeakPolarHBondContact O-CE 3.48Å; S136-K140 WeakPolarHBondContact O-CG 3.39Å; S136-K140 PolarHBondContact O-N 3.26Å; G137-K140 WeakPolarHBondContact O-CB 3.44Å; G137-K140 PolarHBondContact O-N 3.2Å; G137-K140 VanDerWaalsContact O-N 3.14Å; K140-R142 PolarHBondContact O-N 2.97Å; K140-V143 PolarHBondContact O-N 2.88Å; K140-V143 VanDerWaalsContact O-N 3.16Å; K140-A144 PolarHBondContact O-N 2.84Å
141Q93Very high93.9Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-58.9-47.6176.4-167.2-17011.500111.4Y85 G137 G138 V143 A144 I145 S161 L165Y85-Q141 HydrophobicContact CD1-CB 4.18Å; Y85-Q141 HydrophobicContact CD1-CG 4.24Å; Y85-Q141 HydrophobicContact CE1-CB 3.67Å; Y85-Q141 HydrophobicContact CE1-CG 3.75Å; G137-Q141 PolarHBondContact O-N 2.93Å; G138-Q141 PolarHBondContact O-N 2.92Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 2.76Å; Q141-A144 WeakPolarHBondContact O-CA 3.37Å; Q141-A144 WeakPolarHBondContact O-CB 3.26Å; Q141-A144 PolarHBondContact O-N 2.96Å; Q141-I145 HydrophobicContact CG-CD1 4.03Å; Q141-I145 WeakPolarHBondContact O-CG1 3.37Å; Q141-I145 PolarHBondContact O-N 2.83Å; Q141-S161 PolarHBondContact NE2-O 2.86Å; Q141-S161 VanDerWaalsContact NE2-O 3.12Å; Q141-S161 PolarHBondContact NE2-OG 2.89Å; Q141-L165 VanDerWaalsContact OE1-CD1 3.3Å
142R94Very high93.7Very high30 Ų3032.8 Ų32.811%0.11317%0.17CC..Hα-helixtrans-56.8-39.6175.2-75.5173.1-176.6-160.718.3112.6V122 L124 G138 Q139 K140 I145 A146 E172 M173 E176V122-R142 HydrophobicContact CB-CB 4.04Å; V122-R142 HydrophobicContact CB-CG 4.37Å; V122-R142 HydrophobicContact CG2-CB 4.22Å; V122-R142 WeakPolarHBondContact O-CD 3.39Å; L124-R142 HydrophobicContact CD1-CB 3.57Å; L124-R142 HydrophobicContact CG-CB 4.08Å; G138-R142 WeakPolarHBondContact O-CG 2.98Å; G138-R142 PolarHBondContact O-N 2.83Å; Q139-R142 PolarHBondContact O-N 3.1Å; K140-R142 PolarHBondContact O-N 2.97Å; R142-I145 PolarHBondContact O-N 3.14Å; R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 3.19Å; R142-E172 IonicContact NH2-OE1 3.72Å; R142-E172 PolarHBondContact NH2-OE1 3.33Å; R142-M173 HydrophobicContact CG-CE 3.94Å; R142-M173 HydrophobicContact CG-SD 4.07Å; R142-E176 VanDerWaalsContact CZ-CD 3.41Å; R142-E176 IonicContact CZ-OE1 2.78Å; R142-E176 IonicContact CZ-OE2 2.59Å; R142-E176 IonicContact NE-OE1 2.82Å; R142-E176 IonicContact NE-OE2 3.12Å; R142-E176 PolarHBondContact NE-OE2 3.07Å; R142-E176 IonicContact NH1-OE1 3.55Å; R142-E176 IonicContact NH1-OE2 3.88Å; R142-E176 IonicContact NH2-OE1 2.92Å; R142-E176 PolarHBondContact NH2-OE1 3.15Å; R142-E176 IonicContact NH2-OE2 3.36Å; R142-E176 PolarHBondContact NH2-OE2 3.11Å
143V96.3Very high93.7Very high0 Ų032.8 Ų32.80%017%0.171CC..Hα-helixtrans-66.1-39.7173.8176.10000111.7L87 V93 N96 I97 L124 I132 M135 Q139 K140 Q141 A146 R147L87-V143 HydrophobicContact CD1-CB 4.2Å; L87-V143 HydrophobicContact CD1-CG1 4.2Å; L87-V143 HydrophobicContact CD2-CB 4.44Å; L87-V143 HydrophobicContact CD2-CG1 3.88Å; V93-V143 HydrophobicContact CG1-CG1 4.21Å; V93-V143 HydrophobicContact CG1-CG2 3.84Å; V93-V143 HydrophobicContact CG2-CG2 4.02Å; N96-V143 HydrophobicContact CB-CG1 4.32Å; I97-V143 HydrophobicContact CG1-CG1 4.28Å; L124-V143 HydrophobicContact CD1-CG2 3.57Å; I132-V143 HydrophobicContact CD1-CG1 4.07Å; M135-V143 HydrophobicContact CE-CG2 3.33Å; M135-V143 HydrophobicContact SD-CG2 3.83Å; Q139-V143 WeakPolarHBondContact O-CG2 3.43Å; Q139-V143 PolarHBondContact O-N 2.81Å; K140-V143 PolarHBondContact O-N 2.88Å; K140-V143 VanDerWaalsContact O-N 3.16Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 2.76Å; V143-A146 PolarHBondContact O-N 2.76Å; V143-R147 WeakPolarHBondContact O-CB 3.21Å; V143-R147 PolarHBondContact O-N 2.76Å
144A95.6Very high93.7Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-65.7-41.2177.600000112V81 L87 K140 Q141 R147 A148V81-A144 HydrophobicContact CG1-CB 3.94Å; L87-A144 HydrophobicContact CD2-CB 3.98Å; L87-A144 HydrophobicContact CG-CB 4.41Å; K140-A144 PolarHBondContact O-N 2.84Å; Q141-A144 WeakPolarHBondContact O-CA 3.37Å; Q141-A144 WeakPolarHBondContact O-CB 3.26Å; Q141-A144 PolarHBondContact O-N 2.96Å; A144-R147 PolarHBondContact O-N 3.38Å; A144-A148 PolarHBondContact O-N 2.65Å
145I95Very high93.9Very high3 Ų324.7 Ų24.72%0.01513%0.13CC..Hα-helixtrans-61.6-49.5172-66.3163.2000110V81 V122 Q141 R142 R147 A148 I149 M173 L177 L180V81-I145 HydrophobicContact CG2-CG1 4.22Å; V122-I145 HydrophobicContact CG1-CB 4.38Å; V122-I145 HydrophobicContact CG1-CG2 4.01Å; Q141-I145 HydrophobicContact CG-CD1 4.03Å; Q141-I145 WeakPolarHBondContact O-CG1 3.37Å; Q141-I145 PolarHBondContact O-N 2.83Å; R142-I145 PolarHBondContact O-N 3.14Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 2.86Å; I145-A148 WeakPolarHBondContact O-CA 3.43Å; I145-A148 WeakPolarHBondContact O-CB 3.4Å; I145-A148 PolarHBondContact O-N 2.86Å; I145-I149 HydrophobicContact CG2-CG2 4.21Å; I145-I149 WeakPolarHBondContact O-CG1 3.31Å; I145-I149 PolarHBondContact O-N 3.16Å; I145-M173 HydrophobicContact CD1-CE 4.19Å; I145-L177 HydrophobicContact CD1-CD2 3.63Å; I145-L177 HydrophobicContact CG1-CD2 4.46Å; I145-L180 HydrophobicContact CG2-CD2 3.36Å
146A96.4Very high94.1Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-56.3-43.4177.300000112I97 A118 V122 R142 V143 A148 I149 V150I97-A146 HydrophobicContact CD1-CB 3.65Å; I97-A146 HydrophobicContact CG1-CB 3.99Å; A118-A146 HydrophobicContact CB-CB 4.23Å; V122-A146 HydrophobicContact CG1-CB 4.03Å; V122-A146 HydrophobicContact CG2-CB 3.83Å; R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 3.19Å; V143-A146 PolarHBondContact O-N 2.76Å; A146-A148 VanDerWaalsContact C-N 3.28Å; A146-A148 PolarHBondContact O-N 3.02Å; A146-I149 WeakPolarHBondContact O-CG1 3.46Å; A146-V150 VanDerWaalsContact O-CB 3.29Å; A146-V150 WeakPolarHBondContact O-CB 3.48Å; A146-V150 PolarHBondContact O-N 3.29Å
147R96.5Very high94.5Very high30 Ų3021.5 Ų21.511%0.11311%0.108CC..Hα-helixtrans-62.6-33.3175.5179.8-173.769.3-177.2-2.9112.7Y85 A86 N96 I97 V143 A144 I145 V150 N151Y85-R147 PolarHBondContact O-NH2 3.07Å; A86-R147 PolarHBondContact O-NH1 2.79Å; N96-R147 WeakPolarHBondContact O-CD 3.21Å; N96-R147 WeakPolarHBondContact O-CG 3.41Å; I97-R147 HydrophobicContact CG1-CB 4.4Å; V143-R147 WeakPolarHBondContact O-CB 3.21Å; V143-R147 PolarHBondContact O-N 2.76Å; A144-R147 PolarHBondContact O-N 3.38Å; I145-R147 VanDerWaalsContact C-N 3.29Å; I145-R147 PolarHBondContact O-N 2.86Å; R147-V150 WeakPolarHBondContact O-CG1 3.11Å; R147-N151 PolarHBondContact O-ND2 2.71Å
148A95.1Very high94.8Very high3 Ų320 Ų203%0.0259%0.093CC..Hα-helixtrans-75-51.7177.500000111.2N79 V81 A144 I145 A146 V150 N151 L156N79-A148 HydrophobicContact CB-CB 4.05Å; V81-A148 HydrophobicContact CG2-CB 3.83Å; A144-A148 PolarHBondContact O-N 2.65Å; I145-A148 WeakPolarHBondContact O-CA 3.43Å; I145-A148 WeakPolarHBondContact O-CB 3.4Å; I145-A148 PolarHBondContact O-N 2.86Å; A146-A148 VanDerWaalsContact C-N 3.28Å; A146-A148 PolarHBondContact O-N 3.02Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.01Å; A148-N151 PolarHBondContact O-N 2.86Å; A148-L156 HydrophobicContact CB-CD1 3.42Å; A148-L156 VanDerWaalsContact CB-CD1 3.42Å
149I94.8Very high95.1Very high11 Ų1120.6 Ų20.66%0.05610%0.096CC..Hα-helixtrans-69.8-27.1-175.268.7-178000113.5A118 L121 V122 I145 A146 N151 E152 L156 L180 L184A118-I149 HydrophobicContact CB-CG1 4.4Å; L121-I149 HydrophobicContact CB-CD1 4.2Å; L121-I149 HydrophobicContact CD1-CD1 3.98Å; V122-I149 HydrophobicContact CG1-CD1 4.22Å; I145-I149 HydrophobicContact CG2-CG2 4.21Å; I145-I149 WeakPolarHBondContact O-CG1 3.31Å; I145-I149 PolarHBondContact O-N 3.16Å; A146-I149 WeakPolarHBondContact O-CG1 3.46Å; I149-N151 PolarHBondContact O-N 3.38Å; I149-E152 WeakPolarHBondContact O-CA 3.24Å; I149-E152 PolarHBondContact O-N 3.44Å; I149-L156 HydrophobicContact CG2-CD2 4.11Å; I149-L180 HydrophobicContact CD1-CD1 4.32Å; I149-L184 HydrophobicContact CB-CD1 4.31Å; I149-L184 HydrophobicContact CG2-CD1 3.9Å
150V95.5Very high95Very high6 Ų619.7 Ų19.74%0.0369%0.092CC..THydrogen-bonded Turntrans-60.5-22.218077.60000112.5I97 L101 K114 A118 A146 R147 A148 E152I97-V150 HydrophobicContact CG2-CB 3.84Å; I97-V150 HydrophobicContact CG2-CG1 3.89Å; I97-V150 HydrophobicContact CG2-CG2 3.89Å; I97-V150 WeakPolarHBondContact O-CG1 3.37Å; L101-V150 HydrophobicContact CD1-CG2 3.71Å; L101-V150 HydrophobicContact CD2-CG2 4.41Å; L101-V150 HydrophobicContact CG-CG1 4.44Å; L101-V150 HydrophobicContact CG-CG2 4.18Å; K114-V150 HydrophobicContact CB-CG2 3.85Å; A118-V150 HydrophobicContact CB-CB 4.09Å; A118-V150 HydrophobicContact CB-CG2 4.13Å; A146-V150 VanDerWaalsContact O-CB 3.29Å; A146-V150 WeakPolarHBondContact O-CB 3.48Å; A146-V150 PolarHBondContact O-N 3.29Å; R147-V150 WeakPolarHBondContact O-CG1 3.11Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.01Å; V150-E152 PolarHBondContact O-N 3.01Å
151N92.8Very high94.8Very high23 Ų2316.9 Ų16.912%0.1238%0.08CC..THydrogen-bonded Turntrans-81.1-1.7175.8-77.7-65.5000114.1K104 R147 A148 I149K104-N151 PolarHBondContact NZ-O 3.31Å; K104-N151 PolarHBondContact NZ-OD1 2.95Å; R147-N151 PolarHBondContact O-ND2 2.71Å; A148-N151 PolarHBondContact O-N 2.86Å; I149-N151 PolarHBondContact O-N 3.38Å
152E92.5Very high94.8Very high131 Ų13116.9 Ų16.961%0.6128%0.08SC*.  trans53.159.9-177.1-64.5164.2169.700111.7K114 I149 V150K114-E152 IonicContact NZ-OE1 2.81Å; K114-E152 PolarHBondContact NZ-OE1 2.99Å; K114-E152 IonicContact NZ-OE2 3.21Å; K114-E152 PolarHBondContact NZ-OE2 3.43Å; I149-E152 WeakPolarHBondContact O-CA 3.24Å; I149-E152 PolarHBondContact O-N 3.44Å; V150-E152 PolarHBondContact O-N 3.01Å
153P94.4Very high94.4Very high8 Ų817.3 Ų17.35%0.0529%0.087CC..  trans-69.1152.3174.730.6-34000111.1N79 I155 I186N79-P153 HydrophobicContact CB-CB 4.04Å; N79-P153 HydrophobicContact CB-CG 4.13Å; N79-P153 WeakPolarHBondContact OD1-CB 3.45Å; P153-I155 WeakPolarHBondContact CB-O 3.24Å; P153-I186 HydrophobicContact CG-CD1 4.25Å
154E93.7Very high93.9Very high70 Ų7020.7 Ų20.733%0.32712%0.115SC..SBendtrans-83.5-26.1167.5-68.8-179-120.900111Y63 Q64 K77 T187Y63-E154 VanDerWaalsContact OH-CB 3.3Å; Y63-E154 WeakPolarHBondContact OH-CB 3.32Å; Y63-E154 WeakPolarHBondContact OH-CG 3.29Å; Y63-E154 PolarHBondContact OH-OE1 2.98Å; Y63-E154 PolarHBondContact OH-OE2 2.91Å; Q64-E154 PolarHBondContact NE2-OE2 2.63Å; K77-E154 PolarHBondContact O-N 3.49Å; E154-T187 PolarHBondContact O-N 3.48Å; E154-T187 VanDerWaalsContact O-N 3.16Å
155I97.3Very high93.5Very high0 Ų021.2 Ų21.20%012%0.118CC..EExtended strand (participates in β ladder)trans-130.1125.1176.4-51.7173.7000110.2L4 L5 Y63 V78 N79 P153 L157 T187 I189L4-I155 HydrophobicContact CD2-CD1 4.02Å; L4-I155 HydrophobicContact CD2-CG1 3.74Å; L4-I155 HydrophobicContact CG-CD1 4.26Å; L4-I155 HydrophobicContact CG-CG1 4.47Å; L5-I155 HydrophobicContact CB-CD1 3.88Å; L5-I155 HydrophobicContact CD2-CD1 4.01Å; L5-I155 HydrophobicContact CG-CD1 4.39Å; Y63-I155 HydrophobicContact CD2-CD1 4.08Å; Y63-I155 HydrophobicContact CE2-CD1 3.9Å; Y63-I155 HydrophobicContact CE2-CG1 4.43Å; V78-I155 VanDerWaalsContact CA-O 3.29Å; V78-I155 WeakPolarHBondContact CA-O 3.28Å; V78-I155 HydrophobicContact CB-CB 4.38Å; V78-I155 HydrophobicContact CG1-CB 3.9Å; V78-I155 HydrophobicContact CG1-CD1 4.2Å; V78-I155 HydrophobicContact CG1-CG1 4.43Å; N79-I155 PolarHBondContact N-O 2.88Å; N79-I155 VanDerWaalsContact N-O 3.16Å; P153-I155 WeakPolarHBondContact CB-O 3.24Å; I155-L157 HydrophobicContact CG2-CD2 3.74Å; I155-T187 CarbonylContact C-O 3.57Å; I155-T187 WeakPolarHBondContact CA-O 3.28Å; I155-T187 HydrophobicContact CG2-CG2 4.45Å; I155-I189 HydrophobicContact CG2-CD1 3.68Å; I155-I189 HydrophobicContact CG2-CG1 3.91Å
156L97.4Very high93.2Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-101.4120.5171.6-173.166.4000110.5N79 V81 A148 I149 L158 I186 T187 F188 I189N79-L156 HydrophobicContact CB-CD1 4.36Å; V81-L156 HydrophobicContact CG2-CD1 4.26Å; A148-L156 HydrophobicContact CB-CD1 3.42Å; A148-L156 VanDerWaalsContact CB-CD1 3.42Å; I149-L156 HydrophobicContact CG2-CD2 4.11Å; L156-L158 HydrophobicContact CD2-CD2 3.96Å; L156-L158 HydrophobicContact CG-CD2 4.03Å; L156-L158 HydrophobicContact CG-CG 4.43Å; L156-I186 HydrophobicContact CB-CD1 4.21Å; L156-T187 PolarHBondContact N-O 3.36Å; L156-F188 HydrophobicContact CB-CD2 4.2Å; L156-F188 HydrophobicContact CB-CE2 4.26Å; L156-F188 HydrophobicContact CB-CG 4.42Å; L156-F188 HydrophobicContact CD2-CD1 4.17Å; L156-F188 HydrophobicContact CD2-CE1 3.59Å; L156-F188 HydrophobicContact CD2-CE2 4.09Å; L156-F188 HydrophobicContact CD2-CZ 3.54Å; L156-F188 WeakPolarHBondContact O-CA 3.24Å; L156-I189 PolarHBondContact O-N 3.23Å
157L97.6Very high92.8Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-96.7128.5177.4-50.1177.9000109.6L47 I50 A51 V78 N79 T80 V81 I155 I189L47-L157 HydrophobicContact CD1-CB 4.02Å; L47-L157 HydrophobicContact CD2-CB 4.19Å; L47-L157 HydrophobicContact CD2-CD1 4.42Å; L47-L157 HydrophobicContact CG-CB 4.01Å; L47-L157 HydrophobicContact CG-CD1 4.32Å; I50-L157 HydrophobicContact CB-CD1 4.33Å; I50-L157 HydrophobicContact CG2-CD1 4.03Å; I50-L157 HydrophobicContact CG2-CD2 3.91Å; A51-L157 HydrophobicContact CB-CD1 3.71Å; V78-L157 HydrophobicContact CB-CD1 4.32Å; V78-L157 HydrophobicContact CB-CG 4.48Å; V78-L157 HydrophobicContact CG2-CD1 4.03Å; N79-L157 PolarHBondContact O-N 3.17Å; T80-L157 CarbonylContact C-O 3.55Å; T80-L157 WeakPolarHBondContact CA-O 3.43Å; T80-L157 HydrophobicContact CG2-CB 4.25Å; V81-L157 PolarHBondContact N-O 2.62Å; I155-L157 HydrophobicContact CG2-CD2 3.74Å; L157-I189 CarbonylContact C-O 3.59Å; L157-I189 WeakPolarHBondContact CA-O 3.03Å; L157-I189 HydrophobicContact CD2-CB 3.81Å; L157-I189 HydrophobicContact CD2-CD1 3.76Å; L157-I189 HydrophobicContact CD2-CG1 4.12Å
158L96.5Very high92.5Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-122.2105.4-178.2-61.5179.4000109.2F32 V81 L156 L177 F188 I189 F190 V191F32-L158 HydrophobicContact CZ-CD1 4.33Å; V81-L158 HydrophobicContact CB-CD2 3.65Å; V81-L158 HydrophobicContact CG1-CD2 4.42Å; V81-L158 HydrophobicContact CG2-CD2 3.63Å; L156-L158 HydrophobicContact CD2-CD2 3.96Å; L156-L158 HydrophobicContact CG-CD2 4.03Å; L156-L158 HydrophobicContact CG-CG 4.43Å; L158-L177 HydrophobicContact CD1-CD1 4.3Å; L158-L177 HydrophobicContact CD1-CD2 4.05Å; L158-F188 HydrophobicContact CD1-CD1 3.71Å; L158-F188 HydrophobicContact CD1-CE1 4.13Å; L158-F188 HydrophobicContact CG-CD1 4.48Å; L158-I189 PolarHBondContact N-O 2.79Å; L158-F190 HydrophobicContact CB-CB 4.39Å; L158-F190 HydrophobicContact CB-CD2 3.6Å; L158-F190 HydrophobicContact CB-CE2 4.43Å; L158-F190 HydrophobicContact CB-CG 4.46Å; L158-F190 HydrophobicContact CD1-CD2 4.29Å; L158-F190 WeakPolarHBondContact O-CA 3.34Å; L158-F190 WeakPolarHBondContact O-CD2 3.35Å; L158-V191 PolarHBondContact O-N 2.82Å
159D94.7Very high92.2Very high15 Ų1539 Ų398%0.0821%0.206CC..EExtended strand (participates in β ladder)trans-96.599.3-175.1-169.520.6000110.5T44 L47 V81 Q83 S161T44-D159 PolarHBondContact OG1-OD1 2.82Å; L47-D159 HydrophobicContact CD1-CB 4.06Å; L47-D159 HydrophobicContact CD2-CB 4.04Å; V81-D159 PolarHBondContact O-N 3.14Å; Q83-D159 WeakPolarHBondContact CA-O 3.49Å; Q83-D159 WeakPolarHBondContact CB-O 3.49Å; Q83-D159 PolarHBondContact N-O 3.22Å; Q83-D159 VanDerWaalsContact N-O 3.13Å; D159-S161 PolarHBondContact O-N 3.36Å
160E91.8Very high92Very high24 Ų2440.8 Ų40.811%0.11221%0.212CC..SBendtrans45.234.3-178.8-60.7-162.817300114Q83 L162 S163 V191 H193Q83-E160 HydrophobicContact CG-CB 4.13Å; Q83-E160 PolarHBondContact NE2-OE2 3.46Å; E160-L162 PolarHBondContact O-N 3.38Å; E160-S163 WeakPolarHBondContact O-CB 3.3Å; E160-S163 PolarHBondContact O-N 2.89Å; E160-S163 PolarHBondContact O-OG 2.74Å; E160-V191 VanDerWaalsContact CA-O 3.26Å; E160-V191 WeakPolarHBondContact CA-O 3.39Å; E160-V191 HydrophobicContact CG-CG1 4.1Å; E160-V191 PolarHBondContact N-O 2.81Å; E160-H193 IonicContact OE1-ND1 3.83Å; E160-H193 PolarHBondContact OE1-ND1 2.78Å; E160-H193 IonicContact OE2-CE1 2.79Å; E160-H193 IonicContact OE2-ND1 3.72Å
161S90Very high91.9Very high1 Ų143 Ų431%0.00723%0.225CC..THydrogen-bonded Turntrans-67.5-11.7-165.172.10000114.8Q141 D159Q141-S161 PolarHBondContact NE2-O 2.86Å; Q141-S161 VanDerWaalsContact NE2-O 3.12Å; Q141-S161 PolarHBondContact NE2-OG 2.89Å; D159-S161 PolarHBondContact O-N 3.36Å
162L92Very high91.8Very high0 Ų046.2 Ų46.20%024%0.24CC..THydrogen-bonded Turntrans-99.7-13.3178.9-64.9178.3000114E160 A164 L165 R170 M173 Q174 L177 F190 E197 L201E160-L162 PolarHBondContact O-N 3.38Å; L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.38Å; L162-L165 HydrophobicContact CD2-CD1 4Å; L162-L165 WeakPolarHBondContact O-CB 3.49Å; L162-L165 PolarHBondContact O-N 2.95Å; L162-L165 VanDerWaalsContact O-N 3.12Å; L162-R170 HydrophobicContact CB-CG 4.27Å; L162-M173 HydrophobicContact CD2-CB 3.61Å; L162-Q174 HydrophobicContact CD1-CG 3.88Å; L162-L177 HydrophobicContact CD1-CD1 4.13Å; L162-L177 HydrophobicContact CD2-CD1 4.07Å; L162-L177 HydrophobicContact CG-CD1 4.28Å; L162-F190 HydrophobicContact CD1-CE2 4.48Å; L162-F190 HydrophobicContact CD1-CZ 3.92Å; L162-F190 HydrophobicContact CG-CE2 4.48Å; L162-F190 HydrophobicContact CG-CZ 4.27Å; L162-E197 VanDerWaalsContact CB-OE1 3.29Å; L162-E197 WeakPolarHBondContact CB-OE1 3.36Å; L162-E197 HydrophobicContact CD1-CG 4.35Å; L162-L201 HydrophobicContact CD1-CD1 3.76Å
163S87.2Confident91.7Very high38 Ų3840 Ų4027%0.26621%0.211SC..THydrogen-bonded Turntrans-59.9-32.2-172.3590000114.1Q83 E160 L165Q83-S163 PolarHBondContact NE2-OG 2.82Å; E160-S163 WeakPolarHBondContact O-CB 3.3Å; E160-S163 PolarHBondContact O-N 2.89Å; E160-S163 PolarHBondContact O-OG 2.74Å; S163-L165 VanDerWaalsContact C-N 3.3Å; S163-L165 PolarHBondContact O-N 3.08Å
164A84.6Confident91.7Very high72 Ų7240.7 Ų40.760%0.59521%0.213SC*.THydrogen-bonded Turntrans-82.4-0.7-177.600000114.5L162L162-A164 VanDerWaalsContact C-N 3.27Å; L162-A164 PolarHBondContact O-N 3.38Å
165L87.6Confident91.6Very high10 Ų1045.5 Ų45.55%0.05223%0.23CC..SBendtrans-96.6148.3-176.5-55.9179.9000112Y85 Q141 L162 S163 L169 R170 M173Y85-L165 WeakPolarHBondContact OH-CD2 3.35Å; Q141-L165 VanDerWaalsContact OE1-CD1 3.3Å; L162-L165 HydrophobicContact CD2-CD1 4Å; L162-L165 WeakPolarHBondContact O-CB 3.49Å; L162-L165 PolarHBondContact O-N 2.95Å; L162-L165 VanDerWaalsContact O-N 3.12Å; S163-L165 VanDerWaalsContact C-N 3.3Å; S163-L165 PolarHBondContact O-N 3.08Å; L165-L169 HydrophobicContact CD1-CG 4.3Å; L165-L169 HydrophobicContact CD2-CD2 3.93Å; L165-L169 HydrophobicContact CD2-CG 4.32Å; L165-R170 HydrophobicContact CB-CB 4.22Å; L165-R170 PolarHBondContact O-NH2 3.01Å; L165-M173 HydrophobicContact CD1-CB 4.15Å; L165-M173 HydrophobicContact CD1-CG 3.73Å
166D89.5Confident91.4Very high98 Ų9846.7 Ų46.752%0.52424%0.235SC..  trans-66.2157.4167.268.590.7000111.1K168 L169 R170D166-K168 VanDerWaalsContact C-N 3.32Å; D166-K168 PolarHBondContact O-N 3.15Å; D166-K168 PolarHBondContact OD1-N 2.79Å; D166-L169 PolarHBondContact O-N 2.62Å; D166-L169 PolarHBondContact OD1-N 2.97Å; D166-L169 VanDerWaalsContact OD1-N 3.16Å; D166-L169 WeakPolarHBondContact OD2-CB 3.45Å; D166-R170 VanDerWaalsContact O-CB 3.32Å; D166-R170 WeakPolarHBondContact O-CB 3.43Å; D166-R170 PolarHBondContact O-N 2.86Å
