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Mitogen-activated protein kinase 13

Serine/threonine kinase which acts as an essential component of the MAP kinase signal transduction pathway. MAPK13 is one of the four p38 MAPKs which play an important role in the cascades of cellular responses evoked by extracellular stimuli such as pro-inflammatory cytokines or physical stress leading to direct activation of transcription factors such as ELK1 and ATF2. Accordingly, p38 MAPKs phosphorylate a broad range of proteins and it has been estimated that they may have approximately 200 to 300 substrates each. MAPK13 is one of the less studied p38 MAPK isoforms. Some of the targets are downstream kinases such as MAPKAPK2, which are activated through phosphorylation and further phosphorylate additional targets. Plays a role in the regulation of protein translation by phosphorylating and inactivating EEF2K. Involved in cytoskeletal remodeling through phosphorylation of MAPT and STMN1. Mediates UV irradiation induced up-regulation of the gene expression of CXCL14. Plays an important role in the regulation of epidermal keratinocyte differentiation, apoptosis and skin tumor development. Phosphorylates the transcriptional activator MYB in response to stress which leads to rapid MYB degradation via a proteasome-dependent pathway. MAPK13 also phosphorylates and down-regulates PRKD1 during regulation of insulin secretion in pancreatic beta cells.

AlphaFold DB , UniProt , Accession O15264, Species HUMAN (Homo sapiens, Human), Gene MAPK13, Length 365 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
1M38.9Very low67.7Low228 Ų228114.9 Ų114.9100%1.12356%0.561SS**  0118.50-71.2-174.1-145.500108.3L3M1-L3 PolarHBondContact O-N 3.31Å
2S46.5Very low70Confident73 Ų73112.1 Ų112.151%0.5155%0.546SS..  trans-62.9116.4178.4165.20000110.5I4 R5S2-I4 PolarHBondContact O-N 2.64Å; S2-I4 VanDerWaalsContact O-N 3.1Å; S2-I4 WeakPolarHBondContact OG-CB 3.31Å; S2-I4 PolarHBondContact OG-N 3.5Å; S2-R5 PolarHBondContact O-N 2.63Å
3L48.6Very low72Confident130 Ų130112.8 Ų112.868%0.68155%0.554SS**Hα-helixtrans-57.8-20.6176.9-94.4107.1000113.1M1 R5 K7M1-L3 PolarHBondContact O-N 3.31Å; L3-R5 VanDerWaalsContact C-N 3.25Å; L3-R5 PolarHBondContact O-N 3.27Å; L3-K7 PolarHBondContact O-N 3.06Å
4I54.1Low73.6Confident140 Ų140105.6 Ų105.672%0.71852%0.519SS*.Hα-helixtrans-60-38.1-178.5-54.5178.7000110.4S2 K7 G8S2-I4 PolarHBondContact O-N 2.64Å; S2-I4 VanDerWaalsContact O-N 3.1Å; S2-I4 WeakPolarHBondContact OG-CB 3.31Å; S2-I4 PolarHBondContact OG-N 3.5Å; I4-K7 PolarHBondContact O-N 3.37Å; I4-G8 PolarHBondContact O-N 3.38Å; I4-G8 VanDerWaalsContact O-N 3.12Å
5R51.4Low74.9Confident72 Ų72104.3 Ų104.327%0.27252%0.516SS..Hα-helixtrans-70.8-44.4-176.4-172.7178.1168.3165.29.8113.7S2 L3 K7 G8 F9 E20 P93 N99S2-R5 PolarHBondContact O-N 2.63Å; L3-R5 VanDerWaalsContact C-N 3.25Å; L3-R5 PolarHBondContact O-N 3.27Å; R5-K7 PolarHBondContact O-N 2.91Å; R5-G8 PolarHBondContact O-N 3.27Å; R5-F9 PolarHBondContact O-N 3.12Å; R5-E20 IonicContact NE-OE1 2.68Å; R5-E20 IonicContact NH2-OE1 3.42Å; R5-P93 VanDerWaalsContact CD-O 3.28Å; R5-P93 WeakPolarHBondContact CD-O 3.44Å; R5-P93 PolarHBondContact NE-O 2.52Å; R5-P93 PolarHBondContact NH1-O 3.26Å; R5-P93 PolarHBondContact NH2-O 3.4Å; R5-P93 VanDerWaalsContact NH2-O 3.1Å; R5-N99 PolarHBondContact NH1-ND2 2.94Å
6K56.1Low76Confident182 Ų182110.8 Ų110.879%0.79154%0.54SS*.Hα-helixtrans-64.9-24174.6-90.7-171.8176.4-177.40112.2
7K70Confident76.9Confident148 Ų148106.6 Ų106.664%0.64352%0.523SS*.Hα-helixtrans-84.1-29.3179.2-74.6-171.7176-174.70113.3L3 I4 R5 K23L3-K7 PolarHBondContact O-N 3.06Å; I4-K7 PolarHBondContact O-N 3.37Å; R5-K7 PolarHBondContact O-N 2.91Å; K7-K23 WeakPolarHBondContact O-CD 3.3Å; K7-K23 WeakPolarHBondContact O-CE 3.38Å; K7-K23 PolarHBondContact O-NZ 3.06Å
8G91.4Very high77.9Confident32 Ų32104.1 Ų104.133%0.3352%0.521SS..Hα-helixtrans-90.5-27.8-173.900000116.8I4 R5 P22 K23I4-G8 PolarHBondContact O-N 3.38Å; I4-G8 VanDerWaalsContact O-N 3.12Å; R5-G8 PolarHBondContact O-N 3.27Å; G8-P22 WeakPolarHBondContact O-CA 3.29Å; G8-K23 WeakPolarHBondContact O-CG 3.34Å; G8-K23 PolarHBondContact O-N 3.32Å
9F96Very high78.9Confident44 Ų4498.8 Ų98.819%0.19350%0.495CS..EExtended strand (participates in β ladder)trans-114.4157.8-174.2-71.8-105.9000112.6R5 E20 L21 P22 F91 P93R5-F9 PolarHBondContact O-N 3.12Å; F9-E20 HydrophobicContact CB-CG 4.03Å; F9-E20 HydrophobicContact CD1-CG 4.14Å; F9-E20 HydrophobicContact CG-CG 4.44Å; F9-L21 CarbonylContact C-O 3.53Å; F9-L21 WeakPolarHBondContact CA-O 3.5Å; F9-P22 HydrophobicContact CD1-CG 4.27Å; F9-P22 HydrophobicContact CE1-CG 3.71Å; F9-P22 HydrophobicContact CZ-CG 3.98Å; F9-F91 AromaticContact CE1-CD2 3.77Å; F9-F91 HydrophobicContact CE1-CD2 3.77Å; F9-F91 HydrophobicContact CE1-CE2 4.18Å; F9-F91 HydrophobicContact CZ-CD2 4.31Å; F9-P93 HydrophobicContact CD1-CB 4.17Å; F9-P93 HydrophobicContact CE1-CB 4.18Å
10Y96Very high79.7Confident55 Ų5595.6 Ų95.622%0.21648%0.478CS..EExtended strand (participates in β ladder)trans-131.8157.8167.773.8-77.5000110.2Q12 E20 L21 K23 Y25 P28Y10-Q12 HydrophobicContact CD2-CB 4.38Å; Y10-Q12 HydrophobicContact CE2-CB 4.06Å; Y10-E20 CarbonylContact O-C 3.5Å; Y10-E20 WeakPolarHBondContact O-CA 3.31Å; Y10-L21 HydrophobicContact CD1-CB 4.4Å; Y10-L21 WeakPolarHBondContact CD1-O 3.11Å; Y10-L21 HydrophobicContact CE1-CB 3.78Å; Y10-L21 PolarHBondContact N-O 2.92Å; Y10-L21 PolarHBondContact O-N 3.1Å; Y10-K23 HydrophobicContact CD1-CG 4.27Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.3Å; Y10-Y25 PolarHBondContact OH-O 3.48Å; Y10-P28 WeakPolarHBondContact OH-CD 3.5Å
11K95.6Very high80.6Confident160 Ų16091.1 Ų91.170%0.69646%0.455SS*.EExtended strand (participates in β ladder)trans-108.3139.8177.7-68.3-173.8175-168.10110.7W19 E20K11-W19 VanDerWaalsContact CA-O 3.27Å; K11-W19 WeakPolarHBondContact CA-O 3.39Å; K11-E20 WeakPolarHBondContact CE-OE2 3.14Å; K11-E20 HydrophobicContact CG-CB 4.22Å; K11-E20 HydrophobicContact CG-CG 4Å; K11-E20 IonicContact NZ-OE2 3.6Å
12Q95.5Very high83.3Confident81 Ų8181.2 Ų81.238%0.37941%0.408SS..EExtended strand (participates in β ladder)trans-151.5137.7173.6-177175.6-23.900109.8Y10 V14 W19Y10-Q12 HydrophobicContact CD2-CB 4.38Å; Y10-Q12 HydrophobicContact CE2-CB 4.06Å; Q12-V14 HydrophobicContact CG-CG2 4.23Å; Q12-W19 PolarHBondContact N-O 2.98Å; Q12-W19 WeakPolarHBondContact O-CB 3.33Å; Q12-W19 PolarHBondContact O-N 2.8Å
13D95.8Very high85.7Confident122 Ų12282.8 Ų82.865%0.65241%0.406SS*.EExtended strand (participates in β ladder)trans-80.8127.6169.6-71.2-59.4000110.2T17 A18D13-T17 WeakPolarHBondContact CA-O 3.13Å; D13-A18 WeakPolarHBondContact OD1-CA 3.42Å
14V95.1Very high87.9Confident11 Ų1178 Ų787%0.06738%0.382CS..EExtended strand (participates in β ladder)trans-131.4117.4176.7-177.50000107.6Q12 K16 T17 W19 P28 H30 C40Q12-V14 HydrophobicContact CG-CG2 4.23Å; V14-K16 PolarHBondContact O-N 3.43Å; V14-T17 PolarHBondContact N-O 2.72Å; V14-T17 WeakPolarHBondContact O-CB 3.46Å; V14-T17 PolarHBondContact O-N 3.23Å; V14-T17 VanDerWaalsContact O-N 3.11Å; V14-W19 HydrophobicContact CB-CG 4.46Å; V14-W19 HydrophobicContact CG2-CG 4.43Å; V14-P28 HydrophobicContact CG2-CB 4.08Å; V14-P28 HydrophobicContact CG2-CG 4.01Å; V14-H30 HydrophobicContact CG1-CB 3.96Å; V14-C40 HydrophobicContact CG1-CB 4.43Å
15N93.3Very high90Very high87 Ų8771.4 Ų71.447%0.46535%0.348SS..THydrogen-bonded Turntrans47.355.9-175.4-168.133.4000113.4T17 H30N15-T17 PolarHBondContact O-N 3.3Å; N15-H30 HydrophobicContact CB-CB 3.97Å; N15-H30 PolarHBondContact ND2-CD2 3.48Å; N15-H30 PolarHBondContact ND2-CE1 3.02Å; N15-H30 PolarHBondContact ND2-NE2 3.37Å; N15-H30 VanDerWaalsContact ND2-NE2 3.15Å
16K91.3Very high92.2Very high208 Ų20869.5 Ų69.590%0.90435%0.345SS*.THydrogen-bonded Turntrans60.412.4179.1-51.1176.7-178.6177.20115.2V14V14-K16 PolarHBondContact O-N 3.43Å
17T91.5Very high94.2Very high40 Ų4064.7 Ų64.725%0.24533%0.334CS..EExtended strand (participates in β ladder)trans-111.6132.3174.1-570000108.5D13 V14 N15 K55D13-T17 WeakPolarHBondContact CA-O 3.13Å; V14-T17 PolarHBondContact N-O 2.72Å; V14-T17 WeakPolarHBondContact O-CB 3.46Å; V14-T17 PolarHBondContact O-N 3.23Å; V14-T17 VanDerWaalsContact O-N 3.11Å; N15-T17 PolarHBondContact O-N 3.3Å; T17-K55 HydrophobicContact CG2-CD 3.88Å
18A94.6Very high95.5Very high60 Ų6058 Ų5850%0.49631%0.306SS..EExtended strand (participates in β ladder)trans-76.9123.9172.900000110.5D13 K55D13-A18 WeakPolarHBondContact OD1-CA 3.42Å; A18-K55 PolarHBondContact O-NZ 3.49Å
19W96.7Very high95.8Very high5 Ų560.5 Ų60.52%0.01931%0.314CS..EExtended strand (participates in β ladder)trans-109.6138.7175.1-65.370.4000110.2K11 Q12 V14 L21 S38 C40 I53 K55 Y104K11-W19 VanDerWaalsContact CA-O 3.27Å; K11-W19 WeakPolarHBondContact CA-O 3.39Å; Q12-W19 PolarHBondContact N-O 2.98Å; Q12-W19 WeakPolarHBondContact O-CB 3.33Å; Q12-W19 PolarHBondContact O-N 2.8Å; V14-W19 HydrophobicContact CB-CG 4.46Å; V14-W19 HydrophobicContact CG2-CG 4.43Å; W19-L21 HydrophobicContact CB-CD1 4.4Å; W19-L21 HydrophobicContact CB-CG 4.22Å; W19-L21 HydrophobicContact CE3-CD1 4.46Å; W19-L21 HydrophobicContact CE3-CD2 3.99Å; W19-S38 WeakPolarHBondContact CH2-O 3.29Å; W19-C40 HydrophobicContact CH2-CB 4.09Å; W19-C40 HydrophobicContact CZ2-CB 4.28Å; W19-C40 HydrophobicContact CZ3-CB 4.4Å; W19-C40 WeakPolarHBondContact CZ3-SG 3.45Å; W19-I53 VanDerWaalsContact CH2-O 3.27Å; W19-I53 WeakPolarHBondContact CH2-O 3.33Å; W19-I53 HydrophobicContact CZ3-CB 4.2Å; W19-I53 HydrophobicContact CZ3-CG2 3.95Å; W19-I53 WeakPolarHBondContact CZ3-O 3.39Å; W19-K55 HydrophobicContact CD2-CB 4.33Å; W19-K55 HydrophobicContact CD2-CD 4.44Å; W19-K55 HydrophobicContact CE3-CB 4.05Å; W19-K55 HydrophobicContact CH2-CB 3.55Å; W19-K55 HydrophobicContact CZ2-CB 3.87Å; W19-K55 HydrophobicContact CZ3-CB 3.65Å; W19-Y104 HydrophobicContact CD2-CE1 4.09Å; W19-Y104 AromaticContact CE3-CD1 3.79Å; W19-Y104 HydrophobicContact CE3-CD1 3.79Å; W19-Y104 AromaticContact CE3-CE1 3.44Å; W19-Y104 HydrophobicContact CE3-CE1 3.44Å; W19-Y104 VanDerWaalsContact CE3-CE1 3.44Å; W19-Y104 AromaticContact CZ3-CD1 3.87Å; W19-Y104 HydrophobicContact CZ3-CD1 3.87Å; W19-Y104 AromaticContact CZ3-CE1 3.94Å; W19-Y104 HydrophobicContact CZ3-CE1 3.94Å
20E96.3Very high95.8Very high34 Ų3461.9 Ų61.916%0.15932%0.322CS..EExtended strand (participates in β ladder)trans-121.8102.3172.1-170.7172.7160.200108.3R5 F9 Y10 K11 P93 Y104R5-E20 IonicContact NE-OE1 2.68Å; R5-E20 IonicContact NH2-OE1 3.42Å; F9-E20 HydrophobicContact CB-CG 4.03Å; F9-E20 HydrophobicContact CD1-CG 4.14Å; F9-E20 HydrophobicContact CG-CG 4.44Å; Y10-E20 CarbonylContact O-C 3.5Å; Y10-E20 WeakPolarHBondContact O-CA 3.31Å; K11-E20 WeakPolarHBondContact CE-OE2 3.14Å; K11-E20 HydrophobicContact CG-CB 4.22Å; K11-E20 HydrophobicContact CG-CG 4Å; K11-E20 IonicContact NZ-OE2 3.6Å; E20-P93 HydrophobicContact CB-CB 4.2Å; E20-P93 HydrophobicContact CB-CG 4.25Å; E20-P93 HydrophobicContact CG-CB 3.75Å; E20-P93 HydrophobicContact CG-CG 4.34Å; E20-P93 VanDerWaalsContact OE1-CB 3.31Å; E20-P93 WeakPolarHBondContact OE1-CB 3.34Å; E20-Y104 PolarHBondContact N-OH 2.82Å; E20-Y104 VanDerWaalsContact N-OH 3.08Å
21L97.1Very high95.6Very high1 Ų162.3 Ų62.31%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-115.9147.5-168.4-59.6175.1000112.6F9 Y10 W19 P28 I53 F91 Y104F9-L21 CarbonylContact C-O 3.53Å; F9-L21 WeakPolarHBondContact CA-O 3.5Å; Y10-L21 HydrophobicContact CD1-CB 4.4Å; Y10-L21 WeakPolarHBondContact CD1-O 3.11Å; Y10-L21 HydrophobicContact CE1-CB 3.78Å; Y10-L21 PolarHBondContact N-O 2.92Å; Y10-L21 PolarHBondContact O-N 3.1Å; W19-L21 HydrophobicContact CB-CD1 4.4Å; W19-L21 HydrophobicContact CB-CG 4.22Å; W19-L21 HydrophobicContact CE3-CD1 4.46Å; W19-L21 HydrophobicContact CE3-CD2 3.99Å; L21-P28 HydrophobicContact CD1-CB 3.96Å; L21-P28 HydrophobicContact CD1-CG 4.23Å; L21-I53 HydrophobicContact CD1-CD1 4.47Å; L21-I53 HydrophobicContact CD2-CD1 4.31Å; L21-I53 HydrophobicContact CD2-CG2 4.21Å; L21-F91 HydrophobicContact CD2-CE2 3.93Å; L21-F91 HydrophobicContact CD2-CZ 3.57Å; L21-Y104 HydrophobicContact CD2-CD1 3.92Å; L21-Y104 HydrophobicContact CD2-CE1 4Å; L21-Y104 HydrophobicContact CD2-CG 4.45Å
22P96.7Very high95.3Very high21 Ų2155.9 Ų55.914%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-55.6140.4167-24.332.4000110.9G8 F9 T24 Y25 F91G8-P22 WeakPolarHBondContact O-CA 3.29Å; F9-P22 HydrophobicContact CD1-CG 4.27Å; F9-P22 HydrophobicContact CE1-CG 3.71Å; F9-P22 HydrophobicContact CZ-CG 3.98Å; P22-T24 HydrophobicContact CB-CG2 4.22Å; P22-T24 PolarHBondContact O-N 3.02Å; P22-Y25 HydrophobicContact CB-CD2 4.16Å; P22-Y25 HydrophobicContact CG-CD2 4.13Å; P22-Y25 HydrophobicContact CG-CE2 4.34Å; P22-Y25 PolarHBondContact O-N 2.91Å; P22-F91 HydrophobicContact CG-CD1 3.95Å; P22-F91 HydrophobicContact CG-CD2 3.92Å; P22-F91 HydrophobicContact CG-CE1 4.02Å; P22-F91 HydrophobicContact CG-CE2 4Å; P22-F91 HydrophobicContact CG-CG 3.9Å; P22-F91 HydrophobicContact CG-CZ 4.06Å
23K96.4Very high94.9Very high106 Ų10655.5 Ų55.546%0.46132%0.315SS..THydrogen-bonded Turntrans-59.9-13.5-178.8-74.8179.8179.1172.80115.2K7 G8 Y10K7-K23 WeakPolarHBondContact O-CD 3.3Å; K7-K23 WeakPolarHBondContact O-CE 3.38Å; K7-K23 PolarHBondContact O-NZ 3.06Å; G8-K23 WeakPolarHBondContact O-CG 3.34Å; G8-K23 PolarHBondContact O-N 3.32Å; Y10-K23 HydrophobicContact CD1-CG 4.27Å
24T95.9Very high94.1Very high29 Ų2952.1 Ų52.118%0.17831%0.309CS..THydrogen-bonded Turntrans-69.7-32.6173.4-161.50000112.3P22 D44 K45 R46P22-T24 HydrophobicContact CB-CG2 4.22Å; P22-T24 PolarHBondContact O-N 3.02Å; T24-D44 PolarHBondContact OG1-OD1 3.26Å; T24-K45 VanDerWaalsContact O-CB 3.32Å; T24-K45 WeakPolarHBondContact O-CB 3.49Å; T24-K45 VanDerWaalsContact O-CG 3.31Å; T24-K45 WeakPolarHBondContact O-CG 3.22Å; T24-K45 PolarHBondContact O-N 3.49Å; T24-R46 WeakPolarHBondContact OG1-CG 3.45Å
25Y97.8Very high93.2Very high1 Ų155.1 Ų55.10%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-91.4115.4179.7-62.6-60.9000110.1Y10 P22 I43 D44 R46 V51 I53 D89 F91 V106Y10-Y25 WeakPolarHBondContact CE1-O 3.3Å; Y10-Y25 PolarHBondContact OH-O 3.48Å; P22-Y25 HydrophobicContact CB-CD2 4.16Å; P22-Y25 HydrophobicContact CG-CD2 4.13Å; P22-Y25 HydrophobicContact CG-CE2 4.34Å; P22-Y25 PolarHBondContact O-N 2.91Å; Y25-I43 WeakPolarHBondContact CA-O 3.23Å; Y25-D44 HydrophobicContact CD1-CB 3.99Å; Y25-D44 HydrophobicContact CE1-CB 3.75Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.45Å; Y25-R46 PolarHBondContact OH-NH2 3.17Å; Y25-V51 HydrophobicContact CD1-CG2 3.81Å; Y25-V51 HydrophobicContact CE1-CG2 3.81Å; Y25-I53 HydrophobicContact CD1-CD1 4.07Å; Y25-I53 HydrophobicContact CD2-CD1 4.06Å; Y25-I53 HydrophobicContact CG-CD1 3.7Å; Y25-D89 VanDerWaalsContact OH-CB 3.32Å; Y25-D89 WeakPolarHBondContact OH-CB 3.39Å; Y25-D89 PolarHBondContact OH-OD2 3.41Å; Y25-D89 VanDerWaalsContact OH-OD2 3.1Å; Y25-F91 HydrophobicContact CD2-CE1 4.06Å; Y25-F91 HydrophobicContact CD2-CZ 4.49Å; Y25-F91 HydrophobicContact CE2-CD1 4.3Å; Y25-F91 AromaticContact CE2-CE1 3.78Å; Y25-F91 HydrophobicContact CE2-CE1 3.78Å; Y25-V106 HydrophobicContact CE1-CG1 4.02Å; Y25-V106 HydrophobicContact CE2-CG2 3.94Å
26V97.7Very high92.6Very high33 Ų3353.5 Ų53.520%0.232%0.323CS..EExtended strand (participates in β ladder)trans-123.6166.7-176.3-65.50000113.2A42 I43 K45V26-A42 WeakPolarHBondContact O-CA 2.7Å; V26-I43 HydrophobicContact CG2-CB 4.1Å; V26-I43 PolarHBondContact N-O 3.4Å; V26-I43 PolarHBondContact O-N 2.95Å; V26-K45 HydrophobicContact CG1-CD 3.86Å; V26-K45 HydrophobicContact CG1-CG 4.32Å; V26-K45 VanDerWaalsContact CG1-NZ 3.28Å; V26-K45 HydrophobicContact CG2-CD 4.34Å; V26-K45 HydrophobicContact CG2-CG 3.94Å
27S97Very high92.4Very high81 Ų8143.9 Ų43.957%0.56628%0.282SS*.EExtended strand (participates in β ladder)trans54.848.5-179.3-51.90000113.3T29S27-T29 PolarHBondContact O-N 3.21Å; S27-T29 PolarHBondContact O-OG1 2.74Å
28P97.5Very high92.6Very high8 Ų842.5 Ų42.55%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-63.6122-177.930-35.8000110.2Y10 V14 L21 S41Y10-P28 WeakPolarHBondContact OH-CD 3.5Å; V14-P28 HydrophobicContact CG2-CB 4.08Å; V14-P28 HydrophobicContact CG2-CG 4.01Å; L21-P28 HydrophobicContact CD1-CB 3.96Å; L21-P28 HydrophobicContact CD1-CG 4.23Å; P28-S41 CarbonylContact C-O 3.58Å; P28-S41 VanDerWaalsContact CA-O 3.22Å; P28-S41 WeakPolarHBondContact CA-O 3.35Å
29T97.2Very high92.6Very high83 Ų8341.3 Ų41.351%0.50926%0.261SS..EExtended strand (participates in β ladder)trans-124127.5-176.8-550000109.6S27 V31 C40 S41S27-T29 PolarHBondContact O-N 3.21Å; S27-T29 PolarHBondContact O-OG1 2.74Å; T29-V31 PolarHBondContact O-N 3.21Å; T29-C40 CarbonylContact O-C 3.56Å; T29-C40 WeakPolarHBondContact O-CA 3.38Å; T29-C40 VanDerWaalsContact O-CB 3.26Å; T29-C40 WeakPolarHBondContact O-CB 3.32Å; T29-S41 PolarHBondContact N-O 3.23Å; T29-S41 PolarHBondContact O-N 3.47Å
30H96.4Very high92.6Very high74 Ų7441.1 Ų41.134%0.34326%0.26SS..EExtended strand (participates in β ladder)trans-57137.5-179.7179.7-105.2000111.7V14 N15 G32 S33V14-H30 HydrophobicContact CG1-CB 3.96Å; N15-H30 HydrophobicContact CB-CB 3.97Å; N15-H30 PolarHBondContact ND2-CD2 3.48Å; N15-H30 PolarHBondContact ND2-CE1 3.02Å; N15-H30 PolarHBondContact ND2-NE2 3.37Å; N15-H30 VanDerWaalsContact ND2-NE2 3.15Å; H30-G32 PolarHBondContact NE2-O 3.21Å; H30-S33 PolarHBondContact NE2-OG 3.2Å; H30-S33 VanDerWaalsContact NE2-OG 3.12Å
31V92.8Very high92.7Very high64 Ų6439.8 Ų39.839%0.38825%0.254SS..EExtended strand (participates in β ladder)trans-117.9-45.6177.4174.20000110.8T29 V39 F109T29-V31 PolarHBondContact O-N 3.21Å; V31-V39 HydrophobicContact CB-CB 4.49Å; V31-V39 HydrophobicContact CB-CG1 4.28Å; V31-V39 PolarHBondContact N-O 3.24Å; V31-F109 HydrophobicContact CG2-CE2 4.06Å
32G88.6Confident92.7Very high25 Ų2539.8 Ų39.826%0.25826%0.255SS..EExtended strand (participates in β ladder)trans-173.1166.6-176.400000112.6H30 V39H30-G32 PolarHBondContact NE2-O 3.21Å; G32-V39 PolarHBondContact N-O 3.29Å; G32-V39 PolarHBondContact O-N 3.06Å
33S86.3Confident92.8Very high73 Ų7341.6 Ų41.651%0.5126%0.263SS..EExtended strand (participates in β ladder)trans-143140.8178.1-65.20000109.3H30 S38H30-S33 PolarHBondContact NE2-OG 3.2Å; H30-S33 VanDerWaalsContact NE2-OG 3.12Å; S33-S38 PolarHBondContact OG-OG 2.94Å
34G80.3Confident92.8Very high50 Ų5037.1 Ų37.152%0.51524%0.244SC..EExtended strand (participates in β ladder)trans-139.8-178.1175.600000111.2Y36 G37G34-Y36 PolarHBondContact O-N 3.39Å; G34-Y36 VanDerWaalsContact O-N 3.12Å; G34-G37 PolarHBondContact N-O 3.47Å; G34-G37 PolarHBondContact O-N 2.86Å; G34-G37 VanDerWaalsContact O-O 3.13Å
35A76.8Confident92.8Very high75 Ų7542.1 Ų42.162%0.6226%0.263SS*.THydrogen-bonded Turntrans-57.9-29.8-175.400000113.9
36Y80Confident92.5Very high53 Ų5349.3 Ų49.321%0.20829%0.29CS..THydrogen-bonded Turntrans-106.9-2.6-172-50.2-74.2000113.9G34 S57 F65 R68G34-Y36 PolarHBondContact O-N 3.39Å; G34-Y36 VanDerWaalsContact O-N 3.12Å; Y36-S57 PolarHBondContact O-N 3.28Å; Y36-F65 HydrophobicContact CD1-CD1 4.3Å; Y36-F65 AromaticContact CD1-CE1 3.72Å; Y36-F65 HydrophobicContact CD1-CE1 3.72Å; Y36-F65 HydrophobicContact CD1-CZ 4.07Å; Y36-F65 AromaticContact CE1-CE1 3.99Å; Y36-F65 HydrophobicContact CE1-CE1 3.99Å; Y36-F65 HydrophobicContact CE1-CE2 4.45Å; Y36-F65 AromaticContact CE1-CZ 3.84Å; Y36-F65 HydrophobicContact CE1-CZ 3.84Å; Y36-R68 VanDerWaalsContact CE1-NH1 3.33Å; Y36-R68 PolarHBondContact OH-NH1 2.96Å
37G87.8Confident92.2Very high5 Ų551.1 Ų51.15%0.05230%0.304CS..EExtended strand (participates in β ladder)trans173169.5-178.900000114.8G34 K55 S57G34-G37 PolarHBondContact N-O 3.47Å; G34-G37 PolarHBondContact O-N 2.86Å; G34-G37 VanDerWaalsContact O-O 3.13Å; G37-K55 CarbonylContact C-O 3.46Å; G37-K55 WeakPolarHBondContact CA-O 3.32Å; G37-S57 WeakPolarHBondContact CA-OG 3.31Å
38S93.9Very high92Very high12 Ų1249.7 Ų49.78%0.08430%0.303CS..EExtended strand (participates in β ladder)trans-115.9144.2170.6-730000109.4W19 S33 K54 K55W19-S38 WeakPolarHBondContact CH2-O 3.29Å; S33-S38 PolarHBondContact OG-OG 2.94Å; S38-K54 CarbonylContact O-C 3.5Å; S38-K54 WeakPolarHBondContact O-CA 3.28Å; S38-K55 PolarHBondContact N-O 3.01Å; S38-K55 PolarHBondContact O-N 2.77Å
39V95.8Very high91.8Very high35 Ų3553.4 Ų53.421%0.21232%0.319CS..EExtended strand (participates in β ladder)trans-116.8131.9-179.7-175.80000109.2V31 G32 A52 I53 K54V31-V39 HydrophobicContact CB-CB 4.49Å; V31-V39 HydrophobicContact CB-CG1 4.28Å; V31-V39 PolarHBondContact N-O 3.24Å; G32-V39 PolarHBondContact N-O 3.29Å; G32-V39 PolarHBondContact O-N 3.06Å; V39-A52 HydrophobicContact CG1-CB 4.13Å; V39-I53 WeakPolarHBondContact CA-O 3.36Å; V39-K54 HydrophobicContact CG2-CB 4.1Å; V39-K54 HydrophobicContact CG2-CD 4.46Å; V39-K54 HydrophobicContact CG2-CG 4.01Å
40C97.1Very high91.7Very high0 Ų054.2 Ų54.20%032%0.316CS..EExtended strand (participates in β ladder)trans-118.2155.1164.269.80000110.1V14 W19 T29 A52 I53V14-C40 HydrophobicContact CG1-CB 4.43Å; W19-C40 HydrophobicContact CH2-CB 4.09Å; W19-C40 HydrophobicContact CZ2-CB 4.28Å; W19-C40 HydrophobicContact CZ3-CB 4.4Å; W19-C40 WeakPolarHBondContact CZ3-SG 3.45Å; T29-C40 CarbonylContact O-C 3.56Å; T29-C40 WeakPolarHBondContact O-CA 3.38Å; T29-C40 VanDerWaalsContact O-CB 3.26Å; T29-C40 WeakPolarHBondContact O-CB 3.32Å; C40-A52 CarbonylContact O-C 3.53Å; C40-A52 WeakPolarHBondContact O-CA 3.44Å; C40-I53 PolarHBondContact N-O 3.23Å; C40-I53 PolarHBondContact O-N 3.44Å
41S97.4Very high91.8Very high6 Ų650.7 Ų50.74%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-89149162.265.10000109.3P28 T29 K50 V51P28-S41 CarbonylContact C-O 3.58Å; P28-S41 VanDerWaalsContact CA-O 3.22Å; P28-S41 WeakPolarHBondContact CA-O 3.35Å; T29-S41 PolarHBondContact N-O 3.23Å; T29-S41 PolarHBondContact O-N 3.47Å; S41-K50 VanDerWaalsContact CB-CE 3.44Å; S41-K50 WeakPolarHBondContact OG-CE 3.38Å; S41-V51 CarbonylContact C-O 3.55Å; S41-V51 WeakPolarHBondContact CA-O 3.39Å
42A98.2Very high92Very high2 Ų248.2 Ų48.22%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-144.8164173.400000109.6V26 K50 V51 I53V26-A42 WeakPolarHBondContact O-CA 2.7Å; A42-K50 CarbonylContact O-C 3.55Å; A42-K50 WeakPolarHBondContact O-CA 3.1Å; A42-V51 HydrophobicContact CB-CG2 4.23Å; A42-V51 PolarHBondContact N-O 3.1Å; A42-V51 PolarHBondContact O-N 3.07Å; A42-I53 HydrophobicContact CB-CD1 3.72Å; A42-I53 HydrophobicContact CB-CG1 4.31Å
43I98Very high92.4Very high59 Ų5947 Ų4730%0.30327%0.273SS..EExtended strand (participates in β ladder)trans-97.1125169.6-54.4-57.5000108.3Y25 V26 K45 K50Y25-I43 WeakPolarHBondContact CA-O 3.23Å; V26-I43 HydrophobicContact CG2-CB 4.1Å; V26-I43 PolarHBondContact N-O 3.4Å; V26-I43 PolarHBondContact O-N 2.95Å; I43-K45 PolarHBondContact O-N 3.01Å; I43-K50 HydrophobicContact CD1-CB 4.04Å; I43-K50 HydrophobicContact CD1-CG 4.1Å
44D96.6Very high92.9Very high11 Ų1144.5 Ų44.56%0.05925%0.253CS..EExtended strand (participates in β ladder)trans-80.5109.8169.4-169.1-15.7000109.6T24 Y25 R46 S47 G48 E49 V51T24-D44 PolarHBondContact OG1-OD1 3.26Å; Y25-D44 HydrophobicContact CD1-CB 3.99Å; Y25-D44 HydrophobicContact CE1-CB 3.75Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.45Å; D44-R46 PolarHBondContact O-N 3.43Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 WeakPolarHBondContact OD1-CB 3.36Å; D44-R46 IonicContact OD1-CZ 3.28Å; D44-R46 PolarHBondContact OD1-N 2.97Å; D44-R46 IonicContact OD1-NE 3.97Å; D44-R46 PolarHBondContact OD1-NE 3.26Å; D44-R46 IonicContact OD1-NH2 3.44Å; D44-R46 IonicContact OD2-CZ 3.76Å; D44-R46 IonicContact OD2-NE 3.87Å; D44-R46 PolarHBondContact OD2-NE 3.14Å; D44-R46 IonicContact OD2-NH2 2.76Å; D44-R46 PolarHBondContact OD2-NH2 3.04Å; D44-S47 PolarHBondContact O-N 3.02Å; D44-G48 WeakPolarHBondContact O-CA 3.48Å; D44-G48 PolarHBondContact O-N 3.44Å; D44-E49 PolarHBondContact N-O 3.19Å; D44-V51 HydrophobicContact CB-CG1 4.27Å
45K96Very high93.8Very high135 Ų13543.5 Ų43.559%0.58723%0.234SC*.THydrogen-bonded Turntrans-59.6-20.5179.7-77175.9166.7167.30114.4T24 V26 I43T24-K45 VanDerWaalsContact O-CB 3.32Å; T24-K45 WeakPolarHBondContact O-CB 3.49Å; T24-K45 VanDerWaalsContact O-CG 3.31Å; T24-K45 WeakPolarHBondContact O-CG 3.22Å; T24-K45 PolarHBondContact O-N 3.49Å; V26-K45 HydrophobicContact CG1-CD 3.86Å; V26-K45 HydrophobicContact CG1-CG 4.32Å; V26-K45 VanDerWaalsContact CG1-NZ 3.28Å; V26-K45 HydrophobicContact CG2-CD 4.34Å; V26-K45 HydrophobicContact CG2-CG 3.94Å; I43-K45 PolarHBondContact O-N 3.01Å
46R91.9Very high94.6Very high152 Ų15240.1 Ų40.157%0.57421%0.206SC*.THydrogen-bonded Turntrans-70.2-40.2179.3-68.6169-62.6-172.21.9112T24 Y25 D44 D89T24-R46 WeakPolarHBondContact OG1-CG 3.45Å; Y25-R46 PolarHBondContact OH-NH2 3.17Å; D44-R46 PolarHBondContact O-N 3.43Å; D44-R46 VanDerWaalsContact O-N 3.09Å; D44-R46 WeakPolarHBondContact OD1-CB 3.36Å; D44-R46 IonicContact OD1-CZ 3.28Å; D44-R46 PolarHBondContact OD1-N 2.97Å; D44-R46 IonicContact OD1-NE 3.97Å; D44-R46 PolarHBondContact OD1-NE 3.26Å; D44-R46 IonicContact OD1-NH2 3.44Å; D44-R46 IonicContact OD2-CZ 3.76Å; D44-R46 IonicContact OD2-NE 3.87Å; D44-R46 PolarHBondContact OD2-NE 3.14Å; D44-R46 IonicContact OD2-NH2 2.76Å; D44-R46 PolarHBondContact OD2-NH2 3.04Å; R46-D89 IonicContact NH1-OD2 3.85Å; R46-D89 IonicContact NH2-OD2 3.87Å
47S90.5Very high95.1Very high70 Ų7039.7 Ų39.749%0.4921%0.211SC..THydrogen-bonded Turntrans-111.4-19.3-175.759.60000113.7D44 E49D44-S47 PolarHBondContact O-N 3.02Å; S47-E49 PolarHBondContact O-N 3.09Å; S47-E49 WeakPolarHBondContact OG-CB 3.5Å; S47-E49 PolarHBondContact OG-N 3.23Å
48G93Very high95.2Very high52 Ų5248.5 Ų48.554%0.53624%0.243SC..  trans78.4-1.9-168.900000113.7D44D44-G48 WeakPolarHBondContact O-CA 3.48Å; D44-G48 PolarHBondContact O-N 3.44Å
49E93.2Very high95.2Very high86 Ų8648 Ų4840%0.40224%0.239SC..  trans-77.5149.9-177.1-65.8-173.3174.700112.6D44 S47 R354D44-E49 PolarHBondContact N-O 3.19Å; S47-E49 PolarHBondContact O-N 3.09Å; S47-E49 WeakPolarHBondContact OG-CB 3.5Å; S47-E49 PolarHBondContact OG-N 3.23Å; E49-R354 IonicContact OE2-CZ 3.14Å; E49-R354 IonicContact OE2-NH1 3.12Å; E49-R354 PolarHBondContact OE2-NH1 2.9Å
50K96.1Very high95.2Very high99 Ų9948 Ų4843%0.4324%0.237SC..EExtended strand (participates in β ladder)trans-80.3130.7169-164.9171.5-179.9-178.70109.6S41 A42 I43 F109S41-K50 VanDerWaalsContact CB-CE 3.44Å; S41-K50 WeakPolarHBondContact OG-CE 3.38Å; A42-K50 CarbonylContact O-C 3.55Å; A42-K50 WeakPolarHBondContact O-CA 3.1Å; I43-K50 HydrophobicContact CD1-CB 4.04Å; I43-K50 HydrophobicContact CD1-CG 4.1Å; K50-F109 HydrophobicContact CB-CB 4.34Å; K50-F109 HydrophobicContact CB-CD1 4.42Å; K50-F109 HydrophobicContact CB-CG 4.47Å; K50-F109 HydrophobicContact CD-CD1 3.67Å; K50-F109 HydrophobicContact CD-CD2 4.5Å; K50-F109 HydrophobicContact CD-CE1 3.79Å; K50-F109 HydrophobicContact CD-CG 4.05Å; K50-F109 HydrophobicContact CD-CZ 4.28Å; K50-F109 HydrophobicContact CG-CB 4.12Å; K50-F109 HydrophobicContact CG-CD1 3.94Å; K50-F109 HydrophobicContact CG-CD2 4.36Å; K50-F109 HydrophobicContact CG-CG 3.86Å; K50-F109 VanDerWaalsContact O-CB 3.31Å; K50-F109 WeakPolarHBondContact O-CB 3.42Å
51V96.9Very high95.1Very high1 Ų152.9 Ų52.91%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-123.9156.2179.7-60.80000110.7Y25 S41 A42 D44 I53 L88 V106Y25-V51 HydrophobicContact CD1-CG2 3.81Å; Y25-V51 HydrophobicContact CE1-CG2 3.81Å; S41-V51 CarbonylContact C-O 3.55Å; S41-V51 WeakPolarHBondContact CA-O 3.39Å; A42-V51 HydrophobicContact CB-CG2 4.23Å; A42-V51 PolarHBondContact N-O 3.1Å; A42-V51 PolarHBondContact O-N 3.07Å; D44-V51 HydrophobicContact CB-CG1 4.27Å; V51-I53 HydrophobicContact CG2-CD1 4.46Å; V51-I53 HydrophobicContact CG2-CG1 4.14Å; V51-L88 HydrophobicContact CB-CD1 4.35Å; V51-L88 HydrophobicContact CG1-CD1 3.6Å; V51-V106 HydrophobicContact CB-CG1 3.79Å; V51-V106 HydrophobicContact CG1-CG1 4.22Å; V51-V106 HydrophobicContact CG2-CG1 3.86Å
52A97.4Very high94.9Very high11 Ų1154.6 Ų54.69%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-98.6130.516800000109.3V39 C40 V106 M107 F109V39-A52 HydrophobicContact CG1-CB 4.13Å; C40-A52 CarbonylContact O-C 3.53Å; C40-A52 WeakPolarHBondContact O-CA 3.44Å; A52-V106 CarbonylContact O-C 3.57Å; A52-V106 WeakPolarHBondContact O-CA 3.48Å; A52-M107 PolarHBondContact N-O 2.64Å; A52-M107 PolarHBondContact O-N 3.37Å; A52-F109 HydrophobicContact CB-CD2 4.37Å
53I97.9Very high94.6Very high0 Ų059.3 Ų59.30%029%0.293CS..EExtended strand (participates in β ladder)trans-116.1116.8176.2-49.2-178.2000108.1W19 L21 Y25 V39 C40 A42 V51 F91 Y104 L105 V106W19-I53 VanDerWaalsContact CH2-O 3.27Å; W19-I53 WeakPolarHBondContact CH2-O 3.33Å; W19-I53 HydrophobicContact CZ3-CB 4.2Å; W19-I53 HydrophobicContact CZ3-CG2 3.95Å; W19-I53 WeakPolarHBondContact CZ3-O 3.39Å; L21-I53 HydrophobicContact CD1-CD1 4.47Å; L21-I53 HydrophobicContact CD2-CD1 4.31Å; L21-I53 HydrophobicContact CD2-CG2 4.21Å; Y25-I53 HydrophobicContact CD1-CD1 4.07Å; Y25-I53 HydrophobicContact CD2-CD1 4.06Å; Y25-I53 HydrophobicContact CG-CD1 3.7Å; V39-I53 WeakPolarHBondContact CA-O 3.36Å; C40-I53 PolarHBondContact N-O 3.23Å; C40-I53 PolarHBondContact O-N 3.44Å; A42-I53 HydrophobicContact CB-CD1 3.72Å; A42-I53 HydrophobicContact CB-CG1 4.31Å; V51-I53 HydrophobicContact CG2-CD1 4.46Å; V51-I53 HydrophobicContact CG2-CG1 4.14Å; I53-F91 HydrophobicContact CG2-CE1 4.5Å; I53-F91 HydrophobicContact CG2-CZ 4.19Å; I53-Y104 HydrophobicContact CG2-CD1 4.05Å; I53-Y104 HydrophobicContact CG2-CG 4.48Å; I53-L105 CarbonylContact C-O 3.59Å; I53-L105 WeakPolarHBondContact CA-O 3.36Å; I53-V106 HydrophobicContact CG1-CG1 4.37Å; I53-V106 HydrophobicContact CG1-CG2 4.23Å; I53-V106 HydrophobicContact CG2-CG2 4.36Å
54K97.3Very high94.2Very high21 Ų2159.9 Ų59.99%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-97.2116.8175.1-174.3174.8-176179.50109.3S38 V39 E72 Y104 L105 M107 D168S38-K54 CarbonylContact O-C 3.5Å; S38-K54 WeakPolarHBondContact O-CA 3.28Å; V39-K54 HydrophobicContact CG2-CB 4.1Å; V39-K54 HydrophobicContact CG2-CD 4.46Å; V39-K54 HydrophobicContact CG2-CG 4.01Å; K54-E72 WeakPolarHBondContact CE-OE1 3.34Å; K54-E72 IonicContact NZ-OE1 2.72Å; K54-E72 PolarHBondContact NZ-OE1 3.35Å; K54-E72 IonicContact NZ-OE2 3.68Å; K54-Y104 VanDerWaalsContact O-CA 3.31Å; K54-Y104 WeakPolarHBondContact O-CA 3.49Å; K54-L105 HydrophobicContact CB-CB 4.4Å; K54-L105 PolarHBondContact N-O 3.24Å; K54-L105 PolarHBondContact O-N 3.48Å; K54-M107 HydrophobicContact CB-CE 3.68Å; K54-M107 HydrophobicContact CD-CE 4.32Å; K54-D168 IonicContact NZ-OD1 2.99Å
