A0A077ZIZ8_TRITR Loading...

Puromycin-sensitive aminopeptidase

AlphaFold DB , UniProt , Accession A0A077ZIZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 707 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
1M88.2Confident91.7Very high131 Ų13182.3 Ų82.365%0.64548%0.478SS*.  0151071.2-174.7-69.600109.6L5 I6 W72M1-L5 VanDerWaalsContact CE-C 3.42Å; M1-L5 HydrophobicContact CE-CB 3.39Å; M1-L5 VanDerWaalsContact CE-O 3.3Å; M1-L5 WeakPolarHBondContact CE-O 3.11Å; M1-I6 HydrophobicContact CE-CG1 4.19Å; M1-W72 HydrophobicContact CB-CE3 3.75Å; M1-W72 HydrophobicContact CB-CZ3 4.07Å; M1-W72 HydrophobicContact CE-CB 4.2Å
2S91.7Very high91.9Very high29 Ų2987.8 Ų87.820%0.20350%0.504CS..  trans-76.7154176.4-63.30000112Y4 L5 T115S2-Y4 VanDerWaalsContact C-N 3.29Å; S2-Y4 VanDerWaalsContact CB-CD1 3.49Å; S2-Y4 VanDerWaalsContact CB-CE1 3.42Å; S2-Y4 PolarHBondContact O-N 3.33Å; S2-L5 WeakPolarHBondContact O-CB 3.49Å; S2-L5 PolarHBondContact O-N 2.81Å; S2-T115 PolarHBondContact OG-OG1 2.93Å
3T95Very high92Very high122 Ų12288.4 Ų88.475%0.74850%0.498SS*.G310 helixtrans-63-31.8-175.148.10000113.8L5 I6T3-L5 PolarHBondContact O-N 3.42Å; T3-I6 PolarHBondContact O-N 2.93Å
4Y91.7Very high92.2Very high57 Ų5784.9 Ų84.922%0.22448%0.477CS..G310 helixtrans-66.6-15.4179.879.8-87.6000113.6S2 E70 G111 T115 W119S2-Y4 VanDerWaalsContact C-N 3.29Å; S2-Y4 VanDerWaalsContact CB-CD1 3.49Å; S2-Y4 VanDerWaalsContact CB-CE1 3.42Å; S2-Y4 PolarHBondContact O-N 3.33Å; Y4-E70 VanDerWaalsContact CE2-OE1 3.25Å; Y4-E70 WeakPolarHBondContact CE2-OE1 3.47Å; Y4-G111 PolarHBondContact OH-O 2.86Å; Y4-T115 HydrophobicContact CE1-CG2 3.95Å; Y4-W119 HydrophobicContact CD1-CH2 4.3Å; Y4-W119 HydrophobicContact CG-CH2 4.23Å
5L92.2Very high92.4Very high1 Ų186.9 Ų86.91%0.00548%0.476CS..G310 helixtrans-90.8-6.1-179.6-64.1172.7000113.7M1 S2 T3 A7 E70 N71 W72 N112M1-L5 VanDerWaalsContact CE-C 3.42Å; M1-L5 HydrophobicContact CE-CB 3.39Å; M1-L5 VanDerWaalsContact CE-O 3.3Å; M1-L5 WeakPolarHBondContact CE-O 3.11Å; S2-L5 WeakPolarHBondContact O-CB 3.49Å; S2-L5 PolarHBondContact O-N 2.81Å; T3-L5 PolarHBondContact O-N 3.42Å; L5-A7 PolarHBondContact O-N 2.86Å; L5-E70 HydrophobicContact CD2-CG 3.89Å; L5-N71 WeakPolarHBondContact O-CA 3.25Å; L5-N71 VanDerWaalsContact O-CB 3.3Å; L5-N71 WeakPolarHBondContact O-CB 3.3Å; L5-W72 HydrophobicContact CD1-CE3 4.49Å; L5-N112 HydrophobicContact CD1-CB 4.18Å; L5-N112 VanDerWaalsContact CD1-OD1 3.24Å; L5-N112 WeakPolarHBondContact CD1-OD1 3.2Å; L5-N112 WeakPolarHBondContact CD2-OD1 3.25Å