167L87.8Confident91.2Very high111 Ų11146.7 Ų46.758%0.58124%0.235SC*.Hα-helixtrans-52.9-45.8-172.4-175.665.3000113.1L169 R170 T171L167-L169 PolarHBondContact O-N 2.85Å; L167-R170 WeakPolarHBondContact O-CB 3.43Å; L167-R170 PolarHBondContact O-N 3.28Å; L167-T171 PolarHBondContact O-N 2.8Å; L167-T171 PolarHBondContact O-OG1 2.92Å; L167-T171 VanDerWaalsContact O-OG1 3.05Å
168K89.2Confident91Very high167 Ų16749.6 Ų49.673%0.72625%0.246SC*.Hα-helixtrans-65.3-45.5-177.2-177.7179.6178.4-179.40111.2D166 E172D166-K168 VanDerWaalsContact C-N 3.32Å; D166-K168 PolarHBondContact O-N 3.15Å; D166-K168 PolarHBondContact OD1-N 2.79Å; K168-E172 PolarHBondContact O-N 3.07Å; K168-E172 VanDerWaalsContact O-N 3.16Å
169L89.3Confident90.8Very high34 Ų3454.4 Ų54.418%0.17827%0.269CS..Hα-helixtrans-69.6-35.4179.4-17455.6000111.9L165 D166 L167 E172 M173L165-L169 HydrophobicContact CD1-CG 4.3Å; L165-L169 HydrophobicContact CD2-CD2 3.93Å; L165-L169 HydrophobicContact CD2-CG 4.32Å; D166-L169 PolarHBondContact O-N 2.62Å; D166-L169 PolarHBondContact OD1-N 2.97Å; D166-L169 VanDerWaalsContact OD1-N 3.16Å; D166-L169 WeakPolarHBondContact OD2-CB 3.45Å; L167-L169 PolarHBondContact O-N 2.85Å; L169-E172 PolarHBondContact O-N 2.94Å; L169-M173 HydrophobicContact CD1-CG 4.43Å; L169-M173 WeakPolarHBondContact O-CB 3.33Å; L169-M173 VanDerWaalsContact O-CG 3.29Å; L169-M173 WeakPolarHBondContact O-CG 3.4Å; L169-M173 PolarHBondContact O-N 3.22Å
170R91.5Very high90.8Very high49 Ų4954.3 Ų54.319%0.18527%0.268CS..Hα-helixtrans-57.9-51.9173.2-178.1-174.4-59.1168.27.8111L162 L165 D166 L167 E172 M173 Q174 D194 E197L162-R170 HydrophobicContact CB-CG 4.27Å; L165-R170 HydrophobicContact CB-CB 4.22Å; L165-R170 PolarHBondContact O-NH2 3.01Å; D166-R170 VanDerWaalsContact O-CB 3.32Å; D166-R170 WeakPolarHBondContact O-CB 3.43Å; D166-R170 PolarHBondContact O-N 2.86Å; L167-R170 WeakPolarHBondContact O-CB 3.43Å; L167-R170 PolarHBondContact O-N 3.28Å; R170-E172 VanDerWaalsContact C-N 3.35Å; R170-E172 PolarHBondContact O-N 3.27Å; R170-M173 PolarHBondContact O-N 3.13Å; R170-M173 VanDerWaalsContact O-N 3.16Å; R170-Q174 WeakPolarHBondContact O-CG 3.26Å; R170-Q174 PolarHBondContact O-N 2.73Å; R170-D194 IonicContact NH1-OD2 2.86Å; R170-D194 PolarHBondContact NH1-OD2 2.83Å; R170-E197 WeakPolarHBondContact CD-OE1 3.17Å; R170-E197 IonicContact NE-OE1 3.65Å
171T91.8Very high90.9Very high51 Ų5153.8 Ų53.831%0.31327%0.266SS..Hα-helixtrans-59.3-43.6177.6-53.90000112L167 M173 Q174 Y175L167-T171 PolarHBondContact O-N 2.8Å; L167-T171 PolarHBondContact O-OG1 2.92Å; L167-T171 VanDerWaalsContact O-OG1 3.05Å; T171-M173 VanDerWaalsContact C-N 3.34Å; T171-M173 PolarHBondContact O-N 2.88Å; T171-Q174 WeakPolarHBondContact O-CB 3.18Å; T171-Q174 PolarHBondContact O-N 2.86Å; T171-Y175 HydrophobicContact CG2-CD2 4.33Å; T171-Y175 HydrophobicContact CG2-CE2 3.82Å; T171-Y175 WeakPolarHBondContact O-CD2 3.41Å; T171-Y175 PolarHBondContact O-N 2.83Å
172E91.3Very high91Very high91 Ų9158.3 Ų58.343%0.42530%0.297SS..Hα-helixtrans-59.6-45.4175.4-174.9-180166.200111.5R142 K168 L169 R170 Q174 Y175 E176R142-E172 IonicContact NH2-OE1 3.72Å; R142-E172 PolarHBondContact NH2-OE1 3.33Å; K168-E172 PolarHBondContact O-N 3.07Å; K168-E172 VanDerWaalsContact O-N 3.16Å; L169-E172 PolarHBondContact O-N 2.94Å; R170-E172 VanDerWaalsContact C-N 3.35Å; R170-E172 PolarHBondContact O-N 3.27Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 3.22Å; E172-Y175 PolarHBondContact O-N 2.78Å; E172-E176 WeakPolarHBondContact O-CG 3.46Å; E172-E176 PolarHBondContact O-N 2.95Å
173M91.4Very high91Very high2 Ų265.1 Ų65.11%0.0132%0.323CS..Hα-helixtrans-66.6-30.7179.1-73.1-56.6-43.900113R142 I145 L162 L165 L169 R170 T171 E176 L177R142-M173 HydrophobicContact CG-CE 3.94Å; R142-M173 HydrophobicContact CG-SD 4.07Å; I145-M173 HydrophobicContact CD1-CE 4.19Å; L162-M173 HydrophobicContact CD2-CB 3.61Å; L165-M173 HydrophobicContact CD1-CB 4.15Å; L165-M173 HydrophobicContact CD1-CG 3.73Å; L169-M173 HydrophobicContact CD1-CG 4.43Å; L169-M173 WeakPolarHBondContact O-CB 3.33Å; L169-M173 VanDerWaalsContact O-CG 3.29Å; L169-M173 WeakPolarHBondContact O-CG 3.4Å; L169-M173 PolarHBondContact O-N 3.22Å; R170-M173 PolarHBondContact O-N 3.13Å; R170-M173 VanDerWaalsContact O-N 3.16Å; T171-M173 VanDerWaalsContact C-N 3.34Å; T171-M173 PolarHBondContact O-N 2.88Å; M173-E176 HydrophobicContact CE-CB 4.49Å; M173-E176 PolarHBondContact O-N 2.67Å; M173-E176 VanDerWaalsContact SD-OE2 3.34Å; M173-L177 WeakPolarHBondContact O-CG 3.31Å; M173-L177 PolarHBondContact O-N 2.89Å
174Q93.5Very high91.3Very high21 Ų2166 Ų6610%0.09832%0.324CS..Hα-helixtrans-60.5-49.8174.4-72.3166.3-1100111.3L162 R170 T171 E172 E176 L177 R178 L201L162-Q174 HydrophobicContact CD1-CG 3.88Å; R170-Q174 WeakPolarHBondContact O-CG 3.26Å; R170-Q174 PolarHBondContact O-N 2.73Å; T171-Q174 WeakPolarHBondContact O-CB 3.18Å; T171-Q174 PolarHBondContact O-N 2.86Å; E172-Q174 VanDerWaalsContact C-N 3.31Å; E172-Q174 PolarHBondContact O-N 3.22Å; Q174-E176 VanDerWaalsContact C-N 3.27Å; Q174-E176 PolarHBondContact O-N 3.36Å; Q174-L177 PolarHBondContact O-N 3.47Å; Q174-R178 PolarHBondContact O-N 3.23Å; Q174-R178 VanDerWaalsContact O-N 3.11Å; Q174-L201 HydrophobicContact CB-CD2 3.76Å; Q174-L201 HydrophobicContact CB-CG 4.32Å; Q174-L201 HydrophobicContact CG-CD1 4.13Å; Q174-L201 HydrophobicContact CG-CD2 4.15Å; Q174-L201 HydrophobicContact CG-CG 4.18Å; Q174-L201 VanDerWaalsContact O-CD2 3.29Å; Q174-L201 WeakPolarHBondContact O-CD2 3.39Å
175Y92.6Very high91.8Very high172 Ų17264.9 Ų64.968%0.67532%0.32SS*.Hα-helixtrans-58.9-40.3176.2-72.7-67.7000112.1T171 E172 R178 E179T171-Y175 HydrophobicContact CG2-CD2 4.33Å; T171-Y175 HydrophobicContact CG2-CE2 3.82Å; T171-Y175 WeakPolarHBondContact O-CD2 3.41Å; T171-Y175 PolarHBondContact O-N 2.83Å; E172-Y175 PolarHBondContact O-N 2.78Å; Y175-R178 PolarHBondContact O-N 3.2Å; Y175-E179 WeakPolarHBondContact O-CB 3.38Å; Y175-E179 PolarHBondContact O-N 3.33Å
176E91.3Very high92.1Very high24 Ų2465.9 Ų65.911%0.11233%0.325CS..Hα-helixtrans-69.2-37.2179.4-68.9-169.9154.400113.4K123 R142 E172 M173 Q174 E179 L180K123-E176 IonicContact NZ-OE1 2.94Å; R142-E176 VanDerWaalsContact CZ-CD 3.41Å; R142-E176 IonicContact CZ-OE1 2.78Å; R142-E176 IonicContact CZ-OE2 2.59Å; R142-E176 IonicContact NE-OE1 2.82Å; R142-E176 IonicContact NE-OE2 3.12Å; R142-E176 PolarHBondContact NE-OE2 3.07Å; R142-E176 IonicContact NH1-OE1 3.55Å; R142-E176 IonicContact NH1-OE2 3.88Å; R142-E176 IonicContact NH2-OE1 2.92Å; R142-E176 PolarHBondContact NH2-OE1 3.15Å; R142-E176 IonicContact NH2-OE2 3.36Å; R142-E176 PolarHBondContact NH2-OE2 3.11Å; E172-E176 WeakPolarHBondContact O-CG 3.46Å; E172-E176 PolarHBondContact O-N 2.95Å; M173-E176 HydrophobicContact CE-CB 4.49Å; M173-E176 PolarHBondContact O-N 2.67Å; M173-E176 VanDerWaalsContact SD-OE2 3.34Å; Q174-E176 VanDerWaalsContact C-N 3.27Å; Q174-E176 PolarHBondContact O-N 3.36Å; E176-E179 PolarHBondContact O-N 3Å; E176-L180 WeakPolarHBondContact O-CB 3.43Å; E176-L180 PolarHBondContact O-N 3.35Å
177L93.5Very high92.5Very high1 Ų161.3 Ų61.31%0.00530%0.301CS..Hα-helixtrans-64.1-42.9175.1-77.6173.7000111.3I145 L158 L162 M173 Q174 L180 Q181 F188 L201I145-L177 HydrophobicContact CD1-CD2 3.63Å; I145-L177 HydrophobicContact CG1-CD2 4.46Å; L158-L177 HydrophobicContact CD1-CD1 4.3Å; L158-L177 HydrophobicContact CD1-CD2 4.05Å; L162-L177 HydrophobicContact CD1-CD1 4.13Å; L162-L177 HydrophobicContact CD2-CD1 4.07Å; L162-L177 HydrophobicContact CG-CD1 4.28Å; M173-L177 WeakPolarHBondContact O-CG 3.31Å; M173-L177 PolarHBondContact O-N 2.89Å; Q174-L177 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 3.37Å; L177-Q181 WeakPolarHBondContact O-CB 3.41Å; L177-Q181 PolarHBondContact O-N 3.05Å; L177-F188 HydrophobicContact CD2-CE1 4.3Å; L177-L201 HydrophobicContact CB-CD2 4.47Å
178R93.9Very high92.9Very high61 Ų6156 Ų5623%0.2327%0.273CS..Hα-helixtrans-62.7-47.6174-77-61.5-146.5166.72.8112.5Q174 Y175 L180 Q181 S182 A200 L201 S202 D203Q174-R178 PolarHBondContact O-N 3.23Å; Q174-R178 VanDerWaalsContact O-N 3.11Å; Y175-R178 PolarHBondContact O-N 3.2Å; R178-L180 VanDerWaalsContact C-N 3.28Å; R178-L180 PolarHBondContact O-N 2.83Å; R178-Q181 PolarHBondContact O-N 3.34Å; R178-S182 WeakPolarHBondContact O-CB 3.31Å; R178-S182 PolarHBondContact O-N 2.96Å; R178-A200 PolarHBondContact NE-O 3.39Å; R178-A200 PolarHBondContact NH2-O 2.98Å; R178-L201 WeakPolarHBondContact CD-O 3.42Å; R178-L201 HydrophobicContact CG-CD2 3.72Å; R178-L201 VanDerWaalsContact NE-CA 3.3Å; R178-L201 PolarHBondContact NE-O 3.5Å; R178-L201 PolarHBondContact NH1-O 3.04Å; R178-L201 VanDerWaalsContact NH1-O 3.11Å; R178-L201 PolarHBondContact NH2-O 2.49Å; R178-L201 VanDerWaalsContact NH2-O 3.15Å; R178-S202 PolarHBondContact NH2-O 2.9Å; R178-D203 IonicContact CZ-OD1 2.66Å; R178-D203 IonicContact NH1-OD1 3.83Å; R178-D203 PolarHBondContact NH1-OD1 3.43Å; R178-D203 IonicContact NH1-OD2 3.63Å; R178-D203 IonicContact NH2-OD1 2.79Å
179E93.1Very high93.4Very high100 Ų10048.1 Ų48.147%0.46724%0.239SC..Hα-helixtrans-58.9-43.1176.7-171.6-171.4170.800111K123 Y175 E176 R183K123-E179 IonicContact NZ-OE2 2.84Å; K123-E179 PolarHBondContact NZ-OE2 3.25Å; Y175-E179 WeakPolarHBondContact O-CB 3.38Å; Y175-E179 PolarHBondContact O-N 3.33Å; E176-E179 PolarHBondContact O-N 3Å; E179-R183 VanDerWaalsContact O-CB 3.23Å; E179-R183 WeakPolarHBondContact O-CB 3.35Å; E179-R183 PolarHBondContact O-N 3.19Å
180L93.8Very high93.7Very high14 Ų1446.5 Ų46.57%0.07323%0.23CC..Hα-helixtrans-65.4-47179.1-178.365.7000112L121 I145 I149 E176 L177 R178 R183 L184 F188L121-L180 HydrophobicContact CB-CD1 4.01Å; I145-L180 HydrophobicContact CG2-CD2 3.36Å; I149-L180 HydrophobicContact CD1-CD1 4.32Å; E176-L180 WeakPolarHBondContact O-CB 3.43Å; E176-L180 PolarHBondContact O-N 3.35Å; L177-L180 PolarHBondContact O-N 3.37Å; R178-L180 VanDerWaalsContact C-N 3.28Å; R178-L180 PolarHBondContact O-N 2.83Å; L180-R183 PolarHBondContact O-N 2.88Å; L180-L184 HydrophobicContact CD1-CD1 3.77Å; L180-L184 HydrophobicContact CD1-CG 4.06Å; L180-L184 HydrophobicContact CD2-CD1 4.5Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.41Å; L180-L184 WeakPolarHBondContact O-CB 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.13Å; L180-L184 PolarHBondContact O-N 3.12Å; L180-F188 HydrophobicContact CD2-CZ 4.4Å; L180-F188 HydrophobicContact CG-CZ 4.43Å
181Q94.1Very high94Very high13 Ų1344.1 Ų44.16%0.06122%0.221CC..Hα-helixtrans-61-48.7179.1-176.8-83-18.400110.6G30 F32 L177 R178 R183 L184 G185 I186 F188G30-Q181 PolarHBondContact O-NE2 3.13Å; F32-Q181 HydrophobicContact CB-CG 4.47Å; F32-Q181 HydrophobicContact CD2-CB 4.12Å; F32-Q181 HydrophobicContact CD2-CG 3.97Å; L177-Q181 WeakPolarHBondContact O-CB 3.41Å; L177-Q181 PolarHBondContact O-N 3.05Å; R178-Q181 PolarHBondContact O-N 3.34Å; Q181-R183 VanDerWaalsContact C-N 3.28Å; Q181-R183 PolarHBondContact O-N 3.24Å; Q181-L184 PolarHBondContact O-N 2.83Å; Q181-G185 PolarHBondContact O-N 3.46Å; Q181-I186 PolarHBondContact NE2-O 2.8Å; Q181-F188 HydrophobicContact CB-CD1 4.18Å; Q181-F188 HydrophobicContact CB-CD2 3.81Å; Q181-F188 HydrophobicContact CB-CE1 4.05Å; Q181-F188 HydrophobicContact CB-CE2 3.67Å; Q181-F188 HydrophobicContact CB-CG 4.08Å; Q181-F188 HydrophobicContact CB-CZ 3.8Å; Q181-F188 HydrophobicContact CG-CB 4.18Å; Q181-F188 HydrophobicContact CG-CD1 4.31Å; Q181-F188 HydrophobicContact CG-CD2 3.35Å; Q181-F188 HydrophobicContact CG-CE2 3.69Å; Q181-F188 HydrophobicContact CG-CG 3.71Å; Q181-F188 HydrophobicContact CG-CZ 4.3Å
182S92.1Very high94.1Very high95 Ų9541.8 Ų41.866%0.66421%0.207SC*.Hα-helixtrans-58.6-40.6177.5178.80000111.9R178R178-S182 WeakPolarHBondContact O-CB 3.31Å; R178-S182 PolarHBondContact O-N 2.96Å
183R93Very high94.2Very high144 Ų14441.3 Ų41.354%0.54321%0.205SC..Hα-helixtrans-71.6-33179.2-176.3171.2176.5-171.1-7.1113.8L121 E179 L180 Q181L121-R183 HydrophobicContact CD2-CG 4.43Å; L121-R183 VanDerWaalsContact CD2-CZ 3.41Å; E179-R183 VanDerWaalsContact O-CB 3.23Å; E179-R183 WeakPolarHBondContact O-CB 3.35Å; E179-R183 PolarHBondContact O-N 3.19Å; L180-R183 PolarHBondContact O-N 2.88Å; Q181-R183 VanDerWaalsContact C-N 3.28Å; Q181-R183 PolarHBondContact O-N 3.24Å
184L93.7Very high94.3Very high55 Ų5542.9 Ų42.929%0.28821%0.213SC..Hα-helixtrans-86-30.1-179.2-71.3178000112.9L121 I149 L180 Q181 I186L121-L184 HydrophobicContact CD1-CD2 3.99Å; I149-L184 HydrophobicContact CB-CD1 4.31Å; I149-L184 HydrophobicContact CG2-CD1 3.9Å; L180-L184 HydrophobicContact CD1-CD1 3.77Å; L180-L184 HydrophobicContact CD1-CG 4.06Å; L180-L184 HydrophobicContact CD2-CD1 4.5Å; L180-L184 HydrophobicContact CG-CD1 3.86Å; L180-L184 HydrophobicContact CG-CG 4.41Å; L180-L184 WeakPolarHBondContact O-CB 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.13Å; L180-L184 PolarHBondContact O-N 3.12Å; Q181-L184 PolarHBondContact O-N 2.83Å; L184-I186 HydrophobicContact CB-CD1 4.41Å; L184-I186 HydrophobicContact CB-CG1 4Å; L184-I186 HydrophobicContact CB-CG2 4.37Å; L184-I186 HydrophobicContact CD1-CD1 3.99Å; L184-I186 HydrophobicContact CD1-CG1 4.41Å; L184-I186 PolarHBondContact O-N 3.16Å
185G93.5Very high94.3Very high50 Ų5045.3 Ų45.352%0.51523%0.225SC..THydrogen-bonded Turntrans65.418.6-176.600000114.1Q181Q181-G185 PolarHBondContact O-N 3.46Å
186I94.6Very high94.2Very high31 Ų3143.6 Ų43.616%0.15922%0.223CC..  trans-93.9161.1176.367.9175.8000110.3P153 L156 Q181 L184 F188P153-I186 HydrophobicContact CG-CD1 4.25Å; L156-I186 HydrophobicContact CB-CD1 4.21Å; Q181-I186 PolarHBondContact NE2-O 2.8Å; L184-I186 HydrophobicContact CB-CD1 4.41Å; L184-I186 HydrophobicContact CB-CG1 4Å; L184-I186 HydrophobicContact CB-CG2 4.37Å; L184-I186 HydrophobicContact CD1-CD1 3.99Å; L184-I186 HydrophobicContact CD1-CG1 4.41Å; L184-I186 PolarHBondContact O-N 3.16Å; I186-F188 HydrophobicContact CD1-CD2 4.45Å; I186-F188 HydrophobicContact CD1-CE2 3.82Å; I186-F188 HydrophobicContact CG1-CD2 3.9Å; I186-F188 HydrophobicContact CG1-CE2 3.49Å; I186-F188 VanDerWaalsContact CG1-CE2 3.49Å
187T97.3Very high94.3Very high1 Ų142.6 Ų42.61%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-77134.1177.4-59.50000110.8L4 I27 E28 S29 G30 Y31 Y33 E154 I155 L156 I189L4-T187 WeakPolarHBondContact CD2-OG1 3.3Å; I27-T187 HydrophobicContact CG2-CG2 3.59Å; E28-T187 PolarHBondContact O-OG1 3.28Å; S29-T187 VanDerWaalsContact CA-OG1 3.29Å; S29-T187 WeakPolarHBondContact CA-OG1 3.44Å; G30-T187 PolarHBondContact N-OG1 3.27Å; Y31-T187 WeakPolarHBondContact O-CA 3.38Å; Y33-T187 HydrophobicContact CD2-CG2 4.08Å; Y33-T187 HydrophobicContact CE2-CG2 4.36Å; E154-T187 PolarHBondContact O-N 3.48Å; E154-T187 VanDerWaalsContact O-N 3.16Å; I155-T187 CarbonylContact C-O 3.57Å; I155-T187 WeakPolarHBondContact CA-O 3.28Å; I155-T187 HydrophobicContact CG2-CG2 4.45Å; L156-T187 PolarHBondContact N-O 3.36Å; T187-I189 HydrophobicContact CG2-CG1 4.44Å
188F97.7Very high94.3Very high0 Ų042.6 Ų42.60%022%0.218CC..EExtended strand (participates in β ladder)trans-110.1137.3172.4-82.9-133.4000108.9Y31 F32 Y33 L156 L158 L177 L180 Q181 I186Y31-F188 PolarHBondContact O-N 3.29Å; F32-F188 HydrophobicContact CB-CB 4.39Å; F32-F188 HydrophobicContact CD1-CB 4.25Å; F32-F188 HydrophobicContact CD2-CB 3.67Å; F32-F188 AromaticContact CD2-CD1 3.95Å; F32-F188 HydrophobicContact CD2-CD1 3.95Å; F32-F188 HydrophobicContact CD2-CG 4.02Å; F32-F188 HydrophobicContact CE2-CB 3.94Å; F32-F188 AromaticContact CE2-CD1 3.57Å; F32-F188 HydrophobicContact CE2-CD1 3.57Å; F32-F188 HydrophobicContact CE2-CE1 4.4Å; F32-F188 HydrophobicContact CE2-CG 4.09Å; F32-F188 HydrophobicContact CG-CB 3.83Å; F32-F188 HydrophobicContact CZ-CB 4.36Å; F32-F188 HydrophobicContact CZ-CD1 4.23Å; Y33-F188 PolarHBondContact N-O 2.65Å; L156-F188 HydrophobicContact CB-CD2 4.2Å; L156-F188 HydrophobicContact CB-CE2 4.26Å; L156-F188 HydrophobicContact CB-CG 4.42Å; L156-F188 HydrophobicContact CD2-CD1 4.17Å; L156-F188 HydrophobicContact CD2-CE1 3.59Å; L156-F188 HydrophobicContact CD2-CE2 4.09Å; L156-F188 HydrophobicContact CD2-CZ 3.54Å; L156-F188 WeakPolarHBondContact O-CA 3.24Å; L158-F188 HydrophobicContact CD1-CD1 3.71Å; L158-F188 HydrophobicContact CD1-CE1 4.13Å; L158-F188 HydrophobicContact CG-CD1 4.48Å; L177-F188 HydrophobicContact CD2-CE1 4.3Å; L180-F188 HydrophobicContact CD2-CZ 4.4Å; L180-F188 HydrophobicContact CG-CZ 4.43Å; Q181-F188 HydrophobicContact CB-CD1 4.18Å; Q181-F188 HydrophobicContact CB-CD2 3.81Å; Q181-F188 HydrophobicContact CB-CE1 4.05Å; Q181-F188 HydrophobicContact CB-CE2 3.67Å; Q181-F188 HydrophobicContact CB-CG 4.08Å; Q181-F188 HydrophobicContact CB-CZ 3.8Å; Q181-F188 HydrophobicContact CG-CB 4.18Å; Q181-F188 HydrophobicContact CG-CD1 4.31Å; Q181-F188 HydrophobicContact CG-CD2 3.35Å; Q181-F188 HydrophobicContact CG-CE2 3.69Å; Q181-F188 HydrophobicContact CG-CG 3.71Å; Q181-F188 HydrophobicContact CG-CZ 4.3Å; I186-F188 HydrophobicContact CD1-CD2 4.45Å; I186-F188 HydrophobicContact CD1-CE2 3.82Å; I186-F188 HydrophobicContact CG1-CD2 3.9Å; I186-F188 HydrophobicContact CG1-CE2 3.49Å; I186-F188 VanDerWaalsContact CG1-CE2 3.49Å
189I98Very high94.4Very high1 Ų141.9 Ų41.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-124.3111.6169.6-53.6176.8000107.3L5 I27 Y33 L35 I50 I155 L156 L157 L158 T187L5-I189 HydrophobicContact CD2-CD1 3.8Å; I27-I189 HydrophobicContact CD1-CD1 3.43Å; I27-I189 VanDerWaalsContact CD1-CD1 3.43Å; I27-I189 HydrophobicContact CD1-CG1 3.96Å; Y33-I189 CarbonylContact O-C 3.57Å; Y33-I189 VanDerWaalsContact O-CA 3.32Å; Y33-I189 WeakPolarHBondContact O-CA 3.16Å; L35-I189 HydrophobicContact CD1-CG2 4.33Å; L35-I189 HydrophobicContact CG-CG2 4.28Å; I50-I189 HydrophobicContact CD1-CD1 4.02Å; I155-I189 HydrophobicContact CG2-CD1 3.68Å; I155-I189 HydrophobicContact CG2-CG1 3.91Å; L156-I189 PolarHBondContact O-N 3.23Å; L157-I189 CarbonylContact C-O 3.59Å; L157-I189 WeakPolarHBondContact CA-O 3.03Å; L157-I189 HydrophobicContact CD2-CB 3.81Å; L157-I189 HydrophobicContact CD2-CD1 3.76Å; L157-I189 HydrophobicContact CD2-CG1 4.12Å; L158-I189 PolarHBondContact N-O 2.79Å; T187-I189 HydrophobicContact CG2-CG1 4.44Å
190F97.2Very high94.3Very high0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-106.3140.8-178.4-179.1-128000110.8F32 Y33 T34 L35 L158 L162 T192 E197 L201F32-F190 HydrophobicContact CD1-CB 4.43Å; F32-F190 HydrophobicContact CE1-CB 3.4Å; F32-F190 HydrophobicContact CE1-CD1 4.25Å; F32-F190 HydrophobicContact CE1-CG 4.09Å; F32-F190 HydrophobicContact CZ-CB 3.89Å; F32-F190 HydrophobicContact CZ-CG 4.31Å; Y33-F190 PolarHBondContact O-N 3.07Å; T34-F190 CarbonylContact C-O 3.58Å; T34-F190 VanDerWaalsContact CA-O 3.24Å; T34-F190 WeakPolarHBondContact CA-O 3.45Å; T34-F190 HydrophobicContact CG2-CD1 3.88Å; L35-F190 PolarHBondContact N-O 3.07Å; L158-F190 HydrophobicContact CB-CB 4.39Å; L158-F190 HydrophobicContact CB-CD2 3.6Å; L158-F190 HydrophobicContact CB-CE2 4.43Å; L158-F190 HydrophobicContact CB-CG 4.46Å; L158-F190 HydrophobicContact CD1-CD2 4.29Å; L158-F190 WeakPolarHBondContact O-CA 3.34Å; L158-F190 WeakPolarHBondContact O-CD2 3.35Å; L162-F190 HydrophobicContact CD1-CE2 4.48Å; L162-F190 HydrophobicContact CD1-CZ 3.92Å; L162-F190 HydrophobicContact CG-CE2 4.48Å; L162-F190 HydrophobicContact CG-CZ 4.27Å; F190-T192 HydrophobicContact CD1-CG2 4.09Å; F190-T192 HydrophobicContact CE1-CG2 3.61Å; F190-T192 HydrophobicContact CZ-CG2 4.35Å; F190-E197 HydrophobicContact CE1-CB 4.02Å; F190-E197 VanDerWaalsContact CZ-OE2 3.31Å; F190-E197 WeakPolarHBondContact CZ-OE2 3.45Å; F190-L201 HydrophobicContact CD1-CD1 4.06Å; F190-L201 HydrophobicContact CE1-CD1 3.77Å; F190-L201 HydrophobicContact CZ-CD1 4.27Å