55K97.5Very high94Very high28 Ų2860.6 Ų60.612%0.12230%0.298CS..EExtended strand (participates in β ladder)trans-87.1121.4166.1-174.9-175.8-176.8-168.80108.3T17 A18 W19 G37 S38 Y104T17-K55 HydrophobicContact CG2-CD 3.88Å; A18-K55 PolarHBondContact O-NZ 3.49Å; W19-K55 HydrophobicContact CD2-CB 4.33Å; W19-K55 HydrophobicContact CD2-CD 4.44Å; W19-K55 HydrophobicContact CE3-CB 4.05Å; W19-K55 HydrophobicContact CH2-CB 3.55Å; W19-K55 HydrophobicContact CZ2-CB 3.87Å; W19-K55 HydrophobicContact CZ3-CB 3.65Å; G37-K55 CarbonylContact C-O 3.46Å; G37-K55 WeakPolarHBondContact CA-O 3.32Å; S38-K55 PolarHBondContact N-O 3.01Å; S38-K55 PolarHBondContact O-N 2.77Å; K55-Y104 HydrophobicContact CB-CD1 3.74Å; K55-Y104 HydrophobicContact CB-CE1 3.57Å; K55-Y104 HydrophobicContact CD-CE1 3.75Å; K55-Y104 WeakPolarHBondContact CE-OH 3.43Å; K55-Y104 HydrophobicContact CG-CD1 3.99Å; K55-Y104 HydrophobicContact CG-CE1 3.46Å; K55-Y104 VanDerWaalsContact CG-CE1 3.46Å
56L94.9Very high93.9Very high4 Ų454.2 Ų54.22%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-71.5133.6176.5-73.2-60.8000109.9R58 P59 F103 L105L56-R58 PolarHBondContact O-N 3.04Å; L56-P59 HydrophobicContact CB-CB 4.1Å; L56-P59 HydrophobicContact CB-CG 4.09Å; L56-F103 HydrophobicContact CB-CE1 4.23Å; L56-F103 HydrophobicContact CB-CZ 4.38Å; L56-F103 HydrophobicContact CD2-CD2 3.94Å; L56-F103 HydrophobicContact CD2-CE1 4.35Å; L56-F103 HydrophobicContact CD2-CE2 3.58Å; L56-F103 HydrophobicContact CD2-CG 4.47Å; L56-F103 HydrophobicContact CD2-CZ 3.82Å; L56-F103 HydrophobicContact CG-CE1 3.97Å; L56-F103 HydrophobicContact CG-CE2 3.95Å; L56-F103 HydrophobicContact CG-CZ 3.62Å; L56-F103 PolarHBondContact N-O 3.49Å; L56-L105 HydrophobicContact CD2-CD1 3.68Å; L56-L105 HydrophobicContact CD2-CG 3.81Å
57S89.7Confident94Very high45 Ų4548.6 Ų48.632%0.31525%0.25SS..SBendtrans-86.1106.2-178.6-71.40000110.1Y36 G37Y36-S57 PolarHBondContact O-N 3.28Å; G37-S57 WeakPolarHBondContact CA-OG 3.31Å
58R90.4Very high94.1Very high189 Ų18946.3 Ų46.371%0.71323%0.231SC*.SBendtrans46.856.1177.4-57.5-179.7179.7177-0.3112.6L56 F60 Q61L56-R58 PolarHBondContact O-N 3.04Å; R58-F60 PolarHBondContact O-N 3.34Å; R58-Q61 HydrophobicContact CB-CB 4.14Å; R58-Q61 HydrophobicContact CB-CG 4.4Å; R58-Q61 WeakPolarHBondContact O-CG 3.18Å; R58-Q61 PolarHBondContact O-N 2.99Å; R58-Q61 VanDerWaalsContact O-N 3.1Å
59P94.3Very high94.2Very high3 Ų344 Ų442%0.01921%0.207CC..THydrogen-bonded Turntrans-59.8-18.8-172.724.6-34.3000113.7L56 F65 A66 A69 F103L56-P59 HydrophobicContact CB-CB 4.1Å; L56-P59 HydrophobicContact CB-CG 4.09Å; P59-F65 CarbonylContact O-C 3.58Å; P59-A66 WeakPolarHBondContact O-CA 3.3Å; P59-A66 PolarHBondContact O-N 3.07Å; P59-A69 HydrophobicContact CB-CB 3.83Å; P59-F103 HydrophobicContact CB-CE1 3.89Å; P59-F103 HydrophobicContact CG-CD1 4.15Å; P59-F103 HydrophobicContact CG-CE1 3.9Å
60F95.9Very high94.3Very high35 Ų3540.6 Ų40.615%0.15419%0.19CC..THydrogen-bonded Turntrans-10721.3-178.1-48-59000113.7R58 A66 F100 Y101 F103 V335 K339 I342R58-F60 PolarHBondContact O-N 3.34Å; F60-A66 HydrophobicContact CD1-CB 4.32Å; F60-F100 HydrophobicContact CE1-CE1 4.19Å; F60-F100 HydrophobicContact CE2-CD1 4.24Å; F60-F100 HydrophobicContact CE2-CE1 4Å; F60-F100 HydrophobicContact CE2-CE2 4.33Å; F60-F100 HydrophobicContact CE2-CZ 4.04Å; F60-F100 AromaticContact CZ-CD1 3.97Å; F60-F100 HydrophobicContact CZ-CD1 3.97Å; F60-F100 AromaticContact CZ-CE1 3.35Å; F60-F100 HydrophobicContact CZ-CE1 3.35Å; F60-F100 HydrophobicContact CZ-CE2 4.22Å; F60-F100 AromaticContact CZ-CZ 3.49Å; F60-F100 HydrophobicContact CZ-CZ 3.49Å; F60-F100 VanDerWaalsContact CZ-CZ 3.49Å; F60-Y101 WeakPolarHBondContact CD2-O 3.46Å; F60-Y101 WeakPolarHBondContact CE2-O 3.38Å; F60-F103 HydrophobicContact CZ-CD1 4.45Å; F60-F103 HydrophobicContact CZ-CE1 4.47Å; F60-V335 HydrophobicContact CB-CG1 3.79Å; F60-V335 VanDerWaalsContact O-CG1 3.3Å; F60-V335 WeakPolarHBondContact O-CG1 3.23Å; F60-K339 HydrophobicContact CD1-CB 3.86Å; F60-K339 HydrophobicContact CD1-CG 4.12Å; F60-K339 HydrophobicContact CE1-CB 3.82Å; F60-K339 HydrophobicContact CE1-CG 3.89Å; F60-K339 HydrophobicContact CE2-CG 4.38Å; F60-K339 HydrophobicContact CG-CD 4.48Å; F60-K339 HydrophobicContact CG-CG 4.49Å; F60-K339 HydrophobicContact CZ-CB 4.48Å; F60-K339 HydrophobicContact CZ-CG 4.05Å; F60-I342 HydrophobicContact CE1-CD1 3.7Å; F60-I342 HydrophobicContact CZ-CD1 4.48Å
61Q93.3Very high94.2Very high102 Ų10236.1 Ų36.148%0.47717%0.171SC..SBendtrans-74.7-23.9-178.568.5-179.2-13.900114.2R58 F65R58-Q61 HydrophobicContact CB-CB 4.14Å; R58-Q61 HydrophobicContact CB-CG 4.4Å; R58-Q61 WeakPolarHBondContact O-CG 3.18Å; R58-Q61 PolarHBondContact O-N 2.99Å; R58-Q61 VanDerWaalsContact O-N 3.1Å; Q61-F65 HydrophobicContact CG-CB 3.97Å; Q61-F65 HydrophobicContact CG-CD1 4.03Å; Q61-F65 HydrophobicContact CG-CD2 4.06Å; Q61-F65 HydrophobicContact CG-CG 3.73Å
62S93.6Very high94.2Very high41 Ų4136.5 Ų36.529%0.28717%0.173SC..SBendtrans-156165.117669.40000109.8I64 F65 A66S62-I64 PolarHBondContact O-N 2.69Å; S62-F65 PolarHBondContact O-N 3.39Å; S62-F65 WeakPolarHBondContact OG-CD2 3.27Å; S62-F65 PolarHBondContact OG-N 2.95Å; S62-A66 WeakPolarHBondContact O-CB 3.06Å; S62-A66 PolarHBondContact O-N 3.35Å
63E93.2Very high94.1Very high102 Ų10236 Ų3648%0.47717%0.168SC..Hα-helixtrans-58.9-37.3177-66.3175.5-176.300111.8A66 K67 V335E63-A66 PolarHBondContact O-N 3.08Å; E63-K67 VanDerWaalsContact O-CB 3.23Å; E63-K67 WeakPolarHBondContact O-CB 3.26Å; E63-K67 PolarHBondContact O-N 3.27Å; E63-V335 HydrophobicContact CG-CG2 3.9Å
64I89.5Confident94Very high70 Ų7036.8 Ų36.836%0.35917%0.173SC..Hα-helixtrans-62.3-47.1177.5-61.7174.2000110.6S62 R68S62-I64 PolarHBondContact O-N 2.69Å; I64-R68 VanDerWaalsContact O-CB 3.28Å; I64-R68 WeakPolarHBondContact O-CB 3.45Å; I64-R68 PolarHBondContact O-N 3.37Å
65F91.5Very high93.9Very high27 Ų2735.9 Ų35.912%0.11817%0.169CC..Hα-helixtrans-66.1-40.9178.4-87.5-108.5000111.6Y36 P59 Q61 S62 R68 A69Y36-F65 HydrophobicContact CD1-CD1 4.3Å; Y36-F65 AromaticContact CD1-CE1 3.72Å; Y36-F65 HydrophobicContact CD1-CE1 3.72Å; Y36-F65 HydrophobicContact CD1-CZ 4.07Å; Y36-F65 AromaticContact CE1-CE1 3.99Å; Y36-F65 HydrophobicContact CE1-CE1 3.99Å; Y36-F65 HydrophobicContact CE1-CE2 4.45Å; Y36-F65 AromaticContact CE1-CZ 3.84Å; Y36-F65 HydrophobicContact CE1-CZ 3.84Å; P59-F65 CarbonylContact O-C 3.58Å; Q61-F65 HydrophobicContact CG-CB 3.97Å; Q61-F65 HydrophobicContact CG-CD1 4.03Å; Q61-F65 HydrophobicContact CG-CD2 4.06Å; Q61-F65 HydrophobicContact CG-CG 3.73Å; S62-F65 PolarHBondContact O-N 3.39Å; S62-F65 WeakPolarHBondContact OG-CD2 3.27Å; S62-F65 PolarHBondContact OG-N 2.95Å; F65-R68 PolarHBondContact O-N 3.24Å; F65-A69 VanDerWaalsContact O-CB 3.3Å; F65-A69 WeakPolarHBondContact O-CB 3.24Å; F65-A69 PolarHBondContact O-N 3.37Å
66A94.7Very high93.8Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-67.3-46.8-179.100000111.4P59 F60 S62 E63 R68 A69 Y70 W338 I342P59-A66 WeakPolarHBondContact O-CA 3.3Å; P59-A66 PolarHBondContact O-N 3.07Å; F60-A66 HydrophobicContact CD1-CB 4.32Å; S62-A66 WeakPolarHBondContact O-CB 3.06Å; S62-A66 PolarHBondContact O-N 3.35Å; E63-A66 PolarHBondContact O-N 3.08Å; A66-R68 PolarHBondContact O-N 2.95Å; A66-A69 PolarHBondContact O-N 3.4Å; A66-Y70 PolarHBondContact O-N 2.96Å; A66-W338 HydrophobicContact CB-CB 3.63Å; A66-W338 HydrophobicContact CB-CG 4.06Å; A66-I342 WeakPolarHBondContact O-CD1 3.42Å
67K93.8Very high93.8Very high34 Ų3436.9 Ų36.915%0.14817%0.173CC..Hα-helixtrans-61-43.1175.5-174.7170.2-173.2162.20112.2E63 Y70 R71 H174 E329 E331 W338E63-K67 VanDerWaalsContact O-CB 3.23Å; E63-K67 WeakPolarHBondContact O-CB 3.26Å; E63-K67 PolarHBondContact O-N 3.27Å; K67-Y70 WeakPolarHBondContact O-CB 3.4Å; K67-Y70 PolarHBondContact O-N 3.07Å; K67-R71 WeakPolarHBondContact O-CB 3.39Å; K67-R71 PolarHBondContact O-N 2.85Å; K67-H174 WeakPolarHBondContact CE-NE2 3.46Å; K67-E329 WeakPolarHBondContact CE-O 3.32Å; K67-E329 PolarHBondContact NZ-O 3.15Å; K67-E331 PolarHBondContact NZ-O 2.81Å; K67-W338 HydrophobicContact CB-CD2 4.16Å; K67-W338 HydrophobicContact CB-CZ2 3.98Å; K67-W338 HydrophobicContact CD-CH2 4.12Å; K67-W338 HydrophobicContact CD-CZ2 3.59Å; K67-W338 HydrophobicContact CG-CH2 3.87Å; K67-W338 HydrophobicContact CG-CZ2 3.61Å; K67-W338 HydrophobicContact CG-CZ3 4.43Å
68R92.3Very high94Very high22 Ų2237 Ų378%0.08317%0.169CC..Hα-helixtrans-61.2-45.7175.6-178.8-178.3177135.40.7111.8Y36 I64 F65 A66 Y70 R71 E72Y36-R68 VanDerWaalsContact CE1-NH1 3.33Å; Y36-R68 PolarHBondContact OH-NH1 2.96Å; I64-R68 VanDerWaalsContact O-CB 3.28Å; I64-R68 WeakPolarHBondContact O-CB 3.45Å; I64-R68 PolarHBondContact O-N 3.37Å; F65-R68 PolarHBondContact O-N 3.24Å; A66-R68 PolarHBondContact O-N 2.95Å; R68-Y70 VanDerWaalsContact C-N 3.33Å; R68-Y70 PolarHBondContact O-N 3.28Å; R68-R71 PolarHBondContact O-N 3.48Å; R68-E72 WeakPolarHBondContact O-CB 3.27Å; R68-E72 PolarHBondContact O-N 2.85Å
69A94.4Very high94.2Very high4 Ų428.1 Ų28.13%0.03314%0.135CC..Hα-helixtrans-63.8-38.6179.300000112P59 F65 A66 L73 F103 I342P59-A69 HydrophobicContact CB-CB 3.83Å; F65-A69 VanDerWaalsContact O-CB 3.3Å; F65-A69 WeakPolarHBondContact O-CB 3.24Å; F65-A69 PolarHBondContact O-N 3.37Å; A66-A69 PolarHBondContact O-N 3.4Å; A69-L73 PolarHBondContact O-N 3.12Å; A69-L73 VanDerWaalsContact O-N 3.13Å; A69-F103 HydrophobicContact CB-CE1 4.22Å; A69-F103 HydrophobicContact CB-CZ 4.01Å; A69-I342 HydrophobicContact CB-CD1 4.16Å
70Y95.9Very high94.2Very high14 Ų1433.2 Ų33.26%0.05516%0.159CC..Hα-helixtrans-60.3-54171.9174.5-104.9000111.3A66 K67 R68 E72 L73 L74 L328 W338 H341 I342 E345A66-Y70 PolarHBondContact O-N 2.96Å; K67-Y70 WeakPolarHBondContact O-CB 3.4Å; K67-Y70 PolarHBondContact O-N 3.07Å; R68-Y70 VanDerWaalsContact C-N 3.33Å; R68-Y70 PolarHBondContact O-N 3.28Å; Y70-E72 VanDerWaalsContact C-N 3.32Å; Y70-E72 PolarHBondContact O-N 3.15Å; Y70-L73 WeakPolarHBondContact O-CB 3.37Å; Y70-L73 PolarHBondContact O-N 3.11Å; Y70-L73 VanDerWaalsContact O-N 3.16Å; Y70-L74 HydrophobicContact CD1-CD1 4.21Å; Y70-L74 HydrophobicContact CD1-CD2 4.31Å; Y70-L74 HydrophobicContact CD2-CD1 3.6Å; Y70-L74 HydrophobicContact CE1-CD1 3.9Å; Y70-L74 HydrophobicContact CE1-CD2 3.5Å; Y70-L74 VanDerWaalsContact CE1-CD2 3.5Å; Y70-L74 HydrophobicContact CE1-CG 4.32Å; Y70-L74 HydrophobicContact CE2-CD1 3.22Å; Y70-L74 HydrophobicContact CE2-CD2 4.18Å; Y70-L74 HydrophobicContact CE2-CG 4.32Å; Y70-L74 HydrophobicContact CG-CD1 4.09Å; Y70-L74 VanDerWaalsContact CZ-CD1 3.4Å; Y70-L74 VanDerWaalsContact CZ-CD2 3.42Å; Y70-L74 WeakPolarHBondContact O-CD1 3.48Å; Y70-L74 PolarHBondContact O-N 2.95Å; Y70-L74 WeakPolarHBondContact OH-CD2 3.32Å; Y70-L328 HydrophobicContact CE1-CB 4.22Å; Y70-L328 HydrophobicContact CE1-CD1 4.03Å; Y70-W338 AromaticContact CD1-CE3 3.9Å; Y70-W338 HydrophobicContact CD1-CE3 3.9Å; Y70-W338 HydrophobicContact CD1-CH2 4.44Å; Y70-W338 AromaticContact CD1-CZ3 3.42Å; Y70-W338 HydrophobicContact CD1-CZ3 3.42Å; Y70-W338 VanDerWaalsContact CD1-CZ3 3.42Å; Y70-W338 AromaticContact CE1-CZ3 3.79Å; Y70-W338 HydrophobicContact CE1-CZ3 3.79Å; Y70-W338 AromaticContact CG-CE3 3.89Å; Y70-W338 HydrophobicContact CG-CE3 3.89Å; Y70-W338 AromaticContact CG-CZ3 3.92Å; Y70-W338 HydrophobicContact CG-CZ3 3.92Å; Y70-H341 HydrophobicContact CD2-CB 3.91Å; Y70-H341 HydrophobicContact CE2-CB 3.66Å; Y70-I342 HydrophobicContact CD2-CG1 3.9Å; Y70-I342 HydrophobicContact CG-CG1 4.28Å; Y70-E345 HydrophobicContact CE2-CG 4.04Å
71R94.7Very high94.2Very high5 Ų532.4 Ų32.42%0.01916%0.156CC..Hα-helixtrans-61.1-40.7-178.8-172.4173.1179.496.9-3.8112.4K67 R68 L74 L75 G170 H174 D326 E329K67-R71 WeakPolarHBondContact O-CB 3.39Å; K67-R71 PolarHBondContact O-N 2.85Å; R68-R71 PolarHBondContact O-N 3.48Å; R71-L74 PolarHBondContact O-N 2.98Å; R71-L75 HydrophobicContact CG-CD1 3.79Å; R71-L75 HydrophobicContact CG-CG 4.3Å; R71-L75 VanDerWaalsContact O-CB 3.32Å; R71-L75 WeakPolarHBondContact O-CB 3.48Å; R71-L75 VanDerWaalsContact O-CG 3.28Å; R71-L75 WeakPolarHBondContact O-CG 3.46Å; R71-L75 PolarHBondContact O-N 3.31Å; R71-G170 PolarHBondContact NE-O 2.92Å; R71-H174 VanDerWaalsContact CD-CE1 3.44Å; R71-H174 WeakPolarHBondContact CD-CE1 3.45Å; R71-D326 IonicContact CZ-OD2 2.85Å; R71-D326 IonicContact NH1-OD2 3.61Å; R71-D326 PolarHBondContact NH1-OD2 2.94Å; R71-E329 IonicContact CZ-OE2 3.87Å; R71-E329 IonicContact NH1-OE1 3.73Å; R71-E329 IonicContact NH1-OE2 2.7Å; R71-E329 PolarHBondContact NH1-OE2 3.49Å; R71-E329 IonicContact NH2-OE1 2.66Å; R71-E329 IonicContact NH2-OE2 2.66Å; R71-E329 PolarHBondContact NH2-OE2 2.96Å
72E95.2Very high94.3Very high10 Ų1029.1 Ų29.15%0.04714%0.14CC..Hα-helixtrans-59.2-46.9175.1-176.4174.8178.600111.6K54 R68 Y70 L75 L76 L105 L171K54-E72 WeakPolarHBondContact CE-OE1 3.34Å; K54-E72 IonicContact NZ-OE1 2.72Å; K54-E72 PolarHBondContact NZ-OE1 3.35Å; K54-E72 IonicContact NZ-OE2 3.68Å; R68-E72 WeakPolarHBondContact O-CB 3.27Å; R68-E72 PolarHBondContact O-N 2.85Å; Y70-E72 VanDerWaalsContact C-N 3.32Å; Y70-E72 PolarHBondContact O-N 3.15Å; E72-L75 PolarHBondContact O-N 3.02Å; E72-L76 HydrophobicContact CG-CD1 3.94Å; E72-L76 WeakPolarHBondContact O-CB 3.43Å; E72-L76 VanDerWaalsContact O-CG 3.27Å; E72-L76 WeakPolarHBondContact O-CG 3.35Å; E72-L76 PolarHBondContact O-N 3.38Å; E72-L105 HydrophobicContact CG-CD1 4.26Å; E72-L171 HydrophobicContact CB-CD1 4.37Å; E72-L171 HydrophobicContact CB-CD2 3.92Å; E72-L171 HydrophobicContact CG-CD1 4.24Å
73L96Very high94.5Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-60.6-46.9176.4174.859.1000111.8A69 Y70 L76 K77 L87 V90 L105 I342 E345 I346A69-L73 PolarHBondContact O-N 3.12Å; A69-L73 VanDerWaalsContact O-N 3.13Å; Y70-L73 WeakPolarHBondContact O-CB 3.37Å; Y70-L73 PolarHBondContact O-N 3.11Å; Y70-L73 VanDerWaalsContact O-N 3.16Å; L73-L76 PolarHBondContact O-N 3.36Å; L73-K77 HydrophobicContact CD1-CD 3.93Å; L73-K77 HydrophobicContact CD1-CG 4.07Å; L73-K77 HydrophobicContact CG-CD 4.11Å; L73-K77 WeakPolarHBondContact O-CB 3.18Å; L73-K77 VanDerWaalsContact O-CG 3.29Å; L73-K77 WeakPolarHBondContact O-CG 3.47Å; L73-K77 PolarHBondContact O-N 3.23Å; L73-L87 HydrophobicContact CD1-CD2 3.71Å; L73-V90 HydrophobicContact CD1-CB 4.32Å; L73-V90 HydrophobicContact CD1-CG1 4.28Å; L73-V90 HydrophobicContact CD1-CG2 3.93Å; L73-L105 HydrophobicContact CD1-CD2 3.81Å; L73-I342 HydrophobicContact CD2-CG2 4.16Å; L73-E345 HydrophobicContact CD2-CB 3.63Å; L73-E345 HydrophobicContact CG-CB 4.32Å; L73-I346 HydrophobicContact CD2-CG1 3.83Å
74L95.5Very high94.7Very high17 Ų1722.6 Ų22.69%0.08911%0.105CC..Hα-helixtrans-60.1-48.2179.7-99.168.6000112.2Y70 R71 K77 H78 F324 E345Y70-L74 HydrophobicContact CD1-CD1 4.21Å; Y70-L74 HydrophobicContact CD1-CD2 4.31Å; Y70-L74 HydrophobicContact CD2-CD1 3.6Å; Y70-L74 HydrophobicContact CE1-CD1 3.9Å; Y70-L74 HydrophobicContact CE1-CD2 3.5Å; Y70-L74 VanDerWaalsContact CE1-CD2 3.5Å; Y70-L74 HydrophobicContact CE1-CG 4.32Å; Y70-L74 HydrophobicContact CE2-CD1 3.22Å; Y70-L74 HydrophobicContact CE2-CD2 4.18Å; Y70-L74 HydrophobicContact CE2-CG 4.32Å; Y70-L74 HydrophobicContact CG-CD1 4.09Å; Y70-L74 VanDerWaalsContact CZ-CD1 3.4Å; Y70-L74 VanDerWaalsContact CZ-CD2 3.42Å; Y70-L74 WeakPolarHBondContact O-CD1 3.48Å; Y70-L74 PolarHBondContact O-N 2.95Å; Y70-L74 WeakPolarHBondContact OH-CD2 3.32Å; R71-L74 PolarHBondContact O-N 2.98Å; L74-K77 PolarHBondContact O-N 2.92Å; L74-H78 WeakPolarHBondContact O-CB 3.43Å; L74-H78 PolarHBondContact O-N 2.85Å; L74-F324 HydrophobicContact CB-CE2 3.93Å; L74-F324 HydrophobicContact CB-CZ 3.92Å; L74-F324 HydrophobicContact CD2-CZ 4.38Å; L74-E345 HydrophobicContact CD1-CG 3.78Å
75L95.3Very high95Very high2 Ų219.6 Ų19.61%0.019%0.09CC..Hα-helixtrans-61-46.6179.6-78.1170.6000111.4R71 E72 K77 H78 M79 V146 F169 L171 F324R71-L75 HydrophobicContact CG-CD1 3.79Å; R71-L75 HydrophobicContact CG-CG 4.3Å; R71-L75 VanDerWaalsContact O-CB 3.32Å; R71-L75 WeakPolarHBondContact O-CB 3.48Å; R71-L75 VanDerWaalsContact O-CG 3.28Å; R71-L75 WeakPolarHBondContact O-CG 3.46Å; R71-L75 PolarHBondContact O-N 3.31Å; E72-L75 PolarHBondContact O-N 3.02Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.22Å; L75-H78 PolarHBondContact O-N 3.41Å; L75-M79 HydrophobicContact CD2-CE 4.16Å; L75-M79 WeakPolarHBondContact O-CG 3.35Å; L75-M79 PolarHBondContact O-N 2.91Å; L75-V146 HydrophobicContact CD2-CG1 4.05Å; L75-V146 HydrophobicContact CD2-CG2 3.86Å; L75-F169 HydrophobicContact CB-CD2 4.37Å; L75-F169 HydrophobicContact CB-CE2 3.67Å; L75-F169 HydrophobicContact CB-CZ 4.31Å; L75-F169 HydrophobicContact CD1-CD2 4.49Å; L75-F169 WeakPolarHBondContact CD1-O 3.34Å; L75-F169 HydrophobicContact CD2-CD2 4.23Å; L75-F169 HydrophobicContact CD2-CE2 4.03Å; L75-F169 HydrophobicContact CG-CE2 4.3Å; L75-L171 HydrophobicContact CD1-CD2 4.16Å; L75-F324 HydrophobicContact CD2-CD1 3.92Å; L75-F324 HydrophobicContact CD2-CD2 4.09Å; L75-F324 HydrophobicContact CD2-CE1 3.63Å; L75-F324 HydrophobicContact CD2-CE2 3.83Å; L75-F324 HydrophobicContact CD2-CG 4.13Å; L75-F324 HydrophobicContact CD2-CZ 3.59Å; L75-F324 HydrophobicContact CG-CE1 4.13Å; L75-F324 HydrophobicContact CG-CE2 4.15Å; L75-F324 HydrophobicContact CG-CZ 3.74Å
76L95.8Very high95.1Very high9 Ų919 Ų195%0.0479%0.092CC..Hα-helixtrans-65.5-32.7178-71.1170.9000113.1E72 L73 I85 L87 L105 M107E72-L76 HydrophobicContact CG-CD1 3.94Å; E72-L76 WeakPolarHBondContact O-CB 3.43Å; E72-L76 VanDerWaalsContact O-CG 3.27Å; E72-L76 WeakPolarHBondContact O-CG 3.35Å; E72-L76 PolarHBondContact O-N 3.38Å; L73-L76 PolarHBondContact O-N 3.36Å; L76-I85 HydrophobicContact CD2-CG2 3.74Å; L76-I85 WeakPolarHBondContact CD2-O 3.32Å; L76-L87 HydrophobicContact CB-CB 4.08Å; L76-L87 HydrophobicContact CB-CD1 4.29Å; L76-L87 HydrophobicContact CD1-CD1 4.32Å; L76-L87 WeakPolarHBondContact O-CB 3.42Å; L76-L87 PolarHBondContact O-N 3.41Å; L76-L87 VanDerWaalsContact O-N 3.1Å; L76-L105 HydrophobicContact CD1-CD1 3.72Å; L76-L105 HydrophobicContact CD1-CD2 4.5Å; L76-L105 HydrophobicContact CD1-CG 4.5Å; L76-M107 HydrophobicContact CD1-SD 4.36Å; L76-M107 HydrophobicContact CD2-SD 4.39Å
77K94.4Very high95.1Very high43 Ų4319.8 Ų19.819%0.18710%0.096CC..Hα-helixtrans-69.9-37.1173.9-76.6179.763.5174.80112.3L73 L74 L75 L87 E345 F349L73-K77 HydrophobicContact CD1-CD 3.93Å; L73-K77 HydrophobicContact CD1-CG 4.07Å; L73-K77 HydrophobicContact CG-CD 4.11Å; L73-K77 WeakPolarHBondContact O-CB 3.18Å; L73-K77 VanDerWaalsContact O-CG 3.29Å; L73-K77 WeakPolarHBondContact O-CG 3.47Å; L73-K77 PolarHBondContact O-N 3.23Å; L74-K77 PolarHBondContact O-N 2.92Å; L75-K77 VanDerWaalsContact C-N 3.31Å; L75-K77 PolarHBondContact O-N 3.22Å; K77-L87 HydrophobicContact CG-CD2 3.65Å; K77-E345 PolarHBondContact NZ-O 2.89Å; K77-E345 IonicContact NZ-OE2 3.36Å; K77-E345 PolarHBondContact NZ-OE2 3.14Å; K77-F349 HydrophobicContact CD-CD2 4.12Å; K77-F349 HydrophobicContact CG-CD2 3.92Å; K77-F349 HydrophobicContact CG-CE2 4.18Å
78H94.3Very high95.2Very high47 Ų4720 Ų2022%0.21810%0.098CC..Hα-helixtrans-76.3-41.8-175.9-175.586.9000112.3L74 L75 Q80 Q322 P323 F324L74-H78 WeakPolarHBondContact O-CB 3.43Å; L74-H78 PolarHBondContact O-N 2.85Å; L75-H78 PolarHBondContact O-N 3.41Å; H78-Q80 PolarHBondContact O-N 3.13Å; H78-Q322 PolarHBondContact CE1-O 2.95Å; H78-Q322 PolarHBondContact NE2-O 2.96Å; H78-P323 PolarHBondContact CE1-O 2.87Å; H78-F324 HydrophobicContact CB-CD2 3.86Å; H78-F324 HydrophobicContact CB-CE2 4.23Å; H78-F324 AromaticContact CG-CD2 3.75Å
79M95Very high95.3Very high3 Ų320.1 Ų20.12%0.01510%0.101CC..  trans-75.2125.9-173.1-62.2-55.2165.500113L75 V84 Y140 I141 A144 V146 F169L75-M79 HydrophobicContact CD2-CE 4.16Å; L75-M79 WeakPolarHBondContact O-CG 3.35Å; L75-M79 PolarHBondContact O-N 2.91Å; M79-V84 HydrophobicContact CB-CG1 3.83Å; M79-V84 HydrophobicContact CG-CG1 3.95Å; M79-Y140 HydrophobicContact CB-CE1 4.37Å; M79-Y140 HydrophobicContact SD-CD1 4Å; M79-Y140 HydrophobicContact SD-CE1 3.65Å; M79-I141 HydrophobicContact SD-CG1 4.48Å; M79-A144 HydrophobicContact CE-CB 4.14Å; M79-V146 HydrophobicContact CE-CB 4.11Å; M79-V146 HydrophobicContact CE-CG1 4.48Å; M79-V146 HydrophobicContact CE-CG2 3.74Å; M79-F169 HydrophobicContact CB-CE2 4.37Å; M79-F169 HydrophobicContact CB-CZ 3.94Å; M79-F169 HydrophobicContact CE-CD2 4.24Å; M79-F169 HydrophobicContact CE-CE2 3.81Å; M79-F169 HydrophobicContact CG-CD2 4.33Å; M79-F169 HydrophobicContact CG-CE1 4.36Å; M79-F169 HydrophobicContact CG-CE2 3.27Å; M79-F169 HydrophobicContact CG-CZ 3.32Å; M79-F169 HydrophobicContact SD-CE2 4.3Å
80Q94.3Very high95.4Very high111 Ų11120.3 Ų20.352%0.51910%0.101SC..  trans-134.580176.4-64.9175.236.300110H78 Y140 I352H78-Q80 PolarHBondContact O-N 3.13Å; Q80-Y140 PolarHBondContact N-OH 2.8Å; Q80-Y140 PolarHBondContact O-OH 3.5Å; Q80-I352 HydrophobicContact CG-CD1 4.3Å
81H95.4Very high95.5Very high18 Ų1820.4 Ų20.48%0.08310%0.102CC..  trans-145.1145.3-178.5-172.2-88.8000110.7N83 V84 Y140 T318H81-N83 VanDerWaalsContact C-N 3.27Å; H81-N83 PolarHBondContact ND1-N 3.01Å; H81-N83 PolarHBondContact O-N 3.02Å; H81-V84 HydrophobicContact CB-CB 4.05Å; H81-V84 HydrophobicContact CB-CG2 3.88Å; H81-V84 PolarHBondContact O-N 2.93Å; H81-Y140 HydrophobicContact CB-CD1 3.66Å; H81-Y140 HydrophobicContact CB-CD2 3.94Å; H81-Y140 HydrophobicContact CB-CE1 3.88Å; H81-Y140 HydrophobicContact CB-CE2 4.13Å; H81-Y140 HydrophobicContact CB-CG 3.68Å; H81-Y140 AromaticContact CD2-CD2 3.46Å; H81-Y140 VanDerWaalsContact CD2-CD2 3.46Å; H81-Y140 WeakPolarHBondContact CD2-CD2 3.43Å; H81-Y140 AromaticContact CD2-CG 3.58Å; H81-Y140 AromaticContact CG-CD2 3.97Å; H81-Y140 AromaticContact CG-CG 3.74Å; H81-T318 PolarHBondContact CD2-OG1 3.09Å; H81-T318 VanDerWaalsContact CD2-OG1 3.23Å
82E94.8Very high95.6Very high33 Ų3321 Ų2115%0.15411%0.106CC..THydrogen-bonded Turntrans-62.2-34.7-176.766.3179.3152.600112.6K136 K165 S357E82-K136 IonicContact OE1-NZ 3.78Å; E82-K136 PolarHBondContact OE1-NZ 3.27Å; E82-K165 WeakPolarHBondContact O-CG 3.47Å; E82-K165 PolarHBondContact O-NZ 3.14Å; E82-S357 WeakPolarHBondContact OE2-CB 3.36Å; E82-S357 PolarHBondContact OE2-OG 2.7Å
83N97.6Very high95.5Very high3 Ų321 Ų212%0.01611%0.107CC..THydrogen-bonded Turntrans-96.713.7179.3-54.7121.7000114.9H81 Q133 K136 L164 K165 I166H81-N83 VanDerWaalsContact C-N 3.27Å; H81-N83 PolarHBondContact ND1-N 3.01Å; H81-N83 PolarHBondContact O-N 3.02Å; N83-Q133 VanDerWaalsContact CB-O 3.29Å; N83-Q133 WeakPolarHBondContact CB-O 3.36Å; N83-Q133 WeakPolarHBondContact ND2-CB 3.43Å; N83-Q133 WeakPolarHBondContact ND2-CG 3.02Å; N83-Q133 PolarHBondContact ND2-OE1 3Å; N83-K136 VanDerWaalsContact OD1-CE 3.27Å; N83-K136 WeakPolarHBondContact OD1-CE 3.43Å; N83-L164 VanDerWaalsContact CA-O 3.27Å; N83-L164 WeakPolarHBondContact CA-O 3.24Å; N83-L164 PolarHBondContact ND2-O 3.19Å; N83-K165 WeakPolarHBondContact O-CA 3.43Å; N83-I166 WeakPolarHBondContact O-CG1 3.49Å; N83-I166 PolarHBondContact O-N 3.41Å
84V97.4Very high95.4Very high2 Ų221.5 Ų21.51%0.01211%0.111CC..BIsolated β-bridgetrans-126.6133.5175.5-174.80000108.3M79 H81 G86 Y140 I141 F169M79-V84 HydrophobicContact CB-CG1 3.83Å; M79-V84 HydrophobicContact CG-CG1 3.95Å; H81-V84 HydrophobicContact CB-CB 4.05Å; H81-V84 HydrophobicContact CB-CG2 3.88Å; H81-V84 PolarHBondContact O-N 2.93Å; V84-G86 PolarHBondContact O-N 2.84Å; V84-Y140 HydrophobicContact CG2-CD1 4.39Å; V84-I141 HydrophobicContact CG1-CD1 3.99Å; V84-I141 HydrophobicContact CG1-CG1 4.11Å; V84-I141 HydrophobicContact CG2-CD1 3.8Å; V84-I141 HydrophobicContact CG2-CG1 3.79Å; V84-F169 HydrophobicContact CG1-CD1 3.87Å; V84-F169 HydrophobicContact CG1-CE1 3.39Å; V84-F169 HydrophobicContact CG1-CE2 4.5Å; V84-F169 HydrophobicContact CG1-CZ 3.78Å
85I96.1Very high95.2Very high7 Ų724.2 Ų24.24%0.03613%0.132CC..  trans-66.9126.4177.4-159.771.1000109.6L76 M107 P108 K165 I166 L167 F169L76-I85 HydrophobicContact CD2-CG2 3.74Å; L76-I85 WeakPolarHBondContact CD2-O 3.32Å; I85-M107 HydrophobicContact CD1-CB 4.13Å; I85-M107 HydrophobicContact CG1-CB 4.03Å; I85-M107 HydrophobicContact CG1-CG 4.18Å; I85-M107 HydrophobicContact CG1-SD 3.99Å; I85-P108 HydrophobicContact CD1-CB 4.08Å; I85-P108 HydrophobicContact CD1-CG 3.95Å; I85-K165 HydrophobicContact CD1-CB 4.44Å; I85-K165 HydrophobicContact CD1-CD 3.79Å; I85-I166 WeakPolarHBondContact CB-O 3.35Å; I85-I166 VanDerWaalsContact CG2-O 3.31Å; I85-I166 WeakPolarHBondContact CG2-O 3.47Å; I85-I166 PolarHBondContact N-O 2.98Å; I85-L167 HydrophobicContact CB-CD2 3.76Å; I85-L167 HydrophobicContact CD1-CD2 4.33Å; I85-L167 HydrophobicContact CG1-CD2 4.02Å; I85-L167 HydrophobicContact CG2-CD2 3.83Å; I85-F169 HydrophobicContact CG2-CE1 3.99Å
86G94.4Very high95.2Very high15 Ų1526.2 Ų26.216%0.15515%0.146CC..  trans-118.4172176.700000111.5V84 P108V84-G86 PolarHBondContact O-N 2.84Å; G86-P108 WeakPolarHBondContact O-CD 3.47Å
87L95.1Very high95.1Very high17 Ų1728.5 Ų28.59%0.08916%0.158CC..  trans-90.2125.3-178.7-155.560.8000111.7L73 L76 K77 D89 V90 L105 F349L73-L87 HydrophobicContact CD1-CD2 3.71Å; L76-L87 HydrophobicContact CB-CB 4.08Å; L76-L87 HydrophobicContact CB-CD1 4.29Å; L76-L87 HydrophobicContact CD1-CD1 4.32Å; L76-L87 WeakPolarHBondContact O-CB 3.42Å; L76-L87 PolarHBondContact O-N 3.41Å; L76-L87 VanDerWaalsContact O-N 3.1Å; K77-L87 HydrophobicContact CG-CD2 3.65Å; L87-D89 WeakPolarHBondContact CD1-O 3.34Å; L87-V90 HydrophobicContact CD2-CB 3.9Å; L87-V90 HydrophobicContact CD2-CG1 3.98Å; L87-V90 HydrophobicContact CG-CB 4.47Å; L87-L105 HydrophobicContact CD1-CB 3.84Å; L87-L105 HydrophobicContact CD1-CD2 3.74Å; L87-L105 HydrophobicContact CD1-CG 4.37Å; L87-L105 HydrophobicContact CD2-CD2 4.42Å; L87-F349 HydrophobicContact CB-CE2 4.16Å; L87-F349 HydrophobicContact CB-CZ 4.4Å; L87-F349 HydrophobicContact CD2-CD2 4.02Å; L87-F349 HydrophobicContact CD2-CE2 3.69Å; L87-F349 HydrophobicContact CD2-CZ 4.29Å; L87-F349 HydrophobicContact CG-CE2 4.06Å; L87-F349 HydrophobicContact CG-CZ 4.22Å
88L94.4Very high95Very high37 Ų3736.9 Ų36.919%0.19419%0.188CC..SBendtrans-84-45.3168.9-77.6-176.3000112.3V51 V106 R354V51-L88 HydrophobicContact CB-CD1 4.35Å; V51-L88 HydrophobicContact CG1-CD1 3.6Å; L88-V106 HydrophobicContact CB-CB 4.28Å; L88-V106 HydrophobicContact CB-CG1 4.11Å; L88-V106 WeakPolarHBondContact CB-O 3.46Å; L88-V106 HydrophobicContact CD1-CG1 4.14Å; L88-V106 PolarHBondContact N-O 2.88Å; L88-R354 HydrophobicContact CD2-CG 4.03Å
89D95.4Very high94.9Very high26 Ų2636.8 Ų36.814%0.13919%0.189CC..EExtended strand (participates in β ladder)trans-154.3155.4-175-158.3-6.2000108.8Y25 R46 L87 V106Y25-D89 VanDerWaalsContact OH-CB 3.32Å; Y25-D89 WeakPolarHBondContact OH-CB 3.39Å; Y25-D89 PolarHBondContact OH-OD2 3.41Å; Y25-D89 VanDerWaalsContact OH-OD2 3.1Å; R46-D89 IonicContact NH1-OD2 3.85Å; R46-D89 IonicContact NH2-OD2 3.87Å; L87-D89 WeakPolarHBondContact CD1-O 3.34Å; D89-V106 HydrophobicContact CB-CB 3.78Å; D89-V106 HydrophobicContact CB-CG2 3.83Å; D89-V106 PolarHBondContact N-O 2.86Å; D89-V106 PolarHBondContact O-N 3.48Å
90V97.1Very high95Very high7 Ų736.6 Ų36.64%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-144.1132.6171.258.10000108.8L73 L87 F103 Y104 L105 I346 F349L73-V90 HydrophobicContact CD1-CB 4.32Å; L73-V90 HydrophobicContact CD1-CG1 4.28Å; L73-V90 HydrophobicContact CD1-CG2 3.93Å; L87-V90 HydrophobicContact CD2-CB 3.9Å; L87-V90 HydrophobicContact CD2-CG1 3.98Å; L87-V90 HydrophobicContact CG-CB 4.47Å; V90-F103 HydrophobicContact CG2-CD2 4.16Å; V90-Y104 WeakPolarHBondContact CA-O 3.47Å; V90-Y104 WeakPolarHBondContact CG2-O 3.35Å; V90-L105 HydrophobicContact CB-CD2 4.31Å; V90-L105 HydrophobicContact CG2-CD2 3.77Å; V90-I346 HydrophobicContact CG1-CG2 4.49Å; V90-I346 HydrophobicContact CG2-CD1 4.31Å; V90-I346 HydrophobicContact CG2-CG1 3.79Å; V90-I346 HydrophobicContact CG2-CG2 4.33Å; V90-F349 HydrophobicContact CG1-CB 3.49Å; V90-F349 VanDerWaalsContact CG1-CB 3.49Å; V90-F349 HydrophobicContact CG1-CD1 3.79Å; V90-F349 HydrophobicContact CG1-CD2 3.87Å; V90-F349 HydrophobicContact CG1-CG 3.42Å; V90-F349 VanDerWaalsContact CG1-CG 3.42Å
91F96.5Very high94.9Very high16 Ų1638.4 Ų38.47%0.0719%0.192CC..EExtended strand (participates in β ladder)trans-146.2157.7-177.661.4-96.2000112.1F9 L21 P22 Y25 I53 F103 Y104 V106F9-F91 AromaticContact CE1-CD2 3.77Å; F9-F91 HydrophobicContact CE1-CD2 3.77Å; F9-F91 HydrophobicContact CE1-CE2 4.18Å; F9-F91 HydrophobicContact CZ-CD2 4.31Å; L21-F91 HydrophobicContact CD2-CE2 3.93Å; L21-F91 HydrophobicContact CD2-CZ 3.57Å; P22-F91 HydrophobicContact CG-CD1 3.95Å; P22-F91 HydrophobicContact CG-CD2 3.92Å; P22-F91 HydrophobicContact CG-CE1 4.02Å; P22-F91 HydrophobicContact CG-CE2 4Å; P22-F91 HydrophobicContact CG-CG 3.9Å; P22-F91 HydrophobicContact CG-CZ 4.06Å; Y25-F91 HydrophobicContact CD2-CE1 4.06Å; Y25-F91 HydrophobicContact CD2-CZ 4.49Å; Y25-F91 HydrophobicContact CE2-CD1 4.3Å; Y25-F91 AromaticContact CE2-CE1 3.78Å; Y25-F91 HydrophobicContact CE2-CE1 3.78Å; I53-F91 HydrophobicContact CG2-CE1 4.5Å; I53-F91 HydrophobicContact CG2-CZ 4.19Å; F91-F103 CarbonylContact O-C 3.43Å; F91-F103 VanDerWaalsContact O-CA 3.32Å; F91-F103 WeakPolarHBondContact O-CA 3.27Å; F91-F103 WeakPolarHBondContact O-CB 3.41Å; F91-Y104 AromaticContact CD2-CD2 3.74Å; F91-Y104 HydrophobicContact CD2-CD2 3.74Å; F91-Y104 HydrophobicContact CD2-CG 4.09Å; F91-Y104 HydrophobicContact CE2-CD1 4.19Å; F91-Y104 AromaticContact CE2-CD2 3.28Å; F91-Y104 HydrophobicContact CE2-CD2 3.28Å; F91-Y104 HydrophobicContact CE2-CE2 4.11Å; F91-Y104 AromaticContact CE2-CG 3.35Å; F91-Y104 HydrophobicContact CE2-CG 3.35Å; F91-Y104 HydrophobicContact CZ-CD1 4.28Å; F91-Y104 HydrophobicContact CZ-CD2 4.11Å; F91-Y104 AromaticContact CZ-CG 3.67Å; F91-Y104 HydrophobicContact CZ-CG 3.67Å; F91-Y104 PolarHBondContact N-O 3.47Å; F91-Y104 VanDerWaalsContact N-O 3.1Å; F91-Y104 PolarHBondContact O-N 2.96Å; F91-V106 HydrophobicContact CD1-CG2 4.09Å; F91-V106 HydrophobicContact CE1-CG2 3.55Å
92T96.6Very high94.8Very high17 Ų1740 Ų4010%0.10420%0.201CC..  trans-127.6143.6164.9177.90000108.3A94 F100 D102 Y343 I346T92-A94 HydrophobicContact CG2-CB 3.93Å; T92-A94 PolarHBondContact O-N 3.33Å; T92-A94 VanDerWaalsContact OG1-CB 3.27Å; T92-A94 WeakPolarHBondContact OG1-CB 3.46Å; T92-A94 PolarHBondContact OG1-N 3.15Å; T92-A94 VanDerWaalsContact OG1-N 3.09Å; T92-F100 HydrophobicContact CG2-CD2 4.05Å; T92-F100 HydrophobicContact CG2-CE2 4.16Å; T92-F100 WeakPolarHBondContact OG1-CD2 3.39Å; T92-D102 VanDerWaalsContact CB-O 3.3Å; T92-D102 WeakPolarHBondContact CB-O 3.31Å; T92-D102 PolarHBondContact OG1-O 3.06Å; T92-Y343 HydrophobicContact CG2-CE2 4.18Å; T92-I346 HydrophobicContact CG2-CG2 4.39Å
