A0A024RD04_HUMAN Loading...

Mitogen-activated protein kinase 13

AlphaFold DB (O15264), UniProt , Accession A0A024RD04, 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 384.3 ms (Link to these results)

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