191V96.7Very high94.4Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-113.3126.1172.8168.50000107.9L35 K43 L47 L158 E160L35-V191 HydrophobicContact CB-CG2 4.12Å; L35-V191 HydrophobicContact CD1-CG2 3.99Å; L35-V191 HydrophobicContact CG-CG2 4.43Å; K43-V191 HydrophobicContact CB-CB 4.46Å; K43-V191 HydrophobicContact CB-CG1 3.49Å; K43-V191 VanDerWaalsContact CB-CG1 3.49Å; K43-V191 HydrophobicContact CB-CG2 4.17Å; K43-V191 HydrophobicContact CD-CG1 4.03Å; K43-V191 HydrophobicContact CG-CG1 4.4Å; L47-V191 HydrophobicContact CB-CG2 4.03Å; L47-V191 HydrophobicContact CD1-CB 4.23Å; L47-V191 HydrophobicContact CD1-CG2 3.48Å; L47-V191 VanDerWaalsContact CD1-CG2 3.48Å; L47-V191 HydrophobicContact CG-CG2 4.39Å; L158-V191 PolarHBondContact O-N 2.82Å; E160-V191 VanDerWaalsContact CA-O 3.26Å; E160-V191 WeakPolarHBondContact CA-O 3.39Å; E160-V191 HydrophobicContact CG-CG1 4.1Å; E160-V191 PolarHBondContact N-O 2.81Å
192T94.8Very high94.5Very high2 Ų238.5 Ų38.51%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-148161.7172.6-168.40000111.7T34 L35 L36 K43 F190 D194 E197 A198T34-T192 HydrophobicContact CG2-CG2 3.77Å; L35-T192 PolarHBondContact O-N 2.87Å; L36-T192 HydrophobicContact CD1-CG2 4.24Å; K43-T192 VanDerWaalsContact CD-O 3.31Å; K43-T192 WeakPolarHBondContact CD-O 3.31Å; K43-T192 WeakPolarHBondContact CE-O 3.15Å; F190-T192 HydrophobicContact CD1-CG2 4.09Å; F190-T192 HydrophobicContact CE1-CG2 3.61Å; F190-T192 HydrophobicContact CZ-CG2 4.35Å; T192-D194 WeakPolarHBondContact CG2-O 3.11Å; T192-D194 WeakPolarHBondContact OG1-CB 3.47Å; T192-D194 PolarHBondContact OG1-N 2.56Å; T192-E197 WeakPolarHBondContact CB-OE2 3.39Å; T192-E197 HydrophobicContact CG2-CB 4.21Å; T192-E197 PolarHBondContact OG1-OE2 2.84Å; T192-A198 HydrophobicContact CG2-CB 4.02Å
193H93.1Very high94.7Very high80 Ų8036.3 Ų36.337%0.3719%0.192SC..SBendtrans-109.70.8166.360.1-89.8000111.6E160E160-H193 IonicContact OE1-ND1 3.83Å; E160-H193 PolarHBondContact OE1-ND1 2.78Å; E160-H193 IonicContact OE2-CE1 2.79Å; E160-H193 IonicContact OE2-ND1 3.72Å
194D93Very high95Very high36 Ų3631.9 Ų31.919%0.19318%0.177CC..  trans-94.2122.9-179.4-173.1-57.5000109.6R170 T192 E196 E197 A198R170-D194 IonicContact NH1-OD2 2.86Å; R170-D194 PolarHBondContact NH1-OD2 2.83Å; T192-D194 WeakPolarHBondContact CG2-O 3.11Å; T192-D194 WeakPolarHBondContact OG1-CB 3.47Å; T192-D194 PolarHBondContact OG1-N 2.56Å; D194-E196 PolarHBondContact OD1-N 2.93Å; D194-E197 HydrophobicContact CB-CB 4.06Å; D194-E197 HydrophobicContact CB-CG 3.87Å; D194-E197 PolarHBondContact OD1-N 3.37Å; D194-A198 PolarHBondContact O-N 2.85Å
195Q92.5Very high95.1Very high72 Ų7229.2 Ų29.234%0.33616%0.163SC..Hα-helixtrans-68.1-44.1-176-63156.80.400111.5E197 A198 L199 F234 I235Q195-E197 VanDerWaalsContact C-N 3.32Å; Q195-E197 PolarHBondContact O-N 2.93Å; Q195-A198 PolarHBondContact O-N 3.33Å; Q195-A198 VanDerWaalsContact O-N 3.17Å; Q195-L199 WeakPolarHBondContact O-CG 3.34Å; Q195-L199 PolarHBondContact O-N 2.82Å; Q195-F234 WeakPolarHBondContact CG-O 3.03Å; Q195-F234 PolarHBondContact NE2-O 2.85Å; Q195-I235 PolarHBondContact OE1-O 2.86Å
196E91.1Very high95.3Very high136 Ų13627.2 Ų27.264%0.63614%0.14SC*.Hα-helixtrans-63.9-41.4-178.4-65.3-175.4-179.800110.7D194 A198 A200D194-E196 PolarHBondContact OD1-N 2.93Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-A198 PolarHBondContact O-N 2.75Å; E196-A200 WeakPolarHBondContact O-CB 3.29Å; E196-A200 PolarHBondContact O-N 3.22Å
197E93.2Very high95.4Very high3 Ų325.7 Ų25.71%0.01413%0.133CC..Hα-helixtrans-59-46.8173.9-71.8-179.5174.600111.6L162 R170 F190 T192 D194 Q195 L201L162-E197 VanDerWaalsContact CB-OE1 3.29Å; L162-E197 WeakPolarHBondContact CB-OE1 3.36Å; L162-E197 HydrophobicContact CD1-CG 4.35Å; R170-E197 WeakPolarHBondContact CD-OE1 3.17Å; R170-E197 IonicContact NE-OE1 3.65Å; F190-E197 HydrophobicContact CE1-CB 4.02Å; F190-E197 VanDerWaalsContact CZ-OE2 3.31Å; F190-E197 WeakPolarHBondContact CZ-OE2 3.45Å; T192-E197 WeakPolarHBondContact CB-OE2 3.39Å; T192-E197 HydrophobicContact CG2-CB 4.21Å; T192-E197 PolarHBondContact OG1-OE2 2.84Å; D194-E197 HydrophobicContact CB-CB 4.06Å; D194-E197 HydrophobicContact CB-CG 3.87Å; D194-E197 PolarHBondContact OD1-N 3.37Å; Q195-E197 VanDerWaalsContact C-N 3.32Å; Q195-E197 PolarHBondContact O-N 2.93Å; E197-L201 WeakPolarHBondContact O-CB 3.19Å; E197-L201 VanDerWaalsContact O-CG 3.3Å; E197-L201 WeakPolarHBondContact O-CG 3.49Å; E197-L201 PolarHBondContact O-N 2.81Å
198A95Very high95.4Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-63.8-49.2-178.600000111.6T34 L36 T192 D194 Q195 E196 A200 L201 S202 L205T34-A198 HydrophobicContact CG2-CB 3.95Å; L36-A198 HydrophobicContact CB-CB 4.23Å; L36-A198 HydrophobicContact CD1-CB 4Å; L36-A198 HydrophobicContact CD2-CB 3.64Å; L36-A198 HydrophobicContact CG-CB 4.15Å; T192-A198 HydrophobicContact CG2-CB 4.02Å; D194-A198 PolarHBondContact O-N 2.85Å; Q195-A198 PolarHBondContact O-N 3.33Å; Q195-A198 VanDerWaalsContact O-N 3.17Å; E196-A198 VanDerWaalsContact C-N 3.34Å; E196-A198 PolarHBondContact O-N 2.75Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A198-A200 PolarHBondContact O-N 3.13Å; A198-L201 PolarHBondContact O-N 2.82Å; A198-S202 VanDerWaalsContact O-CB 3.24Å; A198-S202 WeakPolarHBondContact O-CB 3.39Å; A198-S202 PolarHBondContact O-N 2.64Å; A198-S202 PolarHBondContact O-OG 2.73Å; A198-L205 HydrophobicContact CB-CD2 3.8Å
199L94.1Very high95.3Very high47 Ų4728.8 Ų28.825%0.24615%0.146CC..Hα-helixtrans-63.7-38.1179.9-66.2171.7000112.1Q195 L205 P219 Y223 I235Q195-L199 WeakPolarHBondContact O-CG 3.34Å; Q195-L199 PolarHBondContact O-N 2.82Å; L199-L205 HydrophobicContact CD2-CD1 4.06Å; L199-P219 HydrophobicContact CD2-CB 3.86Å; L199-Y223 HydrophobicContact CD1-CD2 3.98Å; L199-Y223 HydrophobicContact CD1-CE2 4.36Å; L199-Y223 HydrophobicContact CD2-CD2 4.5Å; L199-I235 HydrophobicContact CD1-CG2 4.32Å; L199-I235 HydrophobicContact CD2-CG2 4.23Å
200A92.8Very high95.1Very high52 Ų5235 Ų3543%0.4318%0.179SC..Hα-helixtrans-76.4-35.6-179.200000113.7R178 E196 A198R178-A200 PolarHBondContact NE-O 3.39Å; R178-A200 PolarHBondContact NH2-O 2.98Å; E196-A200 WeakPolarHBondContact O-CB 3.29Å; E196-A200 PolarHBondContact O-N 3.22Å; A198-A200 VanDerWaalsContact C-N 3.34Å; A198-A200 PolarHBondContact O-N 3.13Å
201L94.5Very high94.9Very high1 Ų135.1 Ų35.11%0.00518%0.18CC..Hα-helixtrans-96.7-11.4-169-69.5-179.4000115.7F32 L162 Q174 L177 R178 F190 E197 A198F32-L201 WeakPolarHBondContact CB-O 3.41Å; F32-L201 HydrophobicContact CD1-CB 4.48Å; F32-L201 WeakPolarHBondContact CD1-O 3.37Å; F32-L201 WeakPolarHBondContact CD2-O 3.37Å; F32-L201 HydrophobicContact CE1-CB 3.87Å; F32-L201 WeakPolarHBondContact CE1-O 3.34Å; F32-L201 HydrophobicContact CE2-CB 4.49Å; F32-L201 WeakPolarHBondContact CG-O 3.24Å; F32-L201 HydrophobicContact CZ-CB 3.9Å; F32-L201 HydrophobicContact CZ-CD1 4.26Å; L162-L201 HydrophobicContact CD1-CD1 3.76Å; Q174-L201 HydrophobicContact CB-CD2 3.76Å; Q174-L201 HydrophobicContact CB-CG 4.32Å; Q174-L201 HydrophobicContact CG-CD1 4.13Å; Q174-L201 HydrophobicContact CG-CD2 4.15Å; Q174-L201 HydrophobicContact CG-CG 4.18Å; Q174-L201 VanDerWaalsContact O-CD2 3.29Å; Q174-L201 WeakPolarHBondContact O-CD2 3.39Å; L177-L201 HydrophobicContact CB-CD2 4.47Å; R178-L201 WeakPolarHBondContact CD-O 3.42Å; R178-L201 HydrophobicContact CG-CD2 3.72Å; R178-L201 VanDerWaalsContact NE-CA 3.3Å; R178-L201 PolarHBondContact NE-O 3.5Å; R178-L201 PolarHBondContact NH1-O 3.04Å; R178-L201 VanDerWaalsContact NH1-O 3.11Å; R178-L201 PolarHBondContact NH2-O 2.49Å; R178-L201 VanDerWaalsContact NH2-O 3.15Å; F190-L201 HydrophobicContact CD1-CD1 4.06Å; F190-L201 HydrophobicContact CE1-CD1 3.77Å; F190-L201 HydrophobicContact CZ-CD1 4.27Å; E197-L201 WeakPolarHBondContact O-CB 3.19Å; E197-L201 VanDerWaalsContact O-CG 3.3Å; E197-L201 WeakPolarHBondContact O-CG 3.49Å; E197-L201 PolarHBondContact O-N 2.81Å; A198-L201 PolarHBondContact O-N 2.82Å
202S96.1Very high94.8Very high3 Ų339.7 Ų39.72%0.02120%0.2CC..  trans-105.8141.6-167.6-44.40000113.3T34 R178 A198 F204 L205 P219T34-S202 WeakPolarHBondContact CB-OG 3.44Å; T34-S202 PolarHBondContact OG1-OG 2.97Å; R178-S202 PolarHBondContact NH2-O 2.9Å; A198-S202 VanDerWaalsContact O-CB 3.24Å; A198-S202 WeakPolarHBondContact O-CB 3.39Å; A198-S202 PolarHBondContact O-N 2.64Å; A198-S202 PolarHBondContact O-OG 2.73Å; S202-F204 WeakPolarHBondContact CB-O 3.4Å; S202-L205 WeakPolarHBondContact OG-CD2 3.26Å; S202-P219 VanDerWaalsContact O-CG 3.24Å; S202-P219 WeakPolarHBondContact O-CG 3.26Å
203D97.4Very high94.9Very high49 Ų4941 Ų4126%0.26221%0.207SC..SBendtrans-80.5-37.5159.5-56.2-38.6000109Y31 F32 R178 P219Y31-D203 WeakPolarHBondContact CA-OD2 3.44Å; Y31-D203 HydrophobicContact CD1-CB 4.01Å; F32-D203 PolarHBondContact N-OD2 3.34Å; F32-D203 PolarHBondContact O-N 3.14Å; R178-D203 IonicContact CZ-OD1 2.66Å; R178-D203 IonicContact NH1-OD1 3.83Å; R178-D203 PolarHBondContact NH1-OD1 3.43Å; R178-D203 IonicContact NH1-OD2 3.63Å; R178-D203 IonicContact NH2-OD1 2.79Å; D203-P219 WeakPolarHBondContact O-CD 3.31Å
204F98Very high95Very high50 Ų5039.2 Ų39.222%0.21920%0.199CC..EExtended strand (participates in β ladder)trans-138.5146.7175.6-57.6-81000112Y31 F32 Y33 T34 S202 F216 G217 T218Y31-F204 HydrophobicContact CD1-CD2 4.47Å; Y31-F204 AromaticContact CD1-CE2 3.85Å; Y31-F204 HydrophobicContact CD1-CE2 3.85Å; Y31-F204 HydrophobicContact CD2-CE2 4.29Å; Y31-F204 HydrophobicContact CE1-CE2 4.11Å; Y31-F204 HydrophobicContact CG-CD2 4.32Å; Y31-F204 AromaticContact CG-CE2 3.93Å; Y31-F204 HydrophobicContact CG-CE2 3.93Å; F32-F204 PolarHBondContact O-N 3.35Å; Y33-F204 CarbonylContact C-O 3.5Å; Y33-F204 WeakPolarHBondContact CA-O 3.32Å; Y33-F204 HydrophobicContact CD1-CB 3.68Å; Y33-F204 HydrophobicContact CD1-CD2 4.37Å; Y33-F204 HydrophobicContact CD1-CG 4.42Å; Y33-F204 HydrophobicContact CE1-CB 3.69Å; Y33-F204 AromaticContact CE1-CD2 3.73Å; Y33-F204 HydrophobicContact CE1-CD2 3.73Å; Y33-F204 AromaticContact CE1-CG 3.96Å; Y33-F204 HydrophobicContact CE1-CG 3.96Å; Y33-F204 AromaticContact CZ-CD2 3.92Å; T34-F204 PolarHBondContact N-O 3.27Å; S202-F204 WeakPolarHBondContact CB-O 3.4Å; F204-F216 HydrophobicContact CB-CE2 3.6Å; F204-F216 HydrophobicContact CB-CZ 3.99Å; F204-F216 HydrophobicContact CD1-CE2 4.38Å; F204-F216 AromaticContact CD1-CZ 3.98Å; F204-F216 HydrophobicContact CD1-CZ 3.98Å; F204-F216 HydrophobicContact CG-CE2 4.18Å; F204-F216 HydrophobicContact CG-CZ 4.05Å; F204-G217 CarbonylContact C-O 3.53Å; F204-G217 VanDerWaalsContact CA-O 3.3Å; F204-G217 WeakPolarHBondContact CA-O 3.4Å; F204-T218 HydrophobicContact CD1-CG2 4.05Å; F204-T218 HydrophobicContact CE1-CG2 3.87Å
205L97.2Very high95.1Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-118.9139.4179.8-62.8179.1000110T34 A198 L199 S202 F216 G217 P219 I222T34-L205 HydrophobicContact CG2-CD2 4.14Å; T34-L205 CarbonylContact O-C 3.54Å; T34-L205 WeakPolarHBondContact O-CA 3.05Å; A198-L205 HydrophobicContact CB-CD2 3.8Å; L199-L205 HydrophobicContact CD2-CD1 4.06Å; S202-L205 WeakPolarHBondContact OG-CD2 3.26Å; L205-F216 VanDerWaalsContact O-CA 3.28Å; L205-F216 WeakPolarHBondContact O-CA 3.44Å; L205-F216 VanDerWaalsContact O-CD2 3.3Å; L205-F216 WeakPolarHBondContact O-CD2 3.46Å; L205-G217 PolarHBondContact N-O 2.94Å; L205-G217 PolarHBondContact O-N 2.75Å; L205-G217 VanDerWaalsContact O-N 3.16Å; L205-P219 HydrophobicContact CD1-CB 4.32Å; L205-P219 HydrophobicContact CD1-CG 4.3Å; L205-P219 HydrophobicContact CG-CG 4.33Å; L205-I222 HydrophobicContact CB-CD1 3.5Å; L205-I222 HydrophobicContact CD1-CD1 4.33Å; L205-I222 HydrophobicContact CD1-CG2 4.48Å; L205-I222 HydrophobicContact CG-CD1 4.41Å
206F97.6Very high95.3Very high7 Ų737.5 Ų37.53%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-106.4121.5159.1-64.5-87.8000107.6I25 I27 Y33 T34 L35 L36 L208 I213 F216I25-F206 HydrophobicContact CB-CE1 4.47Å; I25-F206 HydrophobicContact CB-CZ 4.41Å; I25-F206 HydrophobicContact CG1-CD1 4.33Å; I25-F206 HydrophobicContact CG1-CE1 4.12Å; I25-F206 HydrophobicContact CG1-CZ 4.41Å; I25-F206 HydrophobicContact CG2-CE1 4.22Å; I25-F206 HydrophobicContact CG2-CE2 3.99Å; I25-F206 HydrophobicContact CG2-CZ 3.69Å; I27-F206 HydrophobicContact CG1-CE2 4.39Å; Y33-F206 HydrophobicContact CD1-CD2 4.45Å; Y33-F206 AromaticContact CD1-CE2 3.65Å; Y33-F206 HydrophobicContact CD1-CE2 3.65Å; Y33-F206 HydrophobicContact CD1-CZ 4.43Å; Y33-F206 HydrophobicContact CE1-CE2 4.26Å; Y33-F206 HydrophobicContact CG-CE2 4.48Å; T34-F206 PolarHBondContact O-N 2.92Å; L35-F206 HydrophobicContact CD2-CB 3.86Å; L35-F206 HydrophobicContact CD2-CD2 3.76Å; L35-F206 HydrophobicContact CD2-CG 4.05Å; L36-F206 PolarHBondContact N-O 3.41Å; F206-L208 HydrophobicContact CB-CD1 4.11Å; F206-L208 WeakPolarHBondContact O-CD1 3.43Å; F206-I213 HydrophobicContact CD1-CD1 3.94Å; F206-I213 HydrophobicContact CD1-CG1 4.39Å; F206-I213 HydrophobicContact CD1-CG2 4.3Å; F206-I213 HydrophobicContact CE1-CD1 4.43Å; F206-F216 HydrophobicContact CD1-CB 3.86Å; F206-F216 AromaticContact CD1-CD2 3.44Å; F206-F216 HydrophobicContact CD1-CD2 3.44Å; F206-F216 VanDerWaalsContact CD1-CD2 3.44Å; F206-F216 HydrophobicContact CD1-CE2 4.31Å; F206-F216 AromaticContact CD1-CG 3.94Å; F206-F216 HydrophobicContact CD1-CG 3.94Å; F206-F216 AromaticContact CD2-CD2 3.98Å; F206-F216 HydrophobicContact CD2-CD2 3.98Å; F206-F216 HydrophobicContact CD2-CE2 4.25Å; F206-F216 HydrophobicContact CE1-CB 3.94Å; F206-F216 AromaticContact CE1-CD2 3.14Å; F206-F216 HydrophobicContact CE1-CD2 3.14Å; F206-F216 AromaticContact CE1-CE2 3.7Å; F206-F216 HydrophobicContact CE1-CE2 3.7Å; F206-F216 AromaticContact CE1-CG 3.61Å; F206-F216 HydrophobicContact CE1-CG 3.61Å; F206-F216 AromaticContact CE2-CD2 3.74Å; F206-F216 HydrophobicContact CE2-CD2 3.74Å; F206-F216 AromaticContact CE2-CE2 3.64Å; F206-F216 HydrophobicContact CE2-CE2 3.64Å; F206-F216 AromaticContact CG-CD2 3.85Å; F206-F216 HydrophobicContact CG-CD2 3.85Å; F206-F216 AromaticContact CZ-CD2 3.3Å; F206-F216 HydrophobicContact CZ-CD2 3.3Å; F206-F216 AromaticContact CZ-CE2 3.32Å; F206-F216 HydrophobicContact CZ-CE2 3.32Å; F206-F216 HydrophobicContact CZ-CG 4.13Å; F206-F216 HydrophobicContact CZ-CZ 4.18Å
207V97.1Very high95.5Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-93.3122.3174.1-174.20000108.6L36 I213 Q214 Q215 I222 F230 V231 F234 I235L36-V207 CarbonylContact O-C 3.53Å; L36-V207 WeakPolarHBondContact O-CA 3.24Å; V207-I213 CarbonylContact O-C 3.6Å; V207-Q214 PolarHBondContact O-N 2.71Å; V207-Q215 PolarHBondContact N-O 3.2Å; V207-I222 HydrophobicContact CG2-CD1 4.1Å; V207-I222 HydrophobicContact CG2-CG2 3.94Å; V207-F230 HydrophobicContact CG1-CE1 3.99Å; V207-V231 HydrophobicContact CG1-CG1 4.47Å; V207-V231 HydrophobicContact CG1-CG2 4.19Å; V207-V231 HydrophobicContact CG2-CG1 4.3Å; V207-F234 HydrophobicContact CG1-CD1 4.31Å; V207-I235 HydrophobicContact CG2-CD1 3.99Å
208L96.8Very high95.7Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-114.5139.1-175.2-68.3102.1000112.5L35 L36 G37 P38 K43 I46 F206 K212 I213L35-L208 HydrophobicContact CB-CD1 3.92Å; L35-L208 HydrophobicContact CD2-CD1 4.25Å; L36-L208 PolarHBondContact O-N 2.84Å; G37-L208 WeakPolarHBondContact CA-O 3.14Å; P38-L208 VanDerWaalsContact CD-O 3.3Å; P38-L208 WeakPolarHBondContact CD-O 3.36Å; K43-L208 HydrophobicContact CG-CD1 4.41Å; I46-L208 HydrophobicContact CD1-CD2 3.34Å; F206-L208 HydrophobicContact CB-CD1 4.11Å; F206-L208 WeakPolarHBondContact O-CD1 3.43Å; L208-K212 WeakPolarHBondContact CA-O 3.14Å; L208-I213 HydrophobicContact CD2-CG1 4.49Å; L208-I213 HydrophobicContact CG-CG1 4.41Å
209K95.1Very high95.7Very high66 Ų6634.2 Ų34.229%0.28718%0.18SC..EExtended strand (participates in β ladder)trans-143.9134.9172.1-166.2-167.4-176171.90110G211 K212 Q214 F230K209-G211 PolarHBondContact O-N 3.06Å; K209-K212 PolarHBondContact N-O 2.96Å; K209-K212 PolarHBondContact O-N 2.75Å; K209-K212 VanDerWaalsContact O-O 3.13Å; K209-Q214 HydrophobicContact CB-CG 3.5Å; K209-Q214 VanDerWaalsContact CB-CG 3.5Å; K209-F230 HydrophobicContact CB-CD1 4.09Å; K209-F230 HydrophobicContact CB-CE1 3.56Å; K209-F230 HydrophobicContact CB-CE2 4.31Å; K209-F230 HydrophobicContact CB-CZ 3.67Å; K209-F230 HydrophobicContact CD-CB 4.29Å; K209-F230 HydrophobicContact CD-CD1 3.78Å; K209-F230 HydrophobicContact CD-CD2 3.61Å; K209-F230 HydrophobicContact CD-CE1 3.96Å; K209-F230 HydrophobicContact CD-CE2 3.77Å; K209-F230 HydrophobicContact CD-CG 3.59Å; K209-F230 HydrophobicContact CD-CZ 3.94Å; K209-F230 HydrophobicContact CG-CD1 4.28Å; K209-F230 HydrophobicContact CG-CD2 4.17Å; K209-F230 HydrophobicContact CG-CE1 3.94Å; K209-F230 HydrophobicContact CG-CE2 3.79Å; K209-F230 HydrophobicContact CG-CG 4.38Å; K209-F230 HydrophobicContact CG-CZ 3.66Å
210D93.1Very high95.7Very high132 Ų13236 Ų3671%0.70619%0.194SC*.THydrogen-bonded Turntrans48.339.7171.9-56.4-34.5000114K212D210-K212 VanDerWaalsContact C-N 3.34Å; D210-K212 PolarHBondContact O-N 3.36Å
211G93.9Very high95.7Very high2 Ų237.3 Ų37.32%0.02119%0.193CC..THydrogen-bonded Turntrans7714.4178.500000115.6I19 D21 I23 C41 K209I19-G211 WeakPolarHBondContact O-CA 3.31Å; D21-G211 PolarHBondContact N-O 2.83Å; I23-G211 WeakPolarHBondContact CD1-O 3.49Å; C41-G211 WeakPolarHBondContact O-CA 3.49Å; C41-G211 PolarHBondContact O-N 3.4Å; K209-G211 PolarHBondContact O-N 3.06Å
212K95.2Very high95.6Very high96 Ų9637.3 Ų37.342%0.41719%0.193SC..EExtended strand (participates in β ladder)trans-126.3148.9176.4-62.8-168.9177-164.60111.3D21 L208 K209 D210D21-K212 HydrophobicContact CB-CG 4.43Å; D21-K212 WeakPolarHBondContact OD2-CE 3.46Å; D21-K212 IonicContact OD2-NZ 3.04Å; D21-K212 PolarHBondContact OD2-NZ 3.04Å; L208-K212 WeakPolarHBondContact CA-O 3.14Å; K209-K212 PolarHBondContact N-O 2.96Å; K209-K212 PolarHBondContact O-N 2.75Å; K209-K212 VanDerWaalsContact O-O 3.13Å; D210-K212 VanDerWaalsContact C-N 3.34Å; D210-K212 PolarHBondContact O-N 3.36Å
213I95.6Very high95.5Very high29 Ų2939.5 Ų39.515%0.14920%0.201CC..EExtended strand (participates in β ladder)trans-72.5135.2163.7-65.5160000107I23 D24 I25 F206 V207 L208I23-I213 HydrophobicContact CD1-CG1 4.27Å; I23-I213 HydrophobicContact CG2-CD1 4.16Å; D24-I213 WeakPolarHBondContact O-CD1 3.46Å; I25-I213 HydrophobicContact CD1-CD1 4.13Å; I25-I213 HydrophobicContact CG1-CD1 3.53Å; F206-I213 HydrophobicContact CD1-CD1 3.94Å; F206-I213 HydrophobicContact CD1-CG1 4.39Å; F206-I213 HydrophobicContact CD1-CG2 4.3Å; F206-I213 HydrophobicContact CE1-CD1 4.43Å; V207-I213 CarbonylContact O-C 3.6Å; L208-I213 HydrophobicContact CD2-CG1 4.49Å; L208-I213 HydrophobicContact CG-CG1 4.41Å
214Q95.3Very high95.1Very high43 Ų4340.1 Ų40.120%0.20121%0.205CC..EExtended strand (participates in β ladder)trans-101.6-36.3176.9-61.4-62.1-89.100110.7V207 K209 V227 F230 V231V207-Q214 PolarHBondContact O-N 2.71Å; K209-Q214 HydrophobicContact CB-CG 3.5Å; K209-Q214 VanDerWaalsContact CB-CG 3.5Å; Q214-V227 VanDerWaalsContact O-CG1 3.23Å; Q214-V227 WeakPolarHBondContact O-CG1 3.43Å; Q214-F230 HydrophobicContact CB-CD1 4.47Å; Q214-F230 HydrophobicContact CG-CD1 3.95Å; Q214-F230 HydrophobicContact CG-CE1 3.98Å; Q214-V231 HydrophobicContact CB-CG2 3.86Å