93P94.5Very high94.9Very high11 Ų1138.5 Ų38.57%0.07119%0.194CC..SBendtrans-64.8-19.4168.327.5-34.9000111.5R5 F9 E20 S95 Y104R5-P93 VanDerWaalsContact CD-O 3.28Å; R5-P93 WeakPolarHBondContact CD-O 3.44Å; R5-P93 PolarHBondContact NE-O 2.52Å; R5-P93 PolarHBondContact NH1-O 3.26Å; R5-P93 PolarHBondContact NH2-O 3.4Å; R5-P93 VanDerWaalsContact NH2-O 3.1Å; F9-P93 HydrophobicContact CD1-CB 4.17Å; F9-P93 HydrophobicContact CE1-CB 4.18Å; E20-P93 HydrophobicContact CB-CB 4.2Å; E20-P93 HydrophobicContact CB-CG 4.25Å; E20-P93 HydrophobicContact CG-CB 3.75Å; E20-P93 HydrophobicContact CG-CG 4.34Å; E20-P93 VanDerWaalsContact OE1-CB 3.31Å; E20-P93 WeakPolarHBondContact OE1-CB 3.34Å; P93-S95 PolarHBondContact O-N 3.02Å; P93-Y104 HydrophobicContact CG-CE2 4.46Å
94A94Very high94.9Very high10 Ų1038.5 Ų38.58%0.08319%0.194CC..  trans-60.6133.1-17700000113.1T92 N99 F100T92-A94 HydrophobicContact CG2-CB 3.93Å; T92-A94 PolarHBondContact O-N 3.33Å; T92-A94 VanDerWaalsContact OG1-CB 3.27Å; T92-A94 WeakPolarHBondContact OG1-CB 3.46Å; T92-A94 PolarHBondContact OG1-N 3.15Å; T92-A94 VanDerWaalsContact OG1-N 3.09Å; A94-N99 VanDerWaalsContact CB-O 3.23Å; A94-N99 WeakPolarHBondContact CB-O 3.44Å; A94-F100 VanDerWaalsContact CB-CA 3.49Å; A94-F100 HydrophobicContact CB-CB 4.02Å; A94-F100 HydrophobicContact CB-CD2 4.18Å
95S91Very high94.9Very high75 Ų7538.5 Ų38.552%0.52419%0.193SC..SBendtrans-89.5-5.517959.50000113.6P93 N99P93-S95 PolarHBondContact O-N 3.02Å; S95-N99 PolarHBondContact N-OD1 3.25Å; S95-N99 VanDerWaalsContact N-OD1 3.12Å; S95-N99 PolarHBondContact OG-ND2 3.05Å
96S94.3Very high95Very high43 Ų4338.1 Ų38.130%0.30119%0.192SC..SBendtrans-161.9160.3-176.460.40000109.5R98 N99 F100 Y343S96-R98 PolarHBondContact O-N 3.26Å; S96-N99 PolarHBondContact N-OD1 3.07Å; S96-N99 PolarHBondContact O-N 2.93Å; S96-N99 PolarHBondContact O-OD1 3.09Å; S96-N99 PolarHBondContact OG-OD1 3.34Å; S96-F100 PolarHBondContact O-N 2.76Å; S96-Y343 VanDerWaalsContact CA-OH 3.29Å; S96-Y343 WeakPolarHBondContact CA-OH 3.5Å; S96-Y343 PolarHBondContact N-OH 3.42Å
97L94.8Very high95.1Very high57 Ų5738.3 Ų38.330%0.29819%0.189SC..G310 helixtrans-54.6-36.1172177.865.9000112.8N99 F100 K339 Q340 Y343L97-N99 PolarHBondContact O-N 2.96Å; L97-F100 HydrophobicContact CD1-CD1 4.33Å; L97-F100 VanDerWaalsContact O-CB 3.31Å; L97-F100 WeakPolarHBondContact O-CB 3.49Å; L97-F100 PolarHBondContact O-N 3.35Å; L97-F100 VanDerWaalsContact O-N 3.14Å; L97-K339 HydrophobicContact CD1-CG 4.16Å; L97-Q340 HydrophobicContact CD1-CG 4.25Å; L97-Q340 HydrophobicContact CD2-CG 3.63Å; L97-Y343 HydrophobicContact CB-CD1 4.04Å; L97-Y343 HydrophobicContact CB-CE1 4.16Å; L97-Y343 HydrophobicContact CB-CG 4.4Å; L97-Y343 HydrophobicContact CD1-CD1 4.24Å; L97-Y343 HydrophobicContact CD1-CG 3.96Å
98R92.2Very high95Very high219 Ų21938.3 Ų38.383%0.82619%0.189SC*.G310 helixtrans-59-32.3-178.2-168.5-177.9-60.8-173.51.5113.4S96S96-R98 PolarHBondContact O-N 3.26Å
99N92.7Very high95.1Very high45 Ų4538.4 Ų38.424%0.24119%0.188CC..G310 helixtrans-112.420-179.864.8-4.8000113.3R5 A94 S95 S96 L97 Y101R5-N99 PolarHBondContact NH1-ND2 2.94Å; A94-N99 VanDerWaalsContact CB-O 3.23Å; A94-N99 WeakPolarHBondContact CB-O 3.44Å; S95-N99 PolarHBondContact N-OD1 3.25Å; S95-N99 VanDerWaalsContact N-OD1 3.12Å; S95-N99 PolarHBondContact OG-ND2 3.05Å; S96-N99 PolarHBondContact N-OD1 3.07Å; S96-N99 PolarHBondContact O-N 2.93Å; S96-N99 PolarHBondContact O-OD1 3.09Å; S96-N99 PolarHBondContact OG-OD1 3.34Å; L97-N99 PolarHBondContact O-N 2.96Å; N99-Y101 HydrophobicContact CB-CE2 4.41Å; N99-Y101 VanDerWaalsContact O-CD2 3.32Å; N99-Y101 WeakPolarHBondContact O-CD2 3.43Å
100F95.5Very high95Very high0 Ų038.2 Ų38.20%019%0.187CC..  trans-79.3114.8175.4-178.7-140.4000110.2F60 T92 A94 S96 L97 D102 F103 K339 I342 Y343 I346F60-F100 HydrophobicContact CE1-CE1 4.19Å; F60-F100 HydrophobicContact CE2-CD1 4.24Å; F60-F100 HydrophobicContact CE2-CE1 4Å; F60-F100 HydrophobicContact CE2-CE2 4.33Å; F60-F100 HydrophobicContact CE2-CZ 4.04Å; F60-F100 AromaticContact CZ-CD1 3.97Å; F60-F100 HydrophobicContact CZ-CD1 3.97Å; F60-F100 AromaticContact CZ-CE1 3.35Å; F60-F100 HydrophobicContact CZ-CE1 3.35Å; F60-F100 HydrophobicContact CZ-CE2 4.22Å; F60-F100 AromaticContact CZ-CZ 3.49Å; F60-F100 HydrophobicContact CZ-CZ 3.49Å; F60-F100 VanDerWaalsContact CZ-CZ 3.49Å; T92-F100 HydrophobicContact CG2-CD2 4.05Å; T92-F100 HydrophobicContact CG2-CE2 4.16Å; T92-F100 WeakPolarHBondContact OG1-CD2 3.39Å; A94-F100 VanDerWaalsContact CB-CA 3.49Å; A94-F100 HydrophobicContact CB-CB 4.02Å; A94-F100 HydrophobicContact CB-CD2 4.18Å; S96-F100 PolarHBondContact O-N 2.76Å; L97-F100 HydrophobicContact CD1-CD1 4.33Å; L97-F100 VanDerWaalsContact O-CB 3.31Å; L97-F100 WeakPolarHBondContact O-CB 3.49Å; L97-F100 PolarHBondContact O-N 3.35Å; L97-F100 VanDerWaalsContact O-N 3.14Å; F100-D102 WeakPolarHBondContact CE2-O 3.32Å; F100-F103 HydrophobicContact CE2-CB 3.93Å; F100-F103 HydrophobicContact CE2-CD1 4.22Å; F100-F103 HydrophobicContact CE2-CG 4.46Å; F100-F103 HydrophobicContact CZ-CB 4.29Å; F100-F103 AromaticContact CZ-CD1 3.95Å; F100-F103 HydrophobicContact CZ-CD1 3.95Å; F100-F103 HydrophobicContact CZ-CG 4.38Å; F100-K339 HydrophobicContact CD1-CD 4.41Å; F100-K339 HydrophobicContact CD1-CG 3.59Å; F100-K339 HydrophobicContact CE1-CG 4.03Å; F100-K339 WeakPolarHBondContact O-CE 3.48Å; F100-K339 PolarHBondContact O-NZ 2.71Å; F100-I342 HydrophobicContact CE1-CB 4.22Å; F100-I342 HydrophobicContact CE1-CG2 3.83Å; F100-I342 HydrophobicContact CZ-CG2 3.68Å; F100-Y343 HydrophobicContact CB-CD2 4.01Å; F100-Y343 HydrophobicContact CB-CE2 4.35Å; F100-Y343 AromaticContact CD1-CD2 3.68Å; F100-Y343 HydrophobicContact CD1-CD2 3.68Å; F100-Y343 HydrophobicContact CD1-CG 4.13Å; F100-Y343 HydrophobicContact CD2-CD2 4.13Å; F100-Y343 HydrophobicContact CE1-CD2 4.15Å; F100-Y343 AromaticContact CG-CD2 3.68Å; F100-Y343 HydrophobicContact CG-CD2 3.68Å; F100-Y343 HydrophobicContact CG-CE2 4.36Å; F100-I346 HydrophobicContact CE2-CD1 3.96Å; F100-I346 HydrophobicContact CZ-CD1 3.6Å
101Y93.8Very high94.7Very high149 Ų14941.9 Ų41.958%0.58420%0.203SC*.  trans-136.3-31-179.4-62.1-71.6000112.8F60 N99F60-Y101 WeakPolarHBondContact CD2-O 3.46Å; F60-Y101 WeakPolarHBondContact CE2-O 3.38Å; N99-Y101 HydrophobicContact CB-CE2 4.41Å; N99-Y101 VanDerWaalsContact O-CD2 3.32Å; N99-Y101 WeakPolarHBondContact O-CD2 3.43Å
102D92.8Very high94.5Very high52 Ų5242.7 Ų42.728%0.27821%0.21SC..  trans-131150177.8-63.2-54.6000109.8T92 F100T92-D102 VanDerWaalsContact CB-O 3.3Å; T92-D102 WeakPolarHBondContact CB-O 3.31Å; T92-D102 PolarHBondContact OG1-O 3.06Å; F100-D102 WeakPolarHBondContact CE2-O 3.32Å
103F97.3Very high94.5Very high1 Ų143.2 Ų43.20%0.00421%0.212CC..  trans-140.6167.3163.966-75.5000110.5L56 P59 F60 A69 V90 F91 F100 L105 I342 I346L56-F103 HydrophobicContact CB-CE1 4.23Å; L56-F103 HydrophobicContact CB-CZ 4.38Å; L56-F103 HydrophobicContact CD2-CD2 3.94Å; L56-F103 HydrophobicContact CD2-CE1 4.35Å; L56-F103 HydrophobicContact CD2-CE2 3.58Å; L56-F103 HydrophobicContact CD2-CG 4.47Å; L56-F103 HydrophobicContact CD2-CZ 3.82Å; L56-F103 HydrophobicContact CG-CE1 3.97Å; L56-F103 HydrophobicContact CG-CE2 3.95Å; L56-F103 HydrophobicContact CG-CZ 3.62Å; L56-F103 PolarHBondContact N-O 3.49Å; P59-F103 HydrophobicContact CB-CE1 3.89Å; P59-F103 HydrophobicContact CG-CD1 4.15Å; P59-F103 HydrophobicContact CG-CE1 3.9Å; F60-F103 HydrophobicContact CZ-CD1 4.45Å; F60-F103 HydrophobicContact CZ-CE1 4.47Å; A69-F103 HydrophobicContact CB-CE1 4.22Å; A69-F103 HydrophobicContact CB-CZ 4.01Å; V90-F103 HydrophobicContact CG2-CD2 4.16Å; F91-F103 CarbonylContact O-C 3.43Å; F91-F103 VanDerWaalsContact O-CA 3.32Å; F91-F103 WeakPolarHBondContact O-CA 3.27Å; F91-F103 WeakPolarHBondContact O-CB 3.41Å; F100-F103 HydrophobicContact CE2-CB 3.93Å; F100-F103 HydrophobicContact CE2-CD1 4.22Å; F100-F103 HydrophobicContact CE2-CG 4.46Å; F100-F103 HydrophobicContact CZ-CB 4.29Å; F100-F103 AromaticContact CZ-CD1 3.95Å; F100-F103 HydrophobicContact CZ-CD1 3.95Å; F100-F103 HydrophobicContact CZ-CG 4.38Å; F103-L105 HydrophobicContact CD2-CD2 4.1Å; F103-L105 HydrophobicContact CD2-CG 4.35Å; F103-L105 HydrophobicContact CE2-CD1 4.42Å; F103-L105 HydrophobicContact CE2-CD2 3.84Å; F103-L105 HydrophobicContact CE2-CG 4.09Å; F103-I342 HydrophobicContact CD1-CG2 4.34Å; F103-I342 HydrophobicContact CE1-CG2 4.07Å; F103-I342 HydrophobicContact CZ-CG2 4.26Å; F103-I346 HydrophobicContact CB-CD1 3.6Å; F103-I346 HydrophobicContact CD1-CD1 4.44Å; F103-I346 HydrophobicContact CD2-CD1 4.02Å; F103-I346 HydrophobicContact CG-CD1 3.79Å
104Y97.9Very high94.6Very high3 Ų342.7 Ų42.71%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-131.7136.9-173.4-60.6-99.3000109.3W19 E20 L21 I53 K54 K55 V90 F91 P93W19-Y104 HydrophobicContact CD2-CE1 4.09Å; W19-Y104 AromaticContact CE3-CD1 3.79Å; W19-Y104 HydrophobicContact CE3-CD1 3.79Å; W19-Y104 AromaticContact CE3-CE1 3.44Å; W19-Y104 HydrophobicContact CE3-CE1 3.44Å; W19-Y104 VanDerWaalsContact CE3-CE1 3.44Å; W19-Y104 AromaticContact CZ3-CD1 3.87Å; W19-Y104 HydrophobicContact CZ3-CD1 3.87Å; W19-Y104 AromaticContact CZ3-CE1 3.94Å; W19-Y104 HydrophobicContact CZ3-CE1 3.94Å; E20-Y104 PolarHBondContact N-OH 2.82Å; E20-Y104 VanDerWaalsContact N-OH 3.08Å; L21-Y104 HydrophobicContact CD2-CD1 3.92Å; L21-Y104 HydrophobicContact CD2-CE1 4Å; L21-Y104 HydrophobicContact CD2-CG 4.45Å; I53-Y104 HydrophobicContact CG2-CD1 4.05Å; I53-Y104 HydrophobicContact CG2-CG 4.48Å; K54-Y104 VanDerWaalsContact O-CA 3.31Å; K54-Y104 WeakPolarHBondContact O-CA 3.49Å; K55-Y104 HydrophobicContact CB-CD1 3.74Å; K55-Y104 HydrophobicContact CB-CE1 3.57Å; K55-Y104 HydrophobicContact CD-CE1 3.75Å; K55-Y104 WeakPolarHBondContact CE-OH 3.43Å; K55-Y104 HydrophobicContact CG-CD1 3.99Å; K55-Y104 HydrophobicContact CG-CE1 3.46Å; K55-Y104 VanDerWaalsContact CG-CE1 3.46Å; V90-Y104 WeakPolarHBondContact CA-O 3.47Å; V90-Y104 WeakPolarHBondContact CG2-O 3.35Å; F91-Y104 AromaticContact CD2-CD2 3.74Å; F91-Y104 HydrophobicContact CD2-CD2 3.74Å; F91-Y104 HydrophobicContact CD2-CG 4.09Å; F91-Y104 HydrophobicContact CE2-CD1 4.19Å; F91-Y104 AromaticContact CE2-CD2 3.28Å; F91-Y104 HydrophobicContact CE2-CD2 3.28Å; F91-Y104 HydrophobicContact CE2-CE2 4.11Å; F91-Y104 AromaticContact CE2-CG 3.35Å; F91-Y104 HydrophobicContact CE2-CG 3.35Å; F91-Y104 HydrophobicContact CZ-CD1 4.28Å; F91-Y104 HydrophobicContact CZ-CD2 4.11Å; F91-Y104 AromaticContact CZ-CG 3.67Å; F91-Y104 HydrophobicContact CZ-CG 3.67Å; F91-Y104 PolarHBondContact N-O 3.47Å; F91-Y104 VanDerWaalsContact N-O 3.1Å; F91-Y104 PolarHBondContact O-N 2.96Å; P93-Y104 HydrophobicContact CG-CE2 4.46Å
105L97.4Very high94.6Very high1 Ų146.4 Ų46.41%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-107.3127175.3-57.1166.7000108.4I53 K54 L56 E72 L73 L76 L87 V90 F103I53-L105 CarbonylContact C-O 3.59Å; I53-L105 WeakPolarHBondContact CA-O 3.36Å; K54-L105 HydrophobicContact CB-CB 4.4Å; K54-L105 PolarHBondContact N-O 3.24Å; K54-L105 PolarHBondContact O-N 3.48Å; L56-L105 HydrophobicContact CD2-CD1 3.68Å; L56-L105 HydrophobicContact CD2-CG 3.81Å; E72-L105 HydrophobicContact CG-CD1 4.26Å; L73-L105 HydrophobicContact CD1-CD2 3.81Å; L76-L105 HydrophobicContact CD1-CD1 3.72Å; L76-L105 HydrophobicContact CD1-CD2 4.5Å; L76-L105 HydrophobicContact CD1-CG 4.5Å; L87-L105 HydrophobicContact CD1-CB 3.84Å; L87-L105 HydrophobicContact CD1-CD2 3.74Å; L87-L105 HydrophobicContact CD1-CG 4.37Å; L87-L105 HydrophobicContact CD2-CD2 4.42Å; V90-L105 HydrophobicContact CB-CD2 4.31Å; V90-L105 HydrophobicContact CG2-CD2 3.77Å; F103-L105 HydrophobicContact CD2-CD2 4.1Å; F103-L105 HydrophobicContact CD2-CG 4.35Å; F103-L105 HydrophobicContact CE2-CD1 4.42Å; F103-L105 HydrophobicContact CE2-CD2 3.84Å; F103-L105 HydrophobicContact CE2-CG 4.09Å
106V97Very high94.7Very high0 Ų049 Ų490%023%0.226CC..EExtended strand (participates in β ladder)trans-104.1130.3175.6-171.20000108.7Y25 V51 A52 I53 L88 D89 F91Y25-V106 HydrophobicContact CE1-CG1 4.02Å; Y25-V106 HydrophobicContact CE2-CG2 3.94Å; V51-V106 HydrophobicContact CB-CG1 3.79Å; V51-V106 HydrophobicContact CG1-CG1 4.22Å; V51-V106 HydrophobicContact CG2-CG1 3.86Å; A52-V106 CarbonylContact O-C 3.57Å; A52-V106 WeakPolarHBondContact O-CA 3.48Å; I53-V106 HydrophobicContact CG1-CG1 4.37Å; I53-V106 HydrophobicContact CG1-CG2 4.23Å; I53-V106 HydrophobicContact CG2-CG2 4.36Å; L88-V106 HydrophobicContact CB-CB 4.28Å; L88-V106 HydrophobicContact CB-CG1 4.11Å; L88-V106 WeakPolarHBondContact CB-O 3.46Å; L88-V106 HydrophobicContact CD1-CG1 4.14Å; L88-V106 PolarHBondContact N-O 2.88Å; D89-V106 HydrophobicContact CB-CB 3.78Å; D89-V106 HydrophobicContact CB-CG2 3.83Å; D89-V106 PolarHBondContact N-O 2.86Å; D89-V106 PolarHBondContact O-N 3.48Å; F91-V106 HydrophobicContact CD1-CG2 4.09Å; F91-V106 HydrophobicContact CE1-CG2 3.55Å
107M95.9Very high94.6Very high19 Ų1948 Ų489%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-136.6161.9-172.9-64.6170.4-68.100109.9A52 K54 L76 I85 F109A52-M107 PolarHBondContact N-O 2.64Å; A52-M107 PolarHBondContact O-N 3.37Å; K54-M107 HydrophobicContact CB-CE 3.68Å; K54-M107 HydrophobicContact CD-CE 4.32Å; L76-M107 HydrophobicContact CD1-SD 4.36Å; L76-M107 HydrophobicContact CD2-SD 4.39Å; I85-M107 HydrophobicContact CD1-CB 4.13Å; I85-M107 HydrophobicContact CG1-CB 4.03Å; I85-M107 HydrophobicContact CG1-CG 4.18Å; I85-M107 HydrophobicContact CG1-SD 3.99Å; M107-F109 PolarHBondContact O-N 3.43Å
108P94.2Very high94.4Very high16 Ų1646.6 Ų46.610%0.10421%0.209CC..EExtended strand (participates in β ladder)trans-48.8133.2164.6-20.627.7000112.2I85 G86 K165 R354I85-P108 HydrophobicContact CD1-CB 4.08Å; I85-P108 HydrophobicContact CD1-CG 3.95Å; G86-P108 WeakPolarHBondContact O-CD 3.47Å; P108-K165 HydrophobicContact CB-CD 4.22Å; P108-K165 HydrophobicContact CG-CD 4.39Å; P108-R354 VanDerWaalsContact CB-NH2 3.34Å; P108-R354 VanDerWaalsContact CG-NH2 3.33Å
109F95.3Very high94.2Very high40 Ų4038.6 Ų38.618%0.17520%0.196CC..  trans-77.3132.1171.9179.4-100.4000109.7V31 K50 A52 M107 Q111V31-F109 HydrophobicContact CG2-CE2 4.06Å; K50-F109 HydrophobicContact CB-CB 4.34Å; K50-F109 HydrophobicContact CB-CD1 4.42Å; K50-F109 HydrophobicContact CB-CG 4.47Å; K50-F109 HydrophobicContact CD-CD1 3.67Å; K50-F109 HydrophobicContact CD-CD2 4.5Å; K50-F109 HydrophobicContact CD-CE1 3.79Å; K50-F109 HydrophobicContact CD-CG 4.05Å; K50-F109 HydrophobicContact CD-CZ 4.28Å; K50-F109 HydrophobicContact CG-CB 4.12Å; K50-F109 HydrophobicContact CG-CD1 3.94Å; K50-F109 HydrophobicContact CG-CD2 4.36Å; K50-F109 HydrophobicContact CG-CG 3.86Å; K50-F109 VanDerWaalsContact O-CB 3.31Å; K50-F109 WeakPolarHBondContact O-CB 3.42Å; A52-F109 HydrophobicContact CB-CD2 4.37Å; M107-F109 PolarHBondContact O-N 3.43Å; F109-Q111 HydrophobicContact CE1-CG 4.26Å
110M94Very high93.9Very high21 Ų2141.6 Ų41.610%0.10321%0.209CC..  trans-122.1137.9170.1-57.8-63.4-71.500107.8T112 A157 N159 E163 K165M110-T112 PolarHBondContact O-N 2.94Å; M110-A157 HydrophobicContact CB-CB 3.61Å; M110-A157 HydrophobicContact CG-CB 3.64Å; M110-N159 HydrophobicContact CE-CB 4.13Å; M110-E163 WeakPolarHBondContact CE-O 3.46Å; M110-K165 HydrophobicContact CE-CB 4.48Å; M110-K165 HydrophobicContact CE-CG 4.2Å; M110-K165 HydrophobicContact CG-CD 4.32Å; M110-K165 HydrophobicContact SD-CD 3.81Å; M110-K165 HydrophobicContact SD-CG 4.16Å
111Q90.7Very high93.3Very high84 Ų8449.9 Ų49.939%0.39325%0.248SC..SBendtrans-64.7-41.4-169-76.576.6-30.200111.4F109 V158 N159 E160F109-Q111 HydrophobicContact CE1-CG 4.26Å; Q111-V158 PolarHBondContact N-O 3.46Å; Q111-N159 VanDerWaalsContact CD-CB 3.43Å; Q111-E160 PolarHBondContact NE2-OE1 3.41Å
112T93.6Very high93.2Very high34 Ų3444.1 Ų44.121%0.20923%0.226CC..EExtended strand (participates in β ladder)trans-150.7-173.1-175.6-165.40000110.8M110 K116 I117 A157 V158 L365M110-T112 PolarHBondContact O-N 2.94Å; T112-K116 WeakPolarHBondContact OG1-CD 3.44Å; T112-I117 HydrophobicContact CG2-CG2 4.47Å; T112-A157 CarbonylContact O-C 3.5Å; T112-A157 WeakPolarHBondContact O-CA 3.26Å; T112-V158 HydrophobicContact CG2-CG2 3.59Å; T112-V158 PolarHBondContact N-O 3.21Å; T112-V158 PolarHBondContact O-N 2.87Å; T112-V158 VanDerWaalsContact O-O 3.13Å; T112-L365 HydrophobicContact CG2-CD1 4.41Å
113D95.1Very high93.3Very high28 Ų2844.3 Ų44.315%0.1523%0.232CC..EExtended strand (participates in β ladder)trans-125.6158172.255.177000109.2Q115 K116 L156D113-Q115 PolarHBondContact O-N 3.42Å; D113-Q115 VanDerWaalsContact OD1-CB 3.27Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.15Å; D113-Q115 PolarHBondContact OD1-N 3.18Å; D113-K116 PolarHBondContact O-N 3.21Å; D113-K116 PolarHBondContact OD1-N 3Å; D113-K116 WeakPolarHBondContact OD2-CD 3.49Å; D113-K116 VanDerWaalsContact OD2-CE 3.26Å; D113-K116 WeakPolarHBondContact OD2-CE 3.42Å; D113-K116 IonicContact OD2-NZ 3.19Å; D113-K116 PolarHBondContact OD2-NZ 2.98Å; D113-L156 CarbonylContact C-O 3.54Å; D113-L156 VanDerWaalsContact CA-O 3.28Å; D113-L156 WeakPolarHBondContact CA-O 3.4Å
114L96.3Very high93.1Very high0 Ų047 Ų470%024%0.244CC..G310 helixtrans-60.5-30.1-177.4-74.2-177.5000112.3K116 I117 M118 L130 M134 P153 L156 V158 L164 M216L114-K116 PolarHBondContact O-N 3.24Å; L114-I117 HydrophobicContact CD2-CD1 3.64Å; L114-I117 HydrophobicContact CD2-CG1 4.01Å; L114-I117 CarbonylContact O-C 3.59Å; L114-I117 WeakPolarHBondContact O-CG1 3.42Å; L114-I117 PolarHBondContact O-N 3.15Å; L114-M118 HydrophobicContact CB-CE 4.3Å; L114-M118 WeakPolarHBondContact O-CG 3.36Å; L114-M118 PolarHBondContact O-N 3Å; L114-L130 HydrophobicContact CD2-CD1 4.24Å; L114-L130 HydrophobicContact CD2-CD2 4.5Å; L114-M134 HydrophobicContact CD1-CE 3.51Å; L114-P153 HydrophobicContact CB-CB 3.92Å; L114-P153 WeakPolarHBondContact CB-O 3.49Å; L114-P153 PolarHBondContact N-O 3.27Å; L114-L156 HydrophobicContact CB-CB 4.2Å; L114-L156 HydrophobicContact CD1-CB 3.63Å; L114-L156 HydrophobicContact CD1-CD1 3.67Å; L114-L156 HydrophobicContact CD1-CG 4.27Å; L114-L156 HydrophobicContact CG-CB 3.9Å; L114-L156 PolarHBondContact N-O 3.48Å; L114-V158 HydrophobicContact CD2-CB 4.47Å; L114-V158 HydrophobicContact CD2-CG1 3.63Å; L114-V158 HydrophobicContact CD2-CG2 4.05Å; L114-V158 HydrophobicContact CG-CG1 3.85Å; L114-L164 HydrophobicContact CD1-CD1 3.91Å; L114-M216 HydrophobicContact CD1-CE 3.37Å; L114-M216 HydrophobicContact CD2-CE 3.9Å; L114-M216 HydrophobicContact CG-CE 4.24Å
115Q94.8Very high93Very high87 Ų8752 Ų5241%0.40727%0.268SS..G310 helixtrans-58-34.5-179.8-175.563.277.400112.6D113 I117 P153D113-Q115 PolarHBondContact O-N 3.42Å; D113-Q115 VanDerWaalsContact OD1-CB 3.27Å; D113-Q115 WeakPolarHBondContact OD1-CB 3.15Å; D113-Q115 PolarHBondContact OD1-N 3.18Å; Q115-I117 VanDerWaalsContact C-N 3.32Å; Q115-P153 HydrophobicContact CB-CB 3.93Å; Q115-P153 PolarHBondContact N-O 3.43Å
116K92.9Very high92.9Very high130 Ų13054.1 Ų54.157%0.56528%0.277SS*.G310 helixtrans-74.9-19179-72.1165.4179.9147.10114.1T112 D113 L114T112-K116 WeakPolarHBondContact OG1-CD 3.44Å; D113-K116 PolarHBondContact O-N 3.21Å; D113-K116 PolarHBondContact OD1-N 3Å; D113-K116 WeakPolarHBondContact OD2-CD 3.49Å; D113-K116 VanDerWaalsContact OD2-CE 3.26Å; D113-K116 WeakPolarHBondContact OD2-CE 3.42Å; D113-K116 IonicContact OD2-NZ 3.19Å; D113-K116 PolarHBondContact OD2-NZ 2.98Å; L114-K116 PolarHBondContact O-N 3.24Å
117I92.6Very high92.9Very high23 Ų2354.2 Ų54.212%0.11828%0.277CS..THydrogen-bonded Turntrans-110.3-3.8178.363.3166.1000112.9T112 L114 Q115 G119 M120 F122 V158 L365T112-I117 HydrophobicContact CG2-CG2 4.47Å; L114-I117 HydrophobicContact CD2-CD1 3.64Å; L114-I117 HydrophobicContact CD2-CG1 4.01Å; L114-I117 CarbonylContact O-C 3.59Å; L114-I117 WeakPolarHBondContact O-CG1 3.42Å; L114-I117 PolarHBondContact O-N 3.15Å; Q115-I117 VanDerWaalsContact C-N 3.32Å; I117-G119 PolarHBondContact O-N 3.41Å; I117-M120 HydrophobicContact CB-SD 3.93Å; I117-M120 HydrophobicContact CG2-SD 4.09Å; I117-M120 WeakPolarHBondContact O-CB 3.39Å; I117-M120 WeakPolarHBondContact O-CG 3.45Å; I117-M120 PolarHBondContact O-N 2.92Å; I117-F122 HydrophobicContact CB-CZ 4.42Å; I117-F122 HydrophobicContact CD1-CE1 3.87Å; I117-F122 HydrophobicContact CD1-CZ 3.67Å; I117-F122 HydrophobicContact CG1-CZ 3.9Å; I117-V158 HydrophobicContact CD1-CG2 4.24Å; I117-L365 HydrophobicContact CD1-CD1 4.46Å; I117-L365 HydrophobicContact CD1-CD2 3.67Å
118M91.6Very high92.9Very high26 Ų2654.3 Ų54.313%0.12828%0.277CS..THydrogen-bonded Turntrans-58.7135.7169-75.2-48.5-175.800110.6L114 P153 I212 E215 M216L114-M118 HydrophobicContact CB-CE 4.3Å; L114-M118 WeakPolarHBondContact O-CG 3.36Å; L114-M118 PolarHBondContact O-N 3Å; M118-P153 HydrophobicContact CE-CB 3.75Å; M118-P153 HydrophobicContact CE-CG 3.41Å; M118-P153 VanDerWaalsContact CE-CG 3.41Å; M118-P153 HydrophobicContact CG-CB 3.83Å; M118-P153 HydrophobicContact CG-CG 3.93Å; M118-P153 HydrophobicContact SD-CG 4.48Å; M118-I212 HydrophobicContact CE-CG2 3.74Å; M118-E215 HydrophobicContact CG-CG 4.5Å; M118-E215 HydrophobicContact SD-CG 4.01Å; M118-M216 HydrophobicContact CE-CE 4.01Å; M118-M216 HydrophobicContact CE-CG 3.95Å; M118-M216 HydrophobicContact SD-CG 4.18Å
119G86.1Confident93Very high52 Ų5254.6 Ų54.654%0.53628%0.277SS..THydrogen-bonded Turntrans95.7-12.8-174.300000114.3I117I117-G119 PolarHBondContact O-N 3.41Å
120M87.7Confident93.1Very high107 Ų10752.7 Ų52.753%0.52727%0.268SS..SBendtrans-74.2156.2164.6-60.9179.366.100110.4I117 F122I117-M120 HydrophobicContact CB-SD 3.93Å; I117-M120 HydrophobicContact CG2-SD 4.09Å; I117-M120 WeakPolarHBondContact O-CB 3.39Å; I117-M120 WeakPolarHBondContact O-CG 3.45Å; I117-M120 PolarHBondContact O-N 2.92Å; M120-F122 VanDerWaalsContact O-CD2 3.29Å; M120-F122 WeakPolarHBondContact O-CD2 3.34Å
121E82.8Confident93.3Very high175 Ų17551.7 Ų51.782%0.81826%0.263SS*.PPolyproline II helixtrans-76.8122.9173-66.6-169.8157.600110.2
122F91.9Very high93.7Very high27 Ų2747.8 Ų47.812%0.11825%0.245CC..PPolyproline II helixtrans-99.5135.5171.4-67.8-99.5000109.2I117 M120 K126 I127 L130 M216I117-F122 HydrophobicContact CB-CZ 4.42Å; I117-F122 HydrophobicContact CD1-CE1 3.87Å; I117-F122 HydrophobicContact CD1-CZ 3.67Å; I117-F122 HydrophobicContact CG1-CZ 3.9Å; M120-F122 VanDerWaalsContact O-CD2 3.29Å; M120-F122 WeakPolarHBondContact O-CD2 3.34Å; F122-K126 HydrophobicContact CD1-CB 4.34Å; F122-I127 HydrophobicContact CB-CD1 3.91Å; F122-I127 HydrophobicContact CB-CG1 3.57Å; F122-I127 HydrophobicContact CG-CG1 4.41Å; F122-L130 HydrophobicContact CD1-CD1 4.03Å; F122-L130 HydrophobicContact CE1-CD1 3.8Å; F122-M216 HydrophobicContact CD2-CB 4.27Å; F122-M216 HydrophobicContact CD2-CG 4.4Å; F122-M216 HydrophobicContact CE2-CG 4.47Å; F122-M216 HydrophobicContact CG-CB 4.45Å
123S94.1Very high93.9Very high57 Ų5746.3 Ų46.340%0.39924%0.236SC..PPolyproline II helixtrans-67.3149.5163.963.90000109.2E125 K126 I127S123-E125 PolarHBondContact O-N 3.13Å; S123-K126 WeakPolarHBondContact O-CB 3.23Å; S123-K126 PolarHBondContact O-N 3.26Å; S123-K126 WeakPolarHBondContact OG-CG 3.36Å; S123-K126 PolarHBondContact OG-N 2.68Å; S123-I127 WeakPolarHBondContact O-CG1 3.49Å; S123-I127 PolarHBondContact O-N 3.49Å
124E94.2Very high94.1Very high58 Ų5845 Ų4527%0.27123%0.229SC..Hα-helixtrans-56.6-36177.7-169.2171.8144.800111.7K126 I127 Q128 S278 F307E124-K126 PolarHBondContact O-N 2.91Å; E124-I127 CarbonylContact O-C 3.57Å; E124-I127 WeakPolarHBondContact O-CB 3.4Å; E124-I127 PolarHBondContact O-N 3.06Å; E124-I127 VanDerWaalsContact O-N 3.11Å; E124-Q128 WeakPolarHBondContact O-CG 3.49Å; E124-Q128 PolarHBondContact O-N 3.39Å; E124-S278 WeakPolarHBondContact OE1-CB 3.37Å; E124-S278 PolarHBondContact OE1-OG 2.77Å; E124-S278 WeakPolarHBondContact OE2-CB 3.32Å; E124-S278 PolarHBondContact OE2-N 3.44Å; E124-F307 HydrophobicContact CG-CE2 3.8Å; E124-F307 HydrophobicContact CG-CZ 4.12Å; E124-F307 WeakPolarHBondContact OE1-CE2 3.37Å
125E95.1Very high94.2Very high108 Ų10845 Ų4551%0.50523%0.229SC..Hα-helixtrans-57.3-45.1173.7-154.4-160.615600112.6S123 I127 Q128 Y129 F311 M363S123-E125 PolarHBondContact O-N 3.13Å; E125-I127 VanDerWaalsContact C-N 3.34Å; E125-I127 PolarHBondContact O-N 2.86Å; E125-Q128 WeakPolarHBondContact O-CB 3.41Å; E125-Q128 PolarHBondContact O-N 3.17Å; E125-Y129 PolarHBondContact O-N 2.82Å; E125-F311 HydrophobicContact CG-CE2 4.19Å; E125-F311 HydrophobicContact CG-CZ 3.76Å; E125-M363 HydrophobicContact CB-CE 4.03Å; E125-M363 HydrophobicContact CG-CE 3.36Å; E125-M363 WeakPolarHBondContact O-CE 3.46Å; E125-M363 WeakPolarHBondContact OE1-CE 3.32Å
126K95.1Very high94.4Very high45 Ų4541 Ų4120%0.19621%0.21CC..Hα-helixtrans-64.9-38.7174.3-76.6179.6179.5-173.40111.6F122 S123 E124 Y129 L130 M363 K364 L365F122-K126 HydrophobicContact CD1-CB 4.34Å; S123-K126 WeakPolarHBondContact O-CB 3.23Å; S123-K126 PolarHBondContact O-N 3.26Å; S123-K126 WeakPolarHBondContact OG-CG 3.36Å; S123-K126 PolarHBondContact OG-N 2.68Å; E124-K126 PolarHBondContact O-N 2.91Å; K126-Y129 PolarHBondContact O-N 2.81Å; K126-L130 WeakPolarHBondContact O-CB 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.13Å; K126-L130 PolarHBondContact O-N 3.17Å; K126-M363 HydrophobicContact CG-SD 4.39Å; K126-K364 WeakPolarHBondContact CE-O 3.46Å; K126-K364 PolarHBondContact NZ-O 3.2Å; K126-L365 PolarHBondContact NZ-OXT 3.13Å
127I96.2Very high94.7Very high1 Ų134.8 Ų34.81%0.00518%0.183CC..Hα-helixtrans-64.4-46.4177.4-59.6177.8000110F122 S123 E124 E125 Y129 L130 V131 M213 M216 L217 F307F122-I127 HydrophobicContact CB-CD1 3.91Å; F122-I127 HydrophobicContact CB-CG1 3.57Å; F122-I127 HydrophobicContact CG-CG1 4.41Å; S123-I127 WeakPolarHBondContact O-CG1 3.49Å; S123-I127 PolarHBondContact O-N 3.49Å; E124-I127 CarbonylContact O-C 3.57Å; E124-I127 WeakPolarHBondContact O-CB 3.4Å; E124-I127 PolarHBondContact O-N 3.06Å; E124-I127 VanDerWaalsContact O-N 3.11Å; E125-I127 VanDerWaalsContact C-N 3.34Å; E125-I127 PolarHBondContact O-N 2.86Å; I127-Y129 VanDerWaalsContact C-N 3.33Å; I127-Y129 PolarHBondContact O-N 3.44Å; I127-L130 PolarHBondContact O-N 2.9Å; I127-V131 HydrophobicContact CG2-CG2 3.99Å; I127-V131 VanDerWaalsContact O-CB 3.3Å; I127-V131 WeakPolarHBondContact O-CB 3.21Å; I127-V131 WeakPolarHBondContact O-CG2 3.3Å; I127-V131 PolarHBondContact O-N 3.19Å; I127-M213 HydrophobicContact CG2-CG 4.02Å; I127-M216 HydrophobicContact CD1-CB 3.89Å; I127-M216 HydrophobicContact CG1-CB 3.91Å; I127-M216 HydrophobicContact CG2-CB 4.41Å; I127-M216 HydrophobicContact CG2-SD 4.38Å; I127-L217 HydrophobicContact CD1-CB 4.42Å; I127-L217 HydrophobicContact CD1-CD2 3.63Å; I127-L217 HydrophobicContact CD1-CG 3.77Å; I127-F307 HydrophobicContact CG2-CZ 4.39Å
128Q97Very high94.9Very high21 Ų2133.7 Ų33.710%0.09818%0.177CC..Hα-helixtrans-52.8-52.2174.4-73171.9-24.200110.5E124 E125 Y132 F307 F308 F311E124-Q128 WeakPolarHBondContact O-CG 3.49Å; E124-Q128 PolarHBondContact O-N 3.39Å; E125-Q128 WeakPolarHBondContact O-CB 3.41Å; E125-Q128 PolarHBondContact O-N 3.17Å; Q128-Y132 WeakPolarHBondContact O-CB 3.44Å; Q128-Y132 PolarHBondContact O-N 3.15Å; Q128-F307 HydrophobicContact CB-CE1 4.19Å; Q128-F307 HydrophobicContact CB-CZ 4.27Å; Q128-F307 HydrophobicContact CG-CD1 3.96Å; Q128-F307 HydrophobicContact CG-CD2 3.97Å; Q128-F307 HydrophobicContact CG-CE1 3.5Å; Q128-F307 HydrophobicContact CG-CE2 3.48Å; Q128-F307 VanDerWaalsContact CG-CE2 3.48Å; Q128-F307 HydrophobicContact CG-CG 4.19Å; Q128-F307 HydrophobicContact CG-CZ 3.25Å; Q128-F307 WeakPolarHBondContact CG-O 3.27Å; Q128-F307 PolarHBondContact NE2-O 2.72Å; Q128-F307 VanDerWaalsContact NE2-O 3.07Å; Q128-F308 WeakPolarHBondContact O-CE1 3.21Å; Q128-F311 HydrophobicContact CB-CD2 3.83Å; Q128-F311 HydrophobicContact CB-CE2 3.69Å
129Y96.9Very high95.3Very high23 Ų2334.1 Ų34.19%0.0918%0.178CC..Hα-helixtrans-66.8-42.4-176.5-171.7-120.9000113.7E125 K126 I127 Q133 C162 F311 S361 M363E125-Y129 PolarHBondContact O-N 2.82Å; K126-Y129 PolarHBondContact O-N 2.81Å; I127-Y129 VanDerWaalsContact C-N 3.33Å; I127-Y129 PolarHBondContact O-N 3.44Å; Y129-Q133 VanDerWaalsContact CD1-NE2 3.3Å; Y129-Q133 WeakPolarHBondContact O-CG 3.47Å; Y129-Q133 PolarHBondContact O-N 3.21Å; Y129-Q133 PolarHBondContact O-NE2 3.48Å; Y129-C162 HydrophobicContact CD1-CB 3.86Å; Y129-C162 HydrophobicContact CE1-CB 4.01Å; Y129-C162 WeakPolarHBondContact CE1-O 3.43Å; Y129-F311 HydrophobicContact CD2-CB 4.42Å; Y129-F311 AromaticContact CD2-CD1 3.63Å; Y129-F311 HydrophobicContact CD2-CD1 3.63Å; Y129-F311 HydrophobicContact CD2-CE1 4.11Å; Y129-F311 AromaticContact CD2-CG 3.95Å; Y129-F311 HydrophobicContact CD2-CG 3.95Å; Y129-F311 HydrophobicContact CE2-CD1 4.34Å; Y129-F311 HydrophobicContact CG-CD1 4.39Å; Y129-F311 HydrophobicContact CG-CE1 4.48Å; Y129-S361 WeakPolarHBondContact CE1-OG 3.29Å; Y129-S361 VanDerWaalsContact CZ-CB 3.45Å; Y129-M363 HydrophobicContact CD1-SD 3.71Å; Y129-M363 HydrophobicContact CG-SD 3.85Å
130L97.4Very high95.9Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-68.3-45178.5-72.1168.4000111.7L114 F122 K126 I127 Q133 M134 V158 C162 L164 M216L114-L130 HydrophobicContact CD2-CD1 4.24Å; L114-L130 HydrophobicContact CD2-CD2 4.5Å; F122-L130 HydrophobicContact CD1-CD1 4.03Å; F122-L130 HydrophobicContact CE1-CD1 3.8Å; K126-L130 WeakPolarHBondContact O-CB 3.27Å; K126-L130 WeakPolarHBondContact O-CG 3.13Å; K126-L130 PolarHBondContact O-N 3.17Å; I127-L130 PolarHBondContact O-N 2.9Å; L130-Q133 PolarHBondContact O-N 3.31Å; L130-M134 HydrophobicContact CB-CE 4.22Å; L130-M134 WeakPolarHBondContact O-CG 3.13Å; L130-M134 PolarHBondContact O-N 3.36Å; L130-V158 HydrophobicContact CD2-CG1 4.04Å; L130-C162 HydrophobicContact CD2-CB 4.46Å; L130-L164 HydrophobicContact CD2-CB 4.35Å; L130-L164 HydrophobicContact CD2-CD1 4.12Å; L130-M216 HydrophobicContact CB-CE 4.23Å; L130-M216 HydrophobicContact CD1-CE 3.89Å; L130-M216 HydrophobicContact CD1-SD 4.41Å
131V98.3Very high96.3Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-68.6-37.3179.2178.90000110.7I127 Q133 M134 L135 V209 M213 M216 M288 F308I127-V131 HydrophobicContact CG2-CG2 3.99Å; I127-V131 VanDerWaalsContact O-CB 3.3Å; I127-V131 WeakPolarHBondContact O-CB 3.21Å; I127-V131 WeakPolarHBondContact O-CG2 3.3Å; I127-V131 PolarHBondContact O-N 3.19Å; V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.35Å; V131-M134 HydrophobicContact CG2-CE 4.5Å; V131-M134 WeakPolarHBondContact O-CB 3.46Å; V131-M134 PolarHBondContact O-N 3.11Å; V131-L135 HydrophobicContact CG1-CD1 4.04Å; V131-L135 HydrophobicContact CG1-CG 4.35Å; V131-L135 WeakPolarHBondContact O-CG 3.5Å; V131-L135 PolarHBondContact O-N 3.47Å; V131-V209 HydrophobicContact CG1-CG1 3.78Å; V131-M213 HydrophobicContact CG1-SD 4.39Å; V131-M213 HydrophobicContact CG2-CB 3.97Å; V131-M213 HydrophobicContact CG2-CG 4.08Å; V131-M213 HydrophobicContact CG2-SD 4.46Å; V131-M216 HydrophobicContact CG2-SD 4.46Å; V131-M288 HydrophobicContact CG1-CE 4.39Å; V131-F308 HydrophobicContact CB-CE1 4.03Å; V131-F308 HydrophobicContact CB-CZ 4.24Å; V131-F308 HydrophobicContact CG1-CE1 4Å; V131-F308 HydrophobicContact CG1-CZ 3.68Å