6I91.9Very high92.6Very high107 Ų10783.2 Ų83.255%0.54946%0.455SS..  trans-69.7123.3179.4-63174.9000108.7M1 T3 N71M1-I6 HydrophobicContact CE-CG1 4.19Å; T3-I6 PolarHBondContact O-N 2.93Å; I6-N71 PolarHBondContact O-ND2 3.44Å
7A90.8Very high92.8Very high35 Ų3583.6 Ų83.629%0.28945%0.453SS..  trans-129.8149.6173.200000111.9L5 N71 L74L5-A7 PolarHBondContact O-N 2.86Å; A7-N71 HydrophobicContact CB-CB 3.54Å; A7-N71 WeakPolarHBondContact CB-ND2 3.38Å; A7-L74 HydrophobicContact CB-CB 4.22Å; A7-L74 HydrophobicContact CB-CD2 3.93Å; A7-L74 HydrophobicContact CB-CG 4.19Å
8F91.9Very high92.9Very high178 Ų17880.1 Ų80.178%0.78144%0.439SS*.  trans-148.3145.5162.656.1-88.3000108.7
9A90Very high92.9Very high60 Ų6082.6 Ų82.650%0.49645%0.447SS..  trans-126.1139.6176.400000109.4F13 L74A9-F13 HydrophobicContact CB-CE2 4.2Å; A9-L74 HydrophobicContact CB-CD2 4.35Å
10V94.1Very high92.9Very high138 Ų13878.9 Ų78.984%0.83643%0.427SS*.  trans-131.4123.6176.3-176.40000107.7
11G91.2Very high92.8Very high47 Ų4782 Ų8249%0.48544%0.444SS..SBendtrans168.9168.3-179.400000111.2F13G11-F13 VanDerWaalsContact O-CD2 3.28Å; G11-F13 WeakPolarHBondContact O-CD2 3.46Å; G11-F13 PolarHBondContact O-N 2.86Å; G11-F13 VanDerWaalsContact O-N 3.16Å
12D93.7Very high92.7Very high148 Ų14881.9 Ų81.979%0.79144%0.436SS*.  trans-78.994.5171.9-62.6-40.5000108.1P32D12-P32 HydrophobicContact CB-CG 4.37Å; D12-P32 WeakPolarHBondContact O-CD 3.27Å; D12-P32 WeakPolarHBondContact O-CG 3.26Å
13F94.3Very high92.6Very high96 Ų9682.3 Ų82.342%0.42145%0.445SS..  trans-106.9135.3177.2-62.9-81.2000110.5A9 G11 Y29 S30A9-F13 HydrophobicContact CB-CE2 4.2Å; G11-F13 VanDerWaalsContact O-CD2 3.28Å; G11-F13 WeakPolarHBondContact O-CD2 3.46Å; G11-F13 PolarHBondContact O-N 2.86Å; G11-F13 VanDerWaalsContact O-N 3.16Å; F13-Y29 HydrophobicContact CB-CD1 3.86Å; F13-S30 VanDerWaalsContact CA-O 3.3Å; F13-S30 WeakPolarHBondContact CA-O 3.39Å; F13-S30 WeakPolarHBondContact CD1-O 3.27Å
14D94.5Very high92.3Very high39 Ų3977.8 Ų77.821%0.20942%0.417CS..EExtended strand (participates in β ladder)trans-87.5163.4158.965.7-7.8000109.6Y29 S30 G33 S35D14-Y29 WeakPolarHBondContact O-CA 3.31Å; D14-S30 PolarHBondContact N-O 3.42Å; D14-S30 VanDerWaalsContact N-O 3.15Å; D14-S30 PolarHBondContact O-N 3.03Å; D14-S30 PolarHBondContact OD1-OG 3.13Å; D14-G33 PolarHBondContact OD2-N 3.21Å; D14-S35 VanDerWaalsContact CG-OG 3.31Å; D14-S35 WeakPolarHBondContact OD1-CB 3.44Å; D14-S35 WeakPolarHBondContact OD2-CB 3.27Å; D14-S35 PolarHBondContact OD2-OG 3.06Å