215Q95.9Very high94.6Very high3 Ų339.4 Ų39.41%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-161.3146.2178.4-166.9169.2-3.700110V207 I222 E225 V227 V231 E348V207-Q215 PolarHBondContact N-O 3.2Å; Q215-I222 HydrophobicContact CG-CG1 3.98Å; Q215-E225 PolarHBondContact NE2-O 3.15Å; Q215-V227 HydrophobicContact CB-CG1 3.86Å; Q215-V227 HydrophobicContact CG-CB 4.47Å; Q215-V227 HydrophobicContact CG-CG1 4.12Å; Q215-V231 HydrophobicContact CB-CG2 4.18Å; Q215-E348 VanDerWaalsContact C-OE1 3.28Å; Q215-E348 WeakPolarHBondContact CA-OE1 3.41Å
216F96.2Very high94.5Very high69 Ų6939.6 Ų39.630%0.30320%0.203SC..EExtended strand (participates in β ladder)trans-124.4140.1169.6170-108.5000109.8Y33 F204 L205 F206 E348Y33-F216 HydrophobicContact CD1-CE2 4.18Å; Y33-F216 AromaticContact CE1-CE2 3.93Å; Y33-F216 HydrophobicContact CE1-CE2 3.93Å; Y33-F216 HydrophobicContact CE1-CZ 4.11Å; F204-F216 HydrophobicContact CB-CE2 3.6Å; F204-F216 HydrophobicContact CB-CZ 3.99Å; F204-F216 HydrophobicContact CD1-CE2 4.38Å; F204-F216 AromaticContact CD1-CZ 3.98Å; F204-F216 HydrophobicContact CD1-CZ 3.98Å; F204-F216 HydrophobicContact CG-CE2 4.18Å; F204-F216 HydrophobicContact CG-CZ 4.05Å; L205-F216 VanDerWaalsContact O-CA 3.28Å; L205-F216 WeakPolarHBondContact O-CA 3.44Å; L205-F216 VanDerWaalsContact O-CD2 3.3Å; L205-F216 WeakPolarHBondContact O-CD2 3.46Å; F206-F216 HydrophobicContact CD1-CB 3.86Å; F206-F216 AromaticContact CD1-CD2 3.44Å; F206-F216 HydrophobicContact CD1-CD2 3.44Å; F206-F216 VanDerWaalsContact CD1-CD2 3.44Å; F206-F216 HydrophobicContact CD1-CE2 4.31Å; F206-F216 AromaticContact CD1-CG 3.94Å; F206-F216 HydrophobicContact CD1-CG 3.94Å; F206-F216 AromaticContact CD2-CD2 3.98Å; F206-F216 HydrophobicContact CD2-CD2 3.98Å; F206-F216 HydrophobicContact CD2-CE2 4.25Å; F206-F216 HydrophobicContact CE1-CB 3.94Å; F206-F216 AromaticContact CE1-CD2 3.14Å; F206-F216 HydrophobicContact CE1-CD2 3.14Å; F206-F216 AromaticContact CE1-CE2 3.7Å; F206-F216 HydrophobicContact CE1-CE2 3.7Å; F206-F216 AromaticContact CE1-CG 3.61Å; F206-F216 HydrophobicContact CE1-CG 3.61Å; F206-F216 AromaticContact CE2-CD2 3.74Å; F206-F216 HydrophobicContact CE2-CD2 3.74Å; F206-F216 AromaticContact CE2-CE2 3.64Å; F206-F216 HydrophobicContact CE2-CE2 3.64Å; F206-F216 AromaticContact CG-CD2 3.85Å; F206-F216 HydrophobicContact CG-CD2 3.85Å; F206-F216 AromaticContact CZ-CD2 3.3Å; F206-F216 HydrophobicContact CZ-CD2 3.3Å; F206-F216 AromaticContact CZ-CE2 3.32Å; F206-F216 HydrophobicContact CZ-CE2 3.32Å; F206-F216 HydrophobicContact CZ-CG 4.13Å; F206-F216 HydrophobicContact CZ-CZ 4.18Å; F216-E348 WeakPolarHBondContact CB-OE1 3.27Å; F216-E348 PolarHBondContact N-OE1 3.14Å
217G95.7Very high94.3Very high10 Ų1039.4 Ų39.410%0.10320%0.202CC..EExtended strand (participates in β ladder)trans170.8-176-179.400000112.8F204 L205F204-G217 CarbonylContact C-O 3.53Å; F204-G217 VanDerWaalsContact CA-O 3.3Å; F204-G217 WeakPolarHBondContact CA-O 3.4Å; L205-G217 PolarHBondContact N-O 2.94Å; L205-G217 PolarHBondContact O-N 2.75Å; L205-G217 VanDerWaalsContact O-N 3.16Å
218T96.7Very high94.1Very high40 Ų4041.4 Ų41.425%0.24521%0.213CC..  trans-72.9162.1170.674.10000110.4F204 T220 D221 I222F204-T218 HydrophobicContact CD1-CG2 4.05Å; F204-T218 HydrophobicContact CE1-CG2 3.87Å; T218-T220 PolarHBondContact O-N 2.96Å; T218-D221 VanDerWaalsContact CB-OD2 3.31Å; T218-D221 WeakPolarHBondContact CB-OD2 3.36Å; T218-D221 WeakPolarHBondContact CG2-OD2 3.29Å; T218-D221 PolarHBondContact N-OD2 3.37Å; T218-D221 PolarHBondContact O-N 2.83Å; T218-D221 PolarHBondContact OG1-N 2.93Å; T218-D221 PolarHBondContact OG1-OD1 3.36Å; T218-D221 PolarHBondContact OG1-OD2 3.29Å; T218-I222 PolarHBondContact O-N 2.82Å; T218-I222 VanDerWaalsContact O-N 3.07Å
219P96.2Very high94Very high20 Ų2046.2 Ų46.213%0.1323%0.231CC..Hα-helixtrans-52.1-38173-31.137.4000114.3L199 S202 D203 L205 Y223L199-P219 HydrophobicContact CD2-CB 3.86Å; S202-P219 VanDerWaalsContact O-CG 3.24Å; S202-P219 WeakPolarHBondContact O-CG 3.26Å; D203-P219 WeakPolarHBondContact O-CD 3.31Å; L205-P219 HydrophobicContact CD1-CB 4.32Å; L205-P219 HydrophobicContact CD1-CG 4.3Å; L205-P219 HydrophobicContact CG-CG 4.33Å; P219-Y223 VanDerWaalsContact O-CB 3.31Å; P219-Y223 WeakPolarHBondContact O-CB 3.4Å; P219-Y223 PolarHBondContact O-N 2.7Å; P219-Y223 VanDerWaalsContact O-N 3.12Å
220T93.1Very high93.9Very high85 Ų8544.7 Ų44.752%0.52123%0.225SC..Hα-helixtrans-70.1-49179.7-59.20000110.5T218 I222 Y223 D224T218-T220 PolarHBondContact O-N 2.96Å; T220-I222 VanDerWaalsContact C-N 3.29Å; T220-I222 PolarHBondContact O-N 3.15Å; T220-Y223 PolarHBondContact O-N 3.01Å; T220-D224 WeakPolarHBondContact CG2-OD2 3.27Å; T220-D224 WeakPolarHBondContact O-CB 3.5Å; T220-D224 PolarHBondContact O-N 3.31Å
221D92.3Very high94Very high79 Ų7938.4 Ų38.442%0.42219%0.191SC..Hα-helixtrans-59.9-40.7-179.9-47.8-33.6000111.8T218 Y223 E225T218-D221 VanDerWaalsContact CB-OD2 3.31Å; T218-D221 WeakPolarHBondContact CB-OD2 3.36Å; T218-D221 WeakPolarHBondContact CG2-OD2 3.29Å; T218-D221 PolarHBondContact N-OD2 3.37Å; T218-D221 PolarHBondContact O-N 2.83Å; T218-D221 PolarHBondContact OG1-N 2.93Å; T218-D221 PolarHBondContact OG1-OD1 3.36Å; T218-D221 PolarHBondContact OG1-OD2 3.29Å; D221-Y223 VanDerWaalsContact C-N 3.33Å; D221-E225 CarbonylContact O-C 3.56Å; D221-E225 VanDerWaalsContact O-C 3.3Å; D221-E225 VanDerWaalsContact O-CA 3.27Å; D221-E225 WeakPolarHBondContact O-CA 3.31Å; D221-E225 WeakPolarHBondContact O-CB 3.29Å; D221-E225 PolarHBondContact O-N 3.37Å
222I93.9Very high94.1Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-72-29.2179.1-78.8163.9000112.4L205 V207 Q215 T218 T220 V231 I235L205-I222 HydrophobicContact CB-CD1 3.5Å; L205-I222 HydrophobicContact CD1-CD1 4.33Å; L205-I222 HydrophobicContact CD1-CG2 4.48Å; L205-I222 HydrophobicContact CG-CD1 4.41Å; V207-I222 HydrophobicContact CG2-CD1 4.1Å; V207-I222 HydrophobicContact CG2-CG2 3.94Å; Q215-I222 HydrophobicContact CG-CG1 3.98Å; T218-I222 PolarHBondContact O-N 2.82Å; T218-I222 VanDerWaalsContact O-N 3.07Å; T220-I222 VanDerWaalsContact C-N 3.29Å; T220-I222 PolarHBondContact O-N 3.15Å; I222-V231 HydrophobicContact CG2-CG1 4.01Å; I222-I235 HydrophobicContact CG2-CD1 3.66Å; I222-I235 HydrophobicContact CG2-CG1 3.57Å; I222-I235 HydrophobicContact CG2-CG2 4.3Å
223Y92.8Very high93.9Very high50 Ų5037.6 Ų37.620%0.19619%0.191CC..Hα-helixtrans-77.1-49.4177.6-165.2-92.9000111.6L199 P219 T220 D221 I235 R276 E278L199-Y223 HydrophobicContact CD1-CD2 3.98Å; L199-Y223 HydrophobicContact CD1-CE2 4.36Å; L199-Y223 HydrophobicContact CD2-CD2 4.5Å; P219-Y223 VanDerWaalsContact O-CB 3.31Å; P219-Y223 WeakPolarHBondContact O-CB 3.4Å; P219-Y223 PolarHBondContact O-N 2.7Å; P219-Y223 VanDerWaalsContact O-N 3.12Å; T220-Y223 PolarHBondContact O-N 3.01Å; D221-Y223 VanDerWaalsContact C-N 3.33Å; Y223-I235 HydrophobicContact CD2-CG2 3.66Å; Y223-I235 HydrophobicContact CE2-CG2 4.31Å; Y223-R276 HydrophobicContact CE1-CG 3.83Å; Y223-R276 PolarHBondContact O-NE 2.94Å; Y223-R276 PolarHBondContact O-NH2 2.94Å; Y223-E278 PolarHBondContact OH-OE1 2.94Å
224D88.5Confident93.8Very high62 Ų6237.8 Ų37.833%0.33219%0.191SC..Hα-helixtrans-80.6-42.3-173.6-62.1-15.7000109.9T220 P226 H340T220-D224 WeakPolarHBondContact CG2-OD2 3.27Å; T220-D224 WeakPolarHBondContact O-CB 3.5Å; T220-D224 PolarHBondContact O-N 3.31Å; D224-P226 WeakPolarHBondContact O-CD 3.13Å; D224-H340 WeakPolarHBondContact O-CB 3.19Å; D224-H340 PolarHBondContact O-CD2 2.85Å; D224-H340 PolarHBondContact O-CE1 2.9Å; D224-H340 VanDerWaalsContact O-CE1 3.31Å; D224-H340 PolarHBondContact O-ND1 3.49Å
225E89.4Confident93.7Very high35 Ų3535.9 Ų35.916%0.16418%0.182CC..SBendtrans-119.968-173.3-60.3-62.9155.100112.2Q215 D221 V227 H340 F351Q215-E225 PolarHBondContact NE2-O 3.15Å; D221-E225 CarbonylContact O-C 3.56Å; D221-E225 VanDerWaalsContact O-C 3.3Å; D221-E225 VanDerWaalsContact O-CA 3.27Å; D221-E225 WeakPolarHBondContact O-CA 3.31Å; D221-E225 WeakPolarHBondContact O-CB 3.29Å; D221-E225 PolarHBondContact O-N 3.37Å; E225-V227 PolarHBondContact O-N 2.63Å; E225-H340 IonicContact OE1-CE1 3.72Å; E225-H340 IonicContact OE1-ND1 3.15Å; E225-H340 PolarHBondContact OE1-ND1 2.82Å; E225-F351 HydrophobicContact CB-CE2 4.49Å; E225-F351 HydrophobicContact CB-CZ 3.81Å; E225-F351 WeakPolarHBondContact O-CZ 3.35Å
226P93.6Very high93.2Very high3 Ų336.1 Ų36.12%0.01919%0.185CC..  trans-69.7129.9177.329-33.8000111D224 N228 V231 A232 V274 M342D224-P226 WeakPolarHBondContact O-CD 3.13Å; P226-N228 VanDerWaalsContact C-N 3.26Å; P226-N228 PolarHBondContact O-N 3.33Å; P226-V231 HydrophobicContact CB-CB 4.07Å; P226-V231 HydrophobicContact CB-CG1 4.03Å; P226-A232 HydrophobicContact CB-CB 3.84Å; P226-A232 HydrophobicContact CG-CB 3.67Å; P226-V274 HydrophobicContact CG-CG2 4.47Å; P226-M342 HydrophobicContact CB-SD 4.36Å; P226-M342 HydrophobicContact CG-CG 4.48Å; P226-M342 HydrophobicContact CG-SD 4.04Å; P226-M342 VanDerWaalsContact O-CG 3.26Å; P226-M342 WeakPolarHBondContact O-CG 3.49Å
227V93.5Very high92.8Very high3 Ų337 Ų372%0.01819%0.191CC..SBendtrans-68-24.9-17867.10000113.6Q214 Q215 E225 V231 F351Q214-V227 VanDerWaalsContact O-CG1 3.23Å; Q214-V227 WeakPolarHBondContact O-CG1 3.43Å; Q215-V227 HydrophobicContact CB-CG1 3.86Å; Q215-V227 HydrophobicContact CG-CB 4.47Å; Q215-V227 HydrophobicContact CG-CG1 4.12Å; E225-V227 PolarHBondContact O-N 2.63Å; V227-V231 HydrophobicContact CG1-CG2 4.15Å; V227-F351 HydrophobicContact CB-CB 4.43Å; V227-F351 HydrophobicContact CB-CD1 4.27Å; V227-F351 HydrophobicContact CB-CD2 4.13Å; V227-F351 HydrophobicContact CB-CE2 4.49Å; V227-F351 HydrophobicContact CB-CG 4.02Å; V227-F351 HydrophobicContact CG2-CB 3.54Å; V227-F351 HydrophobicContact CG2-CD1 4.24Å; V227-F351 HydrophobicContact CG2-CD2 3.92Å; V227-F351 HydrophobicContact CG2-CG 3.64Å
228N93.6Very high92.6Very high43 Ų4337.7 Ų37.723%0.2319%0.193CC..SBendtrans-153.8164.3179.566.561.9000112.9P226 F230 V231 A232P226-N228 VanDerWaalsContact C-N 3.26Å; P226-N228 PolarHBondContact O-N 3.33Å; N228-F230 PolarHBondContact O-N 3.02Å; N228-F230 VanDerWaalsContact O-N 3.11Å; N228-F230 WeakPolarHBondContact OD1-CA 3.33Å; N228-F230 VanDerWaalsContact OD1-CB 3.31Å; N228-F230 WeakPolarHBondContact OD1-CB 3.37Å; N228-F230 PolarHBondContact OD1-N 2.99Å; N228-V231 PolarHBondContact O-N 2.82Å; N228-V231 PolarHBondContact OD1-N 2.87Å; N228-V231 VanDerWaalsContact OD1-N 3.11Å; N228-A232 PolarHBondContact O-N 3.19Å
229R94Very high92.5Very high101 Ų10136.2 Ų36.238%0.38118%0.184SC..Hα-helixtrans-49.7-38.5179.6175.4179.6-77.6-103.84.9113.8A232 D233 I240 E272 M342R229-A232 PolarHBondContact O-N 2.87Å; R229-D233 VanDerWaalsContact CG-OD2 3.32Å; R229-D233 WeakPolarHBondContact CG-OD2 3.49Å; R229-D233 WeakPolarHBondContact O-CB 3.32Å; R229-D233 PolarHBondContact O-N 2.82Å; R229-I240 HydrophobicContact CB-CD1 4.43Å; R229-I240 HydrophobicContact CG-CD1 3.82Å; R229-E272 IonicContact CZ-OE1 2.74Å; R229-E272 VanDerWaalsContact CZ-OE1 3.24Å; R229-E272 IonicContact NE-OE1 3.53Å; R229-E272 PolarHBondContact NE-OE1 2.66Å; R229-E272 IonicContact NE-OE2 3.75Å; R229-E272 IonicContact NH2-OE1 2.9Å; R229-E272 PolarHBondContact NH2-OE1 2.98Å; R229-M342 HydrophobicContact CB-CE 4.09Å; R229-M342 PolarHBondContact N-SD 2.74Å; R229-M342 VanDerWaalsContact N-SD 3.44Å
230F94.3Very high92.4Very high33 Ų3336.6 Ų36.615%0.14519%0.185CC..Hα-helixtrans-65.7-43.3178.6164.4-92.6000111.4P38 V207 K209 Q214 N228 F234P38-F230 HydrophobicContact CG-CE2 3.96Å; P38-F230 HydrophobicContact CG-CZ 3.88Å; V207-F230 HydrophobicContact CG1-CE1 3.99Å; K209-F230 HydrophobicContact CB-CD1 4.09Å; K209-F230 HydrophobicContact CB-CE1 3.56Å; K209-F230 HydrophobicContact CB-CE2 4.31Å; K209-F230 HydrophobicContact CB-CZ 3.67Å; K209-F230 HydrophobicContact CD-CB 4.29Å; K209-F230 HydrophobicContact CD-CD1 3.78Å; K209-F230 HydrophobicContact CD-CD2 3.61Å; K209-F230 HydrophobicContact CD-CE1 3.96Å; K209-F230 HydrophobicContact CD-CE2 3.77Å; K209-F230 HydrophobicContact CD-CG 3.59Å; K209-F230 HydrophobicContact CD-CZ 3.94Å; K209-F230 HydrophobicContact CG-CD1 4.28Å; K209-F230 HydrophobicContact CG-CD2 4.17Å; K209-F230 HydrophobicContact CG-CE1 3.94Å; K209-F230 HydrophobicContact CG-CE2 3.79Å; K209-F230 HydrophobicContact CG-CG 4.38Å; K209-F230 HydrophobicContact CG-CZ 3.66Å; Q214-F230 HydrophobicContact CB-CD1 4.47Å; Q214-F230 HydrophobicContact CG-CD1 3.95Å; Q214-F230 HydrophobicContact CG-CE1 3.98Å; N228-F230 PolarHBondContact O-N 3.02Å; N228-F230 VanDerWaalsContact O-N 3.11Å; N228-F230 WeakPolarHBondContact OD1-CA 3.33Å; N228-F230 VanDerWaalsContact OD1-CB 3.31Å; N228-F230 WeakPolarHBondContact OD1-CB 3.37Å; N228-F230 PolarHBondContact OD1-N 2.99Å; F230-F234 HydrophobicContact CD2-CB 4.42Å; F230-F234 HydrophobicContact CE1-CB 4.34Å; F230-F234 HydrophobicContact CE1-CG 4.49Å; F230-F234 HydrophobicContact CE2-CB 4.1Å; F230-F234 HydrophobicContact CE2-CD2 4.36Å; F230-F234 HydrophobicContact CE2-CG 4.19Å; F230-F234 HydrophobicContact CZ-CB 4.05Å; F230-F234 HydrophobicContact CZ-CD1 4.23Å; F230-F234 HydrophobicContact CZ-CD2 4.37Å; F230-F234 AromaticContact CZ-CG 3.93Å; F230-F234 HydrophobicContact CZ-CG 3.93Å; F230-F234 WeakPolarHBondContact O-CA 3.3Å; F230-F234 WeakPolarHBondContact O-CB 3.46Å; F230-F234 PolarHBondContact O-N 3.22Å
231V95.3Very high92.3Very high0 Ų032.8 Ų32.80%016%0.162CC..Hα-helixtrans-64.5-45.5176.5-1760000110.2V207 Q214 Q215 I222 P226 V227 N228 D233 F234 I235V207-V231 HydrophobicContact CG1-CG1 4.47Å; V207-V231 HydrophobicContact CG1-CG2 4.19Å; V207-V231 HydrophobicContact CG2-CG1 4.3Å; Q214-V231 HydrophobicContact CB-CG2 3.86Å; Q215-V231 HydrophobicContact CB-CG2 4.18Å; I222-V231 HydrophobicContact CG2-CG1 4.01Å; P226-V231 HydrophobicContact CB-CB 4.07Å; P226-V231 HydrophobicContact CB-CG1 4.03Å; V227-V231 HydrophobicContact CG1-CG2 4.15Å; N228-V231 PolarHBondContact O-N 2.82Å; N228-V231 PolarHBondContact OD1-N 2.87Å; N228-V231 VanDerWaalsContact OD1-N 3.11Å; V231-D233 PolarHBondContact O-N 3.37Å; V231-F234 PolarHBondContact O-N 2.87Å; V231-I235 HydrophobicContact CG1-CG1 3.77Å; V231-I235 WeakPolarHBondContact O-CB 3.43Å; V231-I235 VanDerWaalsContact O-CG1 3.26Å; V231-I235 WeakPolarHBondContact O-CG1 3.46Å; V231-I235 PolarHBondContact O-N 3.25Å
232A94.2Very high92.3Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-55.4-51.1178.300000112.5P226 N228 R229 S238 I240 V274 R276 M342P226-A232 HydrophobicContact CB-CB 3.84Å; P226-A232 HydrophobicContact CG-CB 3.67Å; N228-A232 PolarHBondContact O-N 3.19Å; R229-A232 PolarHBondContact O-N 2.87Å; A232-S238 PolarHBondContact O-OG 2.82Å; A232-S238 VanDerWaalsContact O-OG 3.11Å; A232-I240 HydrophobicContact CB-CD1 4.04Å; A232-V274 HydrophobicContact CB-CG1 4.3Å; A232-V274 HydrophobicContact CB-CG2 4.09Å; A232-R276 PolarHBondContact O-NH1 2.93Å; A232-M342 HydrophobicContact CB-CE 4.28Å; A232-M342 HydrophobicContact CB-SD 3.86Å
233D92.6Very high92.3Very high81 Ų8134.3 Ų34.343%0.43317%0.167SC..Hα-helixtrans-72-29179.7-72.6-28.6000112.9R229 V231 I240R229-D233 VanDerWaalsContact CG-OD2 3.32Å; R229-D233 WeakPolarHBondContact CG-OD2 3.49Å; R229-D233 WeakPolarHBondContact O-CB 3.32Å; R229-D233 PolarHBondContact O-N 2.82Å; V231-D233 PolarHBondContact O-N 3.37Å; D233-I240 WeakPolarHBondContact OD1-CD1 2.97Å
234F93.2Very high92.5Very high34 Ų3438.1 Ų38.115%0.14918%0.182CC..Hα-helixtrans-88.1-22-175.6-172.8-104.8000113.6L36 P38 Q195 V207 F230 V231L36-F234 HydrophobicContact CD1-CE1 3.9Å; L36-F234 HydrophobicContact CD1-CZ 4.42Å; L36-F234 HydrophobicContact CD2-CE1 4.47Å; L36-F234 HydrophobicContact CG-CE1 3.85Å; P38-F234 HydrophobicContact CB-CE2 4.36Å; P38-F234 HydrophobicContact CG-CD2 4.06Å; P38-F234 HydrophobicContact CG-CE2 3.68Å; P38-F234 HydrophobicContact CG-CZ 4.06Å; Q195-F234 WeakPolarHBondContact CG-O 3.03Å; Q195-F234 PolarHBondContact NE2-O 2.85Å; V207-F234 HydrophobicContact CG1-CD1 4.31Å; F230-F234 HydrophobicContact CD2-CB 4.42Å; F230-F234 HydrophobicContact CE1-CB 4.34Å; F230-F234 HydrophobicContact CE1-CG 4.49Å; F230-F234 HydrophobicContact CE2-CB 4.1Å; F230-F234 HydrophobicContact CE2-CD2 4.36Å; F230-F234 HydrophobicContact CE2-CG 4.19Å; F230-F234 HydrophobicContact CZ-CB 4.05Å; F230-F234 HydrophobicContact CZ-CD1 4.23Å; F230-F234 HydrophobicContact CZ-CD2 4.37Å; F230-F234 AromaticContact CZ-CG 3.93Å; F230-F234 HydrophobicContact CZ-CG 3.93Å; F230-F234 WeakPolarHBondContact O-CA 3.3Å; F230-F234 WeakPolarHBondContact O-CB 3.46Å; F230-F234 PolarHBondContact O-N 3.22Å; V231-F234 PolarHBondContact O-N 2.87Å
235I92.3Very high92.9Very high2 Ų235.1 Ų35.11%0.0117%0.166CC..Hα-helixtrans-90.3-32.7179.7-66.3-66.1000112L36 Q195 L199 V207 I222 Y223 V231L36-I235 HydrophobicContact CD2-CD1 3.25Å; L36-I235 HydrophobicContact CG-CD1 4.45Å; Q195-I235 PolarHBondContact OE1-O 2.86Å; L199-I235 HydrophobicContact CD1-CG2 4.32Å; L199-I235 HydrophobicContact CD2-CG2 4.23Å; V207-I235 HydrophobicContact CG2-CD1 3.99Å; I222-I235 HydrophobicContact CG2-CD1 3.66Å; I222-I235 HydrophobicContact CG2-CG1 3.57Å; I222-I235 HydrophobicContact CG2-CG2 4.3Å; Y223-I235 HydrophobicContact CD2-CG2 3.66Å; Y223-I235 HydrophobicContact CE2-CG2 4.31Å; V231-I235 HydrophobicContact CG1-CG1 3.77Å; V231-I235 WeakPolarHBondContact O-CB 3.43Å; V231-I235 VanDerWaalsContact O-CG1 3.26Å; V231-I235 WeakPolarHBondContact O-CG1 3.46Å; V231-I235 PolarHBondContact O-N 3.25Å
236G85.8Confident93.2Very high9 Ų935.8 Ų35.89%0.09317%0.172CC..SBendtrans-163.4170.3179.900000111R276G236-R276 PolarHBondContact O-NH1 3.34Å
237E86.9Confident93.3Very high88 Ų8843 Ų4341%0.41120%0.199SC..  trans-65.5143.8171.3-65.7-176.5175.900109.6R276 P277 Q319E237-R276 WeakPolarHBondContact O-CD 3.21Å; E237-R276 PolarHBondContact O-NH1 2.84Å; E237-P277 HydrophobicContact CB-CG 3.89Å; E237-P277 WeakPolarHBondContact O-CD 3.22Å; E237-Q319 PolarHBondContact OE2-NE2 3.44Å
238S92.3Very high93.3Very high23 Ų2346.2 Ų46.216%0.16122%0.216CC..  trans-144.6140.1-174.8-65.50000111A232 R276A232-S238 PolarHBondContact O-OG 2.82Å; A232-S238 VanDerWaalsContact O-OG 3.11Å; S238-R276 PolarHBondContact OG-NH1 3.1Å
239N94.4Very high93.3Very high9 Ų949 Ų495%0.04822%0.224CC..EExtended strand (participates in β ladder)trans-89.5113.9158.7-62.1-79.6000107.9V274 I275 I280 W316 V317N239-V274 WeakPolarHBondContact O-CA 3.21Å; N239-I275 WeakPolarHBondContact CB-O 3.42Å; N239-I275 PolarHBondContact N-O 3.41Å; N239-I275 PolarHBondContact ND2-O 3.31Å; N239-I275 PolarHBondContact O-N 2.95Å; N239-I280 VanDerWaalsContact ND2-CD1 3.33Å; N239-I280 WeakPolarHBondContact ND2-CD1 3.29Å; N239-W316 HydrophobicContact CB-CE3 3.89Å; N239-W316 HydrophobicContact CB-CZ3 4.01Å; N239-W316 WeakPolarHBondContact OD1-CA 3.42Å; N239-V317 PolarHBondContact ND2-O 3.41Å; N239-V317 PolarHBondContact OD1-N 2.78Å
240I93.5Very high93.4Very high29 Ų2944.9 Ų44.915%0.14921%0.21CC..EExtended strand (participates in β ladder)trans-113110.5-179.9-51.8-178.1000109.5R229 A232 D233 E272 V273 V274 M342R229-I240 HydrophobicContact CB-CD1 4.43Å; R229-I240 HydrophobicContact CG-CD1 3.82Å; A232-I240 HydrophobicContact CB-CD1 4.04Å; D233-I240 WeakPolarHBondContact OD1-CD1 2.97Å; I240-E272 HydrophobicContact CG2-CB 3.95Å; I240-E272 HydrophobicContact CG2-CG 4.44Å; I240-V273 WeakPolarHBondContact CA-O 3.43Å; I240-V274 HydrophobicContact CG1-CG2 4.26Å; I240-M342 HydrophobicContact CD1-CE 4.27Å; I240-M342 HydrophobicContact CG2-CE 4.07Å