132Y98.4Very high97Very high1 Ų119.6 Ų19.60%0.00410%0.095CC..Hα-helixtrans-56.3-48.3173.3-177.6-115.5000111.4Q128 M134 L135 K136 L303 F308 F311 R312 D313 E317Q128-Y132 WeakPolarHBondContact O-CB 3.44Å; Q128-Y132 PolarHBondContact O-N 3.15Å; Y132-M134 PolarHBondContact O-N 3.47Å; Y132-L135 PolarHBondContact O-N 3.2Å; Y132-K136 HydrophobicContact CD1-CD 4.22Å; Y132-K136 HydrophobicContact CD1-CG 4.39Å; Y132-K136 HydrophobicContact CE1-CD 3.56Å; Y132-K136 VanDerWaalsContact CE1-CE 3.47Å; Y132-K136 HydrophobicContact CE1-CG 4.02Å; Y132-K136 HydrophobicContact CE2-CG 4.29Å; Y132-K136 WeakPolarHBondContact O-CG 3.42Å; Y132-K136 PolarHBondContact O-N 3.47Å; Y132-L303 HydrophobicContact CD2-CD2 3.5Å; Y132-L303 HydrophobicContact CE2-CD2 3.33Å; Y132-F308 HydrophobicContact CD2-CB 3.84Å; Y132-F308 HydrophobicContact CD2-CD1 4.12Å; Y132-F308 HydrophobicContact CD2-CD2 4.46Å; Y132-F308 AromaticContact CD2-CG 3.89Å; Y132-F308 HydrophobicContact CD2-CG 3.89Å; Y132-F308 HydrophobicContact CE2-CB 4.4Å; Y132-F308 HydrophobicContact CG-CD1 4.38Å; Y132-F311 HydrophobicContact CD1-CB 4.16Å; Y132-R312 HydrophobicContact CE2-CB 4.35Å; Y132-R312 HydrophobicContact CE2-CG 4.08Å; Y132-D313 PolarHBondContact OH-N 2.93Å; Y132-D313 PolarHBondContact OH-O 3.45Å; Y132-E317 WeakPolarHBondContact OH-CG 3.4Å; Y132-E317 PolarHBondContact OH-OE1 3.48Å
133Q98.3Very high97.3Very high3 Ų320.2 Ų20.21%0.01410%0.103CC..Hα-helixtrans-63.4-38.4176.6-73.5177.886.500113.2N83 Y129 L130 V131 L135 K136 G137 C162 L164N83-Q133 VanDerWaalsContact CB-O 3.29Å; N83-Q133 WeakPolarHBondContact CB-O 3.36Å; N83-Q133 WeakPolarHBondContact ND2-CB 3.43Å; N83-Q133 WeakPolarHBondContact ND2-CG 3.02Å; N83-Q133 PolarHBondContact ND2-OE1 3Å; Y129-Q133 VanDerWaalsContact CD1-NE2 3.3Å; Y129-Q133 WeakPolarHBondContact O-CG 3.47Å; Y129-Q133 PolarHBondContact O-N 3.21Å; Y129-Q133 PolarHBondContact O-NE2 3.48Å; L130-Q133 PolarHBondContact O-N 3.31Å; V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-Q133 PolarHBondContact O-N 3.35Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; Q133-K136 PolarHBondContact O-N 3.38Å; Q133-G137 PolarHBondContact O-N 3.29Å; Q133-C162 PolarHBondContact NE2-O 3.44Å; Q133-L164 HydrophobicContact CB-CB 4.03Å; Q133-L164 HydrophobicContact CB-CD2 4.45Å
134M98.6Very high97.4Very high0 Ų017.6 Ų17.60%08%0.084CC..Hα-helixtrans-59.8-46.2172.9-66.5176.3-146.400111.1L114 L130 V131 Y132 G137 L138 L156 L164 V209 I212 M216L114-M134 HydrophobicContact CD1-CE 3.51Å; L130-M134 HydrophobicContact CB-CE 4.22Å; L130-M134 WeakPolarHBondContact O-CG 3.13Å; L130-M134 PolarHBondContact O-N 3.36Å; V131-M134 HydrophobicContact CG2-CE 4.5Å; V131-M134 WeakPolarHBondContact O-CB 3.46Å; V131-M134 PolarHBondContact O-N 3.11Å; Y132-M134 PolarHBondContact O-N 3.47Å; M134-G137 PolarHBondContact O-N 3.25Å; M134-L138 WeakPolarHBondContact O-CB 3.41Å; M134-L138 WeakPolarHBondContact O-CG 3.23Å; M134-L138 PolarHBondContact O-N 3.22Å; M134-L156 HydrophobicContact CE-CD1 3.88Å; M134-L156 HydrophobicContact CG-CD1 4.28Å; M134-L156 HydrophobicContact CG-CD2 4.02Å; M134-L156 HydrophobicContact SD-CD1 3.69Å; M134-L156 HydrophobicContact SD-CD2 4.48Å; M134-L164 HydrophobicContact CE-CD1 3.74Å; M134-L164 HydrophobicContact CG-CD1 3.73Å; M134-L164 HydrophobicContact CG-CD2 3.99Å; M134-V209 HydrophobicContact CB-CG2 4.48Å; M134-I212 HydrophobicContact CE-CG2 3.84Å; M134-I212 HydrophobicContact SD-CG2 4.05Å; M134-M216 HydrophobicContact CE-CE 3.67Å; M134-M216 HydrophobicContact CE-SD 4.46Å
135L98.8Very high97.3Very high0 Ų017.6 Ų17.60%010%0.1CC..Hα-helixtrans-69.2-38.1-178.9-67.4170.8000112.1V131 Y132 Q133 L138 K139 I206 V209 A302 L303 F308V131-L135 HydrophobicContact CG1-CD1 4.04Å; V131-L135 HydrophobicContact CG1-CG 4.35Å; V131-L135 WeakPolarHBondContact O-CG 3.5Å; V131-L135 PolarHBondContact O-N 3.47Å; Y132-L135 PolarHBondContact O-N 3.2Å; Q133-L135 VanDerWaalsContact C-N 3.34Å; L135-L138 PolarHBondContact O-N 3.31Å; L135-K139 WeakPolarHBondContact O-CB 3.07Å; L135-K139 PolarHBondContact O-N 2.67Å; L135-I206 HydrophobicContact CD2-CD1 3.88Å; L135-V209 HydrophobicContact CD2-CG1 4.19Å; L135-V209 HydrophobicContact CD2-CG2 4.49Å; L135-V209 HydrophobicContact CG-CG1 4.47Å; L135-A302 HydrophobicContact CD1-CB 3.74Å; L135-A302 HydrophobicContact CD2-CB 3.92Å; L135-A302 HydrophobicContact CG-CB 4.45Å; L135-L303 HydrophobicContact CB-CD2 3.73Å; L135-L303 HydrophobicContact CB-CG 3.91Å; L135-F308 HydrophobicContact CD1-CD2 4.43Å; L135-F308 HydrophobicContact CD1-CE1 4.5Å; L135-F308 HydrophobicContact CD1-CE2 3.4Å; L135-F308 HydrophobicContact CD1-CZ 3.44Å; L135-F308 VanDerWaalsContact CD1-CZ 3.44Å
136K98.2Very high97.3Very high4 Ų412.6 Ų12.62%0.0178%0.077CC..Hα-helixtrans-57.5-51.6171.3-76.1-159.4-68.7172.30110.8E82 N83 Y132 Q133 L138 K139 Y140 L303 E316 E317E82-K136 IonicContact OE1-NZ 3.78Å; E82-K136 PolarHBondContact OE1-NZ 3.27Å; N83-K136 VanDerWaalsContact OD1-CE 3.27Å; N83-K136 WeakPolarHBondContact OD1-CE 3.43Å; Y132-K136 HydrophobicContact CD1-CD 4.22Å; Y132-K136 HydrophobicContact CD1-CG 4.39Å; Y132-K136 HydrophobicContact CE1-CD 3.56Å; Y132-K136 VanDerWaalsContact CE1-CE 3.47Å; Y132-K136 HydrophobicContact CE1-CG 4.02Å; Y132-K136 HydrophobicContact CE2-CG 4.29Å; Y132-K136 WeakPolarHBondContact O-CG 3.42Å; Y132-K136 PolarHBondContact O-N 3.47Å; Q133-K136 PolarHBondContact O-N 3.38Å; K136-L138 PolarHBondContact O-N 3.24Å; K136-K139 PolarHBondContact O-N 3.33Å; K136-Y140 PolarHBondContact O-N 2.95Å; K136-Y140 VanDerWaalsContact O-N 3.16Å; K136-L303 HydrophobicContact CG-CD2 3.83Å; K136-E316 HydrophobicContact CD-CB 4.09Å; K136-E316 IonicContact NZ-OE2 3.73Å; K136-E316 PolarHBondContact NZ-OE2 3.1Å; K136-E317 HydrophobicContact CD-CG 4.31Å; K136-E317 HydrophobicContact CG-CG 4.19Å
137G98.4Very high97.1Very high0 Ų011.1 Ų11.10%07%0.071CC..Hα-helixtrans-60.5-41.9177.500000113.1Q133 M134 Y140 I141Q133-G137 PolarHBondContact O-N 3.29Å; M134-G137 PolarHBondContact O-N 3.25Å; G137-Y140 PolarHBondContact O-N 3.38Å; G137-I141 VanDerWaalsContact O-CG1 3.28Å; G137-I141 WeakPolarHBondContact O-CG1 3.46Å; G137-I141 PolarHBondContact O-N 3.25Å
138L98.6Very high97Very high0 Ų011 Ų110%07%0.071CC..Hα-helixtrans-67.4-40.7176.7-76.4177000112.6M134 L135 K136 Y140 I141 H142 H148 L151 I166 D205 I206 V209 A299M134-L138 WeakPolarHBondContact O-CB 3.41Å; M134-L138 WeakPolarHBondContact O-CG 3.23Å; M134-L138 PolarHBondContact O-N 3.22Å; L135-L138 PolarHBondContact O-N 3.31Å; K136-L138 PolarHBondContact O-N 3.24Å; L138-Y140 VanDerWaalsContact C-N 3.26Å; L138-Y140 PolarHBondContact O-N 2.85Å; L138-I141 PolarHBondContact O-N 2.99Å; L138-H142 WeakPolarHBondContact O-CB 3.32Å; L138-H142 PolarHBondContact O-CD2 3.37Å; L138-H142 PolarHBondContact O-N 3.34Å; L138-H148 HydrophobicContact CD2-CB 4.43Å; L138-L151 HydrophobicContact CD1-CD2 4.12Å; L138-I166 HydrophobicContact CD2-CD1 4.26Å; L138-I166 HydrophobicContact CG-CD1 4.06Å; L138-D205 HydrophobicContact CD1-CB 3.94Å; L138-D205 HydrophobicContact CD2-CB 3.82Å; L138-I206 HydrophobicContact CD1-CD1 4.23Å; L138-V209 HydrophobicContact CD1-CG2 3.51Å; L138-A299 HydrophobicContact CB-CB 4.01Å
139K98.5Very high96.7Very high34 Ų3411.9 Ų11.915%0.1487%0.073CC..Hα-helixtrans-53.7-47.6173.7177.3-175.6176.4-176.70110.3L135 K136 H142 S143 A299 A300 L303 E317 E319L135-K139 WeakPolarHBondContact O-CB 3.07Å; L135-K139 PolarHBondContact O-N 2.67Å; K136-K139 PolarHBondContact O-N 3.33Å; K139-H142 PolarHBondContact O-N 3.43Å; K139-S143 WeakPolarHBondContact O-CB 3.48Å; K139-S143 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-OG 2.94Å; K139-A299 HydrophobicContact CB-CB 4.06Å; K139-A300 HydrophobicContact CD-CB 4.42Å; K139-A300 HydrophobicContact CG-CB 4.45Å; K139-L303 HydrophobicContact CB-CD1 3.93Å; K139-L303 HydrophobicContact CD-CD1 3.64Å; K139-L303 HydrophobicContact CG-CD1 4.36Å; K139-E317 HydrophobicContact CD-CB 4.23Å; K139-E317 VanDerWaalsContact CE-O 3.27Å; K139-E317 WeakPolarHBondContact CE-O 3.47Å; K139-E317 PolarHBondContact NZ-O 3.3Å; K139-E319 HydrophobicContact CG-CG 4.49Å
140Y98.4Very high96.4Very high17 Ų1712.3 Ų12.37%0.0678%0.077CC..Hα-helixtrans-61.1-52.1177.1-174.6-88.7000112.3M79 Q80 H81 V84 K136 G137 L138 H142 S143 A144 A320M79-Y140 HydrophobicContact CB-CE1 4.37Å; M79-Y140 HydrophobicContact SD-CD1 4Å; M79-Y140 HydrophobicContact SD-CE1 3.65Å; Q80-Y140 PolarHBondContact N-OH 2.8Å; Q80-Y140 PolarHBondContact O-OH 3.5Å; H81-Y140 HydrophobicContact CB-CD1 3.66Å; H81-Y140 HydrophobicContact CB-CD2 3.94Å; H81-Y140 HydrophobicContact CB-CE1 3.88Å; H81-Y140 HydrophobicContact CB-CE2 4.13Å; H81-Y140 HydrophobicContact CB-CG 3.68Å; H81-Y140 AromaticContact CD2-CD2 3.46Å; H81-Y140 VanDerWaalsContact CD2-CD2 3.46Å; H81-Y140 WeakPolarHBondContact CD2-CD2 3.43Å; H81-Y140 AromaticContact CD2-CG 3.58Å; H81-Y140 AromaticContact CG-CD2 3.97Å; H81-Y140 AromaticContact CG-CG 3.74Å; V84-Y140 HydrophobicContact CG2-CD1 4.39Å; K136-Y140 PolarHBondContact O-N 2.95Å; K136-Y140 VanDerWaalsContact O-N 3.16Å; G137-Y140 PolarHBondContact O-N 3.38Å; L138-Y140 VanDerWaalsContact C-N 3.26Å; L138-Y140 PolarHBondContact O-N 2.85Å; Y140-H142 VanDerWaalsContact C-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.29Å; Y140-S143 PolarHBondContact O-N 3.42Å; Y140-S143 PolarHBondContact O-OG 2.98Å; Y140-A144 PolarHBondContact O-N 3.42Å; Y140-A320 HydrophobicContact CE1-CB 4.33Å; Y140-A320 HydrophobicContact CE2-CB 4.22Å
141I97.7Very high96.3Very high0 Ų012.3 Ų12.30%08%0.077CC..Hα-helixtrans-59-44.2179.5-68.4167.8000111.4M79 V84 G137 L138 A144 V146 I166 F169M79-I141 HydrophobicContact SD-CG1 4.48Å; V84-I141 HydrophobicContact CG1-CD1 3.99Å; V84-I141 HydrophobicContact CG1-CG1 4.11Å; V84-I141 HydrophobicContact CG2-CD1 3.8Å; V84-I141 HydrophobicContact CG2-CG1 3.79Å; G137-I141 VanDerWaalsContact O-CG1 3.28Å; G137-I141 WeakPolarHBondContact O-CG1 3.46Å; G137-I141 PolarHBondContact O-N 3.25Å; L138-I141 PolarHBondContact O-N 2.99Å; I141-A144 WeakPolarHBondContact O-CB 3.37Å; I141-A144 PolarHBondContact O-N 3.12Å; I141-V146 CarbonylContact C-O 3.51Å; I141-V146 HydrophobicContact CG2-CB 3.72Å; I141-V146 HydrophobicContact CG2-CG1 3.77Å; I141-V146 WeakPolarHBondContact CG2-O 3.21Å; I141-V146 PolarHBondContact O-N 3.16Å; I141-I166 HydrophobicContact CD1-CB 4.37Å; I141-I166 HydrophobicContact CD1-CD1 4.02Å; I141-I166 HydrophobicContact CD1-CG2 4Å; I141-F169 HydrophobicContact CD1-CB 4.08Å; I141-F169 HydrophobicContact CD1-CD1 4.39Å; I141-F169 HydrophobicContact CD1-CG 4.12Å
142H97.3Very high96.2Very high12 Ų1214.4 Ų14.46%0.0569%0.086CC..Hα-helixtrans-65.7-40.5-179.5-72.8-178000111.8L138 K139 Y140 A144 G145 V146 Q202 D205L138-H142 WeakPolarHBondContact O-CB 3.32Å; L138-H142 PolarHBondContact O-CD2 3.37Å; L138-H142 PolarHBondContact O-N 3.34Å; K139-H142 PolarHBondContact O-N 3.43Å; Y140-H142 VanDerWaalsContact C-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.29Å; H142-A144 PolarHBondContact O-N 2.98Å; H142-G145 PolarHBondContact O-N 3.49Å; H142-V146 PolarHBondContact CD2-O 3.31Å; H142-Q202 PolarHBondContact CE1-O 3.17Å; H142-Q202 PolarHBondContact NE2-O 3.46Å; H142-D205 IonicContact CD2-OD2 3.43Å; H142-D205 IonicContact CE1-OD2 2.57Å; H142-D205 IonicContact NE2-OD2 3.21Å; H142-D205 PolarHBondContact NE2-OD2 3.44Å
143S97.2Very high96.1Very high41 Ų4114.3 Ų14.329%0.2879%0.086SC..Hα-helixtrans-62.9-25.1175.370.90000113.3K139 Y140 G145 E319 A320K139-S143 WeakPolarHBondContact O-CB 3.48Å; K139-S143 PolarHBondContact O-N 2.95Å; K139-S143 PolarHBondContact O-OG 2.94Å; Y140-S143 PolarHBondContact O-N 3.42Å; Y140-S143 PolarHBondContact O-OG 2.98Å; S143-G145 VanDerWaalsContact C-N 3.25Å; S143-G145 PolarHBondContact O-N 3.38Å; S143-E319 WeakPolarHBondContact OG-CA 3.39Å; S143-E319 WeakPolarHBondContact OG-CB 3.37Å; S143-A320 PolarHBondContact OG-N 3.28Å
144A96.1Very high95.8Very high2 Ų215.4 Ų15.42%0.01710%0.098CC..THydrogen-bonded Turntrans-80.2-0.817200000113.5M79 Y140 I141 H142 V146 A320 F324M79-A144 HydrophobicContact CE-CB 4.14Å; Y140-A144 PolarHBondContact O-N 3.42Å; I141-A144 WeakPolarHBondContact O-CB 3.37Å; I141-A144 PolarHBondContact O-N 3.12Å; H142-A144 PolarHBondContact O-N 2.98Å; A144-V146 VanDerWaalsContact C-N 3.3Å; A144-V146 HydrophobicContact CB-CG2 4.41Å; A144-A320 HydrophobicContact CB-CB 3.68Å; A144-F324 HydrophobicContact CB-CB 4.31Å; A144-F324 WeakPolarHBondContact O-CB 3.31Å; A144-F324 PolarHBondContact O-N 3.35Å
145G93.4Very high95.7Very high58 Ų5816 Ų1660%0.59810%0.101SC*.THydrogen-bonded Turntrans77.912.2-174.600000114.3H142 S143H142-G145 PolarHBondContact O-N 3.49Å; S143-G145 VanDerWaalsContact C-N 3.25Å; S143-G145 PolarHBondContact O-N 3.38Å
146V93.4Very high95.6Very high2 Ų216 Ų161%0.01210%0.101CC..  trans-95.8142.6178.4-1790000109.6L75 M79 I141 H142 A144 F169 F324L75-V146 HydrophobicContact CD2-CG1 4.05Å; L75-V146 HydrophobicContact CD2-CG2 3.86Å; M79-V146 HydrophobicContact CE-CB 4.11Å; M79-V146 HydrophobicContact CE-CG1 4.48Å; M79-V146 HydrophobicContact CE-CG2 3.74Å; I141-V146 CarbonylContact C-O 3.51Å; I141-V146 HydrophobicContact CG2-CB 3.72Å; I141-V146 HydrophobicContact CG2-CG1 3.77Å; I141-V146 WeakPolarHBondContact CG2-O 3.21Å; I141-V146 PolarHBondContact O-N 3.16Å; H142-V146 PolarHBondContact CD2-O 3.31Å; A144-V146 VanDerWaalsContact C-N 3.3Å; A144-V146 HydrophobicContact CB-CG2 4.41Å; V146-F169 HydrophobicContact CG1-CD2 4.34Å; V146-F324 HydrophobicContact CG2-CB 3.64Å; V146-F324 HydrophobicContact CG2-CD1 3.74Å; V146-F324 HydrophobicContact CG2-CG 3.84Å
147V92.6Very high95.6Very high14 Ų1416 Ų169%0.08510%0.102CC..  trans-121.7133.9173.7-173.70000107.8R149 G170 Q202 V204 D205V147-R149 HydrophobicContact CB-CG 4Å; V147-R149 HydrophobicContact CG1-CG 3.6Å; V147-G170 WeakPolarHBondContact O-CA 3.4Å; V147-Q202 HydrophobicContact CG2-CB 4Å; V147-V204 HydrophobicContact CG1-CG2 3.46Å; V147-V204 VanDerWaalsContact CG1-CG2 3.46Å; V147-D205 WeakPolarHBondContact CG1-OD2 3.33Å
148H93.8Very high95.5Very high0 Ų016 Ų160%010%0.102CC..  trans-69.5-50-176.5-172.9-56.6000111.8L138 D150 L151 I166 L167 F169 D205L138-H148 HydrophobicContact CD2-CB 4.43Å; H148-D150 PolarHBondContact CE1-O 3.36Å; H148-D150 VanDerWaalsContact CE1-O 3.24Å; H148-D150 PolarHBondContact ND1-N 2.84Å; H148-D150 PolarHBondContact O-N 3.43Å; H148-L151 VanDerWaalsContact CD2-CD1 3.49Å; H148-L151 WeakPolarHBondContact CD2-CD1 3.4Å; H148-L151 PolarHBondContact CE1-N 2.95Å; H148-L151 PolarHBondContact ND1-N 3.22Å; H148-L151 VanDerWaalsContact ND1-N 3.11Å; H148-I166 VanDerWaalsContact CD2-CG2 3.43Å; H148-I166 WeakPolarHBondContact CD2-CG2 3.28Å; H148-L167 PolarHBondContact NE2-O 3.5Å; H148-F169 HydrophobicContact CB-CB 4.37Å; H148-D205 WeakPolarHBondContact CB-OD1 3.32Å; H148-D205 WeakPolarHBondContact CB-OD2 3.48Å; H148-D205 PolarHBondContact N-OD1 2.97Å; H148-D205 PolarHBondContact N-OD2 3.11Å
149R90.7Very high95.2Very high38 Ų3816.6 Ų16.614%0.14311%0.105CC..SBendtrans67.7-21.9176.7-54.6176.8-176.9-161.3-8.5117.3V147 A172 Y200 V204 D205V147-R149 HydrophobicContact CB-CG 4Å; V147-R149 HydrophobicContact CG1-CG 3.6Å; R149-A172 HydrophobicContact CB-CB 3.86Å; R149-Y200 HydrophobicContact CG-CE2 4.43Å; R149-Y200 VanDerWaalsContact CZ-CE2 3.41Å; R149-Y200 PolarHBondContact NH1-OH 3.3Å; R149-V204 HydrophobicContact CG-CG2 4.44Å; R149-D205 PolarHBondContact N-OD1 2.67Å
150D90.4Very high94.7Very high32 Ų3220.4 Ų20.417%0.17112%0.123CC..  trans-124.439.4175.2-165.351.3000112.7H148 K152 N155 A172 R189H148-D150 PolarHBondContact CE1-O 3.36Å; H148-D150 VanDerWaalsContact CE1-O 3.24Å; H148-D150 PolarHBondContact ND1-N 2.84Å; H148-D150 PolarHBondContact O-N 3.43Å; D150-K152 PolarHBondContact O-N 2.88Å; D150-K152 IonicContact OD1-NZ 3.77Å; D150-K152 WeakPolarHBondContact OD2-CE 3.43Å; D150-K152 IonicContact OD2-NZ 3.87Å; D150-K152 PolarHBondContact OD2-NZ 3.01Å; D150-N155 PolarHBondContact O-ND2 3.41Å; D150-A172 HydrophobicContact CB-CB 3.97Å; D150-R189 IonicContact OD1-NH2 3.97Å
151L95.4Very high94.3Very high1 Ų122 Ų221%0.00513%0.133CC..  trans-70.5127.2-179.4-165.278.2000109.4L138 H148 L156 I166 Y188 S208 V209 I212L138-L151 HydrophobicContact CD1-CD2 4.12Å; H148-L151 VanDerWaalsContact CD2-CD1 3.49Å; H148-L151 WeakPolarHBondContact CD2-CD1 3.4Å; H148-L151 PolarHBondContact CE1-N 2.95Å; H148-L151 PolarHBondContact ND1-N 3.22Å; H148-L151 VanDerWaalsContact ND1-N 3.11Å; L151-L156 HydrophobicContact CD1-CD2 3.98Å; L151-L156 HydrophobicContact CD1-CG 4.47Å; L151-I166 HydrophobicContact CD1-CG2 4.08Å; L151-Y188 VanDerWaalsContact O-CB 3.31Å; L151-Y188 WeakPolarHBondContact O-CB 3.27Å; L151-S208 WeakPolarHBondContact O-CB 3.45Å; L151-V209 HydrophobicContact CD2-CG2 3.63Å; L151-I212 HydrophobicContact CD2-CD1 4.14Å; L151-I212 HydrophobicContact CG-CD1 4.14Å
152K95.2Very high94Very high43 Ų4322 Ų2219%0.18713%0.133CC..  trans-159.1163.3-177.963.8-163.2179.2-156.20109.1D150 G154 N155 Y188D150-K152 PolarHBondContact O-N 2.88Å; D150-K152 IonicContact OD1-NZ 3.77Å; D150-K152 WeakPolarHBondContact OD2-CE 3.43Å; D150-K152 IonicContact OD2-NZ 3.87Å; D150-K152 PolarHBondContact OD2-NZ 3.01Å; K152-G154 PolarHBondContact O-N 2.84Å; K152-N155 HydrophobicContact CG-CB 4.34Å; K152-N155 PolarHBondContact O-N 3.5Å; K152-Y188 HydrophobicContact CB-CD2 3.53Å; K152-Y188 HydrophobicContact CB-CE2 3.95Å; K152-Y188 HydrophobicContact CB-CG 4.02Å
153P96.3Very high93.9Very high0 Ų024 Ų240%014%0.142CC..G310 helixtrans-54.1-33.2-177-31.440.2000114.4L114 Q115 M118 N155 L156 Y188 I212L114-P153 HydrophobicContact CB-CB 3.92Å; L114-P153 WeakPolarHBondContact CB-O 3.49Å; L114-P153 PolarHBondContact N-O 3.27Å; Q115-P153 HydrophobicContact CB-CB 3.93Å; Q115-P153 PolarHBondContact N-O 3.43Å; M118-P153 HydrophobicContact CE-CB 3.75Å; M118-P153 HydrophobicContact CE-CG 3.41Å; M118-P153 VanDerWaalsContact CE-CG 3.41Å; M118-P153 HydrophobicContact CG-CB 3.83Å; M118-P153 HydrophobicContact CG-CG 3.93Å; M118-P153 HydrophobicContact SD-CG 4.48Å; P153-N155 PolarHBondContact O-N 3Å; P153-L156 PolarHBondContact O-N 3.23Å; P153-Y188 VanDerWaalsContact CD-CE1 3.48Å; P153-Y188 WeakPolarHBondContact CD-OH 3.49Å; P153-Y188 HydrophobicContact CG-CE1 3.85Å; P153-Y188 HydrophobicContact CG-CE2 4.44Å; P153-Y188 WeakPolarHBondContact CG-OH 3.5Å; P153-I212 HydrophobicContact CG-CG1 4.18Å
154G93.8Very high93.9Very high25 Ų2522 Ų2226%0.25813%0.128SC..G310 helixtrans-69.9-16.5178.100000114.4K152K152-G154 PolarHBondContact O-N 2.84Å
155N95.7Very high94Very high12 Ų1222.9 Ų22.96%0.06413%0.132CC..G310 helixtrans-99.913.3177.1-69.3-12.6000112.1D150 K152 P153 L167D150-N155 PolarHBondContact O-ND2 3.41Å; K152-N155 HydrophobicContact CG-CB 4.34Å; K152-N155 PolarHBondContact O-N 3.5Å; P153-N155 PolarHBondContact O-N 3Å; N155-L167 PolarHBondContact O-N 2.81Å
156L97.6Very high94.2Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-12294.3180-66170.1000108.2D113 L114 M134 L151 P153 L164 I166 I212D113-L156 CarbonylContact C-O 3.54Å; D113-L156 VanDerWaalsContact CA-O 3.28Å; D113-L156 WeakPolarHBondContact CA-O 3.4Å; L114-L156 HydrophobicContact CB-CB 4.2Å; L114-L156 HydrophobicContact CD1-CB 3.63Å; L114-L156 HydrophobicContact CD1-CD1 3.67Å; L114-L156 HydrophobicContact CD1-CG 4.27Å; L114-L156 HydrophobicContact CG-CB 3.9Å; L114-L156 PolarHBondContact N-O 3.48Å; M134-L156 HydrophobicContact CE-CD1 3.88Å; M134-L156 HydrophobicContact CG-CD1 4.28Å; M134-L156 HydrophobicContact CG-CD2 4.02Å; M134-L156 HydrophobicContact SD-CD1 3.69Å; M134-L156 HydrophobicContact SD-CD2 4.48Å; L151-L156 HydrophobicContact CD1-CD2 3.98Å; L151-L156 HydrophobicContact CD1-CG 4.47Å; P153-L156 PolarHBondContact O-N 3.23Å; L156-L164 HydrophobicContact CB-CD1 4.21Å; L156-L164 HydrophobicContact CD2-CD1 4.25Å; L156-L164 HydrophobicContact CD2-CD2 3.95Å; L156-L164 HydrophobicContact CD2-CG 4.45Å; L156-I166 HydrophobicContact CD2-CG1 3.91Å; L156-I212 HydrophobicContact CD1-CD1 3.63Å; L156-I212 HydrophobicContact CD1-CG2 4.28Å
157A96.7Very high94.3Very high5 Ų522 Ų224%0.04111%0.113CC..EExtended strand (participates in β ladder)trans-76.8138.2179.900000110.5M110 T112 L164 K165 L167M110-A157 HydrophobicContact CB-CB 3.61Å; M110-A157 HydrophobicContact CG-CB 3.64Å; T112-A157 CarbonylContact O-C 3.5Å; T112-A157 WeakPolarHBondContact O-CA 3.26Å; A157-L164 CarbonylContact O-C 3.56Å; A157-L164 VanDerWaalsContact O-CA 3.31Å; A157-L164 WeakPolarHBondContact O-CA 3.35Å; A157-K165 PolarHBondContact N-O 3.06Å; A157-K165 PolarHBondContact O-N 3.42Å; A157-L167 HydrophobicContact CB-CD1 4Å; A157-L167 HydrophobicContact CB-CD2 3.84Å; A157-L167 HydrophobicContact CB-CG 3.98Å
158V96.1Very high94.2Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-136154.5-179.3-64.50000112.8Q111 T112 L114 I117 L130 E163 L164 L365Q111-V158 PolarHBondContact N-O 3.46Å; T112-V158 HydrophobicContact CG2-CG2 3.59Å; T112-V158 PolarHBondContact N-O 3.21Å; T112-V158 PolarHBondContact O-N 2.87Å; T112-V158 VanDerWaalsContact O-O 3.13Å; L114-V158 HydrophobicContact CD2-CB 4.47Å; L114-V158 HydrophobicContact CD2-CG1 3.63Å; L114-V158 HydrophobicContact CD2-CG2 4.05Å; L114-V158 HydrophobicContact CG-CG1 3.85Å; I117-V158 HydrophobicContact CD1-CG2 4.24Å; L130-V158 HydrophobicContact CD2-CG1 4.04Å; V158-E163 WeakPolarHBondContact CA-O 3.5Å; V158-L164 HydrophobicContact CG1-CB 4.1Å; V158-L164 HydrophobicContact CG1-CD1 4.07Å; V158-L164 HydrophobicContact CG1-CG 4.14Å; V158-L365 HydrophobicContact CB-CD1 4.04Å; V158-L365 HydrophobicContact CG2-CD1 3.65Å
159N92.2Very high93.9Very high13 Ų1324.4 Ų24.47%0.0713%0.125CC..  trans-118.9173175.370.612.3000112.4M110 Q111 D161 C162 E163 L365M110-N159 HydrophobicContact CE-CB 4.13Å; Q111-N159 VanDerWaalsContact CD-CB 3.43Å; N159-D161 PolarHBondContact O-N 3.05Å; N159-D161 PolarHBondContact OD1-N 3.17Å; N159-D161 VanDerWaalsContact OD1-N 3.15Å; N159-C162 PolarHBondContact O-N 3.43Å; N159-C162 PolarHBondContact OD1-N 2.87Å; N159-E163 PolarHBondContact N-O 2.95Å; N159-E163 PolarHBondContact ND2-OE2 3.37Å; N159-E163 VanDerWaalsContact OD1-CB 3.28Å; N159-E163 WeakPolarHBondContact OD1-CB 3.45Å; N159-E163 PolarHBondContact OD1-N 2.72Å; N159-L365 WeakPolarHBondContact O-CD1 3.38Å; N159-L365 WeakPolarHBondContact O-CG 3.33Å
160E89.2Confident93.5Very high114 Ų11422.7 Ų22.753%0.53312%0.12SC..THydrogen-bonded Turntrans-58-21.6-176.669.4-166.6131.900114.4Q111 C162 K364 L365Q111-E160 PolarHBondContact NE2-OE1 3.41Å; E160-C162 VanDerWaalsContact C-N 3.32Å; E160-K364 CarbonylContact O-C 3.6Å; E160-K364 WeakPolarHBondContact O-CA 3.5Å; E160-L365 PolarHBondContact O-N 2.91Å
161D89.2Confident93Very high49 Ų4921.5 Ų21.526%0.26211%0.113SC..THydrogen-bonded Turntrans-9315.5179-60.7-50.1000112.8N159 E163 S361 M363N159-D161 PolarHBondContact O-N 3.05Å; N159-D161 PolarHBondContact OD1-N 3.17Å; N159-D161 VanDerWaalsContact OD1-N 3.15Å; D161-E163 HydrophobicContact CB-CG 4.37Å; D161-E163 PolarHBondContact O-N 2.71Å; D161-S361 PolarHBondContact O-OG 3.28Å; D161-M363 CarbonylContact C-O 3.39Å; D161-M363 WeakPolarHBondContact CA-O 3.15Å
162C92.2Very high91.5Very high0 Ų022.1 Ų22.10%012%0.119CC..  trans58.920.6-175.1-63.10000114.4Y129 L130 Q133 N159 E160 M363Y129-C162 HydrophobicContact CD1-CB 3.86Å; Y129-C162 HydrophobicContact CE1-CB 4.01Å; Y129-C162 WeakPolarHBondContact CE1-O 3.43Å; L130-C162 HydrophobicContact CD2-CB 4.46Å; Q133-C162 PolarHBondContact NE2-O 3.44Å; N159-C162 PolarHBondContact O-N 3.43Å; N159-C162 PolarHBondContact OD1-N 2.87Å; E160-C162 VanDerWaalsContact C-N 3.32Å; C162-M363 HydrophobicContact CB-CB 4.23Å
163E94.4Very high90Very high54 Ų5423.9 Ų23.925%0.25212%0.124SC..  trans-72.8138.2171.1-54.8177.3158.900109.3M110 V158 N159 D161M110-E163 WeakPolarHBondContact CE-O 3.46Å; V158-E163 WeakPolarHBondContact CA-O 3.5Å; N159-E163 PolarHBondContact N-O 2.95Å; N159-E163 PolarHBondContact ND2-OE2 3.37Å; N159-E163 VanDerWaalsContact OD1-CB 3.28Å; N159-E163 WeakPolarHBondContact OD1-CB 3.45Å; N159-E163 PolarHBondContact OD1-N 2.72Å; D161-E163 HydrophobicContact CB-CG 4.37Å; D161-E163 PolarHBondContact O-N 2.71Å
164L97.5Very high88.1Confident0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-120.8138.1-175.4-178.5148.6000111.3N83 L114 L130 Q133 M134 L156 A157 V158 I166N83-L164 VanDerWaalsContact CA-O 3.27Å; N83-L164 WeakPolarHBondContact CA-O 3.24Å; N83-L164 PolarHBondContact ND2-O 3.19Å; L114-L164 HydrophobicContact CD1-CD1 3.91Å; L130-L164 HydrophobicContact CD2-CB 4.35Å; L130-L164 HydrophobicContact CD2-CD1 4.12Å; Q133-L164 HydrophobicContact CB-CB 4.03Å; Q133-L164 HydrophobicContact CB-CD2 4.45Å; M134-L164 HydrophobicContact CE-CD1 3.74Å; M134-L164 HydrophobicContact CG-CD1 3.73Å; M134-L164 HydrophobicContact CG-CD2 3.99Å; L156-L164 HydrophobicContact CB-CD1 4.21Å; L156-L164 HydrophobicContact CD2-CD1 4.25Å; L156-L164 HydrophobicContact CD2-CD2 3.95Å; L156-L164 HydrophobicContact CD2-CG 4.45Å; A157-L164 CarbonylContact O-C 3.56Å; A157-L164 VanDerWaalsContact O-CA 3.31Å; A157-L164 WeakPolarHBondContact O-CA 3.35Å; V158-L164 HydrophobicContact CG1-CB 4.1Å; V158-L164 HydrophobicContact CG1-CD1 4.07Å; V158-L164 HydrophobicContact CG1-CG 4.14Å; L164-I166 HydrophobicContact CD2-CG1 4.19Å
165K97.9Very high86Confident21 Ų2124.6 Ų24.69%0.09112%0.123CC..EExtended strand (participates in β ladder)trans-128.9128.9169.4-67.1-177.1-170.7-70.60111.2E82 N83 I85 P108 M110 A157E82-K165 WeakPolarHBondContact O-CG 3.47Å; E82-K165 PolarHBondContact O-NZ 3.14Å; N83-K165 WeakPolarHBondContact O-CA 3.43Å; I85-K165 HydrophobicContact CD1-CB 4.44Å; I85-K165 HydrophobicContact CD1-CD 3.79Å; P108-K165 HydrophobicContact CB-CD 4.22Å; P108-K165 HydrophobicContact CG-CD 4.39Å; M110-K165 HydrophobicContact CE-CB 4.48Å; M110-K165 HydrophobicContact CE-CG 4.2Å; M110-K165 HydrophobicContact CG-CD 4.32Å; M110-K165 HydrophobicContact SD-CD 3.81Å; M110-K165 HydrophobicContact SD-CG 4.16Å; A157-K165 PolarHBondContact N-O 3.06Å; A157-K165 PolarHBondContact O-N 3.42Å
166I98.2Very high83.8Confident0 Ų027.9 Ų27.90%014%0.141CC..EExtended strand (participates in β ladder)trans-72.5130.5173.4-61.3172.4000109.5N83 I85 L138 I141 H148 L151 L156 L164 F169N83-I166 WeakPolarHBondContact O-CG1 3.49Å; N83-I166 PolarHBondContact O-N 3.41Å; I85-I166 WeakPolarHBondContact CB-O 3.35Å; I85-I166 VanDerWaalsContact CG2-O 3.31Å; I85-I166 WeakPolarHBondContact CG2-O 3.47Å; I85-I166 PolarHBondContact N-O 2.98Å; L138-I166 HydrophobicContact CD2-CD1 4.26Å; L138-I166 HydrophobicContact CG-CD1 4.06Å; I141-I166 HydrophobicContact CD1-CB 4.37Å; I141-I166 HydrophobicContact CD1-CD1 4.02Å; I141-I166 HydrophobicContact CD1-CG2 4Å; H148-I166 VanDerWaalsContact CD2-CG2 3.43Å; H148-I166 WeakPolarHBondContact CD2-CG2 3.28Å; L151-I166 HydrophobicContact CD1-CG2 4.08Å; L156-I166 HydrophobicContact CD2-CG1 3.91Å; L164-I166 HydrophobicContact CD2-CG1 4.19Å; I166-F169 HydrophobicContact CG2-CB 4.43Å; I166-F169 HydrophobicContact CG2-CD1 4.44Å
167L95.4Very high81.2Confident41 Ų4131.7 Ų31.722%0.21517%0.172CC..  trans-107.4167.3178-50.5-175000111.5I85 H148 N155 A157 F169I85-L167 HydrophobicContact CB-CD2 3.76Å; I85-L167 HydrophobicContact CD1-CD2 4.33Å; I85-L167 HydrophobicContact CG1-CD2 4.02Å; I85-L167 HydrophobicContact CG2-CD2 3.83Å; H148-L167 PolarHBondContact NE2-O 3.5Å; N155-L167 PolarHBondContact O-N 2.81Å; A157-L167 HydrophobicContact CB-CD1 4Å; A157-L167 HydrophobicContact CB-CD2 3.84Å; A157-L167 HydrophobicContact CB-CG 3.98Å; L167-F169 PolarHBondContact O-N 3.11Å
168D90.3Very high78.6Confident59 Ų5935.8 Ų35.832%0.31619%0.19SC..SBendtrans51.522164.3-72.38000116.9K54 L171K54-D168 IonicContact NZ-OD1 2.99Å; D168-L171 HydrophobicContact CB-CD1 4.32Å
169F88.2Confident76Confident6 Ų637.9 Ų37.93%0.02620%0.201CC..THydrogen-bonded Turntrans-64.5144.2179.954.5-89.4000111.7L75 M79 V84 I85 I141 V146 H148 I166 L167 L171L75-F169 HydrophobicContact CB-CD2 4.37Å; L75-F169 HydrophobicContact CB-CE2 3.67Å; L75-F169 HydrophobicContact CB-CZ 4.31Å; L75-F169 HydrophobicContact CD1-CD2 4.49Å; L75-F169 WeakPolarHBondContact CD1-O 3.34Å; L75-F169 HydrophobicContact CD2-CD2 4.23Å; L75-F169 HydrophobicContact CD2-CE2 4.03Å; L75-F169 HydrophobicContact CG-CE2 4.3Å; M79-F169 HydrophobicContact CB-CE2 4.37Å; M79-F169 HydrophobicContact CB-CZ 3.94Å; M79-F169 HydrophobicContact CE-CD2 4.24Å; M79-F169 HydrophobicContact CE-CE2 3.81Å; M79-F169 HydrophobicContact CG-CD2 4.33Å; M79-F169 HydrophobicContact CG-CE1 4.36Å; M79-F169 HydrophobicContact CG-CE2 3.27Å; M79-F169 HydrophobicContact CG-CZ 3.32Å; M79-F169 HydrophobicContact SD-CE2 4.3Å; V84-F169 HydrophobicContact CG1-CD1 3.87Å; V84-F169 HydrophobicContact CG1-CE1 3.39Å; V84-F169 HydrophobicContact CG1-CE2 4.5Å; V84-F169 HydrophobicContact CG1-CZ 3.78Å; I85-F169 HydrophobicContact CG2-CE1 3.99Å; I141-F169 HydrophobicContact CD1-CB 4.08Å; I141-F169 HydrophobicContact CD1-CD1 4.39Å; I141-F169 HydrophobicContact CD1-CG 4.12Å; V146-F169 HydrophobicContact CG1-CD2 4.34Å; H148-F169 HydrophobicContact CB-CB 4.37Å; I166-F169 HydrophobicContact CG2-CB 4.43Å; I166-F169 HydrophobicContact CG2-CD1 4.44Å; L167-F169 PolarHBondContact O-N 3.11Å; F169-L171 PolarHBondContact O-N 3.05Å
170G81.9Confident73.3Confident2 Ų243.6 Ų43.62%0.02124%0.236CC..THydrogen-bonded Turntrans73.92.1173.200000116.2R71 V147R71-G170 PolarHBondContact NE-O 2.92Å; V147-G170 WeakPolarHBondContact O-CA 3.4Å
171L79.4Confident70.8Confident6 Ų640.8 Ų40.83%0.03124%0.237CC..  trans-91.8-20-176-60-178.1000114.4E72 L75 D168 F169 R173 H174E72-L171 HydrophobicContact CB-CD1 4.37Å; E72-L171 HydrophobicContact CB-CD2 3.92Å; E72-L171 HydrophobicContact CG-CD1 4.24Å; L75-L171 HydrophobicContact CD1-CD2 4.16Å; D168-L171 HydrophobicContact CB-CD1 4.32Å; F169-L171 PolarHBondContact O-N 3.05Å; L171-R173 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact O-N 3.15Å; L171-H174 PolarHBondContact O-N 2.99Å
172A64.9Low68.3Low15 Ų1547.2 Ų47.212%0.12426%0.259CS..G310 helixtrans-62.3-26-172.500000114.2R149 D150 H174 A175R149-A172 HydrophobicContact CB-CB 3.86Å; D150-A172 HydrophobicContact CB-CB 3.97Å; A172-H174 PolarHBondContact O-N 3.19Å; A172-A175 PolarHBondContact O-N 3.29Å