15Y94.8Very high92.3Very high116 Ų11675.8 Ų75.846%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-145.5152.8176.674.2-86.4000112.9Q17 R27 F28 Y29Y15-Q17 HydrophobicContact CD2-CB 4.37Å; Y15-Q17 HydrophobicContact CE2-CB 4.26Å; Y15-R27 HydrophobicContact CD2-CB 4.29Å; Y15-R27 HydrophobicContact CD2-CG 3.97Å; Y15-R27 HydrophobicContact CE2-CG 4.3Å; Y15-F28 WeakPolarHBondContact CA-O 3.36Å; Y15-F28 VanDerWaalsContact CB-O 3.29Å; Y15-F28 WeakPolarHBondContact CB-O 3.47Å; Y15-Y29 AromaticContact CD1-CE1 3.9Å; Y15-Y29 HydrophobicContact CD1-CE1 3.9Å; Y15-Y29 HydrophobicContact CG-CD1 4.41Å; Y15-Y29 AromaticContact CG-CE1 3.97Å; Y15-Y29 HydrophobicContact CG-CE1 3.97Å
16I96.3Very high92.4Very high27 Ų2775.8 Ų75.814%0.13841%0.413CS..EExtended strand (participates in β ladder)trans-112.5151.6161.452.5169.7000108.4R27 F28 S35 H39 L42I16-R27 WeakPolarHBondContact O-CA 3.48Å; I16-F28 HydrophobicContact CD1-CB 4.36Å; I16-F28 HydrophobicContact CD1-CD1 4.41Å; I16-F28 HydrophobicContact CG1-CB 3.85Å; I16-F28 HydrophobicContact CG1-CD1 4.19Å; I16-F28 HydrophobicContact CG1-CG 4.43Å; I16-F28 PolarHBondContact N-O 3.36Å; I16-F28 VanDerWaalsContact N-O 3.08Å; I16-F28 PolarHBondContact O-N 2.85Å; I16-S35 VanDerWaalsContact CD1-O 3.27Å; I16-S35 WeakPolarHBondContact CD1-O 3.23Å; I16-H39 HydrophobicContact CD1-CB 4.35Å; I16-H39 WeakPolarHBondContact CD1-ND1 3.42Å; I16-L42 HydrophobicContact CB-CD2 4.29Å; I16-L42 HydrophobicContact CD1-CB 4.32Å; I16-L42 HydrophobicContact CD1-CD2 3.84Å; I16-L42 HydrophobicContact CG1-CD2 3.88Å
17Q95.2Very high92.5Very high91 Ų9174.2 Ų74.243%0.42540%0.4SS..EExtended strand (participates in β ladder)trans-125.2137.3-177.6-174.4178.2-66.100110.1Y15 V26 R27Y15-Q17 HydrophobicContact CD2-CB 4.37Å; Y15-Q17 HydrophobicContact CE2-CB 4.26Å; Q17-V26 WeakPolarHBondContact CA-O 3.27Å; Q17-R27 HydrophobicContact CB-CG 4.03Å; Q17-R27 HydrophobicContact CG-CG 3.85Å; Q17-R27 VanDerWaalsContact OE1-NH2 3.17Å
18G94.7Very high92.7Very high19 Ų1972.7 Ų72.720%0.19639%0.387CS..EExtended strand (participates in β ladder)trans-120.9176.3167.600000109.5V26G18-V26 PolarHBondContact N-O 2.78Å; G18-V26 PolarHBondContact O-N 3.19Å
19E93.1Very high92.8Very high129 Ų12967.7 Ų67.760%0.60336%0.363SS*.EExtended strand (participates in β ladder)trans-139.3139.6-179.6-165.5171.2143.700108.1G23 V24E19-G23 VanDerWaalsContact OE1-CA 3.27Å; E19-G23 WeakPolarHBondContact OE1-CA 3.39Å; E19-V24 WeakPolarHBondContact CA-O 3.47Å