241V92.1Very high93.5Very high5 Ų543.3 Ų43.33%0.0320%0.203CC..EExtended strand (participates in β ladder)trans-114.9149.2-177.6-610000111.5I253 Y254 V273 W316V241-I253 HydrophobicContact CB-CG2 4.32Å; V241-I253 HydrophobicContact CG2-CD1 4.45Å; V241-I253 HydrophobicContact CG2-CG2 3.61Å; V241-Y254 HydrophobicContact CB-CE2 3.91Å; V241-Y254 WeakPolarHBondContact CB-OH 3.18Å; V241-Y254 HydrophobicContact CG1-CE2 3.89Å; V241-Y254 WeakPolarHBondContact CG1-OH 3.45Å; V241-V273 HydrophobicContact CG2-CB 3.74Å; V241-V273 HydrophobicContact CG2-CG1 4.27Å; V241-V273 PolarHBondContact N-O 3.25Å; V241-V273 PolarHBondContact O-N 3.17Å; V241-W316 HydrophobicContact CG1-CH2 3.81Å; V241-W316 HydrophobicContact CG1-CZ2 4.03Å; V241-W316 HydrophobicContact CG1-CZ3 4.32Å; V241-W316 HydrophobicContact CG2-CH2 4.4Å
242E93.1Very high93.5Very high104 Ų10445.2 Ų45.249%0.48621%0.213SC..EExtended strand (participates in β ladder)trans-75133.5176-62.7-161.9154.400110.8K270E242-K270 IonicContact OE1-NZ 2.74Å; E242-K270 PolarHBondContact OE1-NZ 2.74Å; E242-K270 IonicContact OE2-NZ 3.18Å; E242-K270 PolarHBondContact OE2-NZ 3.31Å
243G93.9Very high93.4Very high6 Ų645.2 Ų45.26%0.06221%0.213CC..EExtended strand (participates in β ladder)trans-134.1174.7177.500000113.9N252 V271G243-N252 CarbonylContact C-O 3.3Å; G243-N252 WeakPolarHBondContact CA-O 3.33Å; G243-V271 PolarHBondContact N-O 3.02Å; G243-V271 PolarHBondContact O-N 2.99Å; G243-V271 VanDerWaalsContact O-O 3.12Å
244R96.3Very high93Very high130 Ų13043.5 Ų43.549%0.49120%0.201SC..EExtended strand (participates in β ladder)trans-135.4131.7166.8-72.9-178.2-175.6-91.5-1109.9V246 N252 N268 K269R244-V246 PolarHBondContact O-N 3.21Å; R244-N252 PolarHBondContact N-O 3.29Å; R244-N252 PolarHBondContact O-N 2.81Å; R244-N268 PolarHBondContact NH1-O 2.89Å; R244-K269 VanDerWaalsContact CA-O 3.31Å; R244-K269 WeakPolarHBondContact CA-O 3.31Å
245M96.6Very high92.6Very high0 Ų044.9 Ų44.90%023%0.225CC..EExtended strand (participates in β ladder)trans-67.2124.5172.3-70.6-57-70.900109.8R247 V251 I265 N268 K269 V271 I341M245-R247 WeakPolarHBondContact CE-O 3.39Å; M245-V251 HydrophobicContact SD-CB 3.89Å; M245-V251 HydrophobicContact SD-CG2 4.01Å; M245-I265 HydrophobicContact CB-CB 4.49Å; M245-I265 HydrophobicContact CB-CG2 4.14Å; M245-I265 HydrophobicContact CE-CB 4.47Å; M245-I265 HydrophobicContact CE-CD1 4.45Å; M245-I265 HydrophobicContact CG-CB 3.86Å; M245-I265 HydrophobicContact CG-CD1 4.18Å; M245-I265 HydrophobicContact CG-CG2 3.57Å; M245-I265 HydrophobicContact SD-CD1 4.41Å; M245-N268 WeakPolarHBondContact O-CA 3.14Å; M245-N268 PolarHBondContact O-N 3.26Å; M245-K269 PolarHBondContact N-O 2.91Å; M245-V271 HydrophobicContact CG-CG1 3.7Å; M245-V271 HydrophobicContact CG-CG2 4.12Å; M245-V271 HydrophobicContact SD-CG2 4.39Å; M245-I341 HydrophobicContact CG-CG2 4.42Å; M245-I341 HydrophobicContact SD-CD1 4.25Å; M245-I341 HydrophobicContact SD-CG1 4.05Å; M245-I341 HydrophobicContact SD-CG2 3.99Å
246V96.2Very high92.5Very high49 Ų4948.4 Ų48.430%0.29724%0.241SC..EExtended strand (participates in β ladder)trans-85.9-48.4177.4179.60000109.2R244 V250 N252 E267R244-V246 PolarHBondContact O-N 3.21Å; V246-V250 HydrophobicContact CB-CB 4.32Å; V246-V250 HydrophobicContact CB-CG1 4.04Å; V246-V250 WeakPolarHBondContact CB-O 3.33Å; V246-V250 HydrophobicContact CG2-CG1 4.27Å; V246-V250 PolarHBondContact N-O 3.28Å; V246-N252 HydrophobicContact CG2-CB 3.73Å; V246-E267 WeakPolarHBondContact O-CG 3.17Å
247R94.6Very high92.8Very high155 Ų15552.5 Ų52.559%0.58526%0.261SS*.EExtended strand (participates in β ladder)trans-161.4173.1174.156.7178-177-172.61.9107.5M245 Y249 V250M245-R247 WeakPolarHBondContact CE-O 3.39Å; R247-Y249 PolarHBondContact O-N 2.86Å; R247-V250 HydrophobicContact CG-CB 3.9Å; R247-V250 HydrophobicContact CG-CG2 3.97Å; R247-V250 PolarHBondContact N-O 2.91Å; R247-V250 PolarHBondContact O-N 3.5Å
248D93.4Very high93.2Very high69 Ų6948.8 Ų48.837%0.36924%0.244SC..THydrogen-bonded Turntrans-49.4137.8170.8-65.6-30.4000110.5V250 M263 G264D248-V250 PolarHBondContact O-N 2.74Å; D248-M263 HydrophobicContact CB-CB 3.83Å; D248-M263 WeakPolarHBondContact OD1-CA 2.95Å; D248-G264 PolarHBondContact OD1-N 2.95Å
249Y94.3Very high93.3Very high103 Ų10354.6 Ų54.640%0.40427%0.268SS..THydrogen-bonded Turntrans65.28.9-178.2-45.1-74.9000115.9R247 E259 C260 V261 D262 M263R247-Y249 PolarHBondContact O-N 2.86Å; Y249-E259 CarbonylContact O-C 3.54Å; Y249-E259 VanDerWaalsContact O-CA 3.31Å; Y249-E259 WeakPolarHBondContact O-CA 3.25Å; Y249-C260 VanDerWaalsContact C-SG 3.59Å; Y249-C260 VanDerWaalsContact CA-O 3.28Å; Y249-C260 WeakPolarHBondContact CA-O 3.39Å; Y249-C260 WeakPolarHBondContact CB-O 3.49Å; Y249-C260 PolarHBondContact O-N 2.89Å; Y249-V261 WeakPolarHBondContact CE1-O 3.47Å; Y249-D262 PolarHBondContact N-O 3.49Å; Y249-M263 HydrophobicContact CE1-CB 4.13Å; Y249-M263 HydrophobicContact CE1-CG 4.46Å; Y249-M263 HydrophobicContact CE2-CB 4.18Å; Y249-M263 PolarHBondContact OH-SD 3Å
250V96.4Very high93.2Very high14 Ų1454.4 Ų54.49%0.08527%0.268CS..EExtended strand (participates in β ladder)trans-138.2117.3176.7-174.40000111.9V246 R247 D248 D257 F258V246-V250 HydrophobicContact CB-CB 4.32Å; V246-V250 HydrophobicContact CB-CG1 4.04Å; V246-V250 WeakPolarHBondContact CB-O 3.33Å; V246-V250 HydrophobicContact CG2-CG1 4.27Å; V246-V250 PolarHBondContact N-O 3.28Å; R247-V250 HydrophobicContact CG-CB 3.9Å; R247-V250 HydrophobicContact CG-CG2 3.97Å; R247-V250 PolarHBondContact N-O 2.91Å; R247-V250 PolarHBondContact O-N 3.5Å; D248-V250 PolarHBondContact O-N 2.74Å; V250-D257 HydrophobicContact CG1-CB 3.89Å; V250-F258 WeakPolarHBondContact CA-O 3.26Å
251V96.6Very high93.1Very high0 Ų055.8 Ų55.80%028%0.277CS..EExtended strand (participates in β ladder)trans-111.1139.1174.567.20000111.2M245 I253 D257 F258 C260 V271 V273 I339 I341M245-V251 HydrophobicContact SD-CB 3.89Å; M245-V251 HydrophobicContact SD-CG2 4.01Å; V251-I253 HydrophobicContact CG1-CD1 4.14Å; V251-I253 HydrophobicContact CG1-CG1 4.1Å; V251-I253 HydrophobicContact CG2-CG1 4.42Å; V251-D257 WeakPolarHBondContact O-CA 3.09Å; V251-F258 HydrophobicContact CG1-CB 4.33Å; V251-F258 PolarHBondContact N-O 2.93Å; V251-F258 PolarHBondContact O-N 2.94Å; V251-C260 HydrophobicContact CG1-CB 4.4Å; V251-V271 HydrophobicContact CG2-CG2 3.94Å; V251-V273 HydrophobicContact CG1-CG2 4.39Å; V251-V273 HydrophobicContact CG2-CG2 3.75Å; V251-I339 HydrophobicContact CG1-CG2 3.87Å; V251-I341 HydrophobicContact CB-CD1 3.88Å; V251-I341 HydrophobicContact CG1-CD1 3.95Å; V251-I341 HydrophobicContact CG2-CD1 3.84Å
252N95.3Very high92.9Very high39 Ų3955.5 Ų55.521%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-91119.1169.7-173.2-91.1000109.9G243 R244 V246 G255 Q256 D257G243-N252 CarbonylContact C-O 3.3Å; G243-N252 WeakPolarHBondContact CA-O 3.33Å; R244-N252 PolarHBondContact N-O 3.29Å; R244-N252 PolarHBondContact O-N 2.81Å; V246-N252 HydrophobicContact CG2-CB 3.73Å; N252-G255 VanDerWaalsContact ND2-C 3.33Å; N252-G255 VanDerWaalsContact OD1-CA 3.25Å; N252-G255 WeakPolarHBondContact OD1-CA 3.25Å; N252-G255 PolarHBondContact OD1-N 3.42Å; N252-Q256 CarbonylContact C-O 3.52Å; N252-Q256 VanDerWaalsContact CA-O 3.32Å; N252-Q256 WeakPolarHBondContact CA-O 3.42Å; N252-Q256 PolarHBondContact ND2-N 3.01Å; N252-Q256 PolarHBondContact ND2-O 3.11Å; N252-D257 PolarHBondContact ND2-OD1 3Å
253I91.3Very high92.8Very high0 Ų051.9 Ų51.90%026%0.259CS..EExtended strand (participates in β ladder)trans-114.2117.1173.6-53.5169000107.6V241 V251 G255 Q256 F258 V273 F290V241-I253 HydrophobicContact CB-CG2 4.32Å; V241-I253 HydrophobicContact CG2-CD1 4.45Å; V241-I253 HydrophobicContact CG2-CG2 3.61Å; V251-I253 HydrophobicContact CG1-CD1 4.14Å; V251-I253 HydrophobicContact CG1-CG1 4.1Å; V251-I253 HydrophobicContact CG2-CG1 4.42Å; I253-G255 PolarHBondContact O-N 3.45Å; I253-Q256 PolarHBondContact N-O 3.11Å; I253-Q256 PolarHBondContact O-N 2.93Å; I253-F258 HydrophobicContact CB-CD2 3.8Å; I253-F258 HydrophobicContact CB-CE2 3.72Å; I253-F258 HydrophobicContact CD1-CD2 3.78Å; I253-F258 HydrophobicContact CD1-CE2 4.28Å; I253-F258 HydrophobicContact CD1-CG 4.36Å; I253-F258 HydrophobicContact CG1-CD2 3.88Å; I253-F258 HydrophobicContact CG1-CE2 4.31Å; I253-V273 HydrophobicContact CD1-CB 4.24Å; I253-V273 HydrophobicContact CD1-CG1 3.82Å; I253-V273 HydrophobicContact CD1-CG2 4.08Å; I253-V273 HydrophobicContact CG1-CB 4.5Å; I253-V273 HydrophobicContact CG1-CG2 3.93Å; I253-F290 HydrophobicContact CG2-CZ 4.25Å
254Y84.5Confident92.6Very high45 Ų4553.8 Ų53.818%0.17628%0.278CS..THydrogen-bonded Turntrans50.832.7-179.9-54.8-45.6000115.3V241 K312 Y314V241-Y254 HydrophobicContact CB-CE2 3.91Å; V241-Y254 WeakPolarHBondContact CB-OH 3.18Å; V241-Y254 HydrophobicContact CG1-CE2 3.89Å; V241-Y254 WeakPolarHBondContact CG1-OH 3.45Å; Y254-K312 HydrophobicContact CG-CD 4.39Å; Y254-K312 PolarHBondContact O-NZ 2.9Å; Y254-Y314 HydrophobicContact CD1-CD2 4.21Å; Y254-Y314 HydrophobicContact CD1-CE1 4.3Å; Y254-Y314 AromaticContact CD1-CE2 3.36Å; Y254-Y314 HydrophobicContact CD1-CE2 3.36Å; Y254-Y314 AromaticContact CD1-CZ 3.41Å; Y254-Y314 VanDerWaalsContact CD1-CZ 3.41Å; Y254-Y314 VanDerWaalsContact CD1-OH 3.3Å; Y254-Y314 WeakPolarHBondContact CD1-OH 3.38Å; Y254-Y314 AromaticContact CD2-CD2 3.48Å; Y254-Y314 HydrophobicContact CD2-CD2 3.48Å; Y254-Y314 VanDerWaalsContact CD2-CD2 3.48Å; Y254-Y314 AromaticContact CD2-CE2 3.44Å; Y254-Y314 HydrophobicContact CD2-CE2 3.44Å; Y254-Y314 VanDerWaalsContact CD2-CE2 3.44Å; Y254-Y314 HydrophobicContact CD2-CG 4.27Å; Y254-Y314 HydrophobicContact CE1-CD1 4.1Å; Y254-Y314 AromaticContact CE1-CD2 3.99Å; Y254-Y314 HydrophobicContact CE1-CD2 3.99Å; Y254-Y314 AromaticContact CE1-CE1 3.47Å; Y254-Y314 HydrophobicContact CE1-CE1 3.47Å; Y254-Y314 VanDerWaalsContact CE1-CE1 3.47Å; Y254-Y314 AromaticContact CE1-CE2 3.32Å; Y254-Y314 HydrophobicContact CE1-CE2 3.32Å; Y254-Y314 HydrophobicContact CE1-CG 4.33Å; Y254-Y314 AromaticContact CE1-CZ 3.02Å; Y254-Y314 WeakPolarHBondContact CE1-OH 3.42Å; Y254-Y314 AromaticContact CE2-CD1 3.99Å; Y254-Y314 HydrophobicContact CE2-CD1 3.99Å; Y254-Y314 AromaticContact CE2-CD2 3.17Å; Y254-Y314 HydrophobicContact CE2-CD2 3.17Å; Y254-Y314 HydrophobicContact CE2-CE1 4.17Å; Y254-Y314 AromaticContact CE2-CE2 3.38Å; Y254-Y314 HydrophobicContact CE2-CE2 3.38Å; Y254-Y314 AromaticContact CE2-CG 3.5Å; Y254-Y314 HydrophobicContact CE2-CG 3.5Å; Y254-Y314 AromaticContact CE2-CZ 3.89Å; Y254-Y314 AromaticContact CG-CD2 3.99Å; Y254-Y314 HydrophobicContact CG-CD2 3.99Å; Y254-Y314 AromaticContact CG-CE2 3.43Å; Y254-Y314 HydrophobicContact CG-CE2 3.43Å; Y254-Y314 VanDerWaalsContact CG-CE2 3.43Å; Y254-Y314 AromaticContact CZ-CD1 3.49Å; Y254-Y314 VanDerWaalsContact CZ-CD1 3.49Å; Y254-Y314 AromaticContact CZ-CD2 3.44Å; Y254-Y314 VanDerWaalsContact CZ-CD2 3.44Å; Y254-Y314 AromaticContact CZ-CE1 3.36Å; Y254-Y314 AromaticContact CZ-CE2 3.31Å; Y254-Y314 AromaticContact CZ-CG 3.52Å; Y254-Y314 AromaticContact CZ-CZ 3.27Å; Y254-Y314 WeakPolarHBondContact OH-CD1 2.93Å; Y254-Y314 WeakPolarHBondContact OH-CE1 3.34Å
255G85Confident92.4Very high64 Ų6447.9 Ų47.966%0.6626%0.257SS*.THydrogen-bonded Turntrans88.711.4178.600000115N252 I253N252-G255 VanDerWaalsContact ND2-C 3.33Å; N252-G255 VanDerWaalsContact OD1-CA 3.25Å; N252-G255 WeakPolarHBondContact OD1-CA 3.25Å; N252-G255 PolarHBondContact OD1-N 3.42Å; I253-G255 PolarHBondContact O-N 3.45Å
256Q89Confident92.2Very high75 Ų7552.2 Ų52.235%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-120.8136.9169.3178.8173.6-13.400109.6N252 I253 F258N252-Q256 CarbonylContact C-O 3.52Å; N252-Q256 VanDerWaalsContact CA-O 3.32Å; N252-Q256 WeakPolarHBondContact CA-O 3.42Å; N252-Q256 PolarHBondContact ND2-N 3.01Å; N252-Q256 PolarHBondContact ND2-O 3.11Å; I253-Q256 PolarHBondContact N-O 3.11Å; I253-Q256 PolarHBondContact O-N 2.93Å; Q256-F258 HydrophobicContact CB-CE2 3.66Å; Q256-F258 HydrophobicContact CB-CZ 3.85Å; Q256-F258 HydrophobicContact CG-CD2 4.42Å; Q256-F258 HydrophobicContact CG-CE1 4.06Å; Q256-F258 HydrophobicContact CG-CE2 3.66Å; Q256-F258 HydrophobicContact CG-CZ 3.46Å; Q256-F258 VanDerWaalsContact CG-CZ 3.46Å; Q256-F258 VanDerWaalsContact O-CD2 3.25Å; Q256-F258 WeakPolarHBondContact O-CD2 3.23Å; Q256-F258 VanDerWaalsContact O-CE2 3.3Å; Q256-F258 WeakPolarHBondContact O-CE2 3.33Å
257D93.5Very high92.1Very high95 Ų9556.4 Ų56.451%0.50830%0.301SS..EExtended strand (participates in β ladder)trans-86.2133.5178.3-64.2-9.2000109.6V250 V251 N252V250-D257 HydrophobicContact CG1-CB 3.89Å; V251-D257 WeakPolarHBondContact O-CA 3.09Å; N252-D257 PolarHBondContact ND2-OD1 3Å
258F94Very high92Very high11 Ų1154.4 Ų54.45%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-125.1138.8178.1-62.9-82.4000109.2V250 V251 I253 Q256 L289 F290 I339V250-F258 WeakPolarHBondContact CA-O 3.26Å; V251-F258 HydrophobicContact CG1-CB 4.33Å; V251-F258 PolarHBondContact N-O 2.93Å; V251-F258 PolarHBondContact O-N 2.94Å; I253-F258 HydrophobicContact CB-CD2 3.8Å; I253-F258 HydrophobicContact CB-CE2 3.72Å; I253-F258 HydrophobicContact CD1-CD2 3.78Å; I253-F258 HydrophobicContact CD1-CE2 4.28Å; I253-F258 HydrophobicContact CD1-CG 4.36Å; I253-F258 HydrophobicContact CG1-CD2 3.88Å; I253-F258 HydrophobicContact CG1-CE2 4.31Å; Q256-F258 HydrophobicContact CB-CE2 3.66Å; Q256-F258 HydrophobicContact CB-CZ 3.85Å; Q256-F258 HydrophobicContact CG-CD2 4.42Å; Q256-F258 HydrophobicContact CG-CE1 4.06Å; Q256-F258 HydrophobicContact CG-CE2 3.66Å; Q256-F258 HydrophobicContact CG-CZ 3.46Å; Q256-F258 VanDerWaalsContact CG-CZ 3.46Å; Q256-F258 VanDerWaalsContact O-CD2 3.25Å; Q256-F258 WeakPolarHBondContact O-CD2 3.23Å; Q256-F258 VanDerWaalsContact O-CE2 3.3Å; Q256-F258 WeakPolarHBondContact O-CE2 3.33Å; F258-L289 HydrophobicContact CD1-CD1 4.09Å; F258-L289 HydrophobicContact CD1-CD2 4.33Å; F258-L289 HydrophobicContact CE1-CB 3.87Å; F258-L289 HydrophobicContact CE1-CD1 3.96Å; F258-L289 HydrophobicContact CE1-CD2 3.98Å; F258-L289 HydrophobicContact CE1-CG 4.13Å; F258-F290 HydrophobicContact CE1-CE2 4.11Å; F258-F290 HydrophobicContact CE1-CZ 4.22Å; F258-F290 HydrophobicContact CE2-CE1 4.45Å; F258-F290 HydrophobicContact CE2-CE2 4.26Å; F258-F290 AromaticContact CE2-CZ 3.63Å; F258-F290 HydrophobicContact CE2-CZ 3.63Å; F258-F290 HydrophobicContact CZ-CE1 4.06Å; F258-F290 AromaticContact CZ-CE2 3.6Å; F258-F290 HydrophobicContact CZ-CE2 3.6Å; F258-F290 AromaticContact CZ-CZ 3.28Å; F258-F290 HydrophobicContact CZ-CZ 3.28Å; F258-I339 HydrophobicContact CB-CD1 3.84Å
259E94.2Very high92Very high144 Ų14455.6 Ų55.667%0.67330%0.304SS*.EExtended strand (participates in β ladder)trans-70.2136.2168.6-65.5-179.3171.400108.7Y249 P336 I339Y249-E259 CarbonylContact O-C 3.54Å; Y249-E259 VanDerWaalsContact O-CA 3.31Å; Y249-E259 WeakPolarHBondContact O-CA 3.25Å; E259-P336 HydrophobicContact CB-CB 4.27Å; E259-P336 HydrophobicContact CB-CG 4.1Å; E259-P336 WeakPolarHBondContact O-CA 3.45Å; E259-P336 VanDerWaalsContact O-CB 3.31Å; E259-P336 WeakPolarHBondContact O-CB 3.48Å; E259-I339 WeakPolarHBondContact O-CD1 3.34Å
260C93.2Very high92.1Very high6 Ų655 Ų554%0.04130%0.304CS..  trans-136.6176.4173.866.50000109.6Y249 V251 I339Y249-C260 VanDerWaalsContact C-SG 3.59Å; Y249-C260 VanDerWaalsContact CA-O 3.28Å; Y249-C260 WeakPolarHBondContact CA-O 3.39Å; Y249-C260 WeakPolarHBondContact CB-O 3.49Å; Y249-C260 PolarHBondContact O-N 2.89Å; V251-C260 HydrophobicContact CG1-CB 4.4Å; C260-I339 HydrophobicContact CB-CB 3.89Å; C260-I339 HydrophobicContact CB-CG2 3.82Å
261V90.7Very high92.1Very high57 Ų5754.4 Ų54.435%0.34530%0.3SS..SBendtrans-99.4-10.1-179.1-66.20000114Y249 E337Y249-V261 WeakPolarHBondContact CE1-O 3.47Å; V261-E337 HydrophobicContact CG1-CG 4.04Å
262D89.7Confident92Very high0 Ų055.9 Ų55.90%031%0.306CS..  trans-73.5136.7177.9-70.7-97.9000114.5Y249 I265 I341 R354 Y358Y249-D262 PolarHBondContact N-O 3.49Å; D262-I265 HydrophobicContact CB-CD1 4.47Å; D262-I341 HydrophobicContact CB-CB 3.93Å; D262-I341 HydrophobicContact CB-CG1 3.7Å; D262-I341 VanDerWaalsContact OD2-CG1 3.27Å; D262-I341 WeakPolarHBondContact OD2-CG1 3.39Å; D262-I341 PolarHBondContact OD2-N 3.12Å; D262-I341 VanDerWaalsContact OD2-N 3.11Å; D262-R354 IonicContact OD1-NH1 3.24Å; D262-R354 PolarHBondContact OD1-NH1 3.04Å; D262-Y358 WeakPolarHBondContact CA-OH 3.15Å; D262-Y358 PolarHBondContact OD1-OH 2.97Å
263M90.3Very high91.9Very high27 Ų2754 Ų5413%0.13330%0.297CS..  trans-130.4174.1170.666.1168.4-78.800112.8D248 Y249 I265 Y358 V361D248-M263 HydrophobicContact CB-CB 3.83Å; D248-M263 WeakPolarHBondContact OD1-CA 2.95Å; Y249-M263 HydrophobicContact CE1-CB 4.13Å; Y249-M263 HydrophobicContact CE1-CG 4.46Å; Y249-M263 HydrophobicContact CE2-CB 4.18Å; Y249-M263 PolarHBondContact OH-SD 3Å; M263-I265 VanDerWaalsContact C-N 3.34Å; M263-I265 PolarHBondContact O-N 2.84Å; M263-Y358 HydrophobicContact CB-CE1 4.22Å; M263-Y358 HydrophobicContact CG-CD1 3.4Å; M263-Y358 HydrophobicContact CG-CE1 3.21Å; M263-Y358 HydrophobicContact CG-CG 4.28Å; M263-Y358 VanDerWaalsContact N-CZ 3.34Å; M263-Y358 PolarHBondContact N-OH 3.47Å; M263-Y358 WeakPolarHBondContact O-CE1 3.32Å; M263-Y358 PolarHBondContact O-OH 3.37Å; M263-Y358 HydrophobicContact SD-CD1 4.13Å; M263-Y358 HydrophobicContact SD-CE1 4.48Å; M263-V361 HydrophobicContact CE-CG2 4.01Å; M263-V361 HydrophobicContact SD-CG2 4.1Å
264G89.4Confident92.1Very high46 Ų4654 Ų5447%0.47430%0.297SS..SBendtrans83.58.2174.800000114.3D248D248-G264 PolarHBondContact OD1-N 2.95Å
265I91.5Very high92.6Very high7 Ų751.9 Ų51.94%0.03629%0.288CS..PPolyproline II helixtrans-102.2128.1179.2-54.6172000109.1M245 D262 M263 E267 K269 V271 I341 V343M245-I265 HydrophobicContact CB-CB 4.49Å; M245-I265 HydrophobicContact CB-CG2 4.14Å; M245-I265 HydrophobicContact CE-CB 4.47Å; M245-I265 HydrophobicContact CE-CD1 4.45Å; M245-I265 HydrophobicContact CG-CB 3.86Å; M245-I265 HydrophobicContact CG-CD1 4.18Å; M245-I265 HydrophobicContact CG-CG2 3.57Å; M245-I265 HydrophobicContact SD-CD1 4.41Å; D262-I265 HydrophobicContact CB-CD1 4.47Å; M263-I265 VanDerWaalsContact C-N 3.34Å; M263-I265 PolarHBondContact O-N 2.84Å; I265-E267 PolarHBondContact O-N 3.35Å; I265-K269 HydrophobicContact CG2-CB 3.98Å; I265-K269 HydrophobicContact CG2-CG 4.01Å; I265-V271 HydrophobicContact CG2-CG1 4.1Å; I265-I341 HydrophobicContact CD1-CB 3.96Å; I265-I341 HydrophobicContact CD1-CG2 3.4Å; I265-V343 HydrophobicContact CD1-CG2 3.73Å; I265-V343 HydrophobicContact CG1-CG2 3.98Å; I265-V343 HydrophobicContact CG2-CG2 4.02Å
266P92.1Very high93.1Very high90 Ų9048.8 Ų48.858%0.58426%0.257SS*.PPolyproline II helixtrans-56.6139.9-178-26.734.2000113.8K269P266-K269 WeakPolarHBondContact O-CB 3.05Å; P266-K269 PolarHBondContact O-N 3.44Å; P266-K269 VanDerWaalsContact O-N 3.12Å
267E94Very high93.4Very high138 Ų13845.2 Ų45.265%0.64524%0.24SC*.THydrogen-bonded Turntrans-53.5142.7174.2-60.5-172.8175.700111.6V246 I265 K269V246-E267 WeakPolarHBondContact O-CG 3.17Å; I265-E267 PolarHBondContact O-N 3.35Å; E267-K269 PolarHBondContact O-N 3.08Å