173R63.8Low66.2Low79 Ų7953.6 Ų53.630%0.29830%0.298SS..G310 helixtrans-48.7-35175.9-78.6-175.9-159-146.59.5113L171 E329L171-R173 PolarHBondContact O-N 3.44Å; L171-R173 VanDerWaalsContact O-N 3.15Å; R173-E329 WeakPolarHBondContact CD-OE1 3.31Å; R173-E329 IonicContact CZ-OE1 2.66Å; R173-E329 IonicContact NE-OE1 2.77Å; R173-E329 PolarHBondContact NE-OE1 3.42Å; R173-E329 IonicContact NH1-OE1 3.86Å; R173-E329 PolarHBondContact NH1-OE1 2.78Å; R173-E329 IonicContact NH1-OE2 3.72Å
174H55.4Low64.7Low27 Ų2753.3 Ų53.313%0.12530%0.3CS..G310 helixtrans-93.5-13.5-174.2-61.382.1000112.9K67 R71 L171 A172K67-H174 WeakPolarHBondContact CE-NE2 3.46Å; R71-H174 VanDerWaalsContact CD-CE1 3.44Å; R71-H174 WeakPolarHBondContact CD-CE1 3.45Å; L171-H174 PolarHBondContact O-N 2.99Å; A172-H174 PolarHBondContact O-N 3.19Å
175A48.9Very low63.5Low14 Ų1456 Ų5612%0.11632%0.316CS..THydrogen-bonded Turntrans-79.9-35.7179.800000111.7A172 A177 E178 M179A172-A175 PolarHBondContact O-N 3.29Å; A175-A177 PolarHBondContact O-N 3.25Å; A175-E178 PolarHBondContact O-N 3.35Å; A175-M179 HydrophobicContact CB-CG 4.34Å; A175-M179 WeakPolarHBondContact O-CG 3.42Å; A175-M179 PolarHBondContact O-N 3.46Å
176D49.6Very low62.8Low81 Ų8156 Ų5643%0.43332%0.316SS..THydrogen-bonded Turntrans-61.6-23.3-172.8-71.8-30000113.8E178 M179 R189D176-E178 VanDerWaalsContact C-N 3.29Å; D176-E178 PolarHBondContact O-N 2.78Å; D176-M179 PolarHBondContact O-N 3.23Å; D176-R189 IonicContact OD1-NH1 3.84Å
177A43.7Very low62.6Low79 Ų7959.2 Ų59.265%0.65333%0.328SS*.THydrogen-bonded Turntrans-67.7-24172.900000113.9A175A175-A177 PolarHBondContact O-N 3.25Å
178E43.2Very low62.6Low92 Ų9257.5 Ų57.543%0.4332%0.319SS..THydrogen-bonded Turntrans-99.3-7.9178.5-68.4-171.8159.100113A175 D176 T180A175-E178 PolarHBondContact O-N 3.35Å; D176-E178 VanDerWaalsContact C-N 3.29Å; D176-E178 PolarHBondContact O-N 2.78Å; E178-T180 VanDerWaalsContact C-N 3.31Å; E178-T180 PolarHBondContact O-N 3.11Å
179M41.1Very low62.7Low44 Ų4455.7 Ų55.722%0.21731%0.307CS..  trans-96.120.6-162.1-64.3-97.4-76.100113.9A175 D176 G181 V184 R189A175-M179 HydrophobicContact CB-CG 4.34Å; A175-M179 WeakPolarHBondContact O-CG 3.42Å; A175-M179 PolarHBondContact O-N 3.46Å; D176-M179 PolarHBondContact O-N 3.23Å; M179-G181 VanDerWaalsContact C-N 3.34Å; M179-G181 PolarHBondContact O-N 3.42Å; M179-V184 HydrophobicContact CE-CB 3.25Å; M179-V184 HydrophobicContact CE-CG1 3.65Å; M179-V184 HydrophobicContact CE-CG2 3.33Å; M179-V184 HydrophobicContact SD-CB 3.84Å; M179-V184 HydrophobicContact SD-CG2 3.2Å; M179-V184 WeakPolarHBondContact SD-CG2 3.39Å; M179-R189 VanDerWaalsContact CE-NH2 3.35Å
180T34.9Very low62.8Low133 Ų13355.5 Ų55.582%0.81631%0.306SS*.  trans-65.193166.455.30000109.2E178E178-T180 VanDerWaalsContact C-N 3.31Å; E178-T180 PolarHBondContact O-N 3.11Å
181G35.9Very low63.1Low54 Ų5455.4 Ų55.456%0.55731%0.306SS*.SBendtrans115.7101.1170.300000114.8M179 V183M179-G181 VanDerWaalsContact C-N 3.34Å; M179-G181 PolarHBondContact O-N 3.42Å; G181-V183 PolarHBondContact O-N 3.07Å
182Y37.9Very low63.4Low185 Ų18555.2 Ų55.273%0.72531%0.305SS*.SBendtrans66.7-7140.4-125.5-95.7000123
183V48.7Very low64.2Low133 Ų13355.6 Ų55.681%0.80631%0.305SS*.  trans-115.41.2-164.3-169.30000117.3G181G181-V183 PolarHBondContact O-N 3.07Å
184V62.6Low64.7Low48 Ų4852.6 Ų52.629%0.29130%0.295SS..SBendtrans-119.8135.9177.7-179.40000114.2M179 R186M179-V184 HydrophobicContact CE-CB 3.25Å; M179-V184 HydrophobicContact CE-CG1 3.65Å; M179-V184 HydrophobicContact CE-CG2 3.33Å; M179-V184 HydrophobicContact SD-CB 3.84Å; M179-V184 HydrophobicContact SD-CG2 3.2Å; M179-V184 WeakPolarHBondContact SD-CG2 3.39Å; V184-R186 PolarHBondContact O-N 3.4Å; V184-R186 VanDerWaalsContact O-N 3.13Å
185T70.9Confident65.3Low57 Ų5752.9 Ų52.935%0.3530%0.298SS..  trans-54.7110.7177.1-500000111.2W187 Y188T185-W187 HydrophobicContact CG2-CB 4.05Å; T185-W187 HydrophobicContact CG2-CD2 3.58Å; T185-W187 HydrophobicContact CG2-CE3 3.6Å; T185-W187 HydrophobicContact CG2-CG 3.8Å; T185-W187 HydrophobicContact CG2-CZ3 4.27Å; T185-Y188 HydrophobicContact CG2-CD2 4.38Å; T185-Y188 HydrophobicContact CG2-CE2 4.16Å
186R84.9Confident66.3Low22 Ų2257 Ų578%0.08333%0.325CS..  trans-93.9-2.2178.167.7-173.569.485.1-1114.2V184 Y188 R189 G225 K226 Q231V184-R186 PolarHBondContact O-N 3.4Å; V184-R186 VanDerWaalsContact O-N 3.13Å; R186-Y188 PolarHBondContact O-N 3.36Å; R186-Y188 VanDerWaalsContact O-N 3.13Å; R186-R189 WeakPolarHBondContact O-CB 3.34Å; R186-R189 PolarHBondContact O-N 2.94Å; R186-G225 PolarHBondContact NH1-O 3.15Å; R186-K226 PolarHBondContact NH1-O 3.13Å; R186-Q231 HydrophobicContact CG-CB 4.28Å; R186-Q231 HydrophobicContact CG-CG 4.05Å
187W93.7Very high67Low66 Ų6653.2 Ų53.225%0.2531%0.305CS..THydrogen-bonded Turntrans-62.1-24.9-165.4-57-21.9000115T185 T221 F223 K224 G225 Q231T185-W187 HydrophobicContact CG2-CB 4.05Å; T185-W187 HydrophobicContact CG2-CD2 3.58Å; T185-W187 HydrophobicContact CG2-CE3 3.6Å; T185-W187 HydrophobicContact CG2-CG 3.8Å; T185-W187 HydrophobicContact CG2-CZ3 4.27Å; W187-T221 HydrophobicContact CB-CG2 3.9Å; W187-T221 HydrophobicContact CD2-CG2 4.06Å; W187-T221 HydrophobicContact CE3-CG2 3.67Å; W187-T221 HydrophobicContact CG-CG2 4.19Å; W187-F223 WeakPolarHBondContact CA-O 3.49Å; W187-F223 WeakPolarHBondContact CB-O 3.28Å; W187-K224 HydrophobicContact CD2-CG 4.25Å; W187-K224 HydrophobicContact CH2-CD 4.33Å; W187-K224 HydrophobicContact CH2-CG 4.15Å; W187-K224 HydrophobicContact CZ2-CD 4.31Å; W187-K224 HydrophobicContact CZ2-CG 3.7Å; W187-G225 PolarHBondContact NE1-O 2.98Å; W187-Q231 PolarHBondContact O-NE2 3.35Å
188Y95Very high67.7Low6 Ų650.9 Ų50.92%0.02428%0.281CS..THydrogen-bonded Turntrans-104.5-3.7-179.9-50.4-86.4000113L151 K152 P153 T185 R186 S208 C211 I212 E215L151-Y188 VanDerWaalsContact O-CB 3.31Å; L151-Y188 WeakPolarHBondContact O-CB 3.27Å; K152-Y188 HydrophobicContact CB-CD2 3.53Å; K152-Y188 HydrophobicContact CB-CE2 3.95Å; K152-Y188 HydrophobicContact CB-CG 4.02Å; P153-Y188 VanDerWaalsContact CD-CE1 3.48Å; P153-Y188 WeakPolarHBondContact CD-OH 3.49Å; P153-Y188 HydrophobicContact CG-CE1 3.85Å; P153-Y188 HydrophobicContact CG-CE2 4.44Å; P153-Y188 WeakPolarHBondContact CG-OH 3.5Å; T185-Y188 HydrophobicContact CG2-CD2 4.38Å; T185-Y188 HydrophobicContact CG2-CE2 4.16Å; R186-Y188 PolarHBondContact O-N 3.36Å; R186-Y188 VanDerWaalsContact O-N 3.13Å; Y188-S208 WeakPolarHBondContact O-CA 3.31Å; Y188-S208 WeakPolarHBondContact O-CB 3.45Å; Y188-S208 PolarHBondContact O-OG 3.07Å; Y188-C211 HydrophobicContact CD1-CB 3.78Å; Y188-I212 HydrophobicContact CD1-CG1 3.82Å; Y188-I212 HydrophobicContact CE1-CG1 4.02Å; Y188-E215 WeakPolarHBondContact CE1-OE2 3.44Å; Y188-E215 PolarHBondContact OH-OE2 3.05Å
189R91.5Very high68.8Low21 Ų2154.7 Ų54.78%0.07930%0.298CS..SBendtrans-73.4139.5-178.9-66.7-176.5-179.7-162.3-6.7110D150 D176 M179 R186 I194 W207D150-R189 IonicContact OD1-NH2 3.97Å; D176-R189 IonicContact OD1-NH1 3.84Å; M179-R189 VanDerWaalsContact CE-NH2 3.35Å; R186-R189 WeakPolarHBondContact O-CB 3.34Å; R186-R189 PolarHBondContact O-N 2.94Å; R189-I194 HydrophobicContact CB-CD1 4.14Å; R189-I194 HydrophobicContact CB-CG1 3.91Å; R189-I194 WeakPolarHBondContact O-CD1 3.4Å; R189-W207 PolarHBondContact O-NE1 2.9Å
190A91.4Very high70.1Confident1 Ų156.3 Ų56.31%0.00830%0.303CS..  trans-63.6146.3173.300000111.2E192 V193 I194 V204 W207A190-E192 VanDerWaalsContact CB-CD 3.44Å; A190-E192 HydrophobicContact CB-CG 4.35Å; A190-E192 VanDerWaalsContact CB-OE1 3.31Å; A190-E192 WeakPolarHBondContact CB-OE1 3.41Å; A190-E192 WeakPolarHBondContact CB-OE2 3.29Å; A190-E192 PolarHBondContact O-N 3.1Å; A190-V193 HydrophobicContact CB-CG2 4.32Å; A190-V193 WeakPolarHBondContact O-CB 2.97Å; A190-V193 PolarHBondContact O-N 3.14Å; A190-I194 PolarHBondContact O-N 3.34Å; A190-I194 VanDerWaalsContact O-N 3.11Å; A190-V204 HydrophobicContact CB-CB 4.01Å; A190-V204 HydrophobicContact CB-CG1 4.11Å; A190-W207 VanDerWaalsContact CA-CD1 3.43Å; A190-W207 HydrophobicContact CB-CB 3.75Å; A190-W207 HydrophobicContact CB-CD2 4.42Å; A190-W207 HydrophobicContact CB-CG 3.78Å
191P88Confident72.4Confident1 Ų152.9 Ų52.91%0.00628%0.279CS..Hα-helixtrans-58.8-33.2-177.122.4-32.2000112.4V193 I194 L195 W197 W207 I235 L291P191-V193 VanDerWaalsContact C-N 3.31Å; P191-V193 PolarHBondContact O-N 2.94Å; P191-I194 PolarHBondContact O-N 2.83Å; P191-L195 WeakPolarHBondContact O-CB 3.4Å; P191-L195 WeakPolarHBondContact O-CG 3.41Å; P191-L195 PolarHBondContact O-N 2.88Å; P191-W197 HydrophobicContact CB-CH2 4.5Å; P191-W197 HydrophobicContact CB-CZ2 4.02Å; P191-W207 HydrophobicContact CG-CE3 4.43Å; P191-W207 HydrophobicContact CG-CH2 4.09Å; P191-W207 HydrophobicContact CG-CZ2 4.29Å; P191-W207 HydrophobicContact CG-CZ3 4.15Å; P191-I235 HydrophobicContact CB-CD1 4.19Å; P191-L291 HydrophobicContact CB-CD2 4.48Å; P191-L291 HydrophobicContact CG-CD2 3.82Å
192E84.5Confident75.1Confident1 Ų153.6 Ų53.61%0.00527%0.268CS..Hα-helixtrans-68.1-26.6175.966.5-85.2-164.200115.1A190 S196 W197 V204 V293 R296A190-E192 VanDerWaalsContact CB-CD 3.44Å; A190-E192 HydrophobicContact CB-CG 4.35Å; A190-E192 VanDerWaalsContact CB-OE1 3.31Å; A190-E192 WeakPolarHBondContact CB-OE1 3.41Å; A190-E192 WeakPolarHBondContact CB-OE2 3.29Å; A190-E192 PolarHBondContact O-N 3.1Å; E192-S196 WeakPolarHBondContact O-CA 3.36Å; E192-S196 PolarHBondContact O-N 3.44Å; E192-W197 VanDerWaalsContact CA-CD1 3.48Å; E192-V204 HydrophobicContact CG-CG1 4.07Å; E192-V204 WeakPolarHBondContact OE1-CG1 3.35Å; E192-V293 HydrophobicContact CB-CG1 4.32Å; E192-V293 VanDerWaalsContact CD-CG1 3.46Å; E192-V293 HydrophobicContact CG-CG1 3.82Å; E192-V293 WeakPolarHBondContact OE1-CG1 3.37Å; E192-R296 IonicContact OE1-CZ 3.93Å; E192-R296 IonicContact OE1-NH1 3.75Å; E192-R296 PolarHBondContact OE1-NH1 2.86Å; E192-R296 IonicContact OE1-NH2 3.65Å; E192-R296 PolarHBondContact OE1-NH2 2.97Å; E192-R296 IonicContact OE2-CZ 2.83Å; E192-R296 IonicContact OE2-NH1 3.66Å; E192-R296 IonicContact OE2-NH2 3.62Å; E192-R296 PolarHBondContact OE2-NH2 2.91Å; E192-R296 VanDerWaalsContact OE2-NH2 3.12Å
193V81.8Confident77.8Confident23 Ų2345 Ų4514%0.13924%0.235CC..Hα-helixtrans-77.4-40.4171.7178.20000110A190 P191 L195 Y200 V204A190-V193 HydrophobicContact CB-CG2 4.32Å; A190-V193 WeakPolarHBondContact O-CB 2.97Å; A190-V193 PolarHBondContact O-N 3.14Å; P191-V193 VanDerWaalsContact C-N 3.31Å; P191-V193 PolarHBondContact O-N 2.94Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.02Å; V193-Y200 HydrophobicContact CG2-CG 4.34Å; V193-V204 HydrophobicContact CG2-CB 4.03Å; V193-V204 HydrophobicContact CG2-CG1 3.56Å
194I75.8Confident79.9Confident17 Ų1738.8 Ų38.89%0.08720%0.197CC..Hα-helixtrans-62.2-40.5179.5-70.3160.6000111.3R189 A190 P191 Y228 Q231 I235R189-I194 HydrophobicContact CB-CD1 4.14Å; R189-I194 HydrophobicContact CB-CG1 3.91Å; R189-I194 WeakPolarHBondContact O-CD1 3.4Å; A190-I194 PolarHBondContact O-N 3.34Å; A190-I194 VanDerWaalsContact O-N 3.11Å; P191-I194 PolarHBondContact O-N 2.83Å; I194-Y228 HydrophobicContact CG2-CD1 3.74Å; I194-Y228 HydrophobicContact CG2-CG 4.38Å; I194-Q231 HydrophobicContact CD1-CG 3.56Å; I194-I235 HydrophobicContact CD1-CD1 4.14Å
195L68.1Low81.6Confident33 Ų3336.5 Ų36.517%0.17318%0.183CC..Hα-helixtrans-99.2-7.6-170.6-59.9167.1000113P191 V193 W197 L232P191-L195 WeakPolarHBondContact O-CB 3.4Å; P191-L195 WeakPolarHBondContact O-CG 3.41Å; P191-L195 PolarHBondContact O-N 2.88Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.02Å; L195-W197 HydrophobicContact CB-CB 3.98Å; L195-W197 HydrophobicContact CB-CD2 3.7Å; L195-W197 HydrophobicContact CB-CE3 3.87Å; L195-W197 HydrophobicContact CB-CG 3.76Å; L195-W197 HydrophobicContact CD1-CD2 3.63Å; L195-W197 HydrophobicContact CD1-CE3 3.21Å; L195-W197 HydrophobicContact CD1-CH2 3.32Å; L195-W197 HydrophobicContact CD1-CZ2 3.73Å; L195-W197 HydrophobicContact CD1-CZ3 3.02Å; L195-W197 HydrophobicContact CG-CD2 4.32Å; L195-W197 HydrophobicContact CG-CE3 4.15Å; L195-W197 HydrophobicContact CG-CZ3 4.33Å; L195-W197 PolarHBondContact O-N 2.83Å; L195-L232 HydrophobicContact CD1-CD1 3.76Å; L195-L232 HydrophobicContact CD1-CD2 3.68Å; L195-L232 HydrophobicContact CD1-CG 4.25Å; L195-L232 HydrophobicContact CD2-CD2 3.89Å; L195-L232 HydrophobicContact CG-CD2 4.42Å
196S68.5Low82.9Confident100 Ų10033.8 Ų33.870%0.69917%0.167SC*.  trans48.925.5-174-60.80000113E192 M198E192-S196 WeakPolarHBondContact O-CA 3.36Å; E192-S196 PolarHBondContact O-N 3.44Å; S196-M198 VanDerWaalsContact C-N 3.34Å; S196-M198 PolarHBondContact O-N 2.57Å
197W64.7Low83.5Confident1 Ų132.8 Ų32.80%0.00416%0.163CC..  trans-86.1-6.8-164.462.77.9000112.8P191 E192 L195 L232 F246 L250 N251 A255 I259P191-W197 HydrophobicContact CB-CH2 4.5Å; P191-W197 HydrophobicContact CB-CZ2 4.02Å; E192-W197 VanDerWaalsContact CA-CD1 3.48Å; L195-W197 HydrophobicContact CB-CB 3.98Å; L195-W197 HydrophobicContact CB-CD2 3.7Å; L195-W197 HydrophobicContact CB-CE3 3.87Å; L195-W197 HydrophobicContact CB-CG 3.76Å; L195-W197 HydrophobicContact CD1-CD2 3.63Å; L195-W197 HydrophobicContact CD1-CE3 3.21Å; L195-W197 HydrophobicContact CD1-CH2 3.32Å; L195-W197 HydrophobicContact CD1-CZ2 3.73Å; L195-W197 HydrophobicContact CD1-CZ3 3.02Å; L195-W197 HydrophobicContact CG-CD2 4.32Å; L195-W197 HydrophobicContact CG-CE3 4.15Å; L195-W197 HydrophobicContact CG-CZ3 4.33Å; L195-W197 PolarHBondContact O-N 2.83Å; W197-L232 HydrophobicContact CH2-CD1 4.41Å; W197-F246 AromaticContact CH2-CE1 3.61Å; W197-F246 HydrophobicContact CH2-CE1 3.61Å; W197-F246 AromaticContact CH2-CZ 3.79Å; W197-F246 HydrophobicContact CH2-CZ 3.79Å; W197-F246 AromaticContact CZ2-CE1 3.72Å; W197-F246 HydrophobicContact CZ2-CE1 3.72Å; W197-F246 AromaticContact CZ2-CZ 3.41Å; W197-F246 HydrophobicContact CZ2-CZ 3.41Å; W197-F246 VanDerWaalsContact CZ2-CZ 3.41Å; W197-F246 HydrophobicContact CZ3-CE1 4.2Å; W197-L250 HydrophobicContact CB-CB 4.44Å; W197-L250 HydrophobicContact CB-CD2 4.07Å; W197-L250 HydrophobicContact CD2-CD1 4.25Å; W197-L250 HydrophobicContact CD2-CD2 3.22Å; W197-L250 HydrophobicContact CD2-CG 4.27Å; W197-L250 HydrophobicContact CE3-CD1 3.59Å; W197-L250 HydrophobicContact CE3-CD2 3.46Å; W197-L250 VanDerWaalsContact CE3-CD2 3.46Å; W197-L250 HydrophobicContact CE3-CG 4.1Å; W197-L250 HydrophobicContact CG-CD2 3.51Å; W197-L250 HydrophobicContact CH2-CD2 4.49Å; W197-L250 HydrophobicContact CZ2-CD2 4.28Å; W197-L250 HydrophobicContact CZ3-CD1 3.98Å; W197-L250 HydrophobicContact CZ3-CD2 4.11Å; W197-L250 CarbonylContact O-C 3.55Å; W197-L250 WeakPolarHBondContact O-CA 3.26Å; W197-N251 WeakPolarHBondContact O-CB 3.27Å; W197-N251 PolarHBondContact O-N 3.19Å; W197-A255 HydrophobicContact CB-CB 4.39Å; W197-A255 HydrophobicContact CE3-CB 4.06Å; W197-I259 HydrophobicContact CE3-CD1 3.89Å; W197-I259 HydrophobicContact CH2-CD1 3.92Å; W197-I259 HydrophobicContact CZ3-CD1 3.14Å; W197-I259 HydrophobicContact CZ3-CG1 4.09Å
198M59.4Low83.7Confident30 Ų3029.8 Ų29.815%0.14815%0.152CC..SBendtrans-154.5156.6-176.3-68.7-169.667.200109.6S196 Y200 K249 L250S196-M198 VanDerWaalsContact C-N 3.34Å; S196-M198 PolarHBondContact O-N 2.57Å; M198-Y200 PolarHBondContact O-N 3.43Å; M198-Y200 VanDerWaalsContact O-N 3.15Å; M198-K249 HydrophobicContact CE-CB 3.48Å; M198-K249 VanDerWaalsContact CE-CB 3.48Å; M198-K249 HydrophobicContact CE-CD 4.13Å; M198-K249 HydrophobicContact CE-CG 4.28Å; M198-K249 WeakPolarHBondContact CE-O 3.42Å; M198-K249 WeakPolarHBondContact CG-O 3.39Å; M198-K249 HydrophobicContact SD-CB 3.74Å; M198-L250 HydrophobicContact CG-CD2 4.01Å; M198-L250 HydrophobicContact SD-CD2 3.99Å
199H65.1Low83.9Confident173 Ų17329.5 Ų29.580%0.80115%0.151SC*.  trans-61.2118.3162.6-69.8-66.3000108.1
200Y70Confident84.2Confident78 Ų7828.5 Ų28.531%0.30615%0.147SC..  trans-93.7145.5177.658.3-93.2000110R149 V193 M198 V204R149-Y200 HydrophobicContact CG-CE2 4.43Å; R149-Y200 VanDerWaalsContact CZ-CE2 3.41Å; R149-Y200 PolarHBondContact NH1-OH 3.3Å; V193-Y200 HydrophobicContact CG2-CG 4.34Å; M198-Y200 PolarHBondContact O-N 3.43Å; M198-Y200 VanDerWaalsContact O-N 3.15Å; Y200-V204 HydrophobicContact CD2-CG1 3.99Å; Y200-V204 HydrophobicContact CG-CG1 4.12Å
201N82.6Confident84.5Confident61 Ų6128.5 Ų28.533%0.32615%0.147SC..  trans-109.9-165.2177.466.230000109.5T203 V204N201-T203 PolarHBondContact O-N 3.05Å; N201-T203 VanDerWaalsContact OD1-CB 3.32Å; N201-T203 WeakPolarHBondContact OD1-CB 3.18Å; N201-T203 VanDerWaalsContact OD1-CG2 3.28Å; N201-T203 WeakPolarHBondContact OD1-CG2 3.2Å; N201-T203 PolarHBondContact OD1-N 3.13Å; N201-T203 PolarHBondContact OD1-OG1 3.15Å; N201-V204 WeakPolarHBondContact O-CG1 3Å; N201-V204 WeakPolarHBondContact O-CG2 3.47Å
202Q91.5Very high85Confident69 Ų6928.5 Ų28.532%0.32215%0.147SC..THydrogen-bonded Turntrans-66.6-15.9-179.271.6-164.46.900114.9H142 V147 V204 D205H142-Q202 PolarHBondContact CE1-O 3.17Å; H142-Q202 PolarHBondContact NE2-O 3.46Å; V147-Q202 HydrophobicContact CG2-CB 4Å; Q202-V204 PolarHBondContact O-N 3.27Å; Q202-V204 VanDerWaalsContact O-N 3.15Å; Q202-D205 PolarHBondContact O-N 3.03Å
203T94.6Very high85.6Confident5 Ų528.4 Ų28.43%0.03115%0.147CC..THydrogen-bonded Turntrans-70.4-7.7-17973.80000113N201 D205 I206 W207 V293 R296N201-T203 PolarHBondContact O-N 3.05Å; N201-T203 VanDerWaalsContact OD1-CB 3.32Å; N201-T203 WeakPolarHBondContact OD1-CB 3.18Å; N201-T203 VanDerWaalsContact OD1-CG2 3.28Å; N201-T203 WeakPolarHBondContact OD1-CG2 3.2Å; N201-T203 PolarHBondContact OD1-N 3.13Å; N201-T203 PolarHBondContact OD1-OG1 3.15Å; T203-D205 PolarHBondContact O-N 3.41Å; T203-I206 WeakPolarHBondContact O-CB 3.44Å; T203-I206 PolarHBondContact O-N 2.84Å; T203-I206 VanDerWaalsContact O-N 3.11Å; T203-W207 PolarHBondContact O-N 3.18Å; T203-V293 PolarHBondContact OG1-O 3.05Å; T203-R296 VanDerWaalsContact O-CD 3.26Å; T203-R296 WeakPolarHBondContact O-CD 3.39Å; T203-R296 PolarHBondContact O-NH1 3.27Å
204V94.4Very high86.3Confident2 Ų227.3 Ų27.31%0.01214%0.14CC..Hα-helixtrans-57-35168-61.60000112V147 R149 A190 E192 V193 Y200 N201 Q202 I206 W207 S208V147-V204 HydrophobicContact CG1-CG2 3.46Å; V147-V204 VanDerWaalsContact CG1-CG2 3.46Å; R149-V204 HydrophobicContact CG-CG2 4.44Å; A190-V204 HydrophobicContact CB-CB 4.01Å; A190-V204 HydrophobicContact CB-CG1 4.11Å; E192-V204 HydrophobicContact CG-CG1 4.07Å; E192-V204 WeakPolarHBondContact OE1-CG1 3.35Å; V193-V204 HydrophobicContact CG2-CB 4.03Å; V193-V204 HydrophobicContact CG2-CG1 3.56Å; Y200-V204 HydrophobicContact CD2-CG1 3.99Å; Y200-V204 HydrophobicContact CG-CG1 4.12Å; N201-V204 WeakPolarHBondContact O-CG1 3Å; N201-V204 WeakPolarHBondContact O-CG2 3.47Å; Q202-V204 PolarHBondContact O-N 3.27Å; Q202-V204 VanDerWaalsContact O-N 3.15Å; V204-I206 VanDerWaalsContact C-N 3.31Å; V204-W207 WeakPolarHBondContact O-CB 3.36Å; V204-W207 PolarHBondContact O-N 3.17Å; V204-S208 PolarHBondContact O-N 3.29Å; V204-S208 PolarHBondContact O-OG 2.75Å
205D97Very high87.3Confident0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-73.1-30179.7-62.2-27.9000110.9L138 H142 V147 H148 R149 Q202 T203 S208 V209L138-D205 HydrophobicContact CD1-CB 3.94Å; L138-D205 HydrophobicContact CD2-CB 3.82Å; H142-D205 IonicContact CD2-OD2 3.43Å; H142-D205 IonicContact CE1-OD2 2.57Å; H142-D205 IonicContact NE2-OD2 3.21Å; H142-D205 PolarHBondContact NE2-OD2 3.44Å; V147-D205 WeakPolarHBondContact CG1-OD2 3.33Å; H148-D205 WeakPolarHBondContact CB-OD1 3.32Å; H148-D205 WeakPolarHBondContact CB-OD2 3.48Å; H148-D205 PolarHBondContact N-OD1 2.97Å; H148-D205 PolarHBondContact N-OD2 3.11Å; R149-D205 PolarHBondContact N-OD1 2.67Å; Q202-D205 PolarHBondContact O-N 3.03Å; T203-D205 PolarHBondContact O-N 3.41Å; D205-S208 WeakPolarHBondContact O-CB 3.28Å; D205-S208 PolarHBondContact O-N 3.18Å; D205-V209 WeakPolarHBondContact O-CG2 3.36Å; D205-V209 PolarHBondContact O-N 3.22Å
206I98.5Very high88.6Confident0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-69.9-36.3177.7-55.7-59.5000111.2L135 L138 T203 V204 S208 V209 G210 M288 R296 L297 A299L135-I206 HydrophobicContact CD2-CD1 3.88Å; L138-I206 HydrophobicContact CD1-CD1 4.23Å; T203-I206 WeakPolarHBondContact O-CB 3.44Å; T203-I206 PolarHBondContact O-N 2.84Å; T203-I206 VanDerWaalsContact O-N 3.11Å; V204-I206 VanDerWaalsContact C-N 3.31Å; I206-S208 VanDerWaalsContact C-N 3.31Å; I206-S208 PolarHBondContact O-N 3.45Å; I206-V209 PolarHBondContact O-N 2.95Å; I206-G210 PolarHBondContact O-N 2.97Å; I206-M288 HydrophobicContact CG2-CB 4.06Å; I206-M288 HydrophobicContact CG2-CG 3.68Å; I206-M288 HydrophobicContact CG2-SD 4.05Å; I206-R296 HydrophobicContact CG2-CG 4.23Å; I206-L297 WeakPolarHBondContact CG1-O 3.41Å; I206-L297 WeakPolarHBondContact CG2-O 3.47Å; I206-A299 HydrophobicContact CD1-CB 3.92Å
207W97.6Very high89.8Confident0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-57.6-47.3168.7179-81.6000111.2R189 A190 P191 T203 V204 V209 G210 C211 F223 I235 T239 L289 L291R189-W207 PolarHBondContact O-NE1 2.9Å; A190-W207 VanDerWaalsContact CA-CD1 3.43Å; A190-W207 HydrophobicContact CB-CB 3.75Å; A190-W207 HydrophobicContact CB-CD2 4.42Å; A190-W207 HydrophobicContact CB-CG 3.78Å; P191-W207 HydrophobicContact CG-CE3 4.43Å; P191-W207 HydrophobicContact CG-CH2 4.09Å; P191-W207 HydrophobicContact CG-CZ2 4.29Å; P191-W207 HydrophobicContact CG-CZ3 4.15Å; T203-W207 PolarHBondContact O-N 3.18Å; V204-W207 WeakPolarHBondContact O-CB 3.36Å; V204-W207 PolarHBondContact O-N 3.17Å; W207-V209 VanDerWaalsContact C-N 3.32Å; W207-V209 PolarHBondContact O-N 2.79Å; W207-G210 PolarHBondContact O-N 3.43Å; W207-G210 VanDerWaalsContact O-N 3.12Å; W207-C211 PolarHBondContact NE1-SG 3.05Å; W207-C211 PolarHBondContact O-N 2.78Å; W207-F223 HydrophobicContact CH2-CE2 4.38Å; W207-F223 HydrophobicContact CZ2-CD2 4.25Å; W207-F223 AromaticContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CZ 4.19Å; W207-I235 HydrophobicContact CH2-CG2 3.51Å; W207-I235 HydrophobicContact CZ2-CB 4.43Å; W207-I235 HydrophobicContact CZ2-CD1 3.86Å; W207-I235 HydrophobicContact CZ2-CG1 3.91Å; W207-I235 HydrophobicContact CZ2-CG2 3.69Å; W207-T239 HydrophobicContact CH2-CG2 3.95Å; W207-T239 HydrophobicContact CZ3-CG2 4.39Å; W207-L289 HydrophobicContact CD2-CD2 4.12Å; W207-L289 HydrophobicContact CE3-CD2 4.27Å; W207-L289 HydrophobicContact CH2-CD2 4.5Å; W207-L289 HydrophobicContact CZ2-CD2 4.35Å; W207-L289 HydrophobicContact CZ3-CD2 4.47Å; W207-L291 HydrophobicContact CH2-CD2 4.27Å; W207-L291 HydrophobicContact CZ3-CD2 4.34Å
208S97.8Very high91.2Very high3 Ų325 Ų252%0.02112%0.122CC..Hα-helixtrans-60.3-41.7178-56.10000112L151 Y188 V204 D205 I206 G210 C211 I212L151-S208 WeakPolarHBondContact O-CB 3.45Å; Y188-S208 WeakPolarHBondContact O-CA 3.31Å; Y188-S208 WeakPolarHBondContact O-CB 3.45Å; Y188-S208 PolarHBondContact O-OG 3.07Å; V204-S208 PolarHBondContact O-N 3.29Å; V204-S208 PolarHBondContact O-OG 2.75Å; D205-S208 WeakPolarHBondContact O-CB 3.28Å; D205-S208 PolarHBondContact O-N 3.18Å; I206-S208 VanDerWaalsContact C-N 3.31Å; I206-S208 PolarHBondContact O-N 3.45Å; S208-G210 VanDerWaalsContact C-N 3.35Å; S208-C211 WeakPolarHBondContact O-CB 3.35Å; S208-C211 PolarHBondContact O-N 3.15Å; S208-I212 WeakPolarHBondContact O-CD1 3.48Å; S208-I212 VanDerWaalsContact O-CG1 3.26Å; S208-I212 WeakPolarHBondContact O-CG1 3.49Å; S208-I212 PolarHBondContact O-N 3.48Å
209V98.7Very high92.7Very high0 Ų025 Ų250%013%0.129CC..Hα-helixtrans-60.1-44173.3176.60000111.1V131 M134 L135 L138 L151 D205 I206 W207 C211 I212 M213 M288V131-V209 HydrophobicContact CG1-CG1 3.78Å; M134-V209 HydrophobicContact CB-CG2 4.48Å; L135-V209 HydrophobicContact CD2-CG1 4.19Å; L135-V209 HydrophobicContact CD2-CG2 4.49Å; L135-V209 HydrophobicContact CG-CG1 4.47Å; L138-V209 HydrophobicContact CD1-CG2 3.51Å; L151-V209 HydrophobicContact CD2-CG2 3.63Å; D205-V209 WeakPolarHBondContact O-CG2 3.36Å; D205-V209 PolarHBondContact O-N 3.22Å; I206-V209 PolarHBondContact O-N 2.95Å; W207-V209 VanDerWaalsContact C-N 3.32Å; W207-V209 PolarHBondContact O-N 2.79Å; V209-C211 VanDerWaalsContact C-N 3.35Å; V209-C211 PolarHBondContact O-N 3.28Å; V209-I212 PolarHBondContact O-N 3.21Å; V209-M213 WeakPolarHBondContact O-CB 3.47Å; V209-M213 PolarHBondContact O-N 3.01Å; V209-M288 HydrophobicContact CB-SD 4.02Å; V209-M288 HydrophobicContact CG1-CE 4.16Å; V209-M288 HydrophobicContact CG1-SD 3.66Å
210G98.3Very high94Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-57.4-44.7174.900000112.8I206 W207 S208 M213 A214 L285I206-G210 PolarHBondContact O-N 2.97Å; W207-G210 PolarHBondContact O-N 3.43Å; W207-G210 VanDerWaalsContact O-N 3.12Å; S208-G210 VanDerWaalsContact C-N 3.35Å; G210-M213 PolarHBondContact O-N 3.22Å; G210-A214 WeakPolarHBondContact O-CB 3.21Å; G210-A214 PolarHBondContact O-N 3.43Å; G210-L285 VanDerWaalsContact O-CD2 3.23Å; G210-L285 WeakPolarHBondContact O-CD2 3.37Å
211C97.8Very high95.2Very high2 Ų222.1 Ų22.11%0.01412%0.119CC..Hα-helixtrans-61.8-43.2174.7-68.90000112.5Y188 W207 S208 V209 E215Y188-C211 HydrophobicContact CD1-CB 3.78Å; W207-C211 PolarHBondContact NE1-SG 3.05Å; W207-C211 PolarHBondContact O-N 2.78Å; S208-C211 WeakPolarHBondContact O-CB 3.35Å; S208-C211 PolarHBondContact O-N 3.15Å; V209-C211 VanDerWaalsContact C-N 3.35Å; V209-C211 PolarHBondContact O-N 3.28Å; C211-E215 WeakPolarHBondContact O-CB 3.47Å; C211-E215 PolarHBondContact O-N 3.3Å
212I97.9Very high95.8Very high0 Ų020.9 Ų20.90%011%0.112CC..Hα-helixtrans-65.4-46179.4-69.4159.7000110.7M118 M134 L151 P153 L156 Y188 S208 V209 A214 E215 M216M118-I212 HydrophobicContact CE-CG2 3.74Å; M134-I212 HydrophobicContact CE-CG2 3.84Å; M134-I212 HydrophobicContact SD-CG2 4.05Å; L151-I212 HydrophobicContact CD2-CD1 4.14Å; L151-I212 HydrophobicContact CG-CD1 4.14Å; P153-I212 HydrophobicContact CG-CG1 4.18Å; L156-I212 HydrophobicContact CD1-CD1 3.63Å; L156-I212 HydrophobicContact CD1-CG2 4.28Å; Y188-I212 HydrophobicContact CD1-CG1 3.82Å; Y188-I212 HydrophobicContact CE1-CG1 4.02Å; S208-I212 WeakPolarHBondContact O-CD1 3.48Å; S208-I212 VanDerWaalsContact O-CG1 3.26Å; S208-I212 WeakPolarHBondContact O-CG1 3.49Å; S208-I212 PolarHBondContact O-N 3.48Å; V209-I212 PolarHBondContact O-N 3.21Å; I212-A214 PolarHBondContact O-N 3.06Å; I212-E215 PolarHBondContact O-N 3.23Å; I212-M216 HydrophobicContact CG2-CE 4.1Å; I212-M216 WeakPolarHBondContact O-CG 3.31Å; I212-M216 PolarHBondContact O-N 3.13Å
213M97.9Very high96Very high0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-61.7-43.5177.5178.1177.8173.100111.5I127 V131 V209 G210 E215 M216 L217 A281 L284 L285 M288 F307I127-M213 HydrophobicContact CG2-CG 4.02Å; V131-M213 HydrophobicContact CG1-SD 4.39Å; V131-M213 HydrophobicContact CG2-CB 3.97Å; V131-M213 HydrophobicContact CG2-CG 4.08Å; V131-M213 HydrophobicContact CG2-SD 4.46Å; V209-M213 WeakPolarHBondContact O-CB 3.47Å; V209-M213 PolarHBondContact O-N 3.01Å; G210-M213 PolarHBondContact O-N 3.22Å; M213-E215 VanDerWaalsContact C-N 3.3Å; M213-E215 PolarHBondContact O-N 3.29Å; M213-M216 PolarHBondContact O-N 2.69Å; M213-L217 HydrophobicContact CE-CD1 4.12Å; M213-L217 HydrophobicContact CG-CD1 4.16Å; M213-L217 WeakPolarHBondContact O-CG 3.33Å; M213-L217 PolarHBondContact O-N 2.92Å; M213-A281 HydrophobicContact CE-CB 3.84Å; M213-L284 HydrophobicContact CE-CD2 4.14Å; M213-L284 HydrophobicContact SD-CD2 4Å; M213-L284 HydrophobicContact SD-CG 4.39Å; M213-L285 HydrophobicContact CB-CD2 3.96Å; M213-L285 HydrophobicContact CE-CG 4.15Å; M213-L285 HydrophobicContact CG-CD2 3.92Å; M213-L285 HydrophobicContact CG-CG 4.3Å; M213-L285 HydrophobicContact SD-CD2 4Å; M213-L285 HydrophobicContact SD-CG 4.05Å; M213-M288 HydrophobicContact SD-CE 3.54Å; M213-M288 VanDerWaalsContact SD-CE 3.54Å; M213-F307 HydrophobicContact CE-CD1 4.12Å; M213-F307 HydrophobicContact CE-CE1 3.52Å; M213-F307 HydrophobicContact CE-CE2 4.38Å; M213-F307 HydrophobicContact CE-CZ 3.67Å; M213-F307 HydrophobicContact SD-CE1 4.42Å
214A96.4Very high95.9Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-62.1-37.9175.800000112.4G210 I212 L217 T218 L222 F274 L285G210-A214 WeakPolarHBondContact O-CB 3.21Å; G210-A214 PolarHBondContact O-N 3.43Å; I212-A214 PolarHBondContact O-N 3.06Å; A214-L217 PolarHBondContact O-N 2.72Å; A214-T218 WeakPolarHBondContact O-CB 3.4Å; A214-T218 WeakPolarHBondContact O-CG2 3.34Å; A214-T218 PolarHBondContact O-N 2.82Å; A214-T218 VanDerWaalsContact O-N 3.15Å; A214-T218 PolarHBondContact O-OG1 3.4Å; A214-L222 HydrophobicContact CB-CB 4.17Å; A214-L222 HydrophobicContact CB-CD1 4.29Å; A214-L222 HydrophobicContact CB-CD2 3.75Å; A214-L222 HydrophobicContact CB-CG 4.29Å; A214-F274 HydrophobicContact CB-CE1 3.75Å; A214-F274 HydrophobicContact CB-CZ 3.81Å; A214-L285 HydrophobicContact CB-CD1 4.42Å; A214-L285 HydrophobicContact CB-CD2 4.07Å
215E96.2Very high95.6Very high9 Ų924 Ų244%0.04213%0.125CC..Hα-helixtrans-68.9-38175.5-177.8158.7-169.700112.4M118 Y188 C211 I212 M213 T218 G219 K220 T221M118-E215 HydrophobicContact CG-CG 4.5Å; M118-E215 HydrophobicContact SD-CG 4.01Å; Y188-E215 WeakPolarHBondContact CE1-OE2 3.44Å; Y188-E215 PolarHBondContact OH-OE2 3.05Å; C211-E215 WeakPolarHBondContact O-CB 3.47Å; C211-E215 PolarHBondContact O-N 3.3Å; I212-E215 PolarHBondContact O-N 3.23Å; M213-E215 VanDerWaalsContact C-N 3.3Å; M213-E215 PolarHBondContact O-N 3.29Å; E215-T218 PolarHBondContact O-N 2.7Å; E215-G219 VanDerWaalsContact O-CA 3.24Å; E215-G219 WeakPolarHBondContact O-CA 3.28Å; E215-G219 PolarHBondContact O-N 2.84Å; E215-K220 WeakPolarHBondContact CA-O 3.4Å; E215-T221 VanDerWaalsContact CD-CA 3.46Å; E215-T221 PolarHBondContact OE1-OG1 2.66Å; E215-T221 WeakPolarHBondContact OE2-CA 3.34Å
216M96.1Very high95.2Very high4 Ų431.7 Ų31.72%0.0216%0.158CC..Hα-helixtrans-63.3-40172.5-69.1179.4168.400112.5L114 M118 F122 I127 L130 V131 M134 I212 M213 T218L114-M216 HydrophobicContact CD1-CE 3.37Å; L114-M216 HydrophobicContact CD2-CE 3.9Å; L114-M216 HydrophobicContact CG-CE 4.24Å; M118-M216 HydrophobicContact CE-CE 4.01Å; M118-M216 HydrophobicContact CE-CG 3.95Å; M118-M216 HydrophobicContact SD-CG 4.18Å; F122-M216 HydrophobicContact CD2-CB 4.27Å; F122-M216 HydrophobicContact CD2-CG 4.4Å; F122-M216 HydrophobicContact CE2-CG 4.47Å; F122-M216 HydrophobicContact CG-CB 4.45Å; I127-M216 HydrophobicContact CD1-CB 3.89Å; I127-M216 HydrophobicContact CG1-CB 3.91Å; I127-M216 HydrophobicContact CG2-CB 4.41Å; I127-M216 HydrophobicContact CG2-SD 4.38Å; L130-M216 HydrophobicContact CB-CE 4.23Å; L130-M216 HydrophobicContact CD1-CE 3.89Å; L130-M216 HydrophobicContact CD1-SD 4.41Å; V131-M216 HydrophobicContact CG2-SD 4.46Å; M134-M216 HydrophobicContact CE-CE 3.67Å; M134-M216 HydrophobicContact CE-SD 4.46Å; I212-M216 HydrophobicContact CG2-CE 4.1Å; I212-M216 WeakPolarHBondContact O-CG 3.31Å; I212-M216 PolarHBondContact O-N 3.13Å; M213-M216 PolarHBondContact O-N 2.69Å; M216-T218 VanDerWaalsContact C-N 3.34Å; M216-T218 PolarHBondContact O-N 2.69Å