20T92.9Very high92.9Very high7 Ų765.1 Ų65.14%0.04334%0.342CS..  trans-77.9169.5173.470.50000110.9R22 G23 V24 V26 C46 L49 D50T20-R22 PolarHBondContact O-N 2.92Å; T20-R22 PolarHBondContact OG1-N 2.72Å; T20-G23 PolarHBondContact O-N 3.33Å; T20-V24 HydrophobicContact CG2-CB 4.04Å; T20-V24 PolarHBondContact N-O 2.99Å; T20-V24 WeakPolarHBondContact OG1-CB 3.5Å; T20-V24 PolarHBondContact OG1-N 3.38Å; T20-V24 VanDerWaalsContact OG1-N 3.14Å; T20-V26 HydrophobicContact CG2-CG2 3.96Å; T20-C46 HydrophobicContact CG2-CB 4.27Å; T20-L49 HydrophobicContact CG2-CB 4.17Å; T20-L49 HydrophobicContact CG2-CD2 3.7Å; T20-D50 WeakPolarHBondContact CB-OD1 3.23Å
21N91.5Very high92.8Very high145 Ų14561.4 Ų61.478%0.77532%0.319SS*.THydrogen-bonded Turntrans-58.4-22.7177.6-69-35.5000113.1D50N21-D50 WeakPolarHBondContact CB-OD1 3.36Å; N21-D50 PolarHBondContact N-OD1 3.07Å; N21-D50 PolarHBondContact N-OD2 3.46Å; N21-D50 PolarHBondContact ND2-OD2 3.1Å
22R86Confident92.9Very high128 Ų12863.3 Ų63.348%0.48332%0.323SS..THydrogen-bonded Turntrans-92.2-1.9178.1-68-16562.7157.5-4.1115.1T20 E53 E59T20-R22 PolarHBondContact O-N 2.92Å; T20-R22 PolarHBondContact OG1-N 2.72Å; R22-E53 VanDerWaalsContact CD-OE2 3.27Å; R22-E53 WeakPolarHBondContact CD-OE2 3.4Å; R22-E59 VanDerWaalsContact CZ-CD 3.42Å; R22-E59 IonicContact CZ-OE1 3.4Å; R22-E59 IonicContact CZ-OE2 3.15Å; R22-E59 VanDerWaalsContact NH1-CG 3.27Å; R22-E59 IonicContact NH1-OE1 3.08Å; R22-E59 PolarHBondContact NH1-OE1 3.1Å; R22-E59 IonicContact NH1-OE2 2.72Å; R22-E59 IonicContact NH2-OE1 2.72Å; R22-E59 PolarHBondContact NH2-OE1 2.72Å; R22-E59 IonicContact NH2-OE2 3.1Å; R22-E59 PolarHBondContact NH2-OE2 3.4Å; R22-E59 VanDerWaalsContact NH2-OE2 3.1Å
23G89.2Confident92.8Very high39 Ų3958.5 Ų58.540%0.40231%0.309SS..  trans89.413.1-178.900000115.2E19 T20 A25E19-G23 VanDerWaalsContact OE1-CA 3.27Å; E19-G23 WeakPolarHBondContact OE1-CA 3.39Å; T20-G23 PolarHBondContact O-N 3.33Å; G23-A25 PolarHBondContact O-N 3Å
24V88.1Confident92.7Very high26 Ų2656.5 Ų56.516%0.15830%0.303CS..  trans-74.4117.7174.3-178.40000108.4E19 T20 V26 L49 Y60E19-V24 WeakPolarHBondContact CA-O 3.47Å; T20-V24 HydrophobicContact CG2-CB 4.04Å; T20-V24 PolarHBondContact N-O 2.99Å; T20-V24 WeakPolarHBondContact OG1-CB 3.5Å; T20-V24 PolarHBondContact OG1-N 3.38Å; T20-V24 VanDerWaalsContact OG1-N 3.14Å; V24-V26 PolarHBondContact O-N 3.34Å; V24-L49 HydrophobicContact CB-CD2 4.34Å; V24-L49 HydrophobicContact CG1-CD2 4.16Å; V24-Y60 HydrophobicContact CG1-CD1 4.41Å
25A91.7Very high92.6Very high16 Ų1655.6 Ų55.613%0.13230%0.3CS..EExtended strand (participates in β ladder)trans-72121.3175.300000110.5G23 F63G23-A25 PolarHBondContact O-N 3Å; A25-F63 HydrophobicContact CB-CD1 4.35Å; A25-F63 HydrophobicContact CB-CE1 4.32Å