268N93.2Very high93.4Very high113 Ų11344.4 Ų44.460%0.60423%0.233SC*.THydrogen-bonded Turntrans634.6-175.5-64.2-68.5000116.5R244 M245 K270R244-N268 PolarHBondContact NH1-O 2.89Å; M245-N268 WeakPolarHBondContact O-CA 3.14Å; M245-N268 PolarHBondContact O-N 3.26Å; N268-K270 PolarHBondContact O-N 3.5Å
269K94.7Very high93.5Very high93 Ų9347 Ų4740%0.40425%0.247SC..  trans-60.6133.2172.2-175.472.9174.9-1680109.5R244 M245 I265 P266 E267 V271 V343R244-K269 VanDerWaalsContact CA-O 3.31Å; R244-K269 WeakPolarHBondContact CA-O 3.31Å; M245-K269 PolarHBondContact N-O 2.91Å; I265-K269 HydrophobicContact CG2-CB 3.98Å; I265-K269 HydrophobicContact CG2-CG 4.01Å; P266-K269 WeakPolarHBondContact O-CB 3.05Å; P266-K269 PolarHBondContact O-N 3.44Å; P266-K269 VanDerWaalsContact O-N 3.12Å; E267-K269 PolarHBondContact O-N 3.08Å; K269-V271 HydrophobicContact CG-CG1 4.39Å; K269-V343 HydrophobicContact CG-CG1 4.42Å
270K95.3Very high93.5Very high92 Ų9240.2 Ų40.240%0.422%0.216SC..EExtended strand (participates in β ladder)trans-71.4128.9170.6-174179.2179.9179.90108.2E242 N268E242-K270 IonicContact OE1-NZ 2.74Å; E242-K270 PolarHBondContact OE1-NZ 2.74Å; E242-K270 IonicContact OE2-NZ 3.18Å; E242-K270 PolarHBondContact OE2-NZ 3.31Å; N268-K270 PolarHBondContact O-N 3.5Å
271V95.8Very high93.6Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-129.5165.4-179.8-65.20000110.2G243 M245 V251 I265 K269 I341 M342 V343G243-V271 PolarHBondContact N-O 3.02Å; G243-V271 PolarHBondContact O-N 2.99Å; G243-V271 VanDerWaalsContact O-O 3.12Å; M245-V271 HydrophobicContact CG-CG1 3.7Å; M245-V271 HydrophobicContact CG-CG2 4.12Å; M245-V271 HydrophobicContact SD-CG2 4.39Å; V251-V271 HydrophobicContact CG2-CG2 3.94Å; I265-V271 HydrophobicContact CG2-CG1 4.1Å; K269-V271 HydrophobicContact CG-CG1 4.39Å; V271-I341 HydrophobicContact CB-CG2 3.62Å; V271-I341 HydrophobicContact CG1-CG2 3.68Å; V271-I341 HydrophobicContact CG2-CG2 3.89Å; V271-M342 WeakPolarHBondContact CA-O 3.3Å; V271-M342 WeakPolarHBondContact CB-O 3.4Å; V271-V343 HydrophobicContact CG1-CG2 4.24Å
272E95Very high93.8Very high31 Ų3141.4 Ų41.415%0.14522%0.224CC..EExtended strand (participates in β ladder)trans-109.1131.8165.6-67.2-174132.800107.9R229 I240 M342 P344R229-E272 IonicContact CZ-OE1 2.74Å; R229-E272 VanDerWaalsContact CZ-OE1 3.24Å; R229-E272 IonicContact NE-OE1 3.53Å; R229-E272 PolarHBondContact NE-OE1 2.66Å; R229-E272 IonicContact NE-OE2 3.75Å; R229-E272 IonicContact NH2-OE1 2.9Å; R229-E272 PolarHBondContact NH2-OE1 2.98Å; I240-E272 HydrophobicContact CG2-CB 3.95Å; I240-E272 HydrophobicContact CG2-CG 4.44Å; E272-M342 HydrophobicContact CB-CB 4.29Å; E272-M342 HydrophobicContact CB-CE 3.83Å; E272-M342 PolarHBondContact N-O 3.5Å; E272-M342 PolarHBondContact O-N 3.44Å; E272-P344 HydrophobicContact CG-CG 3.99Å
273V94.1Very high94Very high0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-101.2126.6178179.20000108.3I240 V241 V251 I253 I275 I339 H340 I341I240-V273 WeakPolarHBondContact CA-O 3.43Å; V241-V273 HydrophobicContact CG2-CB 3.74Å; V241-V273 HydrophobicContact CG2-CG1 4.27Å; V241-V273 PolarHBondContact N-O 3.25Å; V241-V273 PolarHBondContact O-N 3.17Å; V251-V273 HydrophobicContact CG1-CG2 4.39Å; V251-V273 HydrophobicContact CG2-CG2 3.75Å; I253-V273 HydrophobicContact CD1-CB 4.24Å; I253-V273 HydrophobicContact CD1-CG1 3.82Å; I253-V273 HydrophobicContact CD1-CG2 4.08Å; I253-V273 HydrophobicContact CG1-CB 4.5Å; I253-V273 HydrophobicContact CG1-CG2 3.93Å; V273-I275 HydrophobicContact CG1-CD1 4.31Å; V273-I275 HydrophobicContact CG1-CG1 4.06Å; V273-I339 HydrophobicContact CG1-CG2 3.47Å; V273-I339 VanDerWaalsContact CG1-CG2 3.47Å; V273-H340 WeakPolarHBondContact CA-O 3.32Å; V273-I341 HydrophobicContact CB-CD1 4.43Å; V273-I341 HydrophobicContact CG1-CD1 4.38Å; V273-I341 HydrophobicContact CG2-CD1 3.7Å
274V94.7Very high94.2Very high0 Ų049.2 Ų49.20%026%0.26CS..EExtended strand (participates in β ladder)trans-105.1130176.7-176.40000108.7P226 A232 N239 I240 H340 M342P226-V274 HydrophobicContact CG-CG2 4.47Å; A232-V274 HydrophobicContact CB-CG1 4.3Å; A232-V274 HydrophobicContact CB-CG2 4.09Å; N239-V274 WeakPolarHBondContact O-CA 3.21Å; I240-V274 HydrophobicContact CG1-CG2 4.26Å; V274-H340 HydrophobicContact CB-CB 4.35Å; V274-H340 PolarHBondContact N-O 3.25Å; V274-H340 PolarHBondContact O-N 3.35Å; V274-H340 VanDerWaalsContact O-N 3.08Å; V274-M342 HydrophobicContact CG2-CE 3.24Å; V274-M342 HydrophobicContact CG2-CG 3.79Å; V274-M342 HydrophobicContact CG2-SD 3.54Å; V274-M342 VanDerWaalsContact CG2-SD 3.54Å
275I94.7Very high94.3Very high0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-133.3121.7172.7-52-179.5000107.8N239 V273 I280 W316 F334N239-I275 WeakPolarHBondContact CB-O 3.42Å; N239-I275 PolarHBondContact N-O 3.41Å; N239-I275 PolarHBondContact ND2-O 3.31Å; N239-I275 PolarHBondContact O-N 2.95Å; V273-I275 HydrophobicContact CG1-CD1 4.31Å; V273-I275 HydrophobicContact CG1-CG1 4.06Å; I275-I280 HydrophobicContact CG2-CD1 3.97Å; I275-I280 HydrophobicContact CG2-CG1 3.63Å; I275-W316 HydrophobicContact CD1-CH2 4.36Å; I275-W316 HydrophobicContact CD1-CZ3 4.11Å; I275-F334 HydrophobicContact CD1-CD1 3.97Å; I275-F334 HydrophobicContact CD1-CD2 3.88Å; I275-F334 HydrophobicContact CD1-CE1 3.56Å; I275-F334 HydrophobicContact CD1-CE2 3.46Å; I275-F334 VanDerWaalsContact CD1-CE2 3.46Å; I275-F334 HydrophobicContact CD1-CG 4.11Å; I275-F334 HydrophobicContact CD1-CZ 3.25Å; I275-F334 HydrophobicContact CG2-CB 4.35Å; I275-F334 HydrophobicContact CG2-CD1 4.28Å; I275-F334 HydrophobicContact CG2-CG 4.22Å
276R95Very high94.3Very high0 Ų056.1 Ų56.10%028%0.283CS..  trans-70.5138.8-179.8-58.4-67.9-178.3-178-3.1110.2Y223 A232 G236 E237 S238 E278 D279Y223-R276 HydrophobicContact CE1-CG 3.83Å; Y223-R276 PolarHBondContact O-NE 2.94Å; Y223-R276 PolarHBondContact O-NH2 2.94Å; A232-R276 PolarHBondContact O-NH1 2.93Å; G236-R276 PolarHBondContact O-NH1 3.34Å; E237-R276 WeakPolarHBondContact O-CD 3.21Å; E237-R276 PolarHBondContact O-NH1 2.84Å; S238-R276 PolarHBondContact OG-NH1 3.1Å; R276-E278 HydrophobicContact CB-CG 4.28Å; R276-E278 PolarHBondContact O-N 2.83Å; R276-E278 VanDerWaalsContact O-N 3.14Å; R276-D279 WeakPolarHBondContact CB-OD2 3.25Å; R276-D279 PolarHBondContact O-N 3.32Å
277P95.4Very high94.3Very high0 Ų057.1 Ų57.10%028%0.28CS..G310 helixtrans-53.5-32.8-178.5-3137.8000115.1E237 D279 I280 V317 I318 Q319E237-P277 HydrophobicContact CB-CG 3.89Å; E237-P277 WeakPolarHBondContact O-CD 3.22Å; P277-D279 VanDerWaalsContact C-N 3.35Å; P277-I280 PolarHBondContact O-N 3.23Å; P277-V317 WeakPolarHBondContact CA-O 3.46Å; P277-V317 HydrophobicContact CB-CG1 4.25Å; P277-V317 WeakPolarHBondContact CB-O 3.33Å; P277-V317 HydrophobicContact CG-CB 4.36Å; P277-V317 HydrophobicContact CG-CG1 4.21Å; P277-I318 WeakPolarHBondContact O-CA 3.27Å; P277-Q319 HydrophobicContact CB-CB 4.07Å; P277-Q319 HydrophobicContact CB-CG 3.72Å; P277-Q319 PolarHBondContact O-N 2.83Å
278E94.8Very high93.9Very high77 Ų7751.6 Ų51.636%0.3626%0.259SS..G310 helixtrans-74.8-20.7179.761.2-91.3-145.400114.1Y223 R276 I280 Q319Y223-E278 PolarHBondContact OH-OE1 2.94Å; R276-E278 HydrophobicContact CB-CG 4.28Å; R276-E278 PolarHBondContact O-N 2.83Å; R276-E278 VanDerWaalsContact O-N 3.14Å; E278-I280 VanDerWaalsContact C-N 3.31Å; E278-Q319 HydrophobicContact CB-CB 4.41Å
279D95.1Very high93.7Very high65 Ų6548.5 Ų48.535%0.34824%0.243SC..G310 helixtrans-84.3-10.8176.6-63.4-37000112.3R276 P277 S281 A338R276-D279 WeakPolarHBondContact CB-OD2 3.25Å; R276-D279 PolarHBondContact O-N 3.32Å; P277-D279 VanDerWaalsContact C-N 3.35Å; D279-S281 PolarHBondContact O-N 3.28Å; D279-A338 HydrophobicContact CB-CB 3.59Å
280I95.5Very high93.3Very high2 Ų244.7 Ų44.71%0.0123%0.226CC..  trans-86.7115.4177.3-53.2179.5000110.1N239 I275 P277 E278 W316 I318 L332 F334N239-I280 VanDerWaalsContact ND2-CD1 3.33Å; N239-I280 WeakPolarHBondContact ND2-CD1 3.29Å; I275-I280 HydrophobicContact CG2-CD1 3.97Å; I275-I280 HydrophobicContact CG2-CG1 3.63Å; P277-I280 PolarHBondContact O-N 3.23Å; E278-I280 VanDerWaalsContact C-N 3.31Å; I280-W316 HydrophobicContact CD1-CE3 3.73Å; I280-W316 HydrophobicContact CD1-CZ3 4.14Å; I280-I318 HydrophobicContact CB-CG1 3.85Å; I280-I318 HydrophobicContact CB-CG2 4.23Å; I280-I318 HydrophobicContact CD1-CG1 4.38Å; I280-I318 HydrophobicContact CG2-CG1 3.57Å; I280-I318 HydrophobicContact CG2-CG2 4.44Å; I280-I318 WeakPolarHBondContact O-CG2 3.46Å; I280-L332 HydrophobicContact CG2-CB 4.1Å; I280-L332 HydrophobicContact CG2-CD2 4.14Å; I280-F334 HydrophobicContact CG1-CD1 4.25Å
281S95Very high93.2Very high60 Ų6044.7 Ų44.742%0.4223%0.226SC..EExtended strand (participates in β ladder)trans-90.6131.4172.3-75.90000112.2D279 Y333D279-S281 PolarHBondContact O-N 3.28Å; S281-Y333 PolarHBondContact N-O 3.21Å; S281-Y333 PolarHBondContact O-N 3.1Å
282L94.2Very high93.2Very high28 Ų2844.7 Ų44.715%0.14723%0.226CC..EExtended strand (participates in β ladder)trans-81.2116.1166.2-61.8-175.3000110.4I306 I318 T320 A324 V330 L332L282-I306 HydrophobicContact CD1-CD1 3.54Å; L282-I306 HydrophobicContact CD1-CG2 4.42Å; L282-I318 HydrophobicContact CD2-CD1 4.32Å; L282-I318 HydrophobicContact CD2-CG1 4.21Å; L282-I318 HydrophobicContact CD2-CG2 4.44Å; L282-I318 HydrophobicContact CG-CG2 4.25Å; L282-T320 HydrophobicContact CD1-CG2 4.4Å; L282-A324 HydrophobicContact CD1-CB 4.08Å; L282-V330 HydrophobicContact CD2-CB 4.39Å; L282-V330 HydrophobicContact CD2-CG2 4.01Å; L282-L332 HydrophobicContact CD2-CD2 3.51Å
283I95Very high93.3Very high52 Ų5245.8 Ų45.827%0.26724%0.235SC..EExtended strand (participates in β ladder)trans-124.3-175.5176.565172.9000111E287 G331 Y333I283-E287 HydrophobicContact CD1-CB 3.75Å; I283-E287 VanDerWaalsContact CD1-O 3.25Å; I283-E287 WeakPolarHBondContact CD1-O 3.41Å; I283-E287 HydrophobicContact CG1-CB 4.38Å; I283-G331 PolarHBondContact N-O 2.91Å; I283-G331 PolarHBondContact O-N 3.27Å; I283-Y333 HydrophobicContact CD1-CD2 4.29Å; I283-Y333 HydrophobicContact CD1-CG 4.14Å
284K93.4Very high93.4Very high140 Ų14045.9 Ų45.961%0.60924%0.236SC*.  trans-64.9141.7176.5-63.6-177.7-160.9147.40109.9E286 E287 G288K284-E286 PolarHBondContact O-N 3.39Å; K284-E287 HydrophobicContact CB-CG 4.33Å; K284-E287 IonicContact NZ-OE1 3.22Å; K284-E287 PolarHBondContact NZ-OE1 3.23Å; K284-E287 PolarHBondContact O-N 3.15Å; K284-G288 PolarHBondContact O-N 2.61Å
285A92.3Very high93.5Very high21 Ų2150.1 Ų50.117%0.17426%0.258CS..THydrogen-bonded Turntrans-52.5-30.2-177.700000114.4K291 E329A285-K291 HydrophobicContact CB-CG 4.42Å; A285-K291 WeakPolarHBondContact O-CE 3.37Å; A285-K291 VanDerWaalsContact O-CG 3.25Å; A285-K291 WeakPolarHBondContact O-CG 3.37Å; A285-E329 HydrophobicContact CB-CB 4.34Å
286E91.1Very high93.6Very high176 Ų17652.6 Ų52.682%0.82228%0.276SS*.THydrogen-bonded Turntrans-78.7-21.4-179.9-59.8167.9-155.800113.8K284K284-E286 PolarHBondContact O-N 3.39Å
287E91Very high93.6Very high112 Ų11255.1 Ų55.152%0.52329%0.288SS..THydrogen-bonded Turntrans-100.1-12.5-174.8-62.9169.5-169.400111.6I283 K284I283-E287 HydrophobicContact CD1-CB 3.75Å; I283-E287 VanDerWaalsContact CD1-O 3.25Å; I283-E287 WeakPolarHBondContact CD1-O 3.41Å; I283-E287 HydrophobicContact CG1-CB 4.38Å; K284-E287 HydrophobicContact CB-CG 4.33Å; K284-E287 IonicContact NZ-OE1 3.22Å; K284-E287 PolarHBondContact NZ-OE1 3.23Å; K284-E287 PolarHBondContact O-N 3.15Å
288G87.4Confident93.6Very high21 Ų2159.2 Ų59.222%0.21631%0.31CS..SBendtrans-72.4151.3-179.400000114.7K284 F290 L332K284-G288 PolarHBondContact O-N 2.61Å; G288-F290 VanDerWaalsContact C-N 3.28Å; G288-L332 CarbonylContact C-O 3.58Å; G288-L332 WeakPolarHBondContact CA-O 3.27Å
289L88.9Confident93.7Very high49 Ų4961.4 Ų61.426%0.25732%0.318SS..SBendtrans-62.3-39.7165.2-64.8-178.7000110.9F258 L332 Y333 F334F258-L289 HydrophobicContact CD1-CD1 4.09Å; F258-L289 HydrophobicContact CD1-CD2 4.33Å; F258-L289 HydrophobicContact CE1-CB 3.87Å; F258-L289 HydrophobicContact CE1-CD1 3.96Å; F258-L289 HydrophobicContact CE1-CD2 3.98Å; F258-L289 HydrophobicContact CE1-CG 4.13Å; L289-L332 WeakPolarHBondContact CB-O 3.46Å; L289-L332 PolarHBondContact N-O 2.92Å; L289-Y333 HydrophobicContact CG-CD2 4.24Å; L289-F334 HydrophobicContact CD1-CD1 4.37Å; L289-F334 HydrophobicContact CD1-CD2 3.9Å; L289-F334 HydrophobicContact CD1-CE1 4.23Å; L289-F334 HydrophobicContact CD1-CE2 3.72Å; L289-F334 HydrophobicContact CD1-CG 4.23Å; L289-F334 HydrophobicContact CD1-CZ 3.93Å
290F86.4Confident93.5Very high13 Ų1364.5 Ų64.56%0.05733%0.325CS..EExtended strand (participates in β ladder)trans-125147.3173.1-57.9-88.8000110.6I253 F258 G288 W316 G331 L332 F334I253-F290 HydrophobicContact CG2-CZ 4.25Å; F258-F290 HydrophobicContact CE1-CE2 4.11Å; F258-F290 HydrophobicContact CE1-CZ 4.22Å; F258-F290 HydrophobicContact CE2-CE1 4.45Å; F258-F290 HydrophobicContact CE2-CE2 4.26Å; F258-F290 AromaticContact CE2-CZ 3.63Å; F258-F290 HydrophobicContact CE2-CZ 3.63Å; F258-F290 HydrophobicContact CZ-CE1 4.06Å; F258-F290 AromaticContact CZ-CE2 3.6Å; F258-F290 HydrophobicContact CZ-CE2 3.6Å; F258-F290 AromaticContact CZ-CZ 3.28Å; F258-F290 HydrophobicContact CZ-CZ 3.28Å; G288-F290 VanDerWaalsContact C-N 3.28Å; F290-W316 HydrophobicContact CD2-CZ2 4.41Å; F290-W316 HydrophobicContact CE2-CH2 4.41Å; F290-W316 HydrophobicContact CE2-CZ2 4.29Å; F290-W316 HydrophobicContact CZ-CZ2 4.43Å; F290-G331 CarbonylContact O-C 3.54Å; F290-G331 WeakPolarHBondContact O-CA 3.25Å; F290-L332 HydrophobicContact CB-CB 4.32Å; F290-L332 HydrophobicContact CB-CD1 4.47Å; F290-L332 PolarHBondContact N-O 3.09Å; F290-L332 PolarHBondContact O-N 3.04Å; F290-F334 HydrophobicContact CD2-CE1 4.22Å; F290-F334 HydrophobicContact CD2-CZ 4.41Å; F290-F334 AromaticContact CE2-CE1 3.99Å; F290-F334 HydrophobicContact CE2-CE1 3.99Å; F290-F334 AromaticContact CE2-CZ 3.75Å; F290-F334 HydrophobicContact CE2-CZ 3.75Å
291K93Very high93.3Very high92 Ų9266.6 Ų66.640%0.435%0.347SS..EExtended strand (participates in β ladder)trans-94.1128.9164.2-70.9-174.7-179.6-170.90109A285 D310 N311A285-K291 HydrophobicContact CB-CG 4.42Å; A285-K291 WeakPolarHBondContact O-CE 3.37Å; A285-K291 VanDerWaalsContact O-CG 3.25Å; A285-K291 WeakPolarHBondContact O-CG 3.37Å; K291-D310 WeakPolarHBondContact O-CA 3.25Å; K291-N311 PolarHBondContact O-N 3Å
292A94.7Very high93.1Very high0 Ų069.7 Ų69.70%036%0.363CS..EExtended strand (participates in β ladder)trans-137.8154.5178.600000111.9C308 I309 D310 E329 V330 L332A292-C308 HydrophobicContact CB-CB 3.85Å; A292-I309 CarbonylContact C-O 3.53Å; A292-I309 VanDerWaalsContact CA-O 3.29Å; A292-I309 WeakPolarHBondContact CA-O 3.17Å; A292-D310 HydrophobicContact CB-CB 4.23Å; A292-E329 WeakPolarHBondContact O-CA 3.3Å; A292-V330 HydrophobicContact CB-CG2 4.49Å; A292-V330 PolarHBondContact N-O 3.38Å; A292-V330 WeakPolarHBondContact O-CG2 3.29Å; A292-V330 PolarHBondContact O-N 2.92Å; A292-L332 HydrophobicContact CB-CD1 4.08Å; A292-L332 HydrophobicContact CB-CD2 4.47Å; A292-L332 HydrophobicContact CB-CG 4.12Å
293T96.8Very high93.2Very high54 Ų5470.2 Ų70.233%0.33137%0.365SS..EExtended strand (participates in β ladder)trans-102.2132.2173.6-57.30000109D295 C308 I309 S328T293-D295 PolarHBondContact O-N 2.84Å; T293-C308 CarbonylContact O-C 3.45Å; T293-C308 VanDerWaalsContact O-CA 3.29Å; T293-C308 WeakPolarHBondContact O-CA 3.48Å; T293-I309 PolarHBondContact N-O 2.77Å; T293-I309 PolarHBondContact O-N 3.41Å; T293-S328 WeakPolarHBondContact CA-O 3.41Å
294V97.1Very high93.2Very high1 Ų170.5 Ų70.51%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-69.1114.7175.9-1790000109.4I306 A324 E325 V326 G327 S328 V330V294-I306 HydrophobicContact CG1-CG2 3.79Å; V294-I306 HydrophobicContact CG2-CG2 4.48Å; V294-A324 HydrophobicContact CG1-CB 4.38Å; V294-A324 HydrophobicContact CG2-CB 3.99Å; V294-E325 WeakPolarHBondContact CB-O 3.31Å; V294-V326 HydrophobicContact CG1-CG2 4.37Å; V294-G327 PolarHBondContact O-N 3.32Å; V294-S328 PolarHBondContact N-O 3.15Å; V294-V330 HydrophobicContact CG2-CG1 3.83Å; V294-V330 HydrophobicContact CG2-CG2 3.94Å
295D96.8Very high93.4Very high90 Ų9065.1 Ų65.148%0.48134%0.34SS..EExtended strand (participates in β ladder)trans-89.8-47.5-179.4-179.269.5000111.7T293 C307 I309 V326T293-D295 PolarHBondContact O-N 2.84Å; D295-C307 PolarHBondContact N-O 3.27Å; D295-I309 HydrophobicContact CB-CD1 4.04Å; D295-I309 HydrophobicContact CB-CG1 4.16Å; D295-V326 VanDerWaalsContact O-CG1 3.27Å; D295-V326 WeakPolarHBondContact O-CG1 3.28Å
296S96.6Very high93.6Very high52 Ų5264.1 Ų64.136%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-148.5161.417975.60000112.3C307S296-C307 PolarHBondContact N-O 3.38Å; S296-C307 PolarHBondContact O-N 2.96Å
297M95.6Very high93.9Very high53 Ų5356.4 Ų56.426%0.26130%0.297SS..EExtended strand (participates in β ladder)trans-147.6129.9178174.8178.171.700110.2Y304 E305 I306 K323 A324 V326M297-Y304 HydrophobicContact CE-CD1 4.39Å; M297-Y304 HydrophobicContact CE-CE1 4.46Å; M297-Y304 HydrophobicContact CG-CD1 3.83Å; M297-Y304 HydrophobicContact CG-CG 4.38Å; M297-Y304 HydrophobicContact SD-CD1 3.71Å; M297-Y304 HydrophobicContact SD-CE1 4.27Å; M297-Y304 HydrophobicContact SD-CG 4.15Å; M297-E305 CarbonylContact C-O 3.54Å; M297-E305 WeakPolarHBondContact CA-O 3.29Å; M297-I306 HydrophobicContact CB-CG1 4.31Å; M297-I306 HydrophobicContact CG-CG1 3.9Å; M297-I306 HydrophobicContact SD-CD1 4.32Å; M297-I306 HydrophobicContact SD-CG1 4.27Å; M297-K323 HydrophobicContact CE-CD 4.15Å; M297-K323 HydrophobicContact CE-CG 3.61Å; M297-K323 HydrophobicContact SD-CG 3.81Å; M297-A324 WeakPolarHBondContact CE-O 3.33Å; M297-V326 HydrophobicContact CB-CG2 4.41Å
298L95.4Very high94.1Very high86 Ų8651.1 Ų51.145%0.4527%0.272SS..EExtended strand (participates in β ladder)trans-123.5133.6178-174.662.7000110.1R300 Y304 E305L298-R300 VanDerWaalsContact CD2-CZ 3.41Å; L298-Y304 CarbonylContact O-C 3.58Å; L298-Y304 WeakPolarHBondContact O-CA 3.37Å; L298-E305 PolarHBondContact N-O 3.33Å; L298-E305 PolarHBondContact O-N 2.87Å
299F95.2Very high94.5Very high123 Ų12353.3 Ų53.354%0.53928%0.279SS..EExtended strand (participates in β ladder)trans-87117.1173.9-179.4-117.3000110.1G301 Y304F299-G301 WeakPolarHBondContact CE2-O 3.44Å; F299-G301 WeakPolarHBondContact CZ-O 3.45Å; F299-Y304 HydrophobicContact CB-CD1 3.99Å; F299-Y304 HydrophobicContact CB-CE1 3.86Å; F299-Y304 AromaticContact CD2-CD1 3.91Å; F299-Y304 HydrophobicContact CD2-CD1 3.91Å; F299-Y304 HydrophobicContact CD2-CD2 4.48Å; F299-Y304 AromaticContact CD2-CE1 3.61Å; F299-Y304 HydrophobicContact CD2-CE1 3.61Å; F299-Y304 HydrophobicContact CD2-CE2 4.22Å; F299-Y304 HydrophobicContact CD2-CG 4.34Å; F299-Y304 AromaticContact CD2-CZ 3.77Å; F299-Y304 HydrophobicContact CG-CD1 4.43Å; F299-Y304 HydrophobicContact CG-CE1 4.09Å
300R92.1Very high94.6Very high129 Ų12951.4 Ų51.449%0.48727%0.268SS..  trans-97.37.1-178.4-63.3-71-168.6175-0.8113.2L298 H303 E305L298-R300 VanDerWaalsContact CD2-CZ 3.41Å; R300-H303 PolarHBondContact N-O 2.8Å; R300-E305 HydrophobicContact CG-CB 4.04Å; R300-E305 IonicContact CZ-OE1 2.76Å; R300-E305 IonicContact CZ-OE2 3.71Å; R300-E305 IonicContact NE-OE1 3.76Å; R300-E305 IonicContact NE-OE2 3.53Å; R300-E305 PolarHBondContact NE-OE2 2.8Å; R300-E305 VanDerWaalsContact NH2-CD 3.27Å; R300-E305 IonicContact NH2-OE1 3.59Å; R300-E305 PolarHBondContact NH2-OE1 3.27Å; R300-E305 IonicContact NH2-OE2 3.38Å; R300-E305 PolarHBondContact NH2-OE2 2.98Å