217L94.2Very high94.4Very high30 Ų3034.8 Ų34.816%0.15718%0.175CC..Hα-helixtrans-69-29.7179.7-79.5163.6000113.4I127 M213 A214 A277 A281 L285I127-L217 HydrophobicContact CD1-CB 4.42Å; I127-L217 HydrophobicContact CD1-CD2 3.63Å; I127-L217 HydrophobicContact CD1-CG 3.77Å; M213-L217 HydrophobicContact CE-CD1 4.12Å; M213-L217 HydrophobicContact CG-CD1 4.16Å; M213-L217 WeakPolarHBondContact O-CG 3.33Å; M213-L217 PolarHBondContact O-N 2.92Å; A214-L217 PolarHBondContact O-N 2.72Å; L217-A277 HydrophobicContact CD1-CB 4.17Å; L217-A277 HydrophobicContact CD2-CB 4.06Å; L217-A281 HydrophobicContact CD1-CB 4.43Å; L217-L285 HydrophobicContact CD1-CD1 3.58Å; L217-L285 HydrophobicContact CD1-CG 4.46Å
218T92.5Very high93.5Very high59 Ų5939.8 Ų39.836%0.36220%0.195SC..Hα-helixtrans-115.2-12.7-170.362.90000114.5A214 E215 M216 K220 F274A214-T218 WeakPolarHBondContact O-CB 3.4Å; A214-T218 WeakPolarHBondContact O-CG2 3.34Å; A214-T218 PolarHBondContact O-N 2.82Å; A214-T218 VanDerWaalsContact O-N 3.15Å; A214-T218 PolarHBondContact O-OG1 3.4Å; E215-T218 PolarHBondContact O-N 2.7Å; M216-T218 VanDerWaalsContact C-N 3.34Å; M216-T218 PolarHBondContact O-N 2.69Å; T218-K220 PolarHBondContact O-N 2.92Å; T218-K220 PolarHBondContact OG1-N 3.31Å; T218-K220 PolarHBondContact OG1-O 3.42Å; T218-F274 HydrophobicContact CG2-CD1 3.56Å; T218-F274 HydrophobicContact CG2-CE1 3.86Å
219G92.5Very high92.8Very high29 Ų2944.2 Ų44.230%0.29922%0.217SC..SBendtrans66.511.3-169.600000113.9E215E215-G219 VanDerWaalsContact O-CA 3.24Å; E215-G219 WeakPolarHBondContact O-CA 3.28Å; E215-G219 PolarHBondContact O-N 2.84Å
220K92.5Very high92.2Very high156 Ų15645.9 Ų45.968%0.67823%0.227SC*.SBendtrans-132132.1-173.8-64.5177.8-174.4174.10110.9E215 T218 L222E215-K220 WeakPolarHBondContact CA-O 3.4Å; T218-K220 PolarHBondContact O-N 2.92Å; T218-K220 PolarHBondContact OG1-N 3.31Å; T218-K220 PolarHBondContact OG1-O 3.42Å; K220-L222 PolarHBondContact O-N 3.24Å; K220-L222 VanDerWaalsContact O-N 3.17Å
221T94.3Very high91.8Very high35 Ų3545.9 Ų45.922%0.21523%0.227CC..  trans-53.8121.9171.1-49.50000110.8W187 E215W187-T221 HydrophobicContact CB-CG2 3.9Å; W187-T221 HydrophobicContact CD2-CG2 4.06Å; W187-T221 HydrophobicContact CE3-CG2 3.67Å; W187-T221 HydrophobicContact CG-CG2 4.19Å; E215-T221 VanDerWaalsContact CD-CA 3.46Å; E215-T221 PolarHBondContact OE1-OG1 2.66Å; E215-T221 WeakPolarHBondContact OE2-CA 3.34Å
222L95.3Very high91.3Very high36 Ų3645.9 Ų45.919%0.18823%0.226CC..SBendtrans-62.7-47.4-172.7-17962.2000112.9A214 K220 F274 L289A214-L222 HydrophobicContact CB-CB 4.17Å; A214-L222 HydrophobicContact CB-CD1 4.29Å; A214-L222 HydrophobicContact CB-CD2 3.75Å; A214-L222 HydrophobicContact CB-CG 4.29Å; K220-L222 PolarHBondContact O-N 3.24Å; K220-L222 VanDerWaalsContact O-N 3.17Å; L222-F274 HydrophobicContact CD1-CE1 4.28Å; L222-F274 HydrophobicContact CD1-CZ 3.94Å; L222-L289 HydrophobicContact CD2-CD1 3.46Å; L222-L289 VanDerWaalsContact CD2-CD1 3.46Å; L222-L289 HydrophobicContact CD2-CD2 4.33Å
223F94.9Very high90.7Very high1 Ų147.9 Ų47.90%0.00424%0.238CC..  trans-124.792-177.4-54.9-59.6000111.3W187 W207 G225 Q231 Q234 I235 V238 L289W187-F223 WeakPolarHBondContact CA-O 3.49Å; W187-F223 WeakPolarHBondContact CB-O 3.28Å; W207-F223 HydrophobicContact CH2-CE2 4.38Å; W207-F223 HydrophobicContact CZ2-CD2 4.25Å; W207-F223 AromaticContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CE2 3.6Å; W207-F223 HydrophobicContact CZ2-CZ 4.19Å; F223-G225 PolarHBondContact O-N 3.03Å; F223-Q231 PolarHBondContact O-NE2 2.94Å; F223-Q231 PolarHBondContact O-OE1 3.18Å; F223-Q234 HydrophobicContact CB-CB 4.41Å; F223-Q234 HydrophobicContact CD1-CB 4.15Å; F223-I235 HydrophobicContact CB-CG1 4.34Å; F223-I235 HydrophobicContact CD1-CG1 3.94Å; F223-I235 HydrophobicContact CD2-CG1 3.94Å; F223-I235 HydrophobicContact CE1-CB 4.4Å; F223-I235 HydrophobicContact CE1-CG1 4.16Å; F223-I235 HydrophobicContact CE2-CG1 4.15Å; F223-I235 HydrophobicContact CG-CG1 3.82Å; F223-I235 HydrophobicContact CZ-CG1 4.26Å; F223-V238 HydrophobicContact CE1-CB 3.8Å; F223-V238 HydrophobicContact CE1-CG1 4.32Å; F223-V238 HydrophobicContact CE1-CG2 3.68Å; F223-V238 HydrophobicContact CZ-CB 4.17Å; F223-V238 HydrophobicContact CZ-CG1 4.24Å; F223-V238 HydrophobicContact CZ-CG2 4.42Å; F223-L289 HydrophobicContact CE2-CD2 4.2Å
224K92.7Very high90.4Very high136 Ų13650.4 Ų50.459%0.59125%0.25SS*.  trans-99.970.9-178.9-166.4175-178.31720111.9W187W187-K224 HydrophobicContact CD2-CG 4.25Å; W187-K224 HydrophobicContact CH2-CD 4.33Å; W187-K224 HydrophobicContact CH2-CG 4.15Å; W187-K224 HydrophobicContact CZ2-CD 4.31Å; W187-K224 HydrophobicContact CZ2-CG 3.7Å
225G89.5Confident90.3Very high3 Ų350.4 Ų50.43%0.03125%0.25CS..  trans-80.1139.4177.700000113.7R186 W187 F223 D230 Q231R186-G225 PolarHBondContact NH1-O 3.15Å; W187-G225 PolarHBondContact NE1-O 2.98Å; F223-G225 PolarHBondContact O-N 3.03Å; G225-D230 WeakPolarHBondContact CA-OD2 2.85Å; G225-Q231 VanDerWaalsContact CA-OE1 3.24Å
226K86.9Confident90Very high162 Ų16250.3 Ų50.370%0.70425%0.25SS*.SBendtrans-73.9-36.3177.5-66.4174.4-177.1176.60112.9R186 D230R186-K226 PolarHBondContact NH1-O 3.13Å; K226-D230 HydrophobicContact CB-CB 4.48Å; K226-D230 PolarHBondContact N-OD2 2.81Å
227D82.8Confident89.7Confident65 Ų6555 Ų5535%0.34827%0.27SS..SBendtrans-142.1-173.5177.758.659.6000110L229 D230 Q231D227-L229 PolarHBondContact OD1-N 3.33Å; D227-D230 PolarHBondContact OD1-N 3.21Å; D227-Q231 WeakPolarHBondContact O-CB 3.19Å; D227-Q231 PolarHBondContact O-N 3.44Å
228Y79.4Confident89.6Confident106 Ų10654.1 Ų54.142%0.41627%0.266SS..Hα-helixtrans-65.4-37.7-177.9-66.2-58.3000113.5I194 L232I194-Y228 HydrophobicContact CG2-CD1 3.74Å; I194-Y228 HydrophobicContact CG2-CG 4.38Å; Y228-L232 PolarHBondContact O-N 2.7Å; Y228-L232 VanDerWaalsContact O-N 3.07Å
229L81.2Confident89.5Confident95 Ų9551.9 Ų51.950%0.49725%0.253SS..Hα-helixtrans-76.5-41.3-179-69.8174.9000111.3D227 Q231 L232 T233 Y258D227-L229 PolarHBondContact OD1-N 3.33Å; L229-Q231 VanDerWaalsContact C-N 3.34Å; L229-L232 PolarHBondContact O-N 2.81Å; L229-T233 WeakPolarHBondContact O-CB 3.17Å; L229-T233 PolarHBondContact O-N 3.28Å; L229-T233 PolarHBondContact O-OG1 3.42Å; L229-Y258 HydrophobicContact CD2-CD2 4.37Å; L229-Y258 HydrophobicContact CD2-CE1 4.17Å; L229-Y258 HydrophobicContact CD2-CE2 4.02Å
230D86.8Confident89.4Confident36 Ų3650.6 Ų50.619%0.19324%0.239CC..Hα-helixtrans-63.7-42.3173.3-177.639.9000110.4G225 K226 D227 L232 T233 Q234G225-D230 WeakPolarHBondContact CA-OD2 2.85Å; K226-D230 HydrophobicContact CB-CB 4.48Å; K226-D230 PolarHBondContact N-OD2 2.81Å; D227-D230 PolarHBondContact OD1-N 3.21Å; D230-L232 PolarHBondContact O-N 3.38Å; D230-T233 CarbonylContact O-C 3.54Å; D230-T233 WeakPolarHBondContact O-CB 3.38Å; D230-T233 PolarHBondContact O-N 3.44Å; D230-T233 VanDerWaalsContact O-N 3.1Å; D230-Q234 WeakPolarHBondContact O-CG 3.49Å; D230-Q234 PolarHBondContact O-N 3.03Å; D230-Q234 PolarHBondContact OD1-NE2 3.22Å
231Q89.5Confident89.1Confident0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-56-49.1174.5-174.968.627.600111.7R186 W187 I194 F223 G225 D227 L229 T233 Q234 I235R186-Q231 HydrophobicContact CG-CB 4.28Å; R186-Q231 HydrophobicContact CG-CG 4.05Å; W187-Q231 PolarHBondContact O-NE2 3.35Å; I194-Q231 HydrophobicContact CD1-CG 3.56Å; F223-Q231 PolarHBondContact O-NE2 2.94Å; F223-Q231 PolarHBondContact O-OE1 3.18Å; G225-Q231 VanDerWaalsContact CA-OE1 3.24Å; D227-Q231 WeakPolarHBondContact O-CB 3.19Å; D227-Q231 PolarHBondContact O-N 3.44Å; L229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-T233 VanDerWaalsContact C-N 3.31Å; Q231-T233 PolarHBondContact O-N 3.03Å; Q231-Q234 PolarHBondContact O-N 3Å; Q231-I235 HydrophobicContact CG-CD1 4.27Å; Q231-I235 WeakPolarHBondContact O-CG1 3.49Å; Q231-I235 PolarHBondContact O-N 3.5Å
232L86.8Confident88.6Confident2 Ų242.9 Ų42.91%0.0121%0.206CC..Hα-helixtrans-59.7-43.4175.4178.157.3000111.5L195 W197 Y228 L229 D230 Q234 I235 L236 Y258L195-L232 HydrophobicContact CD1-CD1 3.76Å; L195-L232 HydrophobicContact CD1-CD2 3.68Å; L195-L232 HydrophobicContact CD1-CG 4.25Å; L195-L232 HydrophobicContact CD2-CD2 3.89Å; L195-L232 HydrophobicContact CG-CD2 4.42Å; W197-L232 HydrophobicContact CH2-CD1 4.41Å; Y228-L232 PolarHBondContact O-N 2.7Å; Y228-L232 VanDerWaalsContact O-N 3.07Å; L229-L232 PolarHBondContact O-N 2.81Å; D230-L232 PolarHBondContact O-N 3.38Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 3.24Å; L232-I235 WeakPolarHBondContact O-CB 3.17Å; L232-I235 PolarHBondContact O-N 3.24Å; L232-I235 VanDerWaalsContact O-N 3.13Å; L232-L236 HydrophobicContact CD1-CD1 3.9Å; L232-L236 HydrophobicContact CD1-CD2 4.21Å; L232-L236 HydrophobicContact CD1-CG 3.85Å; L232-L236 HydrophobicContact CG-CD1 3.91Å; L232-L236 HydrophobicContact CG-CG 4.25Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.96Å; L232-Y258 HydrophobicContact CD2-CD1 3.75Å; L232-Y258 HydrophobicContact CD2-CE1 3.46Å; L232-Y258 VanDerWaalsContact CD2-CE1 3.46Å; L232-Y258 HydrophobicContact CG-CE1 4.29Å
233T86.9Confident87.9Confident41 Ų4143.3 Ų43.325%0.25222%0.218SC..Hα-helixtrans-60.7-41.6177.7-58.70000111.8L229 D230 Q231 I235 K237 Y258L229-T233 WeakPolarHBondContact O-CB 3.17Å; L229-T233 PolarHBondContact O-N 3.28Å; L229-T233 PolarHBondContact O-OG1 3.42Å; D230-T233 CarbonylContact O-C 3.54Å; D230-T233 WeakPolarHBondContact O-CB 3.38Å; D230-T233 PolarHBondContact O-N 3.44Å; D230-T233 VanDerWaalsContact O-N 3.1Å; Q231-T233 VanDerWaalsContact C-N 3.31Å; Q231-T233 PolarHBondContact O-N 3.03Å; T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 2.87Å; T233-K237 VanDerWaalsContact O-CG 3.27Å; T233-K237 WeakPolarHBondContact O-CG 2.91Å; T233-K237 PolarHBondContact O-N 2.87Å; T233-K237 VanDerWaalsContact O-N 3.13Å; T233-Y258 PolarHBondContact OG1-OH 3.46Å
234Q91.5Very high87.4Confident54 Ų5448.3 Ų48.325%0.25225%0.249SC..Hα-helixtrans-62.7-40.1175-62-54.4-43.200111.6F223 D230 Q231 L232F223-Q234 HydrophobicContact CB-CB 4.41Å; F223-Q234 HydrophobicContact CD1-CB 4.15Å; D230-Q234 WeakPolarHBondContact O-CG 3.49Å; D230-Q234 PolarHBondContact O-N 3.03Å; D230-Q234 PolarHBondContact OD1-NE2 3.22Å; Q231-Q234 PolarHBondContact O-N 3Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 3.24Å
235I92.9Very high86.9Confident0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-63-53.8177.7-69171.3000110.8P191 I194 W207 F223 Q231 L232 T233 K237 V238 T239 L291P191-I235 HydrophobicContact CB-CD1 4.19Å; I194-I235 HydrophobicContact CD1-CD1 4.14Å; W207-I235 HydrophobicContact CH2-CG2 3.51Å; W207-I235 HydrophobicContact CZ2-CB 4.43Å; W207-I235 HydrophobicContact CZ2-CD1 3.86Å; W207-I235 HydrophobicContact CZ2-CG1 3.91Å; W207-I235 HydrophobicContact CZ2-CG2 3.69Å; F223-I235 HydrophobicContact CB-CG1 4.34Å; F223-I235 HydrophobicContact CD1-CG1 3.94Å; F223-I235 HydrophobicContact CD2-CG1 3.94Å; F223-I235 HydrophobicContact CE1-CB 4.4Å; F223-I235 HydrophobicContact CE1-CG1 4.16Å; F223-I235 HydrophobicContact CE2-CG1 4.15Å; F223-I235 HydrophobicContact CG-CG1 3.82Å; F223-I235 HydrophobicContact CZ-CG1 4.26Å; Q231-I235 HydrophobicContact CG-CD1 4.27Å; Q231-I235 WeakPolarHBondContact O-CG1 3.49Å; Q231-I235 PolarHBondContact O-N 3.5Å; L232-I235 WeakPolarHBondContact O-CB 3.17Å; L232-I235 PolarHBondContact O-N 3.24Å; L232-I235 VanDerWaalsContact O-N 3.13Å; T233-I235 VanDerWaalsContact C-N 3.32Å; T233-I235 PolarHBondContact O-N 2.87Å; I235-K237 PolarHBondContact O-N 3.06Å; I235-V238 PolarHBondContact O-N 2.88Å; I235-T239 HydrophobicContact CG2-CG2 4.37Å; I235-T239 PolarHBondContact O-N 2.82Å; I235-T239 PolarHBondContact O-OG1 3.1Å; I235-T239 VanDerWaalsContact O-OG1 3.11Å; I235-L291 HydrophobicContact CG2-CD2 4.02Å
236L90.7Very high86.5Confident7 Ų748.8 Ų48.84%0.03725%0.252CS..Hα-helixtrans-65-24.5-176.7-61.5178.6000113L232 V238 G240 L262 L291L232-L236 HydrophobicContact CD1-CD1 3.9Å; L232-L236 HydrophobicContact CD1-CD2 4.21Å; L232-L236 HydrophobicContact CD1-CG 3.85Å; L232-L236 HydrophobicContact CG-CD1 3.91Å; L232-L236 HydrophobicContact CG-CG 4.25Å; L232-L236 WeakPolarHBondContact O-CG 3.28Å; L232-L236 PolarHBondContact O-N 2.96Å; L236-V238 PolarHBondContact O-N 2.84Å; L236-G240 WeakPolarHBondContact CD2-O 3.2Å; L236-G240 CarbonylContact O-C 3.5Å; L236-G240 WeakPolarHBondContact O-CA 3.39Å; L236-G240 PolarHBondContact O-N 2.94Å; L236-L262 HydrophobicContact CD1-CD1 3.36Å; L236-L291 HydrophobicContact CD2-CD1 4.05Å
237K89.5Confident86.4Confident101 Ų10141.5 Ų41.544%0.43922%0.221SC..Hα-helixtrans-64.6-20.7170.9-80170.1-179.4170.70113.8T233 I235 K268T233-K237 VanDerWaalsContact O-CG 3.27Å; T233-K237 WeakPolarHBondContact O-CG 2.91Å; T233-K237 PolarHBondContact O-N 2.87Å; T233-K237 VanDerWaalsContact O-N 3.13Å; I235-K237 PolarHBondContact O-N 3.06Å; K237-K268 VanDerWaalsContact O-CD 3.27Å; K237-K268 WeakPolarHBondContact O-CD 3.4Å; K237-K268 WeakPolarHBondContact O-CE 3.47Å
238V91.9Very high86.4Confident13 Ų1345.1 Ų45.18%0.07924%0.236CC..Hα-helixtrans-103.2-51.6179.91690000110.2F223 I235 L236 G240 K268 F270 L273F223-V238 HydrophobicContact CE1-CB 3.8Å; F223-V238 HydrophobicContact CE1-CG1 4.32Å; F223-V238 HydrophobicContact CE1-CG2 3.68Å; F223-V238 HydrophobicContact CZ-CB 4.17Å; F223-V238 HydrophobicContact CZ-CG1 4.24Å; F223-V238 HydrophobicContact CZ-CG2 4.42Å; I235-V238 PolarHBondContact O-N 2.88Å; L236-V238 PolarHBondContact O-N 2.84Å; V238-G240 VanDerWaalsContact C-N 3.32Å; V238-G240 PolarHBondContact O-N 2.85Å; V238-K268 PolarHBondContact O-N 3.13Å; V238-F270 HydrophobicContact CG1-CE1 3.94Å; V238-F270 HydrophobicContact CG1-CZ 4.09Å; V238-L273 HydrophobicContact CB-CD1 4.46Å; V238-L273 HydrophobicContact CG1-CD1 3.69Å; V238-L273 HydrophobicContact CG2-CD1 4.4Å
239T91.3Very high86.5Confident12 Ų1243.3 Ų43.37%0.07423%0.231CC..Hα-helixtrans-82.8-10.6-174.658.50000113.6W207 I235 R267 L289 L291W207-T239 HydrophobicContact CH2-CG2 3.95Å; W207-T239 HydrophobicContact CZ3-CG2 4.39Å; I235-T239 HydrophobicContact CG2-CG2 4.37Å; I235-T239 PolarHBondContact O-N 2.82Å; I235-T239 PolarHBondContact O-OG1 3.1Å; I235-T239 VanDerWaalsContact O-OG1 3.11Å; T239-R267 WeakPolarHBondContact O-CB 3.32Å; T239-L289 WeakPolarHBondContact CG2-O 3.42Å; T239-L291 HydrophobicContact CG2-CG 4.24Å; T239-L291 VanDerWaalsContact OG1-CD1 3.31Å; T239-L291 WeakPolarHBondContact OG1-CD1 3.2Å; T239-L291 WeakPolarHBondContact OG1-CG 2.84Å
240G90.4Very high86.3Confident2 Ų238.9 Ų38.92%0.02121%0.208CC..  trans81.7165.7-170.500000112.2L236 V238 T265L236-G240 WeakPolarHBondContact CD2-O 3.2Å; L236-G240 CarbonylContact O-C 3.5Å; L236-G240 WeakPolarHBondContact O-CA 3.39Å; L236-G240 PolarHBondContact O-N 2.94Å; V238-G240 VanDerWaalsContact C-N 3.32Å; V238-G240 PolarHBondContact O-N 2.85Å; G240-T265 CarbonylContact C-O 3.54Å; G240-T265 WeakPolarHBondContact CA-O 3.46Å
241V85.6Confident85.9Confident16 Ų1642.5 Ų42.510%0.09723%0.227CC..  trans-79.3126.8171.9179.20000108I259 L262 P263 T265V241-I259 HydrophobicContact CG1-CG2 3.87Å; V241-L262 HydrophobicContact CG2-CB 4.25Å; V241-P263 WeakPolarHBondContact CG2-O 3.48Å; V241-T265 PolarHBondContact N-O 2.89Å
242P83.5Confident85.3Confident13 Ų1345.7 Ų45.78%0.08424%0.244CC..  trans-71.3148.3-174.129.6-36.4000111.7F246 I259 L291P242-F246 HydrophobicContact CB-CB 3.7Å; P242-F246 HydrophobicContact CB-CD1 3.25Å; P242-F246 HydrophobicContact CB-CD2 4.36Å; P242-F246 HydrophobicContact CB-CE1 3.94Å; P242-F246 HydrophobicContact CB-CG 3.5Å; P242-F246 VanDerWaalsContact CB-CG 3.5Å; P242-F246 HydrophobicContact CG-CD1 3.24Å; P242-F246 HydrophobicContact CG-CE1 3.58Å; P242-F246 HydrophobicContact CG-CG 4.04Å; P242-I259 HydrophobicContact CG-CD1 4.47Å; P242-I259 HydrophobicContact CG-CG2 4.03Å; P242-L291 HydrophobicContact CB-CD1 4.04Å; P242-L291 HydrophobicContact CG-CD1 4.24Å
243G82.1Confident85.1Confident44 Ų4454 Ų5445%0.45428%0.28SS..  trans-70.6-180179.900000114E245 F246 V247G243-E245 VanDerWaalsContact C-N 3.33Å; G243-E245 PolarHBondContact O-N 3.29Å; G243-F246 PolarHBondContact O-N 2.92Å; G243-V247 WeakPolarHBondContact O-CG2 3.27Å; G243-V247 PolarHBondContact O-N 3.24Å; G243-V247 VanDerWaalsContact O-N 3.12Å
244T83.1Confident84.7Confident107 Ų10755.1 Ų55.166%0.65629%0.293SS*.Hα-helixtrans-58.5-38.9-176.447.50000113.6F246 V247 Q248T244-F246 VanDerWaalsContact C-N 3.35Å; T244-F246 PolarHBondContact O-N 3.21Å; T244-V247 PolarHBondContact O-N 3.23Å; T244-Q248 VanDerWaalsContact O-CG 3.3Å; T244-Q248 WeakPolarHBondContact O-CG 3.43Å; T244-Q248 PolarHBondContact O-N 3.27Å
245E83.2Confident83.9Confident135 Ų13553 Ų5363%0.63129%0.285SS*.Hα-helixtrans-57.9-45.5178.2-66.3-176.9170.200112.1G243 Q248 K249G243-E245 VanDerWaalsContact C-N 3.33Å; G243-E245 PolarHBondContact O-N 3.29Å; E245-Q248 PolarHBondContact O-N 2.87Å; E245-K249 PolarHBondContact O-N 3.02Å
246F81.6Confident83.5Confident13 Ų1355.7 Ų55.76%0.05730%0.297CS..Hα-helixtrans-68.7-43.2177.5178-86.2000111.6W197 P242 G243 T244 Q248 K249 L250 I259 L291 D292W197-F246 AromaticContact CH2-CE1 3.61Å; W197-F246 HydrophobicContact CH2-CE1 3.61Å; W197-F246 AromaticContact CH2-CZ 3.79Å; W197-F246 HydrophobicContact CH2-CZ 3.79Å; W197-F246 AromaticContact CZ2-CE1 3.72Å; W197-F246 HydrophobicContact CZ2-CE1 3.72Å; W197-F246 AromaticContact CZ2-CZ 3.41Å; W197-F246 HydrophobicContact CZ2-CZ 3.41Å; W197-F246 VanDerWaalsContact CZ2-CZ 3.41Å; W197-F246 HydrophobicContact CZ3-CE1 4.2Å; P242-F246 HydrophobicContact CB-CB 3.7Å; P242-F246 HydrophobicContact CB-CD1 3.25Å; P242-F246 HydrophobicContact CB-CD2 4.36Å; P242-F246 HydrophobicContact CB-CE1 3.94Å; P242-F246 HydrophobicContact CB-CG 3.5Å; P242-F246 VanDerWaalsContact CB-CG 3.5Å; P242-F246 HydrophobicContact CG-CD1 3.24Å; P242-F246 HydrophobicContact CG-CE1 3.58Å; P242-F246 HydrophobicContact CG-CG 4.04Å; G243-F246 PolarHBondContact O-N 2.92Å; T244-F246 VanDerWaalsContact C-N 3.35Å; T244-F246 PolarHBondContact O-N 3.21Å; F246-Q248 PolarHBondContact O-N 2.85Å; F246-K249 WeakPolarHBondContact O-CB 3.42Å; F246-K249 PolarHBondContact O-N 2.88Å; F246-L250 HydrophobicContact CD1-CD2 4.37Å; F246-L250 HydrophobicContact CE1-CD2 3.83Å; F246-L250 HydrophobicContact CE1-CG 4.5Å; F246-L250 HydrophobicContact CZ-CD2 4.21Å; F246-I259 HydrophobicContact CE1-CD1 4.47Å; F246-L291 HydrophobicContact CE2-CB 4.15Å; F246-L291 WeakPolarHBondContact CE2-O 3.37Å; F246-L291 HydrophobicContact CZ-CB 4.45Å; F246-D292 HydrophobicContact CD2-CB 4.37Å
247V83.1Confident83.3Confident9 Ų958.9 Ų58.96%0.05532%0.32CS..Hα-helixtrans-60.7-33.7177.6176.10000111.2G243 T244 K249 L250 K256 I259 Q260G243-V247 WeakPolarHBondContact O-CG2 3.27Å; G243-V247 PolarHBondContact O-N 3.24Å; G243-V247 VanDerWaalsContact O-N 3.12Å; T244-V247 PolarHBondContact O-N 3.23Å; V247-K249 VanDerWaalsContact C-N 3.34Å; V247-K249 PolarHBondContact O-N 3.18Å; V247-L250 WeakPolarHBondContact O-CG 3.29Å; V247-L250 PolarHBondContact O-N 3.41Å; V247-K256 HydrophobicContact CG1-CB 4.17Å; V247-K256 HydrophobicContact CG1-CD 4.49Å; V247-K256 HydrophobicContact CG1-CG 4.02Å; V247-K256 WeakPolarHBondContact O-CD 3.39Å; V247-K256 WeakPolarHBondContact O-CE 3.35Å; V247-K256 WeakPolarHBondContact O-CG 3.14Å; V247-I259 HydrophobicContact CG2-CB 4.46Å; V247-I259 HydrophobicContact CG2-CG2 3.81Å; V247-Q260 HydrophobicContact CG1-CG 3.97Å
248Q83.3Confident82.9Confident142 Ų14257 Ų5766%0.66431%0.31SS*.Hα-helixtrans-64.6-37.3175.4-76.2174.14.100112.6T244 E245 F246 L250 K256T244-Q248 VanDerWaalsContact O-CG 3.3Å; T244-Q248 WeakPolarHBondContact O-CG 3.43Å; T244-Q248 PolarHBondContact O-N 3.27Å; E245-Q248 PolarHBondContact O-N 2.87Å; F246-Q248 PolarHBondContact O-N 2.85Å; Q248-L250 PolarHBondContact O-N 2.86Å; Q248-K256 PolarHBondContact O-NZ 3.06Å
249K80.8Confident82.5Confident68 Ų6856.5 Ų56.530%0.29631%0.307SS..Hα-helixtrans-65.9-18.2179-69.6-176.4-179.4-171.50114.1M198 E245 F246 V247 D292 D294M198-K249 HydrophobicContact CE-CB 3.48Å; M198-K249 VanDerWaalsContact CE-CB 3.48Å; M198-K249 HydrophobicContact CE-CD 4.13Å; M198-K249 HydrophobicContact CE-CG 4.28Å; M198-K249 WeakPolarHBondContact CE-O 3.42Å; M198-K249 WeakPolarHBondContact CG-O 3.39Å; M198-K249 HydrophobicContact SD-CB 3.74Å; E245-K249 PolarHBondContact O-N 3.02Å; F246-K249 WeakPolarHBondContact O-CB 3.42Å; F246-K249 PolarHBondContact O-N 2.88Å; V247-K249 VanDerWaalsContact C-N 3.34Å; V247-K249 PolarHBondContact O-N 3.18Å; K249-D292 VanDerWaalsContact NZ-CG 3.28Å; K249-D292 IonicContact NZ-OD1 2.72Å; K249-D292 PolarHBondContact NZ-OD1 3.45Å; K249-D292 IonicContact NZ-OD2 2.8Å; K249-D292 PolarHBondContact NZ-OD2 3.31Å; K249-D294 IonicContact NZ-OD2 2.81Å; K249-D294 PolarHBondContact NZ-OD2 2.89Å
250L78Confident82.2Confident2 Ų262 Ų621%0.0133%0.332CS..  trans-67.5145.9177.9-49.5-179.9000111.2W197 M198 F246 V247 Q248 K256 I259W197-L250 HydrophobicContact CB-CB 4.44Å; W197-L250 HydrophobicContact CB-CD2 4.07Å; W197-L250 HydrophobicContact CD2-CD1 4.25Å; W197-L250 HydrophobicContact CD2-CD2 3.22Å; W197-L250 HydrophobicContact CD2-CG 4.27Å; W197-L250 HydrophobicContact CE3-CD1 3.59Å; W197-L250 HydrophobicContact CE3-CD2 3.46Å; W197-L250 VanDerWaalsContact CE3-CD2 3.46Å; W197-L250 HydrophobicContact CE3-CG 4.1Å; W197-L250 HydrophobicContact CG-CD2 3.51Å; W197-L250 HydrophobicContact CH2-CD2 4.49Å; W197-L250 HydrophobicContact CZ2-CD2 4.28Å; W197-L250 HydrophobicContact CZ3-CD1 3.98Å; W197-L250 HydrophobicContact CZ3-CD2 4.11Å; W197-L250 CarbonylContact O-C 3.55Å; W197-L250 WeakPolarHBondContact O-CA 3.26Å; M198-L250 HydrophobicContact CG-CD2 4.01Å; M198-L250 HydrophobicContact SD-CD2 3.99Å; F246-L250 HydrophobicContact CD1-CD2 4.37Å; F246-L250 HydrophobicContact CE1-CD2 3.83Å; F246-L250 HydrophobicContact CE1-CG 4.5Å; F246-L250 HydrophobicContact CZ-CD2 4.21Å; V247-L250 WeakPolarHBondContact O-CG 3.29Å; V247-L250 PolarHBondContact O-N 3.41Å; Q248-L250 PolarHBondContact O-N 2.86Å; L250-K256 VanDerWaalsContact C-CE 3.46Å; L250-K256 HydrophobicContact CB-CD 4.47Å; L250-K256 HydrophobicContact CB-CG 3.81Å; L250-K256 HydrophobicContact CD1-CG 4.08Å; L250-K256 HydrophobicContact CG-CG 4.45Å; L250-K256 WeakPolarHBondContact O-CE 3.43Å; L250-K256 PolarHBondContact O-NZ 2.72Å; L250-I259 HydrophobicContact CD1-CD1 3.3Å
251N78.4Confident82.1Confident111 Ų11166 Ų6659%0.59436%0.36SS*.  trans-98.3-24.6177.9-69.3-20.7000111.9W197W197-N251 WeakPolarHBondContact O-CB 3.27Å; W197-N251 PolarHBondContact O-N 3.19Å
252D76.5Confident82.1Confident67 Ų6767 Ų6736%0.35836%0.364SS..  trans-91.2122.5-179.6178.2-132.8000112A254 A255 K256D252-A254 VanDerWaalsContact C-N 3.33Å; D252-A254 PolarHBondContact O-N 2.89Å; D252-A254 WeakPolarHBondContact OD1-CB 3.37Å; D252-A254 PolarHBondContact OD2-N 3.19Å; D252-A255 HydrophobicContact CB-CB 3.98Å; D252-A255 PolarHBondContact O-N 3.44Å; D252-A255 WeakPolarHBondContact OD1-CB 3.43Å; D252-A255 PolarHBondContact OD1-N 3.15Å; D252-K256 WeakPolarHBondContact O-CG 3.45Å; D252-K256 PolarHBondContact O-N 2.99Å
253K82.6Confident82.2Confident176 Ų17671.1 Ų71.177%0.76539%0.391SS*.Hα-helixtrans-65.3-36.9178.6-69.4-175.4-179.1179.50111.6K256 S257K253-K256 PolarHBondContact O-N 3.04Å; K253-S257 PolarHBondContact O-N 3.42Å; K253-S257 PolarHBondContact O-OG 2.79Å
254A78.6Confident82.3Confident65 Ų6575.1 Ų75.154%0.53740%0.398SS..Hα-helixtrans-66.8-43.7-179.400000110.7D252 K256 S257 Y258D252-A254 VanDerWaalsContact C-N 3.33Å; D252-A254 PolarHBondContact O-N 2.89Å; D252-A254 WeakPolarHBondContact OD1-CB 3.37Å; D252-A254 PolarHBondContact OD2-N 3.19Å; A254-K256 PolarHBondContact O-N 2.9Å; A254-S257 PolarHBondContact O-N 3.39Å; A254-Y258 WeakPolarHBondContact O-CB 3.23Å; A254-Y258 PolarHBondContact O-N 3.17Å
255A75.9Confident82.4Confident10 Ų1073 Ų738%0.08339%0.385CS..Hα-helixtrans-61.5-41.5173.600000112.8W197 D252 Y258 I259W197-A255 HydrophobicContact CB-CB 4.39Å; W197-A255 HydrophobicContact CE3-CB 4.06Å; D252-A255 HydrophobicContact CB-CB 3.98Å; D252-A255 PolarHBondContact O-N 3.44Å; D252-A255 WeakPolarHBondContact OD1-CB 3.43Å; D252-A255 PolarHBondContact OD1-N 3.15Å; A255-Y258 PolarHBondContact O-N 3.47Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 3Å
256K84.1Confident82.6Confident57 Ų5771.8 Ų71.825%0.24839%0.389CS..Hα-helixtrans-57.4-53.1173.1-73.2-172.8-170.8-1690111.6V247 Q248 L250 D252 K253 A254 Y258 I259 Q260V247-K256 HydrophobicContact CG1-CB 4.17Å; V247-K256 HydrophobicContact CG1-CD 4.49Å; V247-K256 HydrophobicContact CG1-CG 4.02Å; V247-K256 WeakPolarHBondContact O-CD 3.39Å; V247-K256 WeakPolarHBondContact O-CE 3.35Å; V247-K256 WeakPolarHBondContact O-CG 3.14Å; Q248-K256 PolarHBondContact O-NZ 3.06Å; L250-K256 VanDerWaalsContact C-CE 3.46Å; L250-K256 HydrophobicContact CB-CD 4.47Å; L250-K256 HydrophobicContact CB-CG 3.81Å; L250-K256 HydrophobicContact CD1-CG 4.08Å; L250-K256 HydrophobicContact CG-CG 4.45Å; L250-K256 WeakPolarHBondContact O-CE 3.43Å; L250-K256 PolarHBondContact O-NZ 2.72Å; D252-K256 WeakPolarHBondContact O-CG 3.45Å; D252-K256 PolarHBondContact O-N 2.99Å; K253-K256 PolarHBondContact O-N 3.04Å; A254-K256 PolarHBondContact O-N 2.9Å; K256-Y258 VanDerWaalsContact C-N 3.29Å; K256-Y258 PolarHBondContact O-N 3.04Å; K256-I259 PolarHBondContact O-N 3.41Å; K256-Q260 WeakPolarHBondContact O-CB 3.29Å; K256-Q260 WeakPolarHBondContact O-CG 3.38Å; K256-Q260 PolarHBondContact O-N 2.89Å
257S85.3Confident83Confident73 Ų7375.5 Ų75.551%0.5140%0.402SS..Hα-helixtrans-61.2-39.3-179.8-64.40000111.9K253 A254 Q260 S261K253-S257 PolarHBondContact O-N 3.42Å; K253-S257 PolarHBondContact O-OG 2.79Å; A254-S257 PolarHBondContact O-N 3.39Å; S257-Q260 PolarHBondContact O-N 3.3Å; S257-S261 WeakPolarHBondContact O-CB 3.35Å; S257-S261 PolarHBondContact O-N 2.9Å
258Y82.6Confident83.3Confident63 Ų6379.9 Ų79.925%0.24742%0.421CS..Hα-helixtrans-61.4-53.2176178.6-102.1000111.5L229 L232 T233 A254 A255 K256 Q260 S261 L262L229-Y258 HydrophobicContact CD2-CD2 4.37Å; L229-Y258 HydrophobicContact CD2-CE1 4.17Å; L229-Y258 HydrophobicContact CD2-CE2 4.02Å; L232-Y258 HydrophobicContact CD2-CD1 3.75Å; L232-Y258 HydrophobicContact CD2-CE1 3.46Å; L232-Y258 VanDerWaalsContact CD2-CE1 3.46Å; L232-Y258 HydrophobicContact CG-CE1 4.29Å; T233-Y258 PolarHBondContact OG1-OH 3.46Å; A254-Y258 WeakPolarHBondContact O-CB 3.23Å; A254-Y258 PolarHBondContact O-N 3.17Å; A255-Y258 PolarHBondContact O-N 3.47Å; K256-Y258 VanDerWaalsContact C-N 3.29Å; K256-Y258 PolarHBondContact O-N 3.04Å; Y258-Q260 VanDerWaalsContact C-N 3.32Å; Y258-Q260 PolarHBondContact O-N 2.95Å; Y258-S261 WeakPolarHBondContact O-CB 3.4Å; Y258-S261 PolarHBondContact O-N 3.37Å; Y258-S261 VanDerWaalsContact O-N 3.08Å; Y258-S261 PolarHBondContact O-OG 3.39Å; Y258-L262 HydrophobicContact CD1-CD1 4.35Å; Y258-L262 HydrophobicContact CE1-CD1 3.84Å; Y258-L262 HydrophobicContact CE1-CD2 4.48Å; Y258-L262 HydrophobicContact CE1-CG 4.38Å; Y258-L262 PolarHBondContact O-N 3.04Å
259I82.3Confident83.7Confident1 Ų176.4 Ų76.41%0.00541%0.407CS..Hα-helixtrans-60.4-42.6178.7-64.9168.7000111.7W197 V241 P242 F246 V247 L250 A255 K256 S261 L262W197-I259 HydrophobicContact CE3-CD1 3.89Å; W197-I259 HydrophobicContact CH2-CD1 3.92Å; W197-I259 HydrophobicContact CZ3-CD1 3.14Å; W197-I259 HydrophobicContact CZ3-CG1 4.09Å; V241-I259 HydrophobicContact CG1-CG2 3.87Å; P242-I259 HydrophobicContact CG-CD1 4.47Å; P242-I259 HydrophobicContact CG-CG2 4.03Å; F246-I259 HydrophobicContact CE1-CD1 4.47Å; V247-I259 HydrophobicContact CG2-CB 4.46Å; V247-I259 HydrophobicContact CG2-CG2 3.81Å; L250-I259 HydrophobicContact CD1-CD1 3.3Å; A255-I259 WeakPolarHBondContact O-CG1 3.48Å; A255-I259 PolarHBondContact O-N 3Å; K256-I259 PolarHBondContact O-N 3.41Å; I259-S261 PolarHBondContact O-N 3.24Å; I259-L262 WeakPolarHBondContact O-CB 3.33Å; I259-L262 PolarHBondContact O-N 3.36Å
260Q85.7Confident84.2Confident127 Ų12773.1 Ų73.159%0.59339%0.392SS*.Hα-helixtrans-63.6-25.6178.9-73.4173.3-28.300112.7V247 K256 S257 Y258 L262V247-Q260 HydrophobicContact CG1-CG 3.97Å; K256-Q260 WeakPolarHBondContact O-CB 3.29Å; K256-Q260 WeakPolarHBondContact O-CG 3.38Å; K256-Q260 PolarHBondContact O-N 2.89Å; S257-Q260 PolarHBondContact O-N 3.3Å; Y258-Q260 VanDerWaalsContact C-N 3.32Å; Y258-Q260 PolarHBondContact O-N 2.95Å; Q260-L262 VanDerWaalsContact C-N 3.35Å
261S87.2Confident84.8Confident87 Ų8777.2 Ų77.261%0.60842%0.418SS*.Hα-helixtrans-79-16.3175.677.60000113.7S257 Y258 I259S257-S261 WeakPolarHBondContact O-CB 3.35Å; S257-S261 PolarHBondContact O-N 2.9Å; Y258-S261 WeakPolarHBondContact O-CB 3.4Å; Y258-S261 PolarHBondContact O-N 3.37Å; Y258-S261 VanDerWaalsContact O-N 3.08Å; Y258-S261 PolarHBondContact O-OG 3.39Å; I259-S261 PolarHBondContact O-N 3.24Å
262L85.9Confident85.4Confident37 Ų3779.3 Ų79.319%0.19442%0.424CS..SBendtrans-78142.9-179.1-64.1176.1000111.2L236 V241 Y258 I259 Q260 Q264L236-L262 HydrophobicContact CD1-CD1 3.36Å; V241-L262 HydrophobicContact CG2-CB 4.25Å; Y258-L262 HydrophobicContact CD1-CD1 4.35Å; Y258-L262 HydrophobicContact CE1-CD1 3.84Å; Y258-L262 HydrophobicContact CE1-CD2 4.48Å; Y258-L262 HydrophobicContact CE1-CG 4.38Å; Y258-L262 PolarHBondContact O-N 3.04Å; I259-L262 WeakPolarHBondContact O-CB 3.33Å; I259-L262 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.35Å; L262-Q264 PolarHBondContact O-N 2.89Å
263P86.2Confident86Confident100 Ų10078.5 Ų78.565%0.64942%0.419SS*.PPolyproline II helixtrans-62.9127.7174.426.9-33.5000110V241 T265V241-P263 WeakPolarHBondContact CG2-O 3.48Å; P263-T265 PolarHBondContact O-N 3.34Å; P263-T265 VanDerWaalsContact O-N 3.1Å; P263-T265 PolarHBondContact O-OG1 2.97Å; P263-T265 VanDerWaalsContact O-OG1 3.07Å
264Q84.7Confident86.5Confident127 Ų12770.5 Ų70.559%0.59339%0.385SS*.PPolyproline II helixtrans-56.6119.5176.7-68.4-62.9-45.300109.4L262L262-Q264 PolarHBondContact O-N 2.89Å
265T84.3Confident87.1Confident63 Ų6372.6 Ų72.639%0.38739%0.392SS..  trans-126127.4-178.9-55.40000107.5G240 V241 P263G240-T265 CarbonylContact C-O 3.54Å; G240-T265 WeakPolarHBondContact CA-O 3.46Å; V241-T265 PolarHBondContact N-O 2.89Å; P263-T265 PolarHBondContact O-N 3.34Å; P263-T265 VanDerWaalsContact O-N 3.1Å; P263-T265 PolarHBondContact O-OG1 2.97Å; P263-T265 VanDerWaalsContact O-OG1 3.07Å
266P88Confident87.6Confident109 Ų10981.9 Ų81.971%0.70843%0.425SS*.PPolyproline II helixtrans-65.1155.717828.7-34.7000110.6K268P266-K268 PolarHBondContact O-N 3.16Å