26V93.7Very high92.6Very high1 Ų155 Ų551%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-109.9128.1174.5-174.70000108.2Q17 G18 T20 V24 L42 A45 C64 L66Q17-V26 WeakPolarHBondContact CA-O 3.27Å; G18-V26 PolarHBondContact N-O 2.78Å; G18-V26 PolarHBondContact O-N 3.19Å; T20-V26 HydrophobicContact CG2-CG2 3.96Å; V24-V26 PolarHBondContact O-N 3.34Å; V26-L42 HydrophobicContact CB-CD1 3.96Å; V26-L42 HydrophobicContact CG1-CD1 3.72Å; V26-L42 WeakPolarHBondContact O-CD1 3.41Å; V26-A45 HydrophobicContact CG1-CB 4.25Å; V26-C64 WeakPolarHBondContact CA-O 3.41Å; V26-C64 HydrophobicContact CG1-CB 4.46Å; V26-C64 HydrophobicContact CG2-CB 4.43Å; V26-L66 HydrophobicContact CG1-CD1 4.02Å; V26-L66 HydrophobicContact CG1-CG 4.14Å
27R94.4Very high92.5Very high73 Ų7354.3 Ų54.328%0.27530%0.297SS..EExtended strand (participates in β ladder)trans-117.8135.4177.2-63179.1-178.7151.52.2111.5Y15 I16 Q17 Y29 C64 F65 L66Y15-R27 HydrophobicContact CD2-CB 4.29Å; Y15-R27 HydrophobicContact CD2-CG 3.97Å; Y15-R27 HydrophobicContact CE2-CG 4.3Å; I16-R27 WeakPolarHBondContact O-CA 3.48Å; Q17-R27 HydrophobicContact CB-CG 4.03Å; Q17-R27 HydrophobicContact CG-CG 3.85Å; Q17-R27 VanDerWaalsContact OE1-NH2 3.17Å; R27-Y29 HydrophobicContact CB-CD2 4.12Å; R27-Y29 HydrophobicContact CB-CE2 3.53Å; R27-Y29 VanDerWaalsContact CD-OH 3.25Å; R27-Y29 WeakPolarHBondContact CD-OH 3.29Å; R27-Y29 HydrophobicContact CG-CE2 4.45Å; R27-C64 PolarHBondContact N-O 3Å; R27-F65 HydrophobicContact CB-CD1 4.02Å; R27-F65 HydrophobicContact CB-CE1 4.37Å; R27-F65 WeakPolarHBondContact O-CA 3.46Å; R27-L66 PolarHBondContact O-N 3.17Å
28F94.8Very high92.5Very high3 Ų350 Ų501%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-102.5118.5170.3179.5-89.3000108.9Y15 I16 A41 L42 L66 V82 F83Y15-F28 WeakPolarHBondContact CA-O 3.36Å; Y15-F28 VanDerWaalsContact CB-O 3.29Å; Y15-F28 WeakPolarHBondContact CB-O 3.47Å; I16-F28 HydrophobicContact CD1-CB 4.36Å; I16-F28 HydrophobicContact CD1-CD1 4.41Å; I16-F28 HydrophobicContact CG1-CB 3.85Å; I16-F28 HydrophobicContact CG1-CD1 4.19Å; I16-F28 HydrophobicContact CG1-CG 4.43Å; I16-F28 PolarHBondContact N-O 3.36Å; I16-F28 VanDerWaalsContact N-O 3.08Å; I16-F28 PolarHBondContact O-N 2.85Å; F28-A41 HydrophobicContact CE2-CB 4.37Å; F28-L42 HydrophobicContact CB-CB 4.23Å; F28-L42 HydrophobicContact CB-CD1 4.47Å; F28-L66 HydrophobicContact CB-CD1 4.34Å; F28-L66 HydrophobicContact CD2-CB 4Å; F28-L66 HydrophobicContact CD2-CD1 4.14Å; F28-V82 HydrophobicContact CE2-CB 3.6Å; F28-V82 HydrophobicContact CE2-CG1 3.89Å; F28-V82 HydrophobicContact CE2-CG2 3.78Å; F28-V82 HydrophobicContact CZ-CB 3.92Å; F28-V82 HydrophobicContact CZ-CG2 3.76Å; F28-F83 AromaticContact CE1-CE1 3.96Å; F28-F83 HydrophobicContact CE1-CE1 3.96Å; F28-F83 HydrophobicContact CZ-CD1 4.06Å; F28-F83 AromaticContact CZ-CE1 3.72Å; F28-F83 HydrophobicContact CZ-CE1 3.72Å