301G92Very high94.6Very high46 Ų4656.3 Ų56.347%0.47430%0.295SS..SBendtrans103.1-57.4176.600000113.6F299F299-G301 WeakPolarHBondContact CE2-O 3.44Å; F299-G301 WeakPolarHBondContact CZ-O 3.45Å
302V90.9Very high94.2Very high125 Ų12557.3 Ų57.376%0.75830%0.3SS*.SBendtrans-98.6-22176.6-63.60000113.2
303H94.7Very high93.8Very high39 Ų3959.9 Ų59.918%0.18133%0.326CS..SBendtrans-141.1169.4177.164.1-99.7000111R300R300-H303 PolarHBondContact N-O 2.8Å
304Y96.3Very high93.3Very high58 Ų5861.5 Ų61.523%0.22733%0.327CS..EExtended strand (participates in β ladder)trans-98.7131.8163.2-64.9-85.8000108.5M297 L298 F299 Q319 T320 K323M297-Y304 HydrophobicContact CE-CD1 4.39Å; M297-Y304 HydrophobicContact CE-CE1 4.46Å; M297-Y304 HydrophobicContact CG-CD1 3.83Å; M297-Y304 HydrophobicContact CG-CG 4.38Å; M297-Y304 HydrophobicContact SD-CD1 3.71Å; M297-Y304 HydrophobicContact SD-CE1 4.27Å; M297-Y304 HydrophobicContact SD-CG 4.15Å; L298-Y304 CarbonylContact O-C 3.58Å; L298-Y304 WeakPolarHBondContact O-CA 3.37Å; F299-Y304 HydrophobicContact CB-CD1 3.99Å; F299-Y304 HydrophobicContact CB-CE1 3.86Å; F299-Y304 AromaticContact CD2-CD1 3.91Å; F299-Y304 HydrophobicContact CD2-CD1 3.91Å; F299-Y304 HydrophobicContact CD2-CD2 4.48Å; F299-Y304 AromaticContact CD2-CE1 3.61Å; F299-Y304 HydrophobicContact CD2-CE1 3.61Å; F299-Y304 HydrophobicContact CD2-CE2 4.22Å; F299-Y304 HydrophobicContact CD2-CG 4.34Å; F299-Y304 AromaticContact CD2-CZ 3.77Å; F299-Y304 HydrophobicContact CG-CD1 4.43Å; F299-Y304 HydrophobicContact CG-CE1 4.09Å; Y304-Q319 WeakPolarHBondContact O-CA 3.34Å; Y304-T320 PolarHBondContact N-O 3.24Å; Y304-T320 PolarHBondContact O-N 2.84Å; Y304-K323 HydrophobicContact CE2-CB 4.25Å
305E96.8Very high93.1Very high27 Ų2767.4 Ų67.413%0.12635%0.354CS..EExtended strand (participates in β ladder)trans-92.9120.2165.6-176.4-175.5103.500106.8M297 L298 R300 V317 I318M297-E305 CarbonylContact C-O 3.54Å; M297-E305 WeakPolarHBondContact CA-O 3.29Å; L298-E305 PolarHBondContact N-O 3.33Å; L298-E305 PolarHBondContact O-N 2.87Å; R300-E305 HydrophobicContact CG-CB 4.04Å; R300-E305 IonicContact CZ-OE1 2.76Å; R300-E305 IonicContact CZ-OE2 3.71Å; R300-E305 IonicContact NE-OE1 3.76Å; R300-E305 IonicContact NE-OE2 3.53Å; R300-E305 PolarHBondContact NE-OE2 2.8Å; R300-E305 VanDerWaalsContact NH2-CD 3.27Å; R300-E305 IonicContact NH2-OE1 3.59Å; R300-E305 PolarHBondContact NH2-OE1 3.27Å; R300-E305 IonicContact NH2-OE2 3.38Å; R300-E305 PolarHBondContact NH2-OE2 2.98Å; E305-V317 HydrophobicContact CG-CG1 3.83Å; E305-I318 CarbonylContact C-O 3.54Å; E305-I318 WeakPolarHBondContact CA-O 3.32Å
306I96.8Very high93Very high0 Ų063.1 Ų63.10%033%0.331CS..EExtended strand (participates in β ladder)trans-120.8118.8-173.7-58.7175.7000107.6L282 V294 M297 I318 T320 A324L282-I306 HydrophobicContact CD1-CD1 3.54Å; L282-I306 HydrophobicContact CD1-CG2 4.42Å; V294-I306 HydrophobicContact CG1-CG2 3.79Å; V294-I306 HydrophobicContact CG2-CG2 4.48Å; M297-I306 HydrophobicContact CB-CG1 4.31Å; M297-I306 HydrophobicContact CG-CG1 3.9Å; M297-I306 HydrophobicContact SD-CD1 4.32Å; M297-I306 HydrophobicContact SD-CG1 4.27Å; I306-I318 HydrophobicContact CB-CB 4.46Å; I306-I318 PolarHBondContact N-O 3.14Å; I306-I318 WeakPolarHBondContact O-CD1 3.45Å; I306-I318 PolarHBondContact O-N 2.87Å; I306-T320 HydrophobicContact CD1-CG2 3.65Å; I306-A324 HydrophobicContact CD1-CB 3.92Å
307C97Very high93Very high15 Ų1562.2 Ų62.210%0.10132%0.324CS..EExtended strand (participates in β ladder)trans-90.5127.5170.2-63.90000109.2D295 S296 W316D295-C307 PolarHBondContact N-O 3.27Å; S296-C307 PolarHBondContact N-O 3.38Å; S296-C307 PolarHBondContact O-N 2.96Å; C307-W316 CarbonylContact C-O 3.6Å; C307-W316 WeakPolarHBondContact CA-O 3.15Å
308C96.4Very high93.1Very high0 Ų059.7 Ų59.70%031%0.311CS..EExtended strand (participates in β ladder)trans-121.7144.3178.2-71.80000109.8A292 T293 E315 W316 I318A292-C308 HydrophobicContact CB-CB 3.85Å; T293-C308 CarbonylContact O-C 3.45Å; T293-C308 VanDerWaalsContact O-CA 3.29Å; T293-C308 WeakPolarHBondContact O-CA 3.48Å; C308-E315 CarbonylContact O-C 3.57Å; C308-E315 WeakPolarHBondContact O-CA 3.33Å; C308-W316 HydrophobicContact CB-CB 4.32Å; C308-W316 PolarHBondContact N-O 2.82Å; C308-W316 PolarHBondContact O-N 2.79Å; C308-I318 HydrophobicContact CB-CD1 3.93Å
309I95.2Very high93.1Very high68 Ų6857.5 Ų57.535%0.34930%0.299SS..EExtended strand (participates in β ladder)trans-112.5121.2172.9-59.8172.1000108.3A292 T293 D295 Y314A292-I309 CarbonylContact C-O 3.53Å; A292-I309 VanDerWaalsContact CA-O 3.29Å; A292-I309 WeakPolarHBondContact CA-O 3.17Å; T293-I309 PolarHBondContact N-O 2.77Å; T293-I309 PolarHBondContact O-N 3.41Å; D295-I309 HydrophobicContact CB-CD1 4.04Å; D295-I309 HydrophobicContact CB-CG1 4.16Å; I309-Y314 CarbonylContact C-O 3.6Å; I309-Y314 WeakPolarHBondContact CA-O 3.45Å
310D91.5Very high93.1Very high8 Ų852.8 Ų52.84%0.04328%0.28CS..EExtended strand (participates in β ladder)trans-77170.1177.779.216.3000113K291 A292 K312 G313 Y314 W316K291-D310 WeakPolarHBondContact O-CA 3.25Å; A292-D310 HydrophobicContact CB-CB 4.23Å; D310-K312 PolarHBondContact O-N 3.28Å; D310-K312 VanDerWaalsContact OD1-CA 3.3Å; D310-K312 WeakPolarHBondContact OD1-CA 3.31Å; D310-K312 WeakPolarHBondContact OD1-CB 3.33Å; D310-K312 PolarHBondContact OD1-N 2.9Å; D310-G313 PolarHBondContact O-N 2.96Å; D310-G313 PolarHBondContact OD1-N 2.99Å; D310-Y314 PolarHBondContact N-O 2.84Å; D310-Y314 PolarHBondContact OD1-N 3.11Å; D310-Y314 WeakPolarHBondContact OD2-CD2 3.44Å; D310-W316 PolarHBondContact OD2-NE1 3.26Å; D310-W316 VanDerWaalsContact OD2-NE1 3.12Å
311N86.5Confident93.2Very high117 Ų11751.9 Ų51.963%0.62629%0.289SS*.THydrogen-bonded Turntrans-62.1-12-179.8-73.3-16.4000115K291K291-N311 PolarHBondContact O-N 3Å
312K84.3Confident93.2Very high113 Ų11356.4 Ų56.449%0.49130%0.295SS..THydrogen-bonded Turntrans-100.5-2.1176.1-65.2176.4-173.6157.50112.2Y254 D310 Y314Y254-K312 HydrophobicContact CG-CD 4.39Å; Y254-K312 PolarHBondContact O-NZ 2.9Å; D310-K312 PolarHBondContact O-N 3.28Å; D310-K312 VanDerWaalsContact OD1-CA 3.3Å; D310-K312 WeakPolarHBondContact OD1-CA 3.31Å; D310-K312 WeakPolarHBondContact OD1-CB 3.33Å; D310-K312 PolarHBondContact OD1-N 2.9Å; K312-Y314 HydrophobicContact CB-CD2 3.61Å; K312-Y314 HydrophobicContact CB-CE2 3.48Å; K312-Y314 VanDerWaalsContact CB-CE2 3.48Å; K312-Y314 HydrophobicContact CD-CE2 4.15Å; K312-Y314 HydrophobicContact CG-CE2 4.46Å
313G85.9Confident93.3Very high54 Ų5457.8 Ų57.856%0.55729%0.291SS*.SBendtrans89.613.4177.500000114.1D310D310-G313 PolarHBondContact O-N 2.96Å; D310-G313 PolarHBondContact OD1-N 2.99Å
314Y87.3Confident93.1Very high88 Ų8856.5 Ų56.535%0.34529%0.288SS..  trans-83.1137.4175.4-57.8-69.4000110.8Y254 I309 D310 K312Y254-Y314 HydrophobicContact CD1-CD2 4.21Å; Y254-Y314 HydrophobicContact CD1-CE1 4.3Å; Y254-Y314 AromaticContact CD1-CE2 3.36Å; Y254-Y314 HydrophobicContact CD1-CE2 3.36Å; Y254-Y314 AromaticContact CD1-CZ 3.41Å; Y254-Y314 VanDerWaalsContact CD1-CZ 3.41Å; Y254-Y314 VanDerWaalsContact CD1-OH 3.3Å; Y254-Y314 WeakPolarHBondContact CD1-OH 3.38Å; Y254-Y314 AromaticContact CD2-CD2 3.48Å; Y254-Y314 HydrophobicContact CD2-CD2 3.48Å; Y254-Y314 VanDerWaalsContact CD2-CD2 3.48Å; Y254-Y314 AromaticContact CD2-CE2 3.44Å; Y254-Y314 HydrophobicContact CD2-CE2 3.44Å; Y254-Y314 VanDerWaalsContact CD2-CE2 3.44Å; Y254-Y314 HydrophobicContact CD2-CG 4.27Å; Y254-Y314 HydrophobicContact CE1-CD1 4.1Å; Y254-Y314 AromaticContact CE1-CD2 3.99Å; Y254-Y314 HydrophobicContact CE1-CD2 3.99Å; Y254-Y314 AromaticContact CE1-CE1 3.47Å; Y254-Y314 HydrophobicContact CE1-CE1 3.47Å; Y254-Y314 VanDerWaalsContact CE1-CE1 3.47Å; Y254-Y314 AromaticContact CE1-CE2 3.32Å; Y254-Y314 HydrophobicContact CE1-CE2 3.32Å; Y254-Y314 HydrophobicContact CE1-CG 4.33Å; Y254-Y314 AromaticContact CE1-CZ 3.02Å; Y254-Y314 WeakPolarHBondContact CE1-OH 3.42Å; Y254-Y314 AromaticContact CE2-CD1 3.99Å; Y254-Y314 HydrophobicContact CE2-CD1 3.99Å; Y254-Y314 AromaticContact CE2-CD2 3.17Å; Y254-Y314 HydrophobicContact CE2-CD2 3.17Å; Y254-Y314 HydrophobicContact CE2-CE1 4.17Å; Y254-Y314 AromaticContact CE2-CE2 3.38Å; Y254-Y314 HydrophobicContact CE2-CE2 3.38Å; Y254-Y314 AromaticContact CE2-CG 3.5Å; Y254-Y314 HydrophobicContact CE2-CG 3.5Å; Y254-Y314 AromaticContact CE2-CZ 3.89Å; Y254-Y314 AromaticContact CG-CD2 3.99Å; Y254-Y314 HydrophobicContact CG-CD2 3.99Å; Y254-Y314 AromaticContact CG-CE2 3.43Å; Y254-Y314 HydrophobicContact CG-CE2 3.43Å; Y254-Y314 VanDerWaalsContact CG-CE2 3.43Å; Y254-Y314 AromaticContact CZ-CD1 3.49Å; Y254-Y314 VanDerWaalsContact CZ-CD1 3.49Å; Y254-Y314 AromaticContact CZ-CD2 3.44Å; Y254-Y314 VanDerWaalsContact CZ-CD2 3.44Å; Y254-Y314 AromaticContact CZ-CE1 3.36Å; Y254-Y314 AromaticContact CZ-CE2 3.31Å; Y254-Y314 AromaticContact CZ-CG 3.52Å; Y254-Y314 AromaticContact CZ-CZ 3.27Å; Y254-Y314 WeakPolarHBondContact OH-CD1 2.93Å; Y254-Y314 WeakPolarHBondContact OH-CE1 3.34Å; I309-Y314 CarbonylContact C-O 3.6Å; I309-Y314 WeakPolarHBondContact CA-O 3.45Å; D310-Y314 PolarHBondContact N-O 2.84Å; D310-Y314 PolarHBondContact OD1-N 3.11Å; D310-Y314 WeakPolarHBondContact OD2-CD2 3.44Å; K312-Y314 HydrophobicContact CB-CD2 3.61Å; K312-Y314 HydrophobicContact CB-CE2 3.48Å; K312-Y314 VanDerWaalsContact CB-CE2 3.48Å; K312-Y314 HydrophobicContact CD-CE2 4.15Å; K312-Y314 HydrophobicContact CG-CE2 4.46Å
315E92.7Very high93Very high124 Ų12461 Ų6158%0.57931%0.31SS*.EExtended strand (participates in β ladder)trans-87.4134.5175.8-172.2174.4-176.300109.7C308C308-E315 CarbonylContact O-C 3.57Å; C308-E315 WeakPolarHBondContact O-CA 3.33Å
316W94.8Very high93Very high0 Ų063.8 Ų63.80%033%0.33CS..EExtended strand (participates in β ladder)trans-125.1128.8178.7-65.888.5000108.7N239 V241 I275 I280 F290 C307 C308 D310 I318 L332 F334N239-W316 HydrophobicContact CB-CE3 3.89Å; N239-W316 HydrophobicContact CB-CZ3 4.01Å; N239-W316 WeakPolarHBondContact OD1-CA 3.42Å; V241-W316 HydrophobicContact CG1-CH2 3.81Å; V241-W316 HydrophobicContact CG1-CZ2 4.03Å; V241-W316 HydrophobicContact CG1-CZ3 4.32Å; V241-W316 HydrophobicContact CG2-CH2 4.4Å; I275-W316 HydrophobicContact CD1-CH2 4.36Å; I275-W316 HydrophobicContact CD1-CZ3 4.11Å; I280-W316 HydrophobicContact CD1-CE3 3.73Å; I280-W316 HydrophobicContact CD1-CZ3 4.14Å; F290-W316 HydrophobicContact CD2-CZ2 4.41Å; F290-W316 HydrophobicContact CE2-CH2 4.41Å; F290-W316 HydrophobicContact CE2-CZ2 4.29Å; F290-W316 HydrophobicContact CZ-CZ2 4.43Å; C307-W316 CarbonylContact C-O 3.6Å; C307-W316 WeakPolarHBondContact CA-O 3.15Å; C308-W316 HydrophobicContact CB-CB 4.32Å; C308-W316 PolarHBondContact N-O 2.82Å; C308-W316 PolarHBondContact O-N 2.79Å; D310-W316 PolarHBondContact OD2-NE1 3.26Å; D310-W316 VanDerWaalsContact OD2-NE1 3.12Å; W316-I318 HydrophobicContact CB-CD1 3.98Å; W316-L332 HydrophobicContact CB-CD1 3.81Å; W316-L332 HydrophobicContact CD2-CD1 3.81Å; W316-L332 HydrophobicContact CE3-CD1 4.46Å; W316-L332 HydrophobicContact CG-CD1 3.48Å; W316-L332 VanDerWaalsContact CG-CD1 3.48Å; W316-F334 HydrophobicContact CH2-CE1 4.44Å; W316-F334 HydrophobicContact CZ3-CE1 4.4Å
317V96Very high92.9Very high33 Ų3366.4 Ų66.420%0.236%0.356CS..EExtended strand (participates in β ladder)trans-99.7128.4172.1-177.30000108.3N239 P277 E305N239-V317 PolarHBondContact ND2-O 3.41Å; N239-V317 PolarHBondContact OD1-N 2.78Å; P277-V317 WeakPolarHBondContact CA-O 3.46Å; P277-V317 HydrophobicContact CB-CG1 4.25Å; P277-V317 WeakPolarHBondContact CB-O 3.33Å; P277-V317 HydrophobicContact CG-CB 4.36Å; P277-V317 HydrophobicContact CG-CG1 4.21Å; E305-V317 HydrophobicContact CG-CG1 3.83Å
318I96.8Very high92.9Very high0 Ų067.4 Ų67.40%036%0.363CS..EExtended strand (participates in β ladder)trans-124.8131.7179.5-59.291.6000109.1P277 I280 L282 E305 I306 C308 W316 T320 L332P277-I318 WeakPolarHBondContact O-CA 3.27Å; I280-I318 HydrophobicContact CB-CG1 3.85Å; I280-I318 HydrophobicContact CB-CG2 4.23Å; I280-I318 HydrophobicContact CD1-CG1 4.38Å; I280-I318 HydrophobicContact CG2-CG1 3.57Å; I280-I318 HydrophobicContact CG2-CG2 4.44Å; I280-I318 WeakPolarHBondContact O-CG2 3.46Å; L282-I318 HydrophobicContact CD2-CD1 4.32Å; L282-I318 HydrophobicContact CD2-CG1 4.21Å; L282-I318 HydrophobicContact CD2-CG2 4.44Å; L282-I318 HydrophobicContact CG-CG2 4.25Å; E305-I318 CarbonylContact C-O 3.54Å; E305-I318 WeakPolarHBondContact CA-O 3.32Å; I306-I318 HydrophobicContact CB-CB 4.46Å; I306-I318 PolarHBondContact N-O 3.14Å; I306-I318 WeakPolarHBondContact O-CD1 3.45Å; I306-I318 PolarHBondContact O-N 2.87Å; C308-I318 HydrophobicContact CB-CD1 3.93Å; W316-I318 HydrophobicContact CB-CD1 3.98Å; I318-T320 HydrophobicContact CG2-CG2 4.29Å; I318-L332 HydrophobicContact CD1-CD2 3.96Å; I318-L332 HydrophobicContact CG1-CD2 4.3Å
319Q96.3Very high92.8Very high41 Ų4173.4 Ų73.419%0.19239%0.391CS..EExtended strand (participates in β ladder)trans-107.3113.5173.2-71.4-175.515.500110E237 P277 E278 Y304E237-Q319 PolarHBondContact OE2-NE2 3.44Å; P277-Q319 HydrophobicContact CB-CB 4.07Å; P277-Q319 HydrophobicContact CB-CG 3.72Å; P277-Q319 PolarHBondContact O-N 2.83Å; E278-Q319 HydrophobicContact CB-CB 4.41Å; Y304-Q319 WeakPolarHBondContact O-CA 3.34Å
320T95.7Very high92.9Very high23 Ų2370.9 Ų70.914%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-147.5154.7-175.8-173.70000113.2L282 Y304 I306 I318 K322L282-T320 HydrophobicContact CD1-CG2 4.4Å; Y304-T320 PolarHBondContact N-O 3.24Å; Y304-T320 PolarHBondContact O-N 2.84Å; I306-T320 HydrophobicContact CD1-CG2 3.65Å; I318-T320 HydrophobicContact CG2-CG2 4.29Å; T320-K322 HydrophobicContact CG2-CB 4.48Å; T320-K322 VanDerWaalsContact CG2-O 3.29Å; T320-K322 WeakPolarHBondContact CG2-O 3.49Å; T320-K322 PolarHBondContact O-N 3.11Å; T320-K322 PolarHBondContact OG1-N 3.4Å
321T94.2Very high93Very high110 Ų11070.5 Ų70.568%0.67538%0.377SS*.SBendtrans-80.3-7.8173.955.80000112.8
322K92Very high93.4Very high141 Ų14164.9 Ų64.961%0.61335%0.347SS*.SBendtrans-93.7132.5-178.5-65.1176.2-175.1167.60111T320T320-K322 HydrophobicContact CG2-CB 4.48Å; T320-K322 VanDerWaalsContact CG2-O 3.29Å; T320-K322 WeakPolarHBondContact CG2-O 3.49Å; T320-K322 PolarHBondContact O-N 3.11Å; T320-K322 PolarHBondContact OG1-N 3.4Å
323K91.5Very high93.9Very high154 Ų15463.4 Ų63.467%0.6734%0.339SS*.  trans-75.7141.6175.1-172.7177.2178.7-177.70110.9M297 Y304M297-K323 HydrophobicContact CE-CD 4.15Å; M297-K323 HydrophobicContact CE-CG 3.61Å; M297-K323 HydrophobicContact SD-CG 3.81Å; Y304-K323 HydrophobicContact CE2-CB 4.25Å
324A92.2Very high94.3Very high13 Ų1361 Ų6111%0.10731%0.313CS..  trans-114164.1166.700000111.6L282 V294 M297 I306L282-A324 HydrophobicContact CD1-CB 4.08Å; V294-A324 HydrophobicContact CG1-CB 4.38Å; V294-A324 HydrophobicContact CG2-CB 3.99Å; M297-A324 WeakPolarHBondContact CE-O 3.33Å; I306-A324 HydrophobicContact CD1-CB 3.92Å
325E93.8Very high94.6Very high151 Ų15160.8 Ų60.871%0.70632%0.318SS*.  trans-96.8124173.6-173.8170.9-167.300109.5V294 G327 S328V294-E325 WeakPolarHBondContact CB-O 3.31Å; E325-G327 PolarHBondContact O-N 2.91Å; E325-S328 VanDerWaalsContact O-CB 3.29Å; E325-S328 WeakPolarHBondContact O-CB 3.35Å; E325-S328 PolarHBondContact O-N 2.86Å; E325-S328 PolarHBondContact O-OG 3.01Å
326V96.2Very high94.7Very high87 Ų8756.8 Ų56.853%0.52730%0.303SS..THydrogen-bonded Turntrans-60.2129.4176.41750000109.4V294 D295 M297V294-V326 HydrophobicContact CG1-CG2 4.37Å; D295-V326 VanDerWaalsContact O-CG1 3.27Å; D295-V326 WeakPolarHBondContact O-CG1 3.28Å; M297-V326 HydrophobicContact CB-CG2 4.41Å
327G95.4Very high94.6Very high54 Ų5462.8 Ų62.856%0.55733%0.331SS*.THydrogen-bonded Turntrans88.6-4.3-174.800000115.1V294 E325V294-G327 PolarHBondContact O-N 3.32Å; E325-G327 PolarHBondContact O-N 2.91Å
328S95.5Very high94.5Very high36 Ų3661.6 Ų61.625%0.25233%0.325SS..  trans-78.3150.3174.166.90000112.2T293 V294 E325T293-S328 WeakPolarHBondContact CA-O 3.41Å; V294-S328 PolarHBondContact N-O 3.15Å; E325-S328 VanDerWaalsContact O-CB 3.29Å; E325-S328 WeakPolarHBondContact O-CB 3.35Å; E325-S328 PolarHBondContact O-N 2.86Å; E325-S328 PolarHBondContact O-OG 3.01Å
329E96Very high94.3Very high126 Ų12661.7 Ų61.759%0.58933%0.325SS*.EExtended strand (participates in β ladder)trans-85.1130.4170.5-69.9-174.194.800110.5A285 A292A285-E329 HydrophobicContact CB-CB 4.34Å; A292-E329 WeakPolarHBondContact O-CA 3.3Å
330V95.9Very high94.1Very high15 Ų1560.3 Ų60.39%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-128.9157.4-179.4-65.20000110.7L282 A292 V294 L332L282-V330 HydrophobicContact CD2-CB 4.39Å; L282-V330 HydrophobicContact CD2-CG2 4.01Å; A292-V330 HydrophobicContact CB-CG2 4.49Å; A292-V330 PolarHBondContact N-O 3.38Å; A292-V330 WeakPolarHBondContact O-CG2 3.29Å; A292-V330 PolarHBondContact O-N 2.92Å; V294-V330 HydrophobicContact CG2-CG1 3.83Å; V294-V330 HydrophobicContact CG2-CG2 3.94Å; V330-L332 HydrophobicContact CG2-CD2 4.4Å
331G95.1Very high94Very high0 Ų059.3 Ų59.30%031%0.313CS..EExtended strand (participates in β ladder)trans-97.5133169.100000109.5I283 F290I283-G331 PolarHBondContact N-O 2.91Å; I283-G331 PolarHBondContact O-N 3.27Å; F290-G331 CarbonylContact O-C 3.54Å; F290-G331 WeakPolarHBondContact O-CA 3.25Å
332L94.6Very high94Very high0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-93.9132.6170.3-53.1-175.9000108.9I280 L282 G288 L289 F290 A292 W316 I318 V330I280-L332 HydrophobicContact CG2-CB 4.1Å; I280-L332 HydrophobicContact CG2-CD2 4.14Å; L282-L332 HydrophobicContact CD2-CD2 3.51Å; G288-L332 CarbonylContact C-O 3.58Å; G288-L332 WeakPolarHBondContact CA-O 3.27Å; L289-L332 WeakPolarHBondContact CB-O 3.46Å; L289-L332 PolarHBondContact N-O 2.92Å; F290-L332 HydrophobicContact CB-CB 4.32Å; F290-L332 HydrophobicContact CB-CD1 4.47Å; F290-L332 PolarHBondContact N-O 3.09Å; F290-L332 PolarHBondContact O-N 3.04Å; A292-L332 HydrophobicContact CB-CD1 4.08Å; A292-L332 HydrophobicContact CB-CD2 4.47Å; A292-L332 HydrophobicContact CB-CG 4.12Å; W316-L332 HydrophobicContact CB-CD1 3.81Å; W316-L332 HydrophobicContact CD2-CD1 3.81Å; W316-L332 HydrophobicContact CE3-CD1 4.46Å; W316-L332 HydrophobicContact CG-CD1 3.48Å; W316-L332 VanDerWaalsContact CG-CD1 3.48Å; I318-L332 HydrophobicContact CD1-CD2 3.96Å; I318-L332 HydrophobicContact CG1-CD2 4.3Å; V330-L332 HydrophobicContact CG2-CD2 4.4Å
333Y94.5Very high94.1Very high82 Ų8248.1 Ų48.132%0.32226%0.255SS..EExtended strand (participates in β ladder)trans-137141.9176.3176.9-85000109.7S281 I283 L289 D335S281-Y333 PolarHBondContact N-O 3.21Å; S281-Y333 PolarHBondContact O-N 3.1Å; I283-Y333 HydrophobicContact CD1-CD2 4.29Å; I283-Y333 HydrophobicContact CD1-CG 4.14Å; L289-Y333 HydrophobicContact CG-CD2 4.24Å; Y333-D335 VanDerWaalsContact CE1-OD1 3.25Å; Y333-D335 WeakPolarHBondContact CE1-OD1 3.36Å; Y333-D335 PolarHBondContact OH-OD1 3.07Å