267R89.3Confident88.1Confident92 Ų9280 Ų8035%0.34742%0.421SS..PPolyproline II helixtrans-56.6136.3168.2-177.2178177.3151.37.4109.6T239 E286 E290T239-R267 WeakPolarHBondContact O-CB 3.32Å; R267-E286 VanDerWaalsContact NH2-C 3.29Å; R267-E286 VanDerWaalsContact NH2-CB 3.3Å; R267-E286 PolarHBondContact NH2-O 3.49Å; R267-E290 IonicContact NH1-OE2 3.78Å; R267-E290 PolarHBondContact NH1-OE2 3.37Å
268K89.8Confident88.6Confident100 Ų10077.8 Ų77.844%0.43541%0.405SS..PPolyproline II helixtrans-73.7148.5173.5-73-172174.4175.60110.7K237 V238 P266 F270 L273K237-K268 VanDerWaalsContact O-CD 3.27Å; K237-K268 WeakPolarHBondContact O-CD 3.4Å; K237-K268 WeakPolarHBondContact O-CE 3.47Å; V238-K268 PolarHBondContact O-N 3.13Å; P266-K268 PolarHBondContact O-N 3.16Å; K268-F270 WeakPolarHBondContact O-CD1 3.11Å; K268-F270 PolarHBondContact O-N 3.02Å; K268-L273 HydrophobicContact CB-CD1 3.66Å; K268-L273 HydrophobicContact CB-CG 4.07Å; K268-L273 HydrophobicContact CD-CD1 4.11Å; K268-L273 HydrophobicContact CD-CD2 3.68Å; K268-L273 HydrophobicContact CD-CG 4.1Å
269D91.4Very high89.2Confident69 Ų6980.1 Ų80.137%0.36943%0.428SS..PPolyproline II helixtrans-70.3121169.5177.7-7.5000109.7T271 Q272 L273D269-T271 PolarHBondContact O-N 3.38Å; D269-T271 WeakPolarHBondContact OD1-CA 3.3Å; D269-T271 WeakPolarHBondContact OD1-CB 3.34Å; D269-T271 PolarHBondContact OD1-N 3.35Å; D269-T271 PolarHBondContact OD1-OG1 3.49Å; D269-Q272 HydrophobicContact CB-CB 4.39Å; D269-Q272 HydrophobicContact CB-CG 4.07Å; D269-Q272 PolarHBondContact O-N 2.66Å; D269-Q272 VanDerWaalsContact O-N 3.13Å; D269-L273 PolarHBondContact O-N 2.92Å; D269-L273 VanDerWaalsContact O-N 3.14Å
270F92.3Very high89.9Confident0 Ų083.7 Ų83.70%044%0.444CS..Hα-helixtrans-71.3-21.9-176.6-80.332000112.2V238 K268 Q272 L273 F274 A282 L285 E286 L289V238-F270 HydrophobicContact CG1-CE1 3.94Å; V238-F270 HydrophobicContact CG1-CZ 4.09Å; K268-F270 WeakPolarHBondContact O-CD1 3.11Å; K268-F270 PolarHBondContact O-N 3.02Å; F270-Q272 PolarHBondContact O-N 3.15Å; F270-L273 HydrophobicContact CD1-CD1 3.93Å; F270-L273 HydrophobicContact CE1-CD1 4.17Å; F270-L273 PolarHBondContact O-N 3.37Å; F270-F274 HydrophobicContact CB-CD2 4.01Å; F270-F274 HydrophobicContact CB-CE2 4.31Å; F270-F274 HydrophobicContact CD2-CD2 4.15Å; F270-F274 AromaticContact CD2-CE2 3.72Å; F270-F274 HydrophobicContact CD2-CE2 3.72Å; F270-F274 HydrophobicContact CE2-CE2 4.21Å; F270-F274 HydrophobicContact CG-CD2 4.24Å; F270-F274 HydrophobicContact CG-CE2 4.03Å; F270-F274 WeakPolarHBondContact O-CB 3.35Å; F270-F274 VanDerWaalsContact O-CD2 3.32Å; F270-F274 WeakPolarHBondContact O-CD2 3.42Å; F270-F274 PolarHBondContact O-N 3.44Å; F270-A282 HydrophobicContact CB-CB 4.4Å; F270-L285 HydrophobicContact CD2-CB 3.69Å; F270-L285 VanDerWaalsContact CE2-C 3.48Å; F270-L285 HydrophobicContact CE2-CB 3.91Å; F270-L285 WeakPolarHBondContact CE2-O 3.22Å; F270-E286 HydrophobicContact CB-CG 3.53Å; F270-E286 VanDerWaalsContact CB-OE1 3.31Å; F270-E286 WeakPolarHBondContact CB-OE1 3.41Å; F270-E286 HydrophobicContact CD1-CG 3.75Å; F270-E286 HydrophobicContact CD2-CB 4.11Å; F270-E286 HydrophobicContact CD2-CG 3.29Å; F270-E286 HydrophobicContact CE1-CG 4.27Å; F270-E286 HydrophobicContact CE2-CB 4.33Å; F270-E286 HydrophobicContact CE2-CG 3.86Å; F270-E286 HydrophobicContact CG-CB 4.45Å; F270-E286 HydrophobicContact CG-CG 3.23Å; F270-E286 HydrophobicContact CZ-CG 4.33Å; F270-E286 PolarHBondContact N-OE1 3.28Å; F270-L289 HydrophobicContact CE2-CB 4.01Å; F270-L289 HydrophobicContact CE2-CD1 3.8Å; F270-L289 HydrophobicContact CE2-CG 4.42Å; F270-L289 HydrophobicContact CZ-CB 3.92Å; F270-L289 HydrophobicContact CZ-CD1 4.1Å
271T89.6Confident90.5Very high88 Ų8877.6 Ų77.654%0.5442%0.416SS..Hα-helixtrans-62.5-36.6171.6-42.80000110.8D269 F274 P275D269-T271 PolarHBondContact O-N 3.38Å; D269-T271 WeakPolarHBondContact OD1-CA 3.3Å; D269-T271 WeakPolarHBondContact OD1-CB 3.34Å; D269-T271 PolarHBondContact OD1-N 3.35Å; D269-T271 PolarHBondContact OD1-OG1 3.49Å; T271-F274 CarbonylContact O-C 3.12Å; T271-P275 WeakPolarHBondContact O-CA 3.37Å
272Q90.4Very high90.9Very high154 Ų15473.7 Ų73.772%0.7239%0.389SS*.Hα-helixtrans-78-33.5176.2-63.1-176.612.600112.6D269 F270D269-Q272 HydrophobicContact CB-CB 4.39Å; D269-Q272 HydrophobicContact CB-CG 4.07Å; D269-Q272 PolarHBondContact O-N 2.66Å; D269-Q272 VanDerWaalsContact O-N 3.13Å; F270-Q272 PolarHBondContact O-N 3.15Å
273L90.7Very high91.5Very high51 Ų5174.8 Ų74.827%0.26740%0.395SS..Hα-helixtrans-71.8-35.1176.9-75.7174.2000112.7V238 K268 D269 F270 P275V238-L273 HydrophobicContact CB-CD1 4.46Å; V238-L273 HydrophobicContact CG1-CD1 3.69Å; V238-L273 HydrophobicContact CG2-CD1 4.4Å; K268-L273 HydrophobicContact CB-CD1 3.66Å; K268-L273 HydrophobicContact CB-CG 4.07Å; K268-L273 HydrophobicContact CD-CD1 4.11Å; K268-L273 HydrophobicContact CD-CD2 3.68Å; K268-L273 HydrophobicContact CD-CG 4.1Å; D269-L273 PolarHBondContact O-N 2.92Å; D269-L273 VanDerWaalsContact O-N 3.14Å; F270-L273 HydrophobicContact CD1-CD1 3.93Å; F270-L273 HydrophobicContact CE1-CD1 4.17Å; F270-L273 PolarHBondContact O-N 3.37Å; L273-P275 VanDerWaalsContact C-CD 3.41Å; L273-P275 WeakPolarHBondContact O-CD 3.33Å
274F92.1Very high92.1Very high8 Ų870 Ų704%0.03536%0.364CS..  trans-123.165.3-176.5-52.6-70.6000110.3A214 T218 L222 F270 T271 R276 A277 L285A214-F274 HydrophobicContact CB-CE1 3.75Å; A214-F274 HydrophobicContact CB-CZ 3.81Å; T218-F274 HydrophobicContact CG2-CD1 3.56Å; T218-F274 HydrophobicContact CG2-CE1 3.86Å; L222-F274 HydrophobicContact CD1-CE1 4.28Å; L222-F274 HydrophobicContact CD1-CZ 3.94Å; F270-F274 HydrophobicContact CB-CD2 4.01Å; F270-F274 HydrophobicContact CB-CE2 4.31Å; F270-F274 HydrophobicContact CD2-CD2 4.15Å; F270-F274 AromaticContact CD2-CE2 3.72Å; F270-F274 HydrophobicContact CD2-CE2 3.72Å; F270-F274 HydrophobicContact CE2-CE2 4.21Å; F270-F274 HydrophobicContact CG-CD2 4.24Å; F270-F274 HydrophobicContact CG-CE2 4.03Å; F270-F274 WeakPolarHBondContact O-CB 3.35Å; F270-F274 VanDerWaalsContact O-CD2 3.32Å; F270-F274 WeakPolarHBondContact O-CD2 3.42Å; F270-F274 PolarHBondContact O-N 3.44Å; T271-F274 CarbonylContact O-C 3.12Å; F274-R276 PolarHBondContact O-N 2.98Å; F274-A277 HydrophobicContact CB-CB 3.73Å; F274-A277 WeakPolarHBondContact O-CB 3.33Å; F274-A277 PolarHBondContact O-N 2.66Å; F274-L285 HydrophobicContact CD1-CD1 4.39Å; F274-L285 HydrophobicContact CD2-CD1 3.74Å; F274-L285 HydrophobicContact CE1-CD1 4.36Å; F274-L285 HydrophobicContact CE2-CD1 3.72Å; F274-L285 HydrophobicContact CG-CD1 4.1Å; F274-L285 HydrophobicContact CZ-CD1 4.04Å
275P90.8Very high92.7Very high108 Ų10864 Ų6470%0.70134%0.336SS*.THydrogen-bonded Turntrans-65.6-11.7-171.827.7-37000114.5T271 L273T271-P275 WeakPolarHBondContact O-CA 3.37Å; L273-P275 VanDerWaalsContact C-CD 3.41Å; L273-P275 WeakPolarHBondContact O-CD 3.33Å
276R87.8Confident93.2Very high206 Ų20663.6 Ų63.678%0.77733%0.33SS*.THydrogen-bonded Turntrans-98.9-8.6175.7-65.3-174.9178.4-173.8-2.2113.4F274F274-R276 PolarHBondContact O-N 2.98Å
277A92.8Very high93.7Very high18 Ų1862.1 Ų62.115%0.14931%0.312CS..SBendtrans-79.8143.1179.900000109.9L217 F274 A281L217-A277 HydrophobicContact CD1-CB 4.17Å; L217-A277 HydrophobicContact CD2-CB 4.06Å; F274-A277 HydrophobicContact CB-CB 3.73Å; F274-A277 WeakPolarHBondContact O-CB 3.33Å; F274-A277 PolarHBondContact O-N 2.66Å; A277-A281 HydrophobicContact CB-CB 3.95Å
278S95.8Very high94.1Very high26 Ų2657.8 Ų57.818%0.18230%0.295CS..  trans-61.2160168.273.20000111.7E124 Q280 A281 A282E124-S278 WeakPolarHBondContact OE1-CB 3.37Å; E124-S278 PolarHBondContact OE1-OG 2.77Å; E124-S278 WeakPolarHBondContact OE2-CB 3.32Å; E124-S278 PolarHBondContact OE2-N 3.44Å; S278-Q280 PolarHBondContact O-N 3.3Å; S278-A281 PolarHBondContact O-N 3.21Å; S278-A281 VanDerWaalsContact O-N 3.07Å; S278-A281 PolarHBondContact OG-N 3.22Å; S278-A281 VanDerWaalsContact OG-N 3.15Å; S278-A282 PolarHBondContact O-N 3.19Å
279P96.5Very high94.4Very high111 Ų11153 Ų5372%0.72128%0.275SS*.Hα-helixtrans-54.4-36173.8-27.535.8000113.2D283P279-D283 VanDerWaalsContact O-CB 3.23Å; P279-D283 WeakPolarHBondContact O-CB 3.38Å; P279-D283 PolarHBondContact O-N 3.21Å
280Q97.3Very high94.6Very high76 Ų7651.6 Ų51.636%0.35527%0.266SS..Hα-helixtrans-70.6-37.8177.9-67-177.1-15.200112.3S278 L284 H305 P306 F307S278-Q280 PolarHBondContact O-N 3.3Å; Q280-L284 WeakPolarHBondContact O-CB 3.45Å; Q280-L284 PolarHBondContact O-N 3.43Å; Q280-H305 PolarHBondContact O-CE1 3.1Å; Q280-H305 VanDerWaalsContact O-CE1 3.26Å; Q280-P306 PolarHBondContact OE1-O 2.77Å; Q280-F307 HydrophobicContact CB-CB 4.12Å; Q280-F307 HydrophobicContact CB-CD2 4.06Å
281A97.4Very high94.5Very high0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-66-43.5175.400000111.8M213 L217 A277 S278 L284 L285 F307M213-A281 HydrophobicContact CE-CB 3.84Å; L217-A281 HydrophobicContact CD1-CB 4.43Å; A277-A281 HydrophobicContact CB-CB 3.95Å; S278-A281 PolarHBondContact O-N 3.21Å; S278-A281 VanDerWaalsContact O-N 3.07Å; S278-A281 PolarHBondContact OG-N 3.22Å; S278-A281 VanDerWaalsContact OG-N 3.15Å; A281-L284 PolarHBondContact O-N 2.81Å; A281-L285 WeakPolarHBondContact O-CB 3.44Å; A281-L285 WeakPolarHBondContact O-CG 3.31Å; A281-L285 PolarHBondContact O-N 3.44Å; A281-F307 HydrophobicContact CB-CD2 4.03Å; A281-F307 HydrophobicContact CB-CE2 3.56Å; A281-F307 HydrophobicContact CB-CZ 4.07Å
282A96.8Very high94.4Very high4 Ų448.5 Ų48.53%0.03325%0.246CC..Hα-helixtrans-62.8-47.1176.200000111.5F270 S278 L284 L285 E286F270-A282 HydrophobicContact CB-CB 4.4Å; S278-A282 PolarHBondContact O-N 3.19Å; A282-L284 PolarHBondContact O-N 2.9Å; A282-L285 PolarHBondContact O-N 3.26Å; A282-E286 WeakPolarHBondContact O-CG 3.35Å; A282-E286 PolarHBondContact O-N 2.85Å
283D97.4Very high94.3Very high60 Ų6041.4 Ų41.432%0.32121%0.213SC..Hα-helixtrans-60.5-41.7178.1-176.855.9000112.5P279 E286 K287 H305P279-D283 VanDerWaalsContact O-CB 3.23Å; P279-D283 WeakPolarHBondContact O-CB 3.38Å; P279-D283 PolarHBondContact O-N 3.21Å; D283-E286 PolarHBondContact O-N 3.04Å; D283-K287 WeakPolarHBondContact O-CG 3.4Å; D283-K287 PolarHBondContact O-N 3.47Å; D283-K287 IonicContact OD1-NZ 2.63Å; D283-K287 PolarHBondContact OD1-NZ 3.35Å; D283-K287 IonicContact OD2-NZ 2.64Å; D283-K287 PolarHBondContact OD2-NZ 3.25Å; D283-H305 IonicContact OD2-CE1 3.21Å; D283-H305 IonicContact OD2-NE2 2.98Å; D283-H305 PolarHBondContact OD2-NE2 2.82Å
284L98.2Very high94.2Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-65.4-45.6175.8179.158.3000111.8M213 Q280 A281 A282 E286 K287 M288 L297 A302 H305 F307 F308M213-L284 HydrophobicContact CE-CD2 4.14Å; M213-L284 HydrophobicContact SD-CD2 4Å; M213-L284 HydrophobicContact SD-CG 4.39Å; Q280-L284 WeakPolarHBondContact O-CB 3.45Å; Q280-L284 PolarHBondContact O-N 3.43Å; A281-L284 PolarHBondContact O-N 2.81Å; A282-L284 PolarHBondContact O-N 2.9Å; L284-E286 VanDerWaalsContact C-N 3.28Å; L284-E286 PolarHBondContact O-N 3.37Å; L284-K287 PolarHBondContact O-N 2.72Å; L284-M288 HydrophobicContact CD1-CE 3.88Å; L284-M288 HydrophobicContact CD1-CG 4.3Å; L284-M288 HydrophobicContact CD2-CE 3.73Å; L284-M288 HydrophobicContact CG-CE 3.45Å; L284-M288 VanDerWaalsContact CG-CE 3.45Å; L284-M288 WeakPolarHBondContact O-CG 3.37Å; L284-M288 PolarHBondContact O-N 3.25Å; L284-L297 HydrophobicContact CD1-CD1 4.12Å; L284-A302 HydrophobicContact CD1-CB 4.47Å; L284-H305 HydrophobicContact CD1-CB 4.04Å; L284-F307 HydrophobicContact CD2-CB 4.09Å; L284-F307 HydrophobicContact CD2-CD1 3.49Å; L284-F307 VanDerWaalsContact CD2-CD1 3.49Å; L284-F307 HydrophobicContact CD2-CE1 4.25Å; L284-F307 HydrophobicContact CD2-CG 4.07Å; L284-F308 HydrophobicContact CD2-CE1 4.37Å; L284-F308 HydrophobicContact CD2-CE2 3.58Å; L284-F308 HydrophobicContact CD2-CZ 3.43Å; L284-F308 VanDerWaalsContact CD2-CZ 3.43Å
285L97.6Very high94.2Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-58.8-41.3175.7-83.1175.1000111.4G210 M213 A214 L217 F270 F274 A281 A282 K287 M288 L289G210-L285 VanDerWaalsContact O-CD2 3.23Å; G210-L285 WeakPolarHBondContact O-CD2 3.37Å; M213-L285 HydrophobicContact CB-CD2 3.96Å; M213-L285 HydrophobicContact CE-CG 4.15Å; M213-L285 HydrophobicContact CG-CD2 3.92Å; M213-L285 HydrophobicContact CG-CG 4.3Å; M213-L285 HydrophobicContact SD-CD2 4Å; M213-L285 HydrophobicContact SD-CG 4.05Å; A214-L285 HydrophobicContact CB-CD1 4.42Å; A214-L285 HydrophobicContact CB-CD2 4.07Å; L217-L285 HydrophobicContact CD1-CD1 3.58Å; L217-L285 HydrophobicContact CD1-CG 4.46Å; F270-L285 HydrophobicContact CD2-CB 3.69Å; F270-L285 VanDerWaalsContact CE2-C 3.48Å; F270-L285 HydrophobicContact CE2-CB 3.91Å; F270-L285 WeakPolarHBondContact CE2-O 3.22Å; F274-L285 HydrophobicContact CD1-CD1 4.39Å; F274-L285 HydrophobicContact CD2-CD1 3.74Å; F274-L285 HydrophobicContact CE1-CD1 4.36Å; F274-L285 HydrophobicContact CE2-CD1 3.72Å; F274-L285 HydrophobicContact CG-CD1 4.1Å; F274-L285 HydrophobicContact CZ-CD1 4.04Å; A281-L285 WeakPolarHBondContact O-CB 3.44Å; A281-L285 WeakPolarHBondContact O-CG 3.31Å; A281-L285 PolarHBondContact O-N 3.44Å; A282-L285 PolarHBondContact O-N 3.26Å; L285-K287 VanDerWaalsContact C-N 3.28Å; L285-K287 PolarHBondContact O-N 2.75Å; L285-M288 PolarHBondContact O-N 3.04Å; L285-L289 HydrophobicContact CD2-CD1 4.33Å; L285-L289 WeakPolarHBondContact O-CB 3.3Å; L285-L289 PolarHBondContact O-N 3.34Å
286E96.3Very high94.4Very high56 Ų5645.3 Ų45.326%0.26222%0.222SC..Hα-helixtrans-59.3-41.3177.7-78.9-171.8176.600112R267 F270 A282 D283 L284R267-E286 VanDerWaalsContact NH2-C 3.29Å; R267-E286 VanDerWaalsContact NH2-CB 3.3Å; R267-E286 PolarHBondContact NH2-O 3.49Å; F270-E286 HydrophobicContact CB-CG 3.53Å; F270-E286 VanDerWaalsContact CB-OE1 3.31Å; F270-E286 WeakPolarHBondContact CB-OE1 3.41Å; F270-E286 HydrophobicContact CD1-CG 3.75Å; F270-E286 HydrophobicContact CD2-CB 4.11Å; F270-E286 HydrophobicContact CD2-CG 3.29Å; F270-E286 HydrophobicContact CE1-CG 4.27Å; F270-E286 HydrophobicContact CE2-CB 4.33Å; F270-E286 HydrophobicContact CE2-CG 3.86Å; F270-E286 HydrophobicContact CG-CB 4.45Å; F270-E286 HydrophobicContact CG-CG 3.23Å; F270-E286 HydrophobicContact CZ-CG 4.33Å; F270-E286 PolarHBondContact N-OE1 3.28Å; A282-E286 WeakPolarHBondContact O-CG 3.35Å; A282-E286 PolarHBondContact O-N 2.85Å; D283-E286 PolarHBondContact O-N 3.04Å; L284-E286 VanDerWaalsContact C-N 3.28Å; L284-E286 PolarHBondContact O-N 3.37Å
287K97.2Very high94.9Very high78 Ų7836.7 Ų36.734%0.33919%0.191SC..Hα-helixtrans-75.6-24.5179.3-66.7-179.7171.9790113.6D283 L284 L285 L297D283-K287 WeakPolarHBondContact O-CG 3.4Å; D283-K287 PolarHBondContact O-N 3.47Å; D283-K287 IonicContact OD1-NZ 2.63Å; D283-K287 PolarHBondContact OD1-NZ 3.35Å; D283-K287 IonicContact OD2-NZ 2.64Å; D283-K287 PolarHBondContact OD2-NZ 3.25Å; L284-K287 PolarHBondContact O-N 2.72Å; L285-K287 VanDerWaalsContact C-N 3.28Å; L285-K287 PolarHBondContact O-N 2.75Å; K287-L297 HydrophobicContact CB-CD1 3.45Å; K287-L297 VanDerWaalsContact CB-CD1 3.45Å; K287-L297 HydrophobicContact CB-CD2 4.39Å; K287-L297 HydrophobicContact CB-CG 3.72Å; K287-L297 HydrophobicContact CD-CD1 4.02Å; K287-L297 HydrophobicContact CD-CD2 4.38Å; K287-L297 HydrophobicContact CD-CG 4.48Å; K287-L297 HydrophobicContact CG-CD1 4.39Å; K287-L297 PolarHBondContact O-N 2.94Å
288M98.1Very high95.2Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-84.2-39.8175.4-72.6-158.2-99.500113.3V131 I206 V209 M213 L284 L285 E290 R296V131-M288 HydrophobicContact CG1-CE 4.39Å; I206-M288 HydrophobicContact CG2-CB 4.06Å; I206-M288 HydrophobicContact CG2-CG 3.68Å; I206-M288 HydrophobicContact CG2-SD 4.05Å; V209-M288 HydrophobicContact CB-SD 4.02Å; V209-M288 HydrophobicContact CG1-CE 4.16Å; V209-M288 HydrophobicContact CG1-SD 3.66Å; M213-M288 HydrophobicContact SD-CE 3.54Å; M213-M288 VanDerWaalsContact SD-CE 3.54Å; L284-M288 HydrophobicContact CD1-CE 3.88Å; L284-M288 HydrophobicContact CD1-CG 4.3Å; L284-M288 HydrophobicContact CD2-CE 3.73Å; L284-M288 HydrophobicContact CG-CE 3.45Å; L284-M288 VanDerWaalsContact CG-CE 3.45Å; L284-M288 WeakPolarHBondContact O-CG 3.37Å; L284-M288 PolarHBondContact O-N 3.25Å; L285-M288 PolarHBondContact O-N 3.04Å; M288-E290 PolarHBondContact O-N 2.86Å; M288-E290 VanDerWaalsContact O-N 3.15Å; M288-R296 VanDerWaalsContact O-CD 3.24Å; M288-R296 WeakPolarHBondContact O-CD 3.29Å; M288-R296 VanDerWaalsContact O-CG 3.3Å; M288-R296 WeakPolarHBondContact O-CG 3.36Å
289L96.8Very high95.3Very high0 Ų036.3 Ų36.30%019%0.186CC..SBendtrans-88.641.1179.2-64.7174.6000111.8W207 L222 F223 T239 F270 L285W207-L289 HydrophobicContact CD2-CD2 4.12Å; W207-L289 HydrophobicContact CE3-CD2 4.27Å; W207-L289 HydrophobicContact CH2-CD2 4.5Å; W207-L289 HydrophobicContact CZ2-CD2 4.35Å; W207-L289 HydrophobicContact CZ3-CD2 4.47Å; L222-L289 HydrophobicContact CD2-CD1 3.46Å; L222-L289 VanDerWaalsContact CD2-CD1 3.46Å; L222-L289 HydrophobicContact CD2-CD2 4.33Å; F223-L289 HydrophobicContact CE2-CD2 4.2Å; T239-L289 WeakPolarHBondContact CG2-O 3.42Å; F270-L289 HydrophobicContact CE2-CB 4.01Å; F270-L289 HydrophobicContact CE2-CD1 3.8Å; F270-L289 HydrophobicContact CE2-CG 4.42Å; F270-L289 HydrophobicContact CZ-CB 3.92Å; F270-L289 HydrophobicContact CZ-CD1 4.1Å; L285-L289 HydrophobicContact CD2-CD1 4.33Å; L285-L289 WeakPolarHBondContact O-CB 3.3Å; L285-L289 PolarHBondContact O-N 3.34Å
290E93.9Very high95.4Very high40 Ų4033 Ų3319%0.18717%0.168CC..  trans-85.3130175.717749.3-115.100110.1R267 M288 D292 K295 R296R267-E290 IonicContact NH1-OE2 3.78Å; R267-E290 PolarHBondContact NH1-OE2 3.37Å; M288-E290 PolarHBondContact O-N 2.86Å; M288-E290 VanDerWaalsContact O-N 3.15Å; E290-D292 HydrophobicContact CG-CB 4.44Å; E290-D292 PolarHBondContact OE1-N 2.96Å; E290-K295 HydrophobicContact CG-CB 3.73Å; E290-R296 HydrophobicContact CB-CB 4.04Å; E290-R296 HydrophobicContact CB-CG 4.24Å; E290-R296 HydrophobicContact CG-CB 4.4Å; E290-R296 VanDerWaalsContact O-CZ 3.31Å; E290-R296 PolarHBondContact O-NE 3.33Å; E290-R296 PolarHBondContact O-NH2 3.28Å
291L90.4Very high95.4Very high10 Ų1034.1 Ų34.15%0.05217%0.174CC..SBendtrans-69.8-41.6179.6-80.7176.8000111.1P191 W207 I235 L236 T239 P242 F246 V293P191-L291 HydrophobicContact CB-CD2 4.48Å; P191-L291 HydrophobicContact CG-CD2 3.82Å; W207-L291 HydrophobicContact CH2-CD2 4.27Å; W207-L291 HydrophobicContact CZ3-CD2 4.34Å; I235-L291 HydrophobicContact CG2-CD2 4.02Å; L236-L291 HydrophobicContact CD2-CD1 4.05Å; T239-L291 HydrophobicContact CG2-CG 4.24Å; T239-L291 VanDerWaalsContact OG1-CD1 3.31Å; T239-L291 WeakPolarHBondContact OG1-CD1 3.2Å; T239-L291 WeakPolarHBondContact OG1-CG 2.84Å; P242-L291 HydrophobicContact CB-CD1 4.04Å; P242-L291 HydrophobicContact CG-CD1 4.24Å; F246-L291 HydrophobicContact CE2-CB 4.15Å; F246-L291 WeakPolarHBondContact CE2-O 3.37Å; F246-L291 HydrophobicContact CZ-CB 4.45Å; L291-V293 PolarHBondContact O-N 2.98Å
292D87.4Confident95.5Very high13 Ų1334.1 Ų34.17%0.0717%0.174CC..SBendtrans-73.9109.9-179.8-167.2-11.5000110.7F246 K249 E290 D294 K295 R296F246-D292 HydrophobicContact CD2-CB 4.37Å; K249-D292 VanDerWaalsContact NZ-CG 3.28Å; K249-D292 IonicContact NZ-OD1 2.72Å; K249-D292 PolarHBondContact NZ-OD1 3.45Å; K249-D292 IonicContact NZ-OD2 2.8Å; K249-D292 PolarHBondContact NZ-OD2 3.31Å; E290-D292 HydrophobicContact CG-CB 4.44Å; E290-D292 PolarHBondContact OE1-N 2.96Å; D292-D294 PolarHBondContact O-N 3.27Å; D292-D294 PolarHBondContact OD1-N 3.12Å; D292-K295 HydrophobicContact CB-CB 4.14Å; D292-K295 HydrophobicContact CB-CD 3.97Å; D292-K295 HydrophobicContact CB-CG 4.04Å; D292-K295 PolarHBondContact O-N 3.45Å; D292-K295 VanDerWaalsContact OD2-CE 3.31Å; D292-K295 WeakPolarHBondContact OD2-CE 3.31Å; D292-K295 IonicContact OD2-NZ 3.82Å; D292-R296 PolarHBondContact O-N 3.22Å
293V89.1Confident95.6Very high5 Ų534 Ų343%0.0317%0.172CC..THydrogen-bonded Turntrans-58.2-24-176.2-590000113.7E192 T203 L291E192-V293 HydrophobicContact CB-CG1 4.32Å; E192-V293 VanDerWaalsContact CD-CG1 3.46Å; E192-V293 HydrophobicContact CG-CG1 3.82Å; E192-V293 WeakPolarHBondContact OE1-CG1 3.37Å; T203-V293 PolarHBondContact OG1-O 3.05Å; L291-V293 PolarHBondContact O-N 2.98Å
294D87.7Confident95.6Very high111 Ų11135 Ų3559%0.59418%0.181SC*.THydrogen-bonded Turntrans-83.3-20.1179.1-58.1-40.9000112.4K249 D292K249-D294 IonicContact NZ-OD2 2.81Å; K249-D294 PolarHBondContact NZ-OD2 2.89Å; D292-D294 PolarHBondContact O-N 3.27Å; D292-D294 PolarHBondContact OD1-N 3.12Å
295K92.3Very high95.7Very high132 Ų13235.7 Ų35.757%0.57418%0.184SC*.THydrogen-bonded Turntrans-100-22.7179.5-62.4-178.7-173.6171.50112.6E290 D292E290-K295 HydrophobicContact CG-CB 3.73Å; D292-K295 HydrophobicContact CB-CB 4.14Å; D292-K295 HydrophobicContact CB-CD 3.97Å; D292-K295 HydrophobicContact CB-CG 4.04Å; D292-K295 PolarHBondContact O-N 3.45Å; D292-K295 VanDerWaalsContact OD2-CE 3.31Å; D292-K295 WeakPolarHBondContact OD2-CE 3.31Å; D292-K295 IonicContact OD2-NZ 3.82Å
296R96.1Very high95.7Very high5 Ų538.9 Ų38.92%0.01921%0.205CC..SBendtrans-60.6136176.1-164.1-177.9-56.9146.83.9110.1E192 T203 I206 M288 E290 D292E192-R296 IonicContact OE1-CZ 3.93Å; E192-R296 IonicContact OE1-NH1 3.75Å; E192-R296 PolarHBondContact OE1-NH1 2.86Å; E192-R296 IonicContact OE1-NH2 3.65Å; E192-R296 PolarHBondContact OE1-NH2 2.97Å; E192-R296 IonicContact OE2-CZ 2.83Å; E192-R296 IonicContact OE2-NH1 3.66Å; E192-R296 IonicContact OE2-NH2 3.62Å; E192-R296 PolarHBondContact OE2-NH2 2.91Å; E192-R296 VanDerWaalsContact OE2-NH2 3.12Å; T203-R296 VanDerWaalsContact O-CD 3.26Å; T203-R296 WeakPolarHBondContact O-CD 3.39Å; T203-R296 PolarHBondContact O-NH1 3.27Å; I206-R296 HydrophobicContact CG2-CG 4.23Å; M288-R296 VanDerWaalsContact O-CD 3.24Å; M288-R296 WeakPolarHBondContact O-CD 3.29Å; M288-R296 VanDerWaalsContact O-CG 3.3Å; M288-R296 WeakPolarHBondContact O-CG 3.36Å; E290-R296 HydrophobicContact CB-CB 4.04Å; E290-R296 HydrophobicContact CB-CG 4.24Å; E290-R296 HydrophobicContact CG-CB 4.4Å; E290-R296 VanDerWaalsContact O-CZ 3.31Å; E290-R296 PolarHBondContact O-NE 3.33Å; E290-R296 PolarHBondContact O-NH2 3.28Å; D292-R296 PolarHBondContact O-N 3.22Å
297L98.2Very high95.8Very high25 Ų2536.2 Ų36.213%0.13119%0.192CC..PPolyproline II helixtrans-55.9149178.4-63.9175.7000111.7I206 L284 K287 Q301 A302I206-L297 WeakPolarHBondContact CG1-O 3.41Å; I206-L297 WeakPolarHBondContact CG2-O 3.47Å; L284-L297 HydrophobicContact CD1-CD1 4.12Å; K287-L297 HydrophobicContact CB-CD1 3.45Å; K287-L297 VanDerWaalsContact CB-CD1 3.45Å; K287-L297 HydrophobicContact CB-CD2 4.39Å; K287-L297 HydrophobicContact CB-CG 3.72Å; K287-L297 HydrophobicContact CD-CD1 4.02Å; K287-L297 HydrophobicContact CD-CD2 4.38Å; K287-L297 HydrophobicContact CD-CG 4.48Å; K287-L297 HydrophobicContact CG-CD1 4.39Å; K287-L297 PolarHBondContact O-N 2.94Å; L297-Q301 HydrophobicContact CB-CB 4.4Å; L297-Q301 HydrophobicContact CD2-CB 3.97Å; L297-A302 HydrophobicContact CB-CB 4.36Å; L297-A302 HydrophobicContact CD1-CB 4.11Å
298T98.3Very high95.8Very high36 Ų3632.5 Ų32.522%0.22118%0.176CC..PPolyproline II helixtrans-82.2164.6159.868.40000110.6A300 Q301 A302T298-A300 VanDerWaalsContact C-N 3.27Å; T298-A300 PolarHBondContact O-N 2.98Å; T298-Q301 PolarHBondContact O-N 2.94Å; T298-Q301 WeakPolarHBondContact OG1-CG 3.27Å; T298-Q301 PolarHBondContact OG1-N 3.02Å; T298-Q301 PolarHBondContact OG1-OE1 3.12Å; T298-A302 WeakPolarHBondContact O-CB 3.3Å; T298-A302 PolarHBondContact O-N 3.05Å
299A98.6Very high95.8Very high1 Ų139.6 Ų39.61%0.00821%0.209CC..Hα-helixtrans-56.1-43.617400000111.8L138 K139 I206 Q301 A302 L303L138-A299 HydrophobicContact CB-CB 4.01Å; K139-A299 HydrophobicContact CB-CB 4.06Å; I206-A299 HydrophobicContact CD1-CB 3.92Å; A299-Q301 PolarHBondContact O-N 3.34Å; A299-A302 PolarHBondContact O-N 3.01Å; A299-L303 WeakPolarHBondContact O-CG 3.42Å; A299-L303 PolarHBondContact O-N 3.37Å
300A98.3Very high95.7Very high41 Ų4143.9 Ų43.934%0.33924%0.237SC..Hα-helixtrans-62.1-41.2178.400000112.7K139 T298K139-A300 HydrophobicContact CD-CB 4.42Å; K139-A300 HydrophobicContact CG-CB 4.45Å; T298-A300 VanDerWaalsContact C-N 3.27Å; T298-A300 PolarHBondContact O-N 2.98Å
301Q98.4Very high95.7Very high100 Ų10044 Ų4447%0.46724%0.237SC..Hα-helixtrans-70.4-38.1176.1-69.5165-22.800112L297 T298 A299 L303 T304L297-Q301 HydrophobicContact CB-CB 4.4Å; L297-Q301 HydrophobicContact CD2-CB 3.97Å; T298-Q301 PolarHBondContact O-N 2.94Å; T298-Q301 WeakPolarHBondContact OG1-CG 3.27Å; T298-Q301 PolarHBondContact OG1-N 3.02Å; T298-Q301 PolarHBondContact OG1-OE1 3.12Å; A299-Q301 PolarHBondContact O-N 3.34Å; Q301-L303 VanDerWaalsContact C-N 3.32Å; Q301-L303 PolarHBondContact O-N 2.93Å; Q301-T304 PolarHBondContact O-N 3.03Å; Q301-T304 PolarHBondContact O-OG1 3.1Å
302A98.7Very high96Very high0 Ų048.1 Ų48.10%025%0.252CS..Hα-helixtrans-65.7-35.1177.900000112.3L135 L284 L297 T298 A299 T304 H305 F308L135-A302 HydrophobicContact CD1-CB 3.74Å; L135-A302 HydrophobicContact CD2-CB 3.92Å; L135-A302 HydrophobicContact CG-CB 4.45Å; L284-A302 HydrophobicContact CD1-CB 4.47Å; L297-A302 HydrophobicContact CB-CB 4.36Å; L297-A302 HydrophobicContact CD1-CB 4.11Å; T298-A302 WeakPolarHBondContact O-CB 3.3Å; T298-A302 PolarHBondContact O-N 3.05Å; A299-A302 PolarHBondContact O-N 3.01Å; A302-T304 PolarHBondContact O-N 3.33Å; A302-H305 WeakPolarHBondContact O-CB 3.31Å; A302-H305 PolarHBondContact O-N 3.02Å; A302-F308 WeakPolarHBondContact O-CD2 3.32Å; A302-F308 VanDerWaalsContact O-CE2 3.29Å; A302-F308 WeakPolarHBondContact O-CE2 3.32Å
303L98.6Very high96.4Very high0 Ų048.6 Ų48.60%025%0.254CS..Hα-helixtrans-61.9-24.8175.2-74.7164.1000113.4Y132 L135 K136 K139 A299 Q301 H305 R312 E317Y132-L303 HydrophobicContact CD2-CD2 3.5Å; Y132-L303 HydrophobicContact CE2-CD2 3.33Å; L135-L303 HydrophobicContact CB-CD2 3.73Å; L135-L303 HydrophobicContact CB-CG 3.91Å; K136-L303 HydrophobicContact CG-CD2 3.83Å; K139-L303 HydrophobicContact CB-CD1 3.93Å; K139-L303 HydrophobicContact CD-CD1 3.64Å; K139-L303 HydrophobicContact CG-CD1 4.36Å; A299-L303 WeakPolarHBondContact O-CG 3.42Å; A299-L303 PolarHBondContact O-N 3.37Å; Q301-L303 VanDerWaalsContact C-N 3.32Å; Q301-L303 PolarHBondContact O-N 2.93Å; L303-H305 PolarHBondContact O-N 2.82Å; L303-R312 VanDerWaalsContact O-CD 3.3Å; L303-R312 WeakPolarHBondContact O-CD 3.09Å; L303-R312 PolarHBondContact O-NE 3.04Å; L303-R312 VanDerWaalsContact O-NE 3.17Å; L303-E317 HydrophobicContact CD1-CB 4.41Å; L303-E317 HydrophobicContact CD1-CG 4.1Å; L303-E317 HydrophobicContact CD2-CG 4.43Å
304T98.4Very high96.7Very high83 Ų8352.3 Ų52.351%0.50928%0.278SS..THydrogen-bonded Turntrans-84.13176.675.90000113.5Q301 A302Q301-T304 PolarHBondContact O-N 3.03Å; Q301-T304 PolarHBondContact O-OG1 3.1Å; A302-T304 PolarHBondContact O-N 3.33Å
305H98.7Very high97.1Very high14 Ų1454.9 Ų54.97%0.06529%0.287CS..SBendtrans-72139.3-176.4-163.7-90.5000111.7Q280 D283 L284 A302 L303 F307 F308Q280-H305 PolarHBondContact O-CE1 3.1Å; Q280-H305 VanDerWaalsContact O-CE1 3.26Å; D283-H305 IonicContact OD2-CE1 3.21Å; D283-H305 IonicContact OD2-NE2 2.98Å; D283-H305 PolarHBondContact OD2-NE2 2.82Å; L284-H305 HydrophobicContact CD1-CB 4.04Å; A302-H305 WeakPolarHBondContact O-CB 3.31Å; A302-H305 PolarHBondContact O-N 3.02Å; L303-H305 PolarHBondContact O-N 2.82Å; H305-F307 VanDerWaalsContact ND1-CB 3.29Å; H305-F307 WeakPolarHBondContact ND1-CB 3.41Å; H305-F307 PolarHBondContact ND1-N 2.86Å; H305-F307 PolarHBondContact O-N 2.82Å; H305-F308 HydrophobicContact CB-CD2 4.19Å; H305-F308 HydrophobicContact CB-CE2 4.38Å; H305-F308 PolarHBondContact O-N 2.93Å
306P98.3Very high97.1Very high66 Ų6650.5 Ų50.543%0.42927%0.268SS..G310 helixtrans-54.9-25.9179.5-29.336.3000115Q280 F308 E309Q280-P306 PolarHBondContact OE1-O 2.77Å; P306-F308 PolarHBondContact O-N 2.99Å; P306-F308 VanDerWaalsContact O-N 3.09Å; P306-E309 WeakPolarHBondContact O-CB 3.39Å; P306-E309 PolarHBondContact O-N 3.19Å; P306-E309 VanDerWaalsContact O-N 3.1Å
307F98.3Very high97.2Very high0 Ų050.8 Ų50.80%027%0.27CS..G310 helixtrans-55.3-26175.6-174.9-114.6000113.7E124 I127 Q128 M213 Q280 A281 L284 H305E124-F307 HydrophobicContact CG-CE2 3.8Å; E124-F307 HydrophobicContact CG-CZ 4.12Å; E124-F307 WeakPolarHBondContact OE1-CE2 3.37Å; I127-F307 HydrophobicContact CG2-CZ 4.39Å; Q128-F307 HydrophobicContact CB-CE1 4.19Å; Q128-F307 HydrophobicContact CB-CZ 4.27Å; Q128-F307 HydrophobicContact CG-CD1 3.96Å; Q128-F307 HydrophobicContact CG-CD2 3.97Å; Q128-F307 HydrophobicContact CG-CE1 3.5Å; Q128-F307 HydrophobicContact CG-CE2 3.48Å; Q128-F307 VanDerWaalsContact CG-CE2 3.48Å; Q128-F307 HydrophobicContact CG-CG 4.19Å; Q128-F307 HydrophobicContact CG-CZ 3.25Å; Q128-F307 WeakPolarHBondContact CG-O 3.27Å; Q128-F307 PolarHBondContact NE2-O 2.72Å; Q128-F307 VanDerWaalsContact NE2-O 3.07Å; M213-F307 HydrophobicContact CE-CD1 4.12Å; M213-F307 HydrophobicContact CE-CE1 3.52Å; M213-F307 HydrophobicContact CE-CE2 4.38Å; M213-F307 HydrophobicContact CE-CZ 3.67Å; M213-F307 HydrophobicContact SD-CE1 4.42Å; Q280-F307 HydrophobicContact CB-CB 4.12Å; Q280-F307 HydrophobicContact CB-CD2 4.06Å; A281-F307 HydrophobicContact CB-CD2 4.03Å; A281-F307 HydrophobicContact CB-CE2 3.56Å; A281-F307 HydrophobicContact CB-CZ 4.07Å; L284-F307 HydrophobicContact CD2-CB 4.09Å; L284-F307 HydrophobicContact CD2-CD1 3.49Å; L284-F307 VanDerWaalsContact CD2-CD1 3.49Å; L284-F307 HydrophobicContact CD2-CE1 4.25Å; L284-F307 HydrophobicContact CD2-CG 4.07Å; H305-F307 VanDerWaalsContact ND1-CB 3.29Å; H305-F307 WeakPolarHBondContact ND1-CB 3.41Å; H305-F307 PolarHBondContact ND1-N 2.86Å; H305-F307 PolarHBondContact O-N 2.82Å
308F98.3Very high97.1Very high0 Ų052.6 Ų52.60%028%0.282CS..G310 helixtrans-100.70.8-178.7-57.4-59.2000114.2Q128 V131 Y132 L135 L284 A302 H305 P306 P310 F311 R312Q128-F308 WeakPolarHBondContact O-CE1 3.21Å; V131-F308 HydrophobicContact CB-CE1 4.03Å; V131-F308 HydrophobicContact CB-CZ 4.24Å; V131-F308 HydrophobicContact CG1-CE1 4Å; V131-F308 HydrophobicContact CG1-CZ 3.68Å; Y132-F308 HydrophobicContact CD2-CB 3.84Å; Y132-F308 HydrophobicContact CD2-CD1 4.12Å; Y132-F308 HydrophobicContact CD2-CD2 4.46Å; Y132-F308 AromaticContact CD2-CG 3.89Å; Y132-F308 HydrophobicContact CD2-CG 3.89Å; Y132-F308 HydrophobicContact CE2-CB 4.4Å; Y132-F308 HydrophobicContact CG-CD1 4.38Å; L135-F308 HydrophobicContact CD1-CD2 4.43Å; L135-F308 HydrophobicContact CD1-CE1 4.5Å; L135-F308 HydrophobicContact CD1-CE2 3.4Å; L135-F308 HydrophobicContact CD1-CZ 3.44Å; L135-F308 VanDerWaalsContact CD1-CZ 3.44Å; L284-F308 HydrophobicContact CD2-CE1 4.37Å; L284-F308 HydrophobicContact CD2-CE2 3.58Å; L284-F308 HydrophobicContact CD2-CZ 3.43Å; L284-F308 VanDerWaalsContact CD2-CZ 3.43Å; A302-F308 WeakPolarHBondContact O-CD2 3.32Å; A302-F308 VanDerWaalsContact O-CE2 3.29Å; A302-F308 WeakPolarHBondContact O-CE2 3.32Å; H305-F308 HydrophobicContact CB-CD2 4.19Å; H305-F308 HydrophobicContact CB-CE2 4.38Å; H305-F308 PolarHBondContact O-N 2.93Å; P306-F308 PolarHBondContact O-N 2.99Å; P306-F308 VanDerWaalsContact O-N 3.09Å; F308-P310 VanDerWaalsContact C-N 3.27Å; F308-P310 VanDerWaalsContact O-N 3.1Å; F308-F311 PolarHBondContact O-N 2.9Å; F308-R312 WeakPolarHBondContact O-CB 3.26Å; F308-R312 PolarHBondContact O-N 3.24Å