29Y94.9Very high92.5Very high73 Ų7354.1 Ų54.129%0.28629%0.291SS..EExtended strand (participates in β ladder)trans-102.9139.9178.5-71.7-92.2000110.6F13 D14 Y15 R27 F65F13-Y29 HydrophobicContact CB-CD1 3.86Å; D14-Y29 WeakPolarHBondContact O-CA 3.31Å; Y15-Y29 AromaticContact CD1-CE1 3.9Å; Y15-Y29 HydrophobicContact CD1-CE1 3.9Å; Y15-Y29 HydrophobicContact CG-CD1 4.41Å; Y15-Y29 AromaticContact CG-CE1 3.97Å; Y15-Y29 HydrophobicContact CG-CE1 3.97Å; R27-Y29 HydrophobicContact CB-CD2 4.12Å; R27-Y29 HydrophobicContact CB-CE2 3.53Å; R27-Y29 VanDerWaalsContact CD-OH 3.25Å; R27-Y29 WeakPolarHBondContact CD-OH 3.29Å; R27-Y29 HydrophobicContact CG-CE2 4.45Å; Y29-F65 HydrophobicContact CD2-CB 4.41Å; Y29-F65 HydrophobicContact CD2-CD1 4.28Å; Y29-F65 HydrophobicContact CE2-CB 4.39Å; Y29-F65 AromaticContact CE2-CD1 3.5Å; Y29-F65 HydrophobicContact CE2-CD1 3.5Å; Y29-F65 AromaticContact CE2-CE1 3.96Å; Y29-F65 HydrophobicContact CE2-CE1 3.96Å; Y29-F65 HydrophobicContact CE2-CG 4.14Å
30S92.5Very high92.7Very high6 Ų649.1 Ų49.14%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-145.3171177.558.40000113.2F13 D14 S35F13-S30 VanDerWaalsContact CA-O 3.3Å; F13-S30 WeakPolarHBondContact CA-O 3.39Å; F13-S30 WeakPolarHBondContact CD1-O 3.27Å; D14-S30 PolarHBondContact N-O 3.42Å; D14-S30 VanDerWaalsContact N-O 3.15Å; D14-S30 PolarHBondContact O-N 3.03Å; D14-S30 PolarHBondContact OD1-OG 3.13Å; S30-S35 WeakPolarHBondContact OG-CA 3.4Å; S30-S35 WeakPolarHBondContact OG-CB 3.24Å; S30-S35 PolarHBondContact OG-N 2.71Å
31T90.8Very high92.9Very high60 Ų6048.8 Ų48.837%0.36827%0.265SS..SBendtrans-59.7144.5167.548.90000110.2G33 N34T31-G33 PolarHBondContact O-N 3.48Å; T31-N34 PolarHBondContact O-N 2.7Å; T31-N34 VanDerWaalsContact O-N 3.1Å; T31-N34 PolarHBondContact OG1-ND2 2.86Å
32P93.1Very high93.1Very high87 Ų8742.4 Ų42.457%0.56523%0.231SC*.THydrogen-bonded Turntrans-55129.3-171-28.336.9000112.9D12D12-P32 HydrophobicContact CB-CG 4.37Å; D12-P32 WeakPolarHBondContact O-CD 3.27Å; D12-P32 WeakPolarHBondContact O-CG 3.26Å
33G92.1Very high93.7Very high48 Ų4840 Ų4050%0.49523%0.225SC..THydrogen-bonded Turntrans93.2-9178.500000114.5D14 T31 H36D14-G33 PolarHBondContact OD2-N 3.21Å; T31-G33 PolarHBondContact O-N 3.48Å; G33-H36 PolarHBondContact O-CE1 2.99Å; G33-H36 PolarHBondContact O-ND1 2.82Å