334F94.5Very high94Very high4 Ų443.9 Ų43.92%0.01824%0.244CC..  trans-150.2148.3172.743.2-99.5000107.3I275 I280 L289 F290 W316 A338 I339I275-F334 HydrophobicContact CD1-CD1 3.97Å; I275-F334 HydrophobicContact CD1-CD2 3.88Å; I275-F334 HydrophobicContact CD1-CE1 3.56Å; I275-F334 HydrophobicContact CD1-CE2 3.46Å; I275-F334 VanDerWaalsContact CD1-CE2 3.46Å; I275-F334 HydrophobicContact CD1-CG 4.11Å; I275-F334 HydrophobicContact CD1-CZ 3.25Å; I275-F334 HydrophobicContact CG2-CB 4.35Å; I275-F334 HydrophobicContact CG2-CD1 4.28Å; I275-F334 HydrophobicContact CG2-CG 4.22Å; I280-F334 HydrophobicContact CG1-CD1 4.25Å; L289-F334 HydrophobicContact CD1-CD1 4.37Å; L289-F334 HydrophobicContact CD1-CD2 3.9Å; L289-F334 HydrophobicContact CD1-CE1 4.23Å; L289-F334 HydrophobicContact CD1-CE2 3.72Å; L289-F334 HydrophobicContact CD1-CG 4.23Å; L289-F334 HydrophobicContact CD1-CZ 3.93Å; F290-F334 HydrophobicContact CD2-CE1 4.22Å; F290-F334 HydrophobicContact CD2-CZ 4.41Å; F290-F334 AromaticContact CE2-CE1 3.99Å; F290-F334 HydrophobicContact CE2-CE1 3.99Å; F290-F334 AromaticContact CE2-CZ 3.75Å; F290-F334 HydrophobicContact CE2-CZ 3.75Å; W316-F334 HydrophobicContact CH2-CE1 4.44Å; W316-F334 HydrophobicContact CZ3-CE1 4.4Å; F334-A338 HydrophobicContact CB-CB 4.27Å; F334-I339 HydrophobicContact CD2-CD1 3.94Å; F334-I339 HydrophobicContact CD2-CG1 3.73Å; F334-I339 HydrophobicContact CE2-CD1 3.57Å; F334-I339 HydrophobicContact CE2-CG1 3.7Å
335D93.8Very high93.8Very high82 Ų8246.9 Ų46.944%0.43928%0.276SS..  trans-78157.5-179.8-66.3-58.1000110.8Y333 E337 A338Y333-D335 VanDerWaalsContact CE1-OD1 3.25Å; Y333-D335 WeakPolarHBondContact CE1-OD1 3.36Å; Y333-D335 PolarHBondContact OH-OD1 3.07Å; D335-E337 WeakPolarHBondContact CB-OE2 3.29Å; D335-E337 PolarHBondContact O-N 2.7Å; D335-E337 VanDerWaalsContact O-N 3.17Å; D335-A338 WeakPolarHBondContact O-CB 3.41Å; D335-A338 PolarHBondContact O-N 2.91Å
336P93.6Very high93.6Very high41 Ų4141.1 Ų41.127%0.26625%0.249SC..G310 helixtrans-52.2-33.7178-30.738.7000114.7E259 A338 I339E259-P336 HydrophobicContact CB-CB 4.27Å; E259-P336 HydrophobicContact CB-CG 4.1Å; E259-P336 WeakPolarHBondContact O-CA 3.45Å; E259-P336 VanDerWaalsContact O-CB 3.31Å; E259-P336 WeakPolarHBondContact O-CB 3.48Å; P336-A338 PolarHBondContact O-N 3.26Å; P336-I339 PolarHBondContact O-N 3.38Å
337E92.7Very high93.2Very high125 Ų12540.3 Ų40.358%0.58424%0.244SC*.G310 helixtrans-67.9-18.9178.3-62.784.3172.300113.4V261 D335 I339 H340V261-E337 HydrophobicContact CG1-CG 4.04Å; D335-E337 WeakPolarHBondContact CB-OE2 3.29Å; D335-E337 PolarHBondContact O-N 2.7Å; D335-E337 VanDerWaalsContact O-N 3.17Å; E337-I339 VanDerWaalsContact C-N 3.31Å; E337-H340 PolarHBondContact O-CE1 3.16Å
338A93.3Very high92.8Very high9 Ų940.2 Ų40.27%0.07423%0.229CC..G310 helixtrans-88.61.1177.200000113.3D279 F334 D335 P336D279-A338 HydrophobicContact CB-CB 3.59Å; F334-A338 HydrophobicContact CB-CB 4.27Å; D335-A338 WeakPolarHBondContact O-CB 3.41Å; D335-A338 PolarHBondContact O-N 2.91Å; P336-A338 PolarHBondContact O-N 3.26Å
339I93.5Very high92.4Very high2 Ų245 Ų451%0.0125%0.248CC..  trans-100.396.6-179.9-54.4-176000108.4V251 F258 E259 C260 V273 F334 P336 E337 I341V251-I339 HydrophobicContact CG1-CG2 3.87Å; F258-I339 HydrophobicContact CB-CD1 3.84Å; E259-I339 WeakPolarHBondContact O-CD1 3.34Å; C260-I339 HydrophobicContact CB-CB 3.89Å; C260-I339 HydrophobicContact CB-CG2 3.82Å; V273-I339 HydrophobicContact CG1-CG2 3.47Å; V273-I339 VanDerWaalsContact CG1-CG2 3.47Å; F334-I339 HydrophobicContact CD2-CD1 3.94Å; F334-I339 HydrophobicContact CD2-CG1 3.73Å; F334-I339 HydrophobicContact CE2-CD1 3.57Å; F334-I339 HydrophobicContact CE2-CG1 3.7Å; P336-I339 PolarHBondContact O-N 3.38Å; E337-I339 VanDerWaalsContact C-N 3.31Å; I339-I341 HydrophobicContact CG2-CD1 4.02Å
340H92Very high92Very high12 Ų1244 Ų446%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-96.3134.4178.3-53-75.9000110.9D224 E225 V273 V274 E337D224-H340 WeakPolarHBondContact O-CB 3.19Å; D224-H340 PolarHBondContact O-CD2 2.85Å; D224-H340 PolarHBondContact O-CE1 2.9Å; D224-H340 VanDerWaalsContact O-CE1 3.31Å; D224-H340 PolarHBondContact O-ND1 3.49Å; E225-H340 IonicContact OE1-CE1 3.72Å; E225-H340 IonicContact OE1-ND1 3.15Å; E225-H340 PolarHBondContact OE1-ND1 2.82Å; V273-H340 WeakPolarHBondContact CA-O 3.32Å; V274-H340 HydrophobicContact CB-CB 4.35Å; V274-H340 PolarHBondContact N-O 3.25Å; V274-H340 PolarHBondContact O-N 3.35Å; V274-H340 VanDerWaalsContact O-N 3.08Å; E337-H340 PolarHBondContact O-CE1 3.16Å
341I93.7Very high91.7Very high2 Ų243.7 Ų43.71%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-105.5116.7-175.3-53.2-60.3000111.9M245 V251 D262 I265 V271 V273 I339 R354M245-I341 HydrophobicContact CG-CG2 4.42Å; M245-I341 HydrophobicContact SD-CD1 4.25Å; M245-I341 HydrophobicContact SD-CG1 4.05Å; M245-I341 HydrophobicContact SD-CG2 3.99Å; V251-I341 HydrophobicContact CB-CD1 3.88Å; V251-I341 HydrophobicContact CG1-CD1 3.95Å; V251-I341 HydrophobicContact CG2-CD1 3.84Å; D262-I341 HydrophobicContact CB-CB 3.93Å; D262-I341 HydrophobicContact CB-CG1 3.7Å; D262-I341 VanDerWaalsContact OD2-CG1 3.27Å; D262-I341 WeakPolarHBondContact OD2-CG1 3.39Å; D262-I341 PolarHBondContact OD2-N 3.12Å; D262-I341 VanDerWaalsContact OD2-N 3.11Å; I265-I341 HydrophobicContact CD1-CB 3.96Å; I265-I341 HydrophobicContact CD1-CG2 3.4Å; V271-I341 HydrophobicContact CB-CG2 3.62Å; V271-I341 HydrophobicContact CG1-CG2 3.68Å; V271-I341 HydrophobicContact CG2-CG2 3.89Å; V273-I341 HydrophobicContact CB-CD1 4.43Å; V273-I341 HydrophobicContact CG1-CD1 4.38Å; V273-I341 HydrophobicContact CG2-CD1 3.7Å; I339-I341 HydrophobicContact CG2-CD1 4.02Å; I341-R354 PolarHBondContact O-NH2 2.93Å
342M93.9Very high91.3Very high2 Ų246.5 Ų46.51%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-97.7136.3169.5-58.3-171.7-56.800111.2P226 R229 A232 I240 V271 E272 V274 P344P226-M342 HydrophobicContact CB-SD 4.36Å; P226-M342 HydrophobicContact CG-CG 4.48Å; P226-M342 HydrophobicContact CG-SD 4.04Å; P226-M342 VanDerWaalsContact O-CG 3.26Å; P226-M342 WeakPolarHBondContact O-CG 3.49Å; R229-M342 HydrophobicContact CB-CE 4.09Å; R229-M342 PolarHBondContact N-SD 2.74Å; R229-M342 VanDerWaalsContact N-SD 3.44Å; A232-M342 HydrophobicContact CB-CE 4.28Å; A232-M342 HydrophobicContact CB-SD 3.86Å; I240-M342 HydrophobicContact CD1-CE 4.27Å; I240-M342 HydrophobicContact CG2-CE 4.07Å; V271-M342 WeakPolarHBondContact CA-O 3.3Å; V271-M342 WeakPolarHBondContact CB-O 3.4Å; E272-M342 HydrophobicContact CB-CB 4.29Å; E272-M342 HydrophobicContact CB-CE 3.83Å; E272-M342 PolarHBondContact N-O 3.5Å; E272-M342 PolarHBondContact O-N 3.44Å; V274-M342 HydrophobicContact CG2-CE 3.24Å; V274-M342 HydrophobicContact CG2-CG 3.79Å; V274-M342 HydrophobicContact CG2-SD 3.54Å; V274-M342 VanDerWaalsContact CG2-SD 3.54Å; M342-P344 WeakPolarHBondContact O-CD 3.25Å
343V93.5Very high91Very high13 Ų1352.4 Ų52.48%0.07928%0.281CS..  trans-102.2110.4175.7-177.40000109.4I265 K269 V271 G345 E346I265-V343 HydrophobicContact CD1-CG2 3.73Å; I265-V343 HydrophobicContact CG1-CG2 3.98Å; I265-V343 HydrophobicContact CG2-CG2 4.02Å; K269-V343 HydrophobicContact CG-CG1 4.42Å; V271-V343 HydrophobicContact CG1-CG2 4.24Å; V343-G345 PolarHBondContact O-N 2.9Å; V343-G345 VanDerWaalsContact O-N 3.12Å; V343-E346 HydrophobicContact CB-CB 3.92Å; V343-E346 HydrophobicContact CG1-CB 4.27Å; V343-E346 VanDerWaalsContact O-CB 3.22Å; V343-E346 WeakPolarHBondContact O-CB 3.42Å; V343-E346 PolarHBondContact O-N 2.84Å
344P90.5Very high90.7Very high66 Ų6649.2 Ų49.243%0.42927%0.268SS..THydrogen-bonded Turntrans-58.2121.5-178.9-28.236.4000112.9E272 M342E272-P344 HydrophobicContact CG-CG 3.99Å; M342-P344 WeakPolarHBondContact O-CD 3.25Å
345G87.8Confident90.3Very high75 Ų7551.2 Ų51.277%0.77328%0.279SS*.THydrogen-bonded Turntrans87.83179.200000115.2V343V343-G345 PolarHBondContact O-N 2.9Å; V343-G345 VanDerWaalsContact O-N 3.12Å
346E89.4Confident89.8Confident30 Ų3053.2 Ų53.214%0.1429%0.286CS..  trans-62.1133.7168.3-172.2169.7-120.500109.6V343 E350 F351 R354V343-E346 HydrophobicContact CB-CB 3.92Å; V343-E346 HydrophobicContact CG1-CB 4.27Å; V343-E346 VanDerWaalsContact O-CB 3.22Å; V343-E346 WeakPolarHBondContact O-CB 3.42Å; V343-E346 PolarHBondContact O-N 2.84Å; E346-E350 WeakPolarHBondContact CA-OE2 3.49Å; E346-E350 HydrophobicContact CG-CB 3.74Å; E346-F351 HydrophobicContact CG-CB 4.06Å; E346-R354 IonicContact OE1-CZ 2.83Å; E346-R354 IonicContact OE1-NE 2.75Å; E346-R354 PolarHBondContact OE1-NE 2.98Å; E346-R354 IonicContact OE1-NH2 2.85Å; E346-R354 IonicContact OE2-CZ 3.94Å; E346-R354 IonicContact OE2-NE 3.07Å; E346-R354 IonicContact OE2-NH2 3.86Å; E346-R354 PolarHBondContact OE2-NH2 2.91Å
347T88.6Confident89.2Confident71 Ų7153 Ų5344%0.43629%0.285SS..  trans-81.9159.3172.867.30000110.4E349 E350 F351T347-E349 VanDerWaalsContact C-N 3.27Å; T347-E349 PolarHBondContact O-N 3.12Å; T347-E350 PolarHBondContact N-OE2 2.88Å; T347-E350 VanDerWaalsContact N-OE2 3.15Å; T347-E350 WeakPolarHBondContact O-CB 3.45Å; T347-E350 PolarHBondContact O-N 2.83Å; T347-E350 VanDerWaalsContact OG1-CG 3.3Å; T347-E350 WeakPolarHBondContact OG1-CG 3.32Å; T347-E350 PolarHBondContact OG1-N 2.96Å; T347-F351 WeakPolarHBondContact O-CB 3.49Å; T347-F351 PolarHBondContact O-N 2.85Å
348E86.4Confident88.5Confident51 Ų5148.8 Ų48.824%0.23826%0.264CS..Hα-helixtrans-52.6-45.4173.1-174.8173.6-166.300111.7Q215 F216 E350 F351 D352Q215-E348 VanDerWaalsContact C-OE1 3.28Å; Q215-E348 WeakPolarHBondContact CA-OE1 3.41Å; F216-E348 WeakPolarHBondContact CB-OE1 3.27Å; F216-E348 PolarHBondContact N-OE1 3.14Å; E348-E350 VanDerWaalsContact C-N 3.3Å; E348-E350 PolarHBondContact O-N 2.8Å; E348-F351 WeakPolarHBondContact O-CB 3.49Å; E348-F351 PolarHBondContact O-N 3.05Å; E348-D352 VanDerWaalsContact O-CG 3.26Å; E348-D352 PolarHBondContact O-N 3.02Å
349E87Confident87.3Confident137 Ų13754.7 Ų54.764%0.6429%0.29SS*.Hα-helixtrans-63.4-29.3176-63.8-176.3-176.200114.8T347 K353T347-E349 VanDerWaalsContact C-N 3.27Å; T347-E349 PolarHBondContact O-N 3.12Å; E349-K353 VanDerWaalsContact O-CD 3.29Å; E349-K353 WeakPolarHBondContact O-CD 3.49Å; E349-K353 VanDerWaalsContact O-CG 3.25Å; E349-K353 WeakPolarHBondContact O-CG 3.22Å
350E88.5Confident85.8Confident104 Ų10461.8 Ų61.849%0.48632%0.323SS..Hα-helixtrans-76.7-40.8176.1-74.5172.9164.700110.4E346 T347 E348 R354E346-E350 WeakPolarHBondContact CA-OE2 3.49Å; E346-E350 HydrophobicContact CG-CB 3.74Å; T347-E350 PolarHBondContact N-OE2 2.88Å; T347-E350 VanDerWaalsContact N-OE2 3.15Å; T347-E350 WeakPolarHBondContact O-CB 3.45Å; T347-E350 PolarHBondContact O-N 2.83Å; T347-E350 VanDerWaalsContact OG1-CG 3.3Å; T347-E350 WeakPolarHBondContact OG1-CG 3.32Å; T347-E350 PolarHBondContact OG1-N 2.96Å; E348-E350 VanDerWaalsContact C-N 3.3Å; E348-E350 PolarHBondContact O-N 2.8Å; E350-R354 PolarHBondContact O-N 2.9Å; E350-R354 VanDerWaalsContact O-N 3.16Å
351F89.2Confident84.4Confident9 Ų964.4 Ų64.44%0.03934%0.34CS..Hα-helixtrans-62.9-50175.6173.2-91.2000111.9E225 V227 E346 T347 E348 K353 R354 I355E225-F351 HydrophobicContact CB-CE2 4.49Å; E225-F351 HydrophobicContact CB-CZ 3.81Å; E225-F351 WeakPolarHBondContact O-CZ 3.35Å; V227-F351 HydrophobicContact CB-CB 4.43Å; V227-F351 HydrophobicContact CB-CD1 4.27Å; V227-F351 HydrophobicContact CB-CD2 4.13Å; V227-F351 HydrophobicContact CB-CE2 4.49Å; V227-F351 HydrophobicContact CB-CG 4.02Å; V227-F351 HydrophobicContact CG2-CB 3.54Å; V227-F351 HydrophobicContact CG2-CD1 4.24Å; V227-F351 HydrophobicContact CG2-CD2 3.92Å; V227-F351 HydrophobicContact CG2-CG 3.64Å; E346-F351 HydrophobicContact CG-CB 4.06Å; T347-F351 WeakPolarHBondContact O-CB 3.49Å; T347-F351 PolarHBondContact O-N 2.85Å; E348-F351 WeakPolarHBondContact O-CB 3.49Å; E348-F351 PolarHBondContact O-N 3.05Å; F351-K353 VanDerWaalsContact C-N 3.31Å; F351-K353 PolarHBondContact O-N 3.44Å; F351-R354 WeakPolarHBondContact O-CA 3.3Å; F351-R354 WeakPolarHBondContact O-CB 3.41Å; F351-R354 PolarHBondContact O-N 3.2Å; F351-I355 HydrophobicContact CD1-CG1 4.22Å; F351-I355 HydrophobicContact CD2-CG1 4.45Å; F351-I355 HydrophobicContact CE1-CG1 3.74Å; F351-I355 HydrophobicContact CE2-CD1 4.13Å; F351-I355 HydrophobicContact CE2-CG1 4Å; F351-I355 HydrophobicContact CZ-CD1 4.02Å; F351-I355 HydrophobicContact CZ-CG1 3.62Å; F351-I355 PolarHBondContact O-N 2.93Å
352D87Confident82.7Confident59 Ų5971 Ų7132%0.31638%0.375SS..Hα-helixtrans-57.6-45.2179.4-69.2-18000110.9E348 R354 I355 E356E348-D352 VanDerWaalsContact O-CG 3.26Å; E348-D352 PolarHBondContact O-N 3.02Å; D352-R354 PolarHBondContact O-N 3.48Å; D352-I355 PolarHBondContact O-N 2.81Å; D352-E356 WeakPolarHBondContact O-CB 3.09Å; D352-E356 VanDerWaalsContact O-CG 3.27Å; D352-E356 WeakPolarHBondContact O-CG 3.15Å; D352-E356 PolarHBondContact O-N 3.18Å
353K88.2Confident80.8Confident124 Ų12477.6 Ų77.654%0.53941%0.411SS..Hα-helixtrans-60.7-33.6175.6-74.2170.5-168.9141.90112.9E349 F351 S357E349-K353 VanDerWaalsContact O-CD 3.29Å; E349-K353 WeakPolarHBondContact O-CD 3.49Å; E349-K353 VanDerWaalsContact O-CG 3.25Å; E349-K353 WeakPolarHBondContact O-CG 3.22Å; F351-K353 VanDerWaalsContact C-N 3.31Å; F351-K353 PolarHBondContact O-N 3.44Å; K353-S357 PolarHBondContact O-N 2.64Å
354R88.1Confident78.5Confident15 Ų1583.6 Ų83.66%0.05746%0.462CS..Hα-helixtrans-70.5-47.9176.9177.6169.560.987-8.3110.3D262 I341 E346 E350 F351 D352 S357 Y358D262-R354 IonicContact OD1-NH1 3.24Å; D262-R354 PolarHBondContact OD1-NH1 3.04Å; I341-R354 PolarHBondContact O-NH2 2.93Å; E346-R354 IonicContact OE1-CZ 2.83Å; E346-R354 IonicContact OE1-NE 2.75Å; E346-R354 PolarHBondContact OE1-NE 2.98Å; E346-R354 IonicContact OE1-NH2 2.85Å; E346-R354 IonicContact OE2-CZ 3.94Å; E346-R354 IonicContact OE2-NE 3.07Å; E346-R354 IonicContact OE2-NH2 3.86Å; E346-R354 PolarHBondContact OE2-NH2 2.91Å; E350-R354 PolarHBondContact O-N 2.9Å; E350-R354 VanDerWaalsContact O-N 3.16Å; F351-R354 WeakPolarHBondContact O-CA 3.3Å; F351-R354 WeakPolarHBondContact O-CB 3.41Å; F351-R354 PolarHBondContact O-N 3.2Å; D352-R354 PolarHBondContact O-N 3.48Å; R354-S357 WeakPolarHBondContact O-CB 3.3Å; R354-S357 PolarHBondContact O-N 3.29Å; R354-S357 PolarHBondContact O-OG 2.96Å; R354-Y358 HydrophobicContact CG-CE1 4Å; R354-Y358 PolarHBondContact NH1-OH 2.74Å; R354-Y358 VanDerWaalsContact NH1-OH 3.09Å; R354-Y358 WeakPolarHBondContact O-CD1 3.16Å; R354-Y358 VanDerWaalsContact O-CE1 3.25Å; R354-Y358 WeakPolarHBondContact O-CE1 3.31Å
355I85.4Confident77.9Confident47 Ų4784.5 Ų84.524%0.24146%0.463CS..Hα-helixtrans-65.4-43179.1-60.8-56.5000111.7F351 D352 S357 Y358F351-I355 HydrophobicContact CD1-CG1 4.22Å; F351-I355 HydrophobicContact CD2-CG1 4.45Å; F351-I355 HydrophobicContact CE1-CG1 3.74Å; F351-I355 HydrophobicContact CE2-CD1 4.13Å; F351-I355 HydrophobicContact CE2-CG1 4Å; F351-I355 HydrophobicContact CZ-CD1 4.02Å; F351-I355 HydrophobicContact CZ-CG1 3.62Å; F351-I355 PolarHBondContact O-N 2.93Å; D352-I355 PolarHBondContact O-N 2.81Å; I355-S357 PolarHBondContact O-N 3.02Å; I355-S357 VanDerWaalsContact O-N 3.15Å; I355-Y358 HydrophobicContact CD1-CD2 4.44Å; I355-Y358 HydrophobicContact CD1-CE2 3.99Å; I355-Y358 VanDerWaalsContact O-CB 3.29Å; I355-Y358 WeakPolarHBondContact O-CB 3.25Å; I355-Y358 PolarHBondContact O-N 3.07Å
356E84Confident77.4Confident124 Ų12485 Ų8558%0.57945%0.447SS*.Hα-helixtrans-56.4-32175.2-75.7177.217200112.3D352 Y358 E359 E360D352-E356 WeakPolarHBondContact O-CB 3.09Å; D352-E356 VanDerWaalsContact O-CG 3.27Å; D352-E356 WeakPolarHBondContact O-CG 3.15Å; D352-E356 PolarHBondContact O-N 3.18Å; E356-Y358 PolarHBondContact O-N 2.95Å; E356-E359 PolarHBondContact O-N 2.98Å; E356-E360 PolarHBondContact O-N 2.74Å
357S80.4Confident76.7Confident35 Ų3588.1 Ų88.125%0.24546%0.464CS..Hα-helixtrans-67-19.8176.980.50000113.6K353 R354 I355 V361K353-S357 PolarHBondContact O-N 2.64Å; R354-S357 WeakPolarHBondContact O-CB 3.3Å; R354-S357 PolarHBondContact O-N 3.29Å; R354-S357 PolarHBondContact O-OG 2.96Å; I355-S357 PolarHBondContact O-N 3.02Å; I355-S357 VanDerWaalsContact O-N 3.15Å; S357-V361 WeakPolarHBondContact O-CG2 3.35Å; S357-V361 PolarHBondContact O-N 3.06Å
358Y77.9Confident76Confident38 Ų3889.1 Ų89.115%0.14947%0.466CS..Hα-helixtrans-74.2-42.4179.1-62.78.7000109.3D262 M263 R354 I355 E356 E360 V361 D362D262-Y358 WeakPolarHBondContact CA-OH 3.15Å; D262-Y358 PolarHBondContact OD1-OH 2.97Å; M263-Y358 HydrophobicContact CB-CE1 4.22Å; M263-Y358 HydrophobicContact CG-CD1 3.4Å; M263-Y358 HydrophobicContact CG-CE1 3.21Å; M263-Y358 HydrophobicContact CG-CG 4.28Å; M263-Y358 VanDerWaalsContact N-CZ 3.34Å; M263-Y358 PolarHBondContact N-OH 3.47Å; M263-Y358 WeakPolarHBondContact O-CE1 3.32Å; M263-Y358 PolarHBondContact O-OH 3.37Å; M263-Y358 HydrophobicContact SD-CD1 4.13Å; M263-Y358 HydrophobicContact SD-CE1 4.48Å; R354-Y358 HydrophobicContact CG-CE1 4Å; R354-Y358 PolarHBondContact NH1-OH 2.74Å; R354-Y358 VanDerWaalsContact NH1-OH 3.09Å; R354-Y358 WeakPolarHBondContact O-CD1 3.16Å; R354-Y358 VanDerWaalsContact O-CE1 3.25Å; R354-Y358 WeakPolarHBondContact O-CE1 3.31Å; I355-Y358 HydrophobicContact CD1-CD2 4.44Å; I355-Y358 HydrophobicContact CD1-CE2 3.99Å; I355-Y358 VanDerWaalsContact O-CB 3.29Å; I355-Y358 WeakPolarHBondContact O-CB 3.25Å; I355-Y358 PolarHBondContact O-N 3.07Å; E356-Y358 PolarHBondContact O-N 2.95Å; Y358-E360 VanDerWaalsContact C-N 3.29Å; Y358-E360 PolarHBondContact O-N 3.32Å; Y358-V361 PolarHBondContact O-N 3.05Å; Y358-V361 VanDerWaalsContact O-N 3.15Å; Y358-D362 PolarHBondContact O-N 3.44Å
359E67.8Low75.4Confident133 Ų13391.4 Ų91.462%0.62148%0.48SS*.Hα-helixtrans-63.1-35.2176.3-62-167.1161.900112.3E356 V361 N363E356-E359 PolarHBondContact O-N 2.98Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-N363 VanDerWaalsContact O-CB 3.31Å; E359-N363 WeakPolarHBondContact O-CB 3.36Å; E359-N363 PolarHBondContact O-N 2.74Å; E359-N363 VanDerWaalsContact O-N 3.15Å; E359-N363 PolarHBondContact O-ND2 3.12Å
360E62.3Low74.6Confident150 Ų15088.4 Ų88.470%0.70147%0.469SS*.Hα-helixtrans-66.6-34.4176.2-69.3-166.6161.800112.3E356 Y358 A364E356-E360 PolarHBondContact O-N 2.74Å; Y358-E360 VanDerWaalsContact C-N 3.29Å; Y358-E360 PolarHBondContact O-N 3.32Å; E360-A364 VanDerWaalsContact O-CB 3.29Å; E360-A364 WeakPolarHBondContact O-CB 3.06Å; E360-A364 PolarHBondContact O-N 3.3Å
361V62.6Low73.6Confident67 Ų6787.3 Ų87.341%0.40647%0.468SS..Hα-helixtrans-76.1-41179.1175.40000111.2M263 S357 Y358 E359 N363 A364M263-V361 HydrophobicContact CE-CG2 4.01Å; M263-V361 HydrophobicContact SD-CG2 4.1Å; S357-V361 WeakPolarHBondContact O-CG2 3.35Å; S357-V361 PolarHBondContact O-N 3.06Å; Y358-V361 PolarHBondContact O-N 3.05Å; Y358-V361 VanDerWaalsContact O-N 3.15Å; E359-V361 VanDerWaalsContact C-N 3.32Å; V361-N363 PolarHBondContact O-N 3.18Å; V361-A364 PolarHBondContact O-N 2.97Å
362D59.3Low72.4Confident141 Ų14193.3 Ų93.375%0.75450%0.501SS*.Hα-helixtrans-69.1-23.5177.9-81.4-15.1000113.1Y358Y358-D362 PolarHBondContact O-N 3.44Å
363N53.2Low71.2Confident141 Ų14196.2 Ų96.275%0.75452%0.516SS*.THydrogen-bonded Turntrans-95.80177-70.9-57.7000114.5E359 V361E359-N363 VanDerWaalsContact O-CB 3.31Å; E359-N363 WeakPolarHBondContact O-CB 3.36Å; E359-N363 PolarHBondContact O-N 2.74Å; E359-N363 VanDerWaalsContact O-N 3.15Å; E359-N363 PolarHBondContact O-ND2 3.12Å; V361-N363 PolarHBondContact O-N 3.18Å
364A45.6Very low69.7Low139 Ų13993.6 Ų93.6100%1.14951%0.514SS*.  trans-100.30178.800000112.6E360 V361E360-A364 VanDerWaalsContact O-CB 3.29Å; E360-A364 WeakPolarHBondContact O-CB 3.06Å; E360-A364 PolarHBondContact O-N 3.3Å; V361-A364 PolarHBondContact O-N 2.97Å

Retrieved 364 of 364 residues in 777 ms (Link to these results)

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