309E96.7Very high97.1Very high150 Ų15056.5 Ų56.570%0.70130%0.298SS*.THydrogen-bonded Turntrans-48-39.1-177.4-173171.8-154.900114.3P306 F311P306-E309 WeakPolarHBondContact O-CB 3.39Å; P306-E309 PolarHBondContact O-N 3.19Å; P306-E309 VanDerWaalsContact O-N 3.1Å; E309-F311 VanDerWaalsContact C-N 3.27Å; E309-F311 PolarHBondContact O-N 2.83Å
310P95.3Very high97Very high90 Ų9057.2 Ų57.258%0.58430%0.304SS*.THydrogen-bonded Turntrans-63.8-24.9177.9-24.135.5000115.5F308F308-P310 VanDerWaalsContact C-N 3.27Å; F308-P310 VanDerWaalsContact O-N 3.1Å
311F94.4Very high96.8Very high42 Ų4263.7 Ų63.718%0.18433%0.327CS..THydrogen-bonded Turntrans-114.9-12-174-62-68000113.8E125 Q128 Y129 Y132 F308 E309 D313 M363E125-F311 HydrophobicContact CG-CE2 4.19Å; E125-F311 HydrophobicContact CG-CZ 3.76Å; Q128-F311 HydrophobicContact CB-CD2 3.83Å; Q128-F311 HydrophobicContact CB-CE2 3.69Å; Y129-F311 HydrophobicContact CD2-CB 4.42Å; Y129-F311 AromaticContact CD2-CD1 3.63Å; Y129-F311 HydrophobicContact CD2-CD1 3.63Å; Y129-F311 HydrophobicContact CD2-CE1 4.11Å; Y129-F311 AromaticContact CD2-CG 3.95Å; Y129-F311 HydrophobicContact CD2-CG 3.95Å; Y129-F311 HydrophobicContact CE2-CD1 4.34Å; Y129-F311 HydrophobicContact CG-CD1 4.39Å; Y129-F311 HydrophobicContact CG-CE1 4.48Å; Y132-F311 HydrophobicContact CD1-CB 4.16Å; F308-F311 PolarHBondContact O-N 2.9Å; E309-F311 VanDerWaalsContact C-N 3.27Å; E309-F311 PolarHBondContact O-N 2.83Å; F311-D313 PolarHBondContact O-N 3.24Å; F311-M363 HydrophobicContact CE1-CE 3.71Å; F311-M363 HydrophobicContact CE2-CE 4.24Å; F311-M363 HydrophobicContact CZ-CE 3.3Å
312R96.2Very high96.6Very high97 Ų9765.4 Ų65.437%0.36634%0.335SS..  trans-68.2122.7-165.7-167.9-179.3175.8-146.3-6.5111.5Y132 L303 F308 E317Y132-R312 HydrophobicContact CE2-CB 4.35Å; Y132-R312 HydrophobicContact CE2-CG 4.08Å; L303-R312 VanDerWaalsContact O-CD 3.3Å; L303-R312 WeakPolarHBondContact O-CD 3.09Å; L303-R312 PolarHBondContact O-NE 3.04Å; L303-R312 VanDerWaalsContact O-NE 3.17Å; F308-R312 WeakPolarHBondContact O-CB 3.26Å; F308-R312 PolarHBondContact O-N 3.24Å; R312-E317 WeakPolarHBondContact CG-OE1 3.38Å; R312-E317 IonicContact NE-OE1 2.95Å; R312-E317 PolarHBondContact NE-OE1 3.09Å; R312-E317 VanDerWaalsContact NE-OE1 3.14Å; R312-E317 IonicContact NE-OE2 2.72Å; R312-E317 IonicContact NH2-OE2 3.75Å
313D95.8Very high96.4Very high23 Ų2369.8 Ų69.812%0.12336%0.363CS..  trans-130.2101.4170.6-163.6-32.1000110.1Y132 F311 E315 E316 E317 R359Y132-D313 PolarHBondContact OH-N 2.93Å; Y132-D313 PolarHBondContact OH-O 3.45Å; F311-D313 PolarHBondContact O-N 3.24Å; D313-E315 PolarHBondContact O-N 2.9Å; D313-E315 VanDerWaalsContact O-N 3.09Å; D313-E315 WeakPolarHBondContact OD1-CB 3.15Å; D313-E315 PolarHBondContact OD1-N 2.8Å; D313-E316 HydrophobicContact CB-CB 4.4Å; D313-E316 HydrophobicContact CB-CG 4.09Å; D313-E316 PolarHBondContact O-N 3.36Å; D313-E317 PolarHBondContact O-N 2.96Å; D313-R359 IonicContact OD2-CZ 3.34Å; D313-R359 IonicContact OD2-NH1 3.56Å; D313-R359 PolarHBondContact OD2-NH1 2.77Å; D313-R359 IonicContact OD2-NH2 2.71Å
314P96Very high96.1Very high82 Ų8271.2 Ų71.253%0.53237%0.37SS..THydrogen-bonded Turntrans-57.3-22.5179.5-27.136.3000114.9E316 E317P314-E316 VanDerWaalsContact C-N 3.32Å; P314-E317 PolarHBondContact O-N 3.4Å
315E95Very high95.7Very high165 Ų16573.1 Ų73.177%0.77138%0.377SS*.THydrogen-bonded Turntrans-72-27.2177.2-61.9-171.6174.100112.4D313D313-E315 PolarHBondContact O-N 2.9Å; D313-E315 VanDerWaalsContact O-N 3.09Å; D313-E315 WeakPolarHBondContact OD1-CB 3.15Å; D313-E315 PolarHBondContact OD1-N 2.8Å
316E93.4Very high95.2Very high40 Ų4073.3 Ų73.319%0.18738%0.378CS..THydrogen-bonded Turntrans-83.8-18176.3-63.2-177.9175.100112.3K136 D313 P314 T318K136-E316 HydrophobicContact CD-CB 4.09Å; K136-E316 IonicContact NZ-OE2 3.73Å; K136-E316 PolarHBondContact NZ-OE2 3.1Å; D313-E316 HydrophobicContact CB-CB 4.4Å; D313-E316 HydrophobicContact CB-CG 4.09Å; D313-E316 PolarHBondContact O-N 3.36Å; P314-E316 VanDerWaalsContact C-N 3.32Å; E316-T318 PolarHBondContact O-N 2.63Å
317E97.1Very high94.7Very high12 Ų1274.3 Ų74.36%0.05639%0.387CS..SBendtrans-77.555.4179.5-61.4171.6-167.300111.7Y132 K136 K139 L303 R312 D313 P314Y132-E317 WeakPolarHBondContact OH-CG 3.4Å; Y132-E317 PolarHBondContact OH-OE1 3.48Å; K136-E317 HydrophobicContact CD-CG 4.31Å; K136-E317 HydrophobicContact CG-CG 4.19Å; K139-E317 HydrophobicContact CD-CB 4.23Å; K139-E317 VanDerWaalsContact CE-O 3.27Å; K139-E317 WeakPolarHBondContact CE-O 3.47Å; K139-E317 PolarHBondContact NZ-O 3.3Å; L303-E317 HydrophobicContact CD1-CB 4.41Å; L303-E317 HydrophobicContact CD1-CG 4.1Å; L303-E317 HydrophobicContact CD2-CG 4.43Å; R312-E317 WeakPolarHBondContact CG-OE1 3.38Å; R312-E317 IonicContact NE-OE1 2.95Å; R312-E317 PolarHBondContact NE-OE1 3.09Å; R312-E317 VanDerWaalsContact NE-OE1 3.14Å; R312-E317 IonicContact NE-OE2 2.72Å; R312-E317 IonicContact NH2-OE2 3.75Å; D313-E317 PolarHBondContact O-N 2.96Å; P314-E317 PolarHBondContact O-N 3.4Å
318T97.3Very high94.4Very high62 Ų6275.6 Ų75.638%0.3839%0.393SS..  trans-73.9161.2-173.763.10000114H81 E316H81-T318 PolarHBondContact CD2-OG1 3.09Å; H81-T318 VanDerWaalsContact CD2-OG1 3.23Å; E316-T318 PolarHBondContact O-N 2.63Å
319E97.8Very high93.8Very high119 Ų11977 Ų7756%0.55640%0.4SS*.  trans-114.6158.7171.8-67.6-175.6161.800110.4K139 S143K139-E319 HydrophobicContact CG-CG 4.49Å; S143-E319 WeakPolarHBondContact OG-CA 3.39Å; S143-E319 WeakPolarHBondContact OG-CB 3.37Å
320A95.7Very high93.4Very high15 Ų1577.5 Ų77.512%0.12440%0.402CS..  trans-66.4132.7174.300000109.9Y140 S143 A144 Q322Y140-A320 HydrophobicContact CE1-CB 4.33Å; Y140-A320 HydrophobicContact CE2-CB 4.22Å; S143-A320 PolarHBondContact OG-N 3.28Å; A144-A320 HydrophobicContact CB-CB 3.68Å; A320-Q322 PolarHBondContact O-N 3.44Å
321Q94Very high93.2Very high178 Ų17877.9 Ų77.983%0.83240%0.396SS*.SBendtrans-67.4-24.7-177.7-66.71792.500113
322Q94Very high93.1Very high135 Ų13585.1 Ų85.163%0.63143%0.427SS*.SBendtrans-138.6145.7179.6-64.1-61.7-39.400108.5H78 A320H78-Q322 PolarHBondContact CE1-O 2.95Å; H78-Q322 PolarHBondContact NE2-O 2.96Å; A320-Q322 PolarHBondContact O-N 3.44Å
323P94.4Very high93.1Very high92 Ų9281.6 Ų81.660%0.59742%0.416SS*.  trans-58.3152.6167.3-21.633.3000111.4H78 D325H78-P323 PolarHBondContact CE1-O 2.87Å; P323-D325 PolarHBondContact O-N 2.84Å
324F93.5Very high93.1Very high31 Ų3183.7 Ų83.714%0.13643%0.43CS..  trans-74112.7172177.3-112.1000109.9L74 L75 H78 A144 V146 D326L74-F324 HydrophobicContact CB-CE2 3.93Å; L74-F324 HydrophobicContact CB-CZ 3.92Å; L74-F324 HydrophobicContact CD2-CZ 4.38Å; L75-F324 HydrophobicContact CD2-CD1 3.92Å; L75-F324 HydrophobicContact CD2-CD2 4.09Å; L75-F324 HydrophobicContact CD2-CE1 3.63Å; L75-F324 HydrophobicContact CD2-CE2 3.83Å; L75-F324 HydrophobicContact CD2-CG 4.13Å; L75-F324 HydrophobicContact CD2-CZ 3.59Å; L75-F324 HydrophobicContact CG-CE1 4.13Å; L75-F324 HydrophobicContact CG-CE2 4.15Å; L75-F324 HydrophobicContact CG-CZ 3.74Å; H78-F324 HydrophobicContact CB-CD2 3.86Å; H78-F324 HydrophobicContact CB-CE2 4.23Å; H78-F324 AromaticContact CG-CD2 3.75Å; A144-F324 HydrophobicContact CB-CB 4.31Å; A144-F324 WeakPolarHBondContact O-CB 3.31Å; A144-F324 PolarHBondContact O-N 3.35Å; V146-F324 HydrophobicContact CG2-CB 3.64Å; V146-F324 HydrophobicContact CG2-CD1 3.74Å; V146-F324 HydrophobicContact CG2-CG 3.84Å; F324-D326 HydrophobicContact CD1-CB 4.25Å; F324-D326 HydrophobicContact CE1-CB 3.52Å; F324-D326 HydrophobicContact CZ-CB 3.9Å
325D89.4Confident93.2Very high123 Ų12381.8 Ų81.866%0.65842%0.416SS*.  trans-91.5112.6173.9-179.112000110.5P323 S327P323-D325 PolarHBondContact O-N 2.84Å; D325-S327 PolarHBondContact OD1-N 3.31Å; D325-S327 VanDerWaalsContact OD1-N 3.14Å
326D87.6Confident93.3Very high18 Ų1877.9 Ų77.910%0.09640%0.4CS..  trans-123.571.4167.8-173.24.9000109.5R71 F324 L328 E329R71-D326 IonicContact CZ-OD2 2.85Å; R71-D326 IonicContact NH1-OD2 3.61Å; R71-D326 PolarHBondContact NH1-OD2 2.94Å; F324-D326 HydrophobicContact CD1-CB 4.25Å; F324-D326 HydrophobicContact CE1-CB 3.52Å; F324-D326 HydrophobicContact CZ-CB 3.9Å; D326-L328 PolarHBondContact O-N 2.82Å; D326-L328 PolarHBondContact OD1-N 2.83Å; D326-E329 HydrophobicContact CB-CB 4.2Å; D326-E329 VanDerWaalsContact O-CB 3.23Å; D326-E329 WeakPolarHBondContact O-CB 3.43Å; D326-E329 PolarHBondContact O-N 2.95Å; D326-E329 PolarHBondContact OD1-N 3.37Å
327S88.9Confident93.5Very high87 Ų8779.7 Ų79.761%0.60841%0.409SS*.THydrogen-bonded Turntrans-52.3-20.8175.156.30000114.8D325D325-S327 PolarHBondContact OD1-N 3.31Å; D325-S327 VanDerWaalsContact OD1-N 3.14Å
328L91.7Very high93.5Very high26 Ų2679.3 Ų79.314%0.13641%0.407CS..THydrogen-bonded Turntrans-95.23.3178.6-56.2-178.5000113.2Y70 D326 H330 E331 L333 W338Y70-L328 HydrophobicContact CE1-CB 4.22Å; Y70-L328 HydrophobicContact CE1-CD1 4.03Å; D326-L328 PolarHBondContact O-N 2.82Å; D326-L328 PolarHBondContact OD1-N 2.83Å; L328-H330 PolarHBondContact O-N 3.12Å; L328-H330 VanDerWaalsContact O-N 3.13Å; L328-E331 HydrophobicContact CB-CB 4.48Å; L328-E331 HydrophobicContact CD2-CB 4.49Å; L328-E331 HydrophobicContact CD2-CG 4.03Å; L328-E331 PolarHBondContact O-N 2.95Å; L328-L333 HydrophobicContact CD1-CD1 4.16Å; L328-L333 HydrophobicContact CD2-CD1 4.4Å; L328-W338 HydrophobicContact CB-CH2 3.69Å; L328-W338 HydrophobicContact CB-CZ3 3.84Å; L328-W338 HydrophobicContact CD1-CH2 4.48Å; L328-W338 HydrophobicContact CD1-CZ3 3.92Å; L328-W338 WeakPolarHBondContact O-CH2 3.22Å
329E86.1Confident93.6Very high31 Ų3177.4 Ų77.415%0.14539%0.394CS..THydrogen-bonded Turntrans-55.8-37.6-173.5176.4164.5174.800112.9K67 R71 R173 D326K67-E329 WeakPolarHBondContact CE-O 3.32Å; K67-E329 PolarHBondContact NZ-O 3.15Å; R71-E329 IonicContact CZ-OE2 3.87Å; R71-E329 IonicContact NH1-OE1 3.73Å; R71-E329 IonicContact NH1-OE2 2.7Å; R71-E329 PolarHBondContact NH1-OE2 3.49Å; R71-E329 IonicContact NH2-OE1 2.66Å; R71-E329 IonicContact NH2-OE2 2.66Å; R71-E329 PolarHBondContact NH2-OE2 2.96Å; R173-E329 WeakPolarHBondContact CD-OE1 3.31Å; R173-E329 IonicContact CZ-OE1 2.66Å; R173-E329 IonicContact NE-OE1 2.77Å; R173-E329 PolarHBondContact NE-OE1 3.42Å; R173-E329 IonicContact NH1-OE1 3.86Å; R173-E329 PolarHBondContact NH1-OE1 2.78Å; R173-E329 IonicContact NH1-OE2 3.72Å; D326-E329 HydrophobicContact CB-CB 4.2Å; D326-E329 VanDerWaalsContact O-CB 3.23Å; D326-E329 WeakPolarHBondContact O-CB 3.43Å; D326-E329 PolarHBondContact O-N 2.95Å; D326-E329 PolarHBondContact OD1-N 3.37Å
330H87.2Confident93.5Very high160 Ų16076 Ų7674%0.74139%0.387SS*.THydrogen-bonded Turntrans-99.8-1.5-178.7-62.3-54000113.8L328L328-H330 PolarHBondContact O-N 3.12Å; L328-H330 VanDerWaalsContact O-N 3.13Å
331E91.2Very high93.6Very high98 Ų9878.2 Ų78.246%0.45839%0.394SS..  trans-74.3147.4-179.3-68.7-58.5144.300112.1K67 L328 L333K67-E331 PolarHBondContact NZ-O 2.81Å; L328-E331 HydrophobicContact CB-CB 4.48Å; L328-E331 HydrophobicContact CD2-CB 4.49Å; L328-E331 HydrophobicContact CD2-CG 4.03Å; L328-E331 PolarHBondContact O-N 2.95Å; E331-L333 HydrophobicContact CB-CD2 4.17Å; E331-L333 HydrophobicContact CB-CG 4.05Å
332K92.1Very high93.8Very high194 Ų19469.7 Ų69.784%0.84336%0.355SS*.  trans-110.586.5173.5-70.2-175.3-179.5179.90108.7
333L96.1Very high94Very high23 Ų2365.5 Ų65.512%0.1233%0.334CS..  trans-100.3150.7178-48.6177.9000110.5L328 E331 E337 W338L328-L333 HydrophobicContact CD1-CD1 4.16Å; L328-L333 HydrophobicContact CD2-CD1 4.4Å; E331-L333 HydrophobicContact CB-CD2 4.17Å; E331-L333 HydrophobicContact CB-CG 4.05Å; L333-E337 HydrophobicContact CB-CB 3.8Å; L333-E337 HydrophobicContact CD1-CB 4.45Å; L333-W338 HydrophobicContact CB-CD2 4.19Å; L333-W338 HydrophobicContact CB-CG 4.31Å; L333-W338 HydrophobicContact CB-CZ2 4.13Å; L333-W338 HydrophobicContact CD1-CD2 4.18Å; L333-W338 HydrophobicContact CD1-CE3 4.17Å; L333-W338 HydrophobicContact CD1-CH2 4.02Å; L333-W338 HydrophobicContact CD1-CZ2 4.02Å; L333-W338 HydrophobicContact CD1-CZ3 4.08Å; L333-W338 HydrophobicContact CG-CH2 4.45Å; L333-W338 HydrophobicContact CG-CZ2 4.01Å; L333-W338 VanDerWaalsContact O-CD1 3.24Å; L333-W338 PolarHBondContact O-NE1 3.2Å
334T97.5Very high94.1Very high67 Ų6767 Ų6741%0.41133%0.331SS..  trans-64.7163.2171.364.20000111.2D336 E337 W338T334-D336 PolarHBondContact O-N 2.99Å; T334-E337 WeakPolarHBondContact CB-OE2 3.31Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.32Å; T334-E337 PolarHBondContact N-OE2 3.14Å; T334-E337 PolarHBondContact O-N 2.86Å; T334-E337 WeakPolarHBondContact OG1-CG 3.28Å; T334-E337 PolarHBondContact OG1-N 2.74Å; T334-E337 PolarHBondContact OG1-OE2 3.34Å; T334-W338 VanDerWaalsContact O-CD1 3.24Å; T334-W338 PolarHBondContact O-N 2.87Å
335V97.2Very high94.2Very high41 Ų4167.6 Ų67.625%0.24833%0.334CS..Hα-helixtrans-55.4-38.8175.3174.80000112.2F60 E63 K339F60-V335 HydrophobicContact CB-CG1 3.79Å; F60-V335 VanDerWaalsContact O-CG1 3.3Å; F60-V335 WeakPolarHBondContact O-CG1 3.23Å; E63-V335 HydrophobicContact CG-CG2 3.9Å; V335-K339 WeakPolarHBondContact O-CB 3.48Å; V335-K339 PolarHBondContact O-N 3.18Å
336D97.1Very high94.6Very high83 Ų8362.4 Ų62.444%0.44431%0.306SS..Hα-helixtrans-71.2-39.1-178.5-166.571.4000112.1T334 K339 Q340T334-D336 PolarHBondContact O-N 2.99Å; D336-K339 WeakPolarHBondContact O-CB 3.46Å; D336-K339 PolarHBondContact O-N 2.83Å; D336-Q340 VanDerWaalsContact O-CG 3.29Å; D336-Q340 WeakPolarHBondContact O-CG 3.21Å; D336-Q340 PolarHBondContact O-N 3.06Å; D336-Q340 PolarHBondContact OD2-NE2 3.44Å
337E97.8Very high94.9Very high78 Ų7865.9 Ų65.936%0.36433%0.327SS..Hα-helixtrans-63.3-47.2174.3-72.2164.9134.300111.3L333 T334 K339 Q340 H341L333-E337 HydrophobicContact CB-CB 3.8Å; L333-E337 HydrophobicContact CD1-CB 4.45Å; T334-E337 WeakPolarHBondContact CB-OE2 3.31Å; T334-E337 WeakPolarHBondContact CG2-OE2 3.32Å; T334-E337 PolarHBondContact N-OE2 3.14Å; T334-E337 PolarHBondContact O-N 2.86Å; T334-E337 WeakPolarHBondContact OG1-CG 3.28Å; T334-E337 PolarHBondContact OG1-N 2.74Å; T334-E337 PolarHBondContact OG1-OE2 3.34Å; E337-K339 VanDerWaalsContact C-N 3.27Å; E337-K339 PolarHBondContact O-N 2.88Å; E337-Q340 WeakPolarHBondContact O-CB 3.43Å; E337-Q340 PolarHBondContact O-N 2.94Å; E337-Q340 VanDerWaalsContact O-N 3.12Å; E337-H341 PolarHBondContact O-CD2 3.46Å; E337-H341 PolarHBondContact O-N 3.49Å
338W97.6Very high95.2Very high4 Ų466.3 Ų66.32%0.01532%0.323CS..Hα-helixtrans-57.6-42.5173.4-76.6119.3000112.3A66 K67 Y70 L328 L333 T334 Q340 H341 I342A66-W338 HydrophobicContact CB-CB 3.63Å; A66-W338 HydrophobicContact CB-CG 4.06Å; K67-W338 HydrophobicContact CB-CD2 4.16Å; K67-W338 HydrophobicContact CB-CZ2 3.98Å; K67-W338 HydrophobicContact CD-CH2 4.12Å; K67-W338 HydrophobicContact CD-CZ2 3.59Å; K67-W338 HydrophobicContact CG-CH2 3.87Å; K67-W338 HydrophobicContact CG-CZ2 3.61Å; K67-W338 HydrophobicContact CG-CZ3 4.43Å; Y70-W338 AromaticContact CD1-CE3 3.9Å; Y70-W338 HydrophobicContact CD1-CE3 3.9Å; Y70-W338 HydrophobicContact CD1-CH2 4.44Å; Y70-W338 AromaticContact CD1-CZ3 3.42Å; Y70-W338 HydrophobicContact CD1-CZ3 3.42Å; Y70-W338 VanDerWaalsContact CD1-CZ3 3.42Å; Y70-W338 AromaticContact CE1-CZ3 3.79Å; Y70-W338 HydrophobicContact CE1-CZ3 3.79Å; Y70-W338 AromaticContact CG-CE3 3.89Å; Y70-W338 HydrophobicContact CG-CE3 3.89Å; Y70-W338 AromaticContact CG-CZ3 3.92Å; Y70-W338 HydrophobicContact CG-CZ3 3.92Å; L328-W338 HydrophobicContact CB-CH2 3.69Å; L328-W338 HydrophobicContact CB-CZ3 3.84Å; L328-W338 HydrophobicContact CD1-CH2 4.48Å; L328-W338 HydrophobicContact CD1-CZ3 3.92Å; L328-W338 WeakPolarHBondContact O-CH2 3.22Å; L333-W338 HydrophobicContact CB-CD2 4.19Å; L333-W338 HydrophobicContact CB-CG 4.31Å; L333-W338 HydrophobicContact CB-CZ2 4.13Å; L333-W338 HydrophobicContact CD1-CD2 4.18Å; L333-W338 HydrophobicContact CD1-CE3 4.17Å; L333-W338 HydrophobicContact CD1-CH2 4.02Å; L333-W338 HydrophobicContact CD1-CZ2 4.02Å; L333-W338 HydrophobicContact CD1-CZ3 4.08Å; L333-W338 HydrophobicContact CG-CH2 4.45Å; L333-W338 HydrophobicContact CG-CZ2 4.01Å; L333-W338 VanDerWaalsContact O-CD1 3.24Å; L333-W338 PolarHBondContact O-NE1 3.2Å; T334-W338 VanDerWaalsContact O-CD1 3.24Å; T334-W338 PolarHBondContact O-N 2.87Å; W338-Q340 VanDerWaalsContact C-N 3.32Å; W338-Q340 PolarHBondContact O-N 3.12Å; W338-H341 PolarHBondContact O-N 3.29Å; W338-I342 WeakPolarHBondContact O-CG1 3.33Å; W338-I342 PolarHBondContact O-N 3.2Å
339K97.7Very high95.3Very high23 Ų2366.3 Ų66.310%0.132%0.322CS..Hα-helixtrans-62-38.7177.2177.5-175.2176.2175.70112.1F60 L97 F100 V335 D336 E337 Y343F60-K339 HydrophobicContact CD1-CB 3.86Å; F60-K339 HydrophobicContact CD1-CG 4.12Å; F60-K339 HydrophobicContact CE1-CB 3.82Å; F60-K339 HydrophobicContact CE1-CG 3.89Å; F60-K339 HydrophobicContact CE2-CG 4.38Å; F60-K339 HydrophobicContact CG-CD 4.48Å; F60-K339 HydrophobicContact CG-CG 4.49Å; F60-K339 HydrophobicContact CZ-CB 4.48Å; F60-K339 HydrophobicContact CZ-CG 4.05Å; L97-K339 HydrophobicContact CD1-CG 4.16Å; F100-K339 HydrophobicContact CD1-CD 4.41Å; F100-K339 HydrophobicContact CD1-CG 3.59Å; F100-K339 HydrophobicContact CE1-CG 4.03Å; F100-K339 WeakPolarHBondContact O-CE 3.48Å; F100-K339 PolarHBondContact O-NZ 2.71Å; V335-K339 WeakPolarHBondContact O-CB 3.48Å; V335-K339 PolarHBondContact O-N 3.18Å; D336-K339 WeakPolarHBondContact O-CB 3.46Å; D336-K339 PolarHBondContact O-N 2.83Å; E337-K339 VanDerWaalsContact C-N 3.27Å; E337-K339 PolarHBondContact O-N 2.88Å; K339-Y343 WeakPolarHBondContact O-CB 3.21Å; K339-Y343 PolarHBondContact O-N 3.01Å
340Q97.8Very high95.4Very high89 Ų8969.1 Ų69.142%0.41635%0.345SS..Hα-helixtrans-62.1-46.7174-72.8174.337.300111.5L97 D336 E337 W338 Y343 K344L97-Q340 HydrophobicContact CD1-CG 4.25Å; L97-Q340 HydrophobicContact CD2-CG 3.63Å; D336-Q340 VanDerWaalsContact O-CG 3.29Å; D336-Q340 WeakPolarHBondContact O-CG 3.21Å; D336-Q340 PolarHBondContact O-N 3.06Å; D336-Q340 PolarHBondContact OD2-NE2 3.44Å; E337-Q340 WeakPolarHBondContact O-CB 3.43Å; E337-Q340 PolarHBondContact O-N 2.94Å; E337-Q340 VanDerWaalsContact O-N 3.12Å; W338-Q340 VanDerWaalsContact C-N 3.32Å; W338-Q340 PolarHBondContact O-N 3.12Å; Q340-Y343 PolarHBondContact O-N 3.11Å; Q340-K344 PolarHBondContact O-N 3.12Å
341H97.6Very high95.1Very high61 Ų6165.8 Ų65.828%0.28234%0.338SS..Hα-helixtrans-60.6-48.8176.3-76.6-73.8000111.8Y70 E337 W338 Y343 K344 E345Y70-H341 HydrophobicContact CD2-CB 3.91Å; Y70-H341 HydrophobicContact CE2-CB 3.66Å; E337-H341 PolarHBondContact O-CD2 3.46Å; E337-H341 PolarHBondContact O-N 3.49Å; W338-H341 PolarHBondContact O-N 3.29Å; H341-Y343 VanDerWaalsContact C-N 3.33Å; H341-Y343 PolarHBondContact O-N 2.78Å; H341-K344 WeakPolarHBondContact O-CB 3.18Å; H341-K344 PolarHBondContact O-N 2.76Å; H341-E345 WeakPolarHBondContact O-CG 3.47Å; H341-E345 PolarHBondContact O-N 3.08Å
342I97.6Very high94.3Very high0 Ų065 Ų650%034%0.336CS..Hα-helixtrans-57.3-47.5176.4-68.9163.2000110.9F60 A66 A69 Y70 L73 F100 F103 W338 K344 E345 I346F60-I342 HydrophobicContact CE1-CD1 3.7Å; F60-I342 HydrophobicContact CZ-CD1 4.48Å; A66-I342 WeakPolarHBondContact O-CD1 3.42Å; A69-I342 HydrophobicContact CB-CD1 4.16Å; Y70-I342 HydrophobicContact CD2-CG1 3.9Å; Y70-I342 HydrophobicContact CG-CG1 4.28Å; L73-I342 HydrophobicContact CD2-CG2 4.16Å; F100-I342 HydrophobicContact CE1-CB 4.22Å; F100-I342 HydrophobicContact CE1-CG2 3.83Å; F100-I342 HydrophobicContact CZ-CG2 3.68Å; F103-I342 HydrophobicContact CD1-CG2 4.34Å; F103-I342 HydrophobicContact CE1-CG2 4.07Å; F103-I342 HydrophobicContact CZ-CG2 4.26Å; W338-I342 WeakPolarHBondContact O-CG1 3.33Å; W338-I342 PolarHBondContact O-N 3.2Å; I342-K344 VanDerWaalsContact C-N 3.31Å; I342-K344 PolarHBondContact O-N 3.37Å; I342-E345 PolarHBondContact O-N 3.45Å; I342-E345 VanDerWaalsContact O-N 3.15Å; I342-I346 HydrophobicContact CG2-CD1 3.84Å; I342-I346 HydrophobicContact CG2-CG1 4.37Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 3.18Å
343Y97.7Very high93Very high47 Ų4760 Ų6018%0.18433%0.331CS..Hα-helixtrans-60.3-41.9-178.9-170.9-104.2000111.9T92 S96 L97 F100 K339 Q340 H341 E345 I346 V347T92-Y343 HydrophobicContact CG2-CE2 4.18Å; S96-Y343 VanDerWaalsContact CA-OH 3.29Å; S96-Y343 WeakPolarHBondContact CA-OH 3.5Å; S96-Y343 PolarHBondContact N-OH 3.42Å; L97-Y343 HydrophobicContact CB-CD1 4.04Å; L97-Y343 HydrophobicContact CB-CE1 4.16Å; L97-Y343 HydrophobicContact CB-CG 4.4Å; L97-Y343 HydrophobicContact CD1-CD1 4.24Å; L97-Y343 HydrophobicContact CD1-CG 3.96Å; F100-Y343 HydrophobicContact CB-CD2 4.01Å; F100-Y343 HydrophobicContact CB-CE2 4.35Å; F100-Y343 AromaticContact CD1-CD2 3.68Å; F100-Y343 HydrophobicContact CD1-CD2 3.68Å; F100-Y343 HydrophobicContact CD1-CG 4.13Å; F100-Y343 HydrophobicContact CD2-CD2 4.13Å; F100-Y343 HydrophobicContact CE1-CD2 4.15Å; F100-Y343 AromaticContact CG-CD2 3.68Å; F100-Y343 HydrophobicContact CG-CD2 3.68Å; F100-Y343 HydrophobicContact CG-CE2 4.36Å; K339-Y343 WeakPolarHBondContact O-CB 3.21Å; K339-Y343 PolarHBondContact O-N 3.01Å; Q340-Y343 PolarHBondContact O-N 3.11Å; H341-Y343 VanDerWaalsContact C-N 3.33Å; H341-Y343 PolarHBondContact O-N 2.78Å; Y343-E345 VanDerWaalsContact C-N 3.35Å; Y343-E345 PolarHBondContact O-N 2.93Å; Y343-I346 PolarHBondContact O-N 2.91Å; Y343-V347 HydrophobicContact CD1-CG2 4.15Å; Y343-V347 HydrophobicContact CE1-CG2 3.79Å; Y343-V347 HydrophobicContact CE2-CG2 4.43Å; Y343-V347 WeakPolarHBondContact O-CG2 3.02Å; Y343-V347 PolarHBondContact O-N 3.42Å
344K97Very high91.4Very high123 Ų12362.8 Ų62.854%0.53534%0.34SS..Hα-helixtrans-60-44.3174.9-175.7-177.3177.9-173.60111.6Q340 H341 I342 I346 V347 N348Q340-K344 PolarHBondContact O-N 3.12Å; H341-K344 WeakPolarHBondContact O-CB 3.18Å; H341-K344 PolarHBondContact O-N 2.76Å; I342-K344 VanDerWaalsContact C-N 3.31Å; I342-K344 PolarHBondContact O-N 3.37Å; K344-I346 VanDerWaalsContact C-N 3.32Å; K344-I346 PolarHBondContact O-N 3.28Å; K344-V347 PolarHBondContact O-N 2.88Å; K344-N348 WeakPolarHBondContact O-CB 3.27Å; K344-N348 PolarHBondContact O-N 3.1Å
345E96.4Very high89.4Confident43 Ų4368.5 Ų68.520%0.20136%0.359CS..Hα-helixtrans-65.3-33.8179.1-68.3-53.7135.600113.6Y70 L73 L74 K77 H341 I342 Y343 F349Y70-E345 HydrophobicContact CE2-CG 4.04Å; L73-E345 HydrophobicContact CD2-CB 3.63Å; L73-E345 HydrophobicContact CG-CB 4.32Å; L74-E345 HydrophobicContact CD1-CG 3.78Å; K77-E345 PolarHBondContact NZ-O 2.89Å; K77-E345 IonicContact NZ-OE2 3.36Å; K77-E345 PolarHBondContact NZ-OE2 3.14Å; H341-E345 WeakPolarHBondContact O-CG 3.47Å; H341-E345 PolarHBondContact O-N 3.08Å; I342-E345 PolarHBondContact O-N 3.45Å; I342-E345 VanDerWaalsContact O-N 3.15Å; Y343-E345 VanDerWaalsContact C-N 3.35Å; Y343-E345 PolarHBondContact O-N 2.93Å; E345-F349 PolarHBondContact O-N 2.66Å
346I96.7Very high87.6Confident15 Ų1570.6 Ų70.68%0.07737%0.369CS..Hα-helixtrans-69.8-47.9174.7-64.6173.2000110.5L73 V90 T92 F100 F103 I342 Y343 K344 N348 F349L73-I346 HydrophobicContact CD2-CG1 3.83Å; V90-I346 HydrophobicContact CG1-CG2 4.49Å; V90-I346 HydrophobicContact CG2-CD1 4.31Å; V90-I346 HydrophobicContact CG2-CG1 3.79Å; V90-I346 HydrophobicContact CG2-CG2 4.33Å; T92-I346 HydrophobicContact CG2-CG2 4.39Å; F100-I346 HydrophobicContact CE2-CD1 3.96Å; F100-I346 HydrophobicContact CZ-CD1 3.6Å; F103-I346 HydrophobicContact CB-CD1 3.6Å; F103-I346 HydrophobicContact CD1-CD1 4.44Å; F103-I346 HydrophobicContact CD2-CD1 4.02Å; F103-I346 HydrophobicContact CG-CD1 3.79Å; I342-I346 HydrophobicContact CG2-CD1 3.84Å; I342-I346 HydrophobicContact CG2-CG1 4.37Å; I342-I346 WeakPolarHBondContact O-CG1 3.44Å; I342-I346 PolarHBondContact O-N 3.18Å; Y343-I346 PolarHBondContact O-N 2.91Å; K344-I346 VanDerWaalsContact C-N 3.32Å; K344-I346 PolarHBondContact O-N 3.28Å; I346-N348 VanDerWaalsContact C-N 3.28Å; I346-N348 PolarHBondContact O-N 3.43Å; I346-F349 WeakPolarHBondContact O-CB 3.35Å; I346-F349 PolarHBondContact O-N 3.31Å
347V94.4Very high85.6Confident90 Ų9068.4 Ų68.455%0.54536%0.36SS..Hα-helixtrans-64.4-34.8-178.4171.60000111.8Y343 K344 F349Y343-V347 HydrophobicContact CD1-CG2 4.15Å; Y343-V347 HydrophobicContact CE1-CG2 3.79Å; Y343-V347 HydrophobicContact CE2-CG2 4.43Å; Y343-V347 WeakPolarHBondContact O-CG2 3.02Å; Y343-V347 PolarHBondContact O-N 3.42Å; K344-V347 PolarHBondContact O-N 2.88Å; V347-F349 VanDerWaalsContact C-N 3.32Å
348N94.1Very high83.4Confident97 Ų9776.3 Ų76.352%0.51939%0.386SS..THydrogen-bonded Turntrans-86.20.6179.8-68-8.6000113.7K344 I346 S350K344-N348 WeakPolarHBondContact O-CB 3.27Å; K344-N348 PolarHBondContact O-N 3.1Å; I346-N348 VanDerWaalsContact C-N 3.28Å; I346-N348 PolarHBondContact O-N 3.43Å; N348-S350 PolarHBondContact O-N 3.1Å
349F94.4Very high81.5Confident26 Ų2683.5 Ų83.511%0.11441%0.413CS..  trans-67.6132.5-179.8-179.5-98.4000111.1K77 L87 V90 E345 I346 V347 P351K77-F349 HydrophobicContact CD-CD2 4.12Å; K77-F349 HydrophobicContact CG-CD2 3.92Å; K77-F349 HydrophobicContact CG-CE2 4.18Å; L87-F349 HydrophobicContact CB-CE2 4.16Å; L87-F349 HydrophobicContact CB-CZ 4.4Å; L87-F349 HydrophobicContact CD2-CD2 4.02Å; L87-F349 HydrophobicContact CD2-CE2 3.69Å; L87-F349 HydrophobicContact CD2-CZ 4.29Å; L87-F349 HydrophobicContact CG-CE2 4.06Å; L87-F349 HydrophobicContact CG-CZ 4.22Å; V90-F349 HydrophobicContact CG1-CB 3.49Å; V90-F349 VanDerWaalsContact CG1-CB 3.49Å; V90-F349 HydrophobicContact CG1-CD1 3.79Å; V90-F349 HydrophobicContact CG1-CD2 3.87Å; V90-F349 HydrophobicContact CG1-CG 3.42Å; V90-F349 VanDerWaalsContact CG1-CG 3.42Å; E345-F349 PolarHBondContact O-N 2.66Å; I346-F349 WeakPolarHBondContact O-CB 3.35Å; I346-F349 PolarHBondContact O-N 3.31Å; V347-F349 VanDerWaalsContact C-N 3.32Å; F349-P351 HydrophobicContact CE1-CB 4.41Å; F349-P351 HydrophobicContact CE1-CG 4.09Å
350S89Confident79.7Confident89 Ų8992.4 Ų92.462%0.62245%0.446SS*.  trans-124.6126.2171.8-66.30000108.5N348 I352N348-S350 PolarHBondContact O-N 3.1Å; S350-I352 PolarHBondContact O-N 3.21Å
351P81.2Confident78.1Confident91 Ų9190.1 Ų90.159%0.59144%0.44SS*.PPolyproline II helixtrans-58133.6178.5-22.931.8000111.4F349F349-P351 HydrophobicContact CE1-CB 4.41Å; F349-P351 HydrophobicContact CE1-CG 4.09Å
352I72.8Confident76.7Confident81 Ų8190.5 Ų90.542%0.41546%0.461SS..PPolyproline II helixtrans-96.8138.5174.1-62.1145.2000108.2Q80 S350 R354Q80-I352 HydrophobicContact CG-CD1 4.3Å; S350-I352 PolarHBondContact O-N 3.21Å; I352-R354 PolarHBondContact O-N 3Å
353A65Low75.7Confident90 Ų9091.2 Ų91.274%0.74446%0.464SS*.PPolyproline II helixtrans-62.6125.3172.900000109.8
354R63.1Low74.7Confident81 Ų8196.1 Ų96.131%0.30649%0.487SS..PPolyproline II helixtrans-61140.2177.4-84.6-171.9175.31587.2111.3E49 L88 P108 I352 D356E49-R354 IonicContact OE2-CZ 3.14Å; E49-R354 IonicContact OE2-NH1 3.12Å; E49-R354 PolarHBondContact OE2-NH1 2.9Å; L88-R354 HydrophobicContact CD2-CG 4.03Å; P108-R354 VanDerWaalsContact CB-NH2 3.34Å; P108-R354 VanDerWaalsContact CG-NH2 3.33Å; I352-R354 PolarHBondContact O-N 3Å; R354-D356 WeakPolarHBondContact CD-OD1 3.46Å
355K56.4Low73.5Confident186 Ų18693.5 Ų93.581%0.80948%0.478SS*.  trans-103.592156.1-67.4-178-178.9178.20106.9
356D57.6Low72.4Confident86 Ų8696.1 Ų96.146%0.4649%0.492SS..  trans-78156169-68.3-38000109.8R354 R358R354-D356 WeakPolarHBondContact CD-OD1 3.46Å; D356-R358 PolarHBondContact O-N 2.92Å
357S55.3Low71.1Confident37 Ų37100.3 Ų100.326%0.25951%0.514SS..  trans-56.2136.9-177-159.40000111.2E82 R359E82-S357 WeakPolarHBondContact OE2-CB 3.36Å; E82-S357 PolarHBondContact OE2-OG 2.7Å; S357-R359 VanDerWaalsContact C-N 3.29Å
358R52.4Low69.8Low243 Ų243100.9 Ų100.992%0.91751%0.512SS*.SBendtrans-79-16.3176.7-70.6-179177.2174.2-1112.3D356D356-R358 PolarHBondContact O-N 2.92Å
359R57Low68.4Low155 Ų155101.1 Ų101.159%0.58551%0.512SS*.  trans-118.7123.4-175.1-75.8-176.6170.9162.87.5110.8D313 S357D313-R359 IonicContact OD2-CZ 3.34Å; D313-R359 IonicContact OD2-NH1 3.56Å; D313-R359 PolarHBondContact OD2-NH1 2.77Å; D313-R359 IonicContact OD2-NH2 2.71Å; S357-R359 VanDerWaalsContact C-N 3.29Å
360R60.5Low66.8Low210 Ų210105.8 Ų105.879%0.79254%0.537SS*.  trans-87.3126.1164.1-65.7-176.3178.9-174.4-2.1107.5G362R360-G362 PolarHBondContact O-N 3.33Å
361S65Low65.3Low41 Ų41106.9 Ų106.929%0.28753%0.531SS..  trans-63.8-21177.159.50000113.2Y129 D161 M363Y129-S361 WeakPolarHBondContact CE1-OG 3.29Å; Y129-S361 VanDerWaalsContact CZ-CB 3.45Å; D161-S361 PolarHBondContact O-OG 3.28Å; S361-M363 PolarHBondContact O-N 3.32Å; S361-M363 PolarHBondContact OG-N 2.79Å
362G68Low64.2Low69 Ų69108.1 Ų108.171%0.71153%0.527SS*.  trans73.8-2.8-170.800000113.5R360R360-G362 PolarHBondContact O-N 3.33Å
363M76.1Confident63.5Low16 Ų16110.2 Ų110.28%0.07954%0.535CS..  trans-73.3149.7174.4-67.3-179.5168.800110.9E125 K126 Y129 D161 C162 F311 S361E125-M363 HydrophobicContact CB-CE 4.03Å; E125-M363 HydrophobicContact CG-CE 3.36Å; E125-M363 WeakPolarHBondContact O-CE 3.46Å; E125-M363 WeakPolarHBondContact OE1-CE 3.32Å; K126-M363 HydrophobicContact CG-SD 4.39Å; Y129-M363 HydrophobicContact CD1-SD 3.71Å; Y129-M363 HydrophobicContact CG-SD 3.85Å; D161-M363 CarbonylContact C-O 3.39Å; D161-M363 WeakPolarHBondContact CA-O 3.15Å; C162-M363 HydrophobicContact CB-CB 4.23Å; F311-M363 HydrophobicContact CE1-CE 3.71Å; F311-M363 HydrophobicContact CE2-CE 4.24Å; F311-M363 HydrophobicContact CZ-CE 3.3Å; S361-M363 PolarHBondContact O-N 3.32Å; S361-M363 PolarHBondContact OG-N 2.79Å
364K76.2Confident63.4Low150 Ų150111.8 Ų111.865%0.65252%0.518SS*.  trans-122.7139169.5-64.6-168.5176-168.40111.1K126 E160K126-K364 WeakPolarHBondContact CE-O 3.46Å; K126-K364 PolarHBondContact NZ-O 3.2Å; E160-K364 CarbonylContact O-C 3.6Å; E160-K364 WeakPolarHBondContact O-CA 3.5Å
365L72.8Confident63.4Low68 Ų68114.6 Ų114.636%0.35654%0.537SS..  trans-55.20178.5-87.2-178.4000112.3T112 I117 K126 V158 N159 E160T112-L365 HydrophobicContact CG2-CD1 4.41Å; I117-L365 HydrophobicContact CD1-CD1 4.46Å; I117-L365 HydrophobicContact CD1-CD2 3.67Å; K126-L365 PolarHBondContact NZ-OXT 3.13Å; V158-L365 HydrophobicContact CB-CD1 4.04Å; V158-L365 HydrophobicContact CG2-CD1 3.65Å; N159-L365 WeakPolarHBondContact O-CD1 3.38Å; N159-L365 WeakPolarHBondContact O-CG 3.33Å; E160-L365 PolarHBondContact O-N 2.91Å

Retrieved 365 of 365 residues in 953.1 ms (Link to these results)