34N92.3Very high94.1Very high54 Ų5438.1 Ų38.129%0.28921%0.206SC..  trans-102.8-3.1-178.8-66.2-46.7000114.2T31 H36 L37 F83T31-N34 PolarHBondContact O-N 2.7Å; T31-N34 VanDerWaalsContact O-N 3.1Å; T31-N34 PolarHBondContact OG1-ND2 2.86Å; N34-H36 PolarHBondContact O-N 3.22Å; N34-H36 VanDerWaalsContact O-N 3.12Å; N34-L37 HydrophobicContact CB-CD1 4.37Å; N34-L37 WeakPolarHBondContact O-CB 3.44Å; N34-L37 PolarHBondContact O-N 2.98Å; N34-F83 HydrophobicContact CB-CE1 4.44Å; N34-F83 HydrophobicContact CB-CE2 3.94Å; N34-F83 HydrophobicContact CB-CZ 3.69Å
35S93Very high94.4Very high20 Ų2037 Ų3714%0.1420%0.199CC..G310 helixtrans-57.5-32.7-17548.40000113.8D14 I16 S30 L37 G38D14-S35 VanDerWaalsContact CG-OG 3.31Å; D14-S35 WeakPolarHBondContact OD1-CB 3.44Å; D14-S35 WeakPolarHBondContact OD2-CB 3.27Å; D14-S35 PolarHBondContact OD2-OG 3.06Å; I16-S35 VanDerWaalsContact CD1-O 3.27Å; I16-S35 WeakPolarHBondContact CD1-O 3.23Å; S30-S35 WeakPolarHBondContact OG-CA 3.4Å; S30-S35 WeakPolarHBondContact OG-CB 3.24Å; S30-S35 PolarHBondContact OG-N 2.71Å; S35-L37 PolarHBondContact O-N 3.18Å; S35-G38 PolarHBondContact O-N 3.36Å
36H93.5Very high94.6Very high103 Ų10336.7 Ų36.748%0.47720%0.196SC..G310 helixtrans-61.2-25.8175.171.8-79.2000114G33 N34 G38 H39G33-H36 PolarHBondContact O-CE1 2.99Å; G33-H36 PolarHBondContact O-ND1 2.82Å; N34-H36 PolarHBondContact O-N 3.22Å; N34-H36 VanDerWaalsContact O-N 3.12Å; H36-G38 PolarHBondContact O-N 2.94Å; H36-H39 PolarHBondContact O-CD2 3.28Å
37L94.6Very high94.8Very high13 Ų1339.6 Ų39.67%0.06821%0.209CC..G310 helixtrans-73.5-17.8176.3-60.7175.4000112.4N34 S35 F83 I84 D85N34-L37 HydrophobicContact CB-CD1 4.37Å; N34-L37 WeakPolarHBondContact O-CB 3.44Å; N34-L37 PolarHBondContact O-N 2.98Å; S35-L37 PolarHBondContact O-N 3.18Å; L37-F83 HydrophobicContact CB-CB 3.87Å; L37-F83 HydrophobicContact CB-CD1 3.82Å; L37-F83 HydrophobicContact CB-CD2 4.37Å; L37-F83 HydrophobicContact CB-CE1 4.45Å; L37-F83 HydrophobicContact CB-CG 3.78Å; L37-F83 HydrophobicContact CD1-CB 4.27Å; L37-F83 HydrophobicContact CD1-CD2 3.81Å; L37-F83 HydrophobicContact CD1-CE2 4.3Å; L37-F83 HydrophobicContact CD1-CG 4.04Å; L37-F83 WeakPolarHBondContact O-CA 3.41Å; L37-I84 PolarHBondContact O-N 2.92Å; L37-D85 HydrophobicContact CD2-CB 4.09Å
38G95.1Very high94.9Very high0 Ų036.1 Ų36.10%020%0.196CC..G310 helixtrans-88.31.4179.900000115.1S35 H36 F40 A41 L42S35-G38 PolarHBondContact O-N 3.36Å; H36-G38 PolarHBondContact O-N 2.94Å; G38-F40 VanDerWaalsContact C-N 3.33Å; G38-F40 PolarHBondContact O-N 3.34Å; G38-A41 PolarHBondContact O-N 2.88Å; G38-L42 WeakPolarHBondContact O-CB 3.29Å; G38-L42 PolarHBondContact O-N 2.87Å
39H96.4Very high94.8Very high106 Ų10636 Ų3649%0.49120%0.195SC..Hα-helixtrans-57.2-44.6-176.3-85.2-59.6000112.9I16 H36 L42 E43I16-H39 HydrophobicContact CD1-CB 4.35Å; I16-H39 WeakPolarHBondContact CD1-ND1 3.42Å; H36-H39 PolarHBondContact O-CD2 3.28Å; H39-L42 PolarHBondContact O-N 3.38Å; H39-E43 PolarHBondContact O-N 2.9Å
40F96.8Very high94.8Very high23 Ų2333.2 Ų33.210%0.10119%0.185CC..Hα-helixtrans-65.1-44.9178.4-179.2-107.7000111.6G38 L42 E43 V44 I84 K94 V97 A98 F141G38-F40 VanDerWaalsContact C-N 3.33Å; G38-F40 PolarHBondContact O-N 3.34Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 3.47Å; F40-E43 PolarHBondContact O-N 3.23Å; F40-V44 HydrophobicContact CD1-CG2 4.24Å; F40-V44 HydrophobicContact CD2-CG2 4.46Å; F40-V44 HydrophobicContact CE1-CG2 3.81Å; F40-V44 HydrophobicContact CE2-CG2 4.04Å; F40-V44 HydrophobicContact CZ-CG2 3.7Å; F40-V44 WeakPolarHBondContact O-CG2 2.81Å; F40-V44 PolarHBondContact O-N 2.83Å; F40-I84 HydrophobicContact CB-CB 4.12Å; F40-I84 HydrophobicContact CB-CG1 4.28Å; F40-I84 HydrophobicContact CB-CG2 4.44Å; F40-I84 HydrophobicContact CD1-CB 4.47Å; F40-I84 HydrophobicContact CD1-CG1 3.76Å; F40-I84 HydrophobicContact CG-CG1 4.35Å; F40-K94 HydrophobicContact CD1-CG 4.06Å; F40-K94 HydrophobicContact CE1-CG 3.59Å; F40-K94 VanDerWaalsContact CE1-O 3.31Å; F40-K94 WeakPolarHBondContact CE1-O 3.33Å; F40-K94 HydrophobicContact CE2-CD 4.4Å; F40-K94 HydrophobicContact CE2-CG 4.16Å; F40-K94 HydrophobicContact CZ-CD 4.3Å; F40-K94 HydrophobicContact CZ-CG 3.64Å; F40-V97 HydrophobicContact CD1-CB 4.25Å; F40-V97 HydrophobicContact CD1-CG1 3.78Å; F40-V97 HydrophobicContact CE1-CB 4.24Å; F40-V97 HydrophobicContact CE1-CG1 4.09Å; F40-A98 HydrophobicContact CE1-CB 4.14Å; F40-A98 HydrophobicContact CZ-CB 4.12Å; F40-F141 HydrophobicContact CE2-CE1 4.01Å; F40-F141 AromaticContact CE2-CZ 3.7Å; F40-F141 HydrophobicContact CE2-CZ 3.7Å; F40-F141 HydrophobicContact CZ-CE1 4.37Å; F40-F141 HydrophobicContact CZ-CE2 4.23Å; F40-F141 AromaticContact CZ-CZ 3.86Å; F40-F141 HydrophobicContact CZ-CZ 3.86Å
41A96.5Very high94.9Very high0 Ų033.5 Ų33.50%019%0.186CC..Hα-helixtrans-61.7-40.8177.400000112.5F28 G38 V44 A45 V82 V97 V101F28-A41 HydrophobicContact CE2-CB 4.37Å; G38-A41 PolarHBondContact O-N 2.88Å; A41-V44 PolarHBondContact O-N 3.24Å; A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 3.39Å; A41-V82 HydrophobicContact CB-CB 3.8Å; A41-V82 HydrophobicContact CB-CG1 3.65Å; A41-V97 HydrophobicContact CB-CG1 3.99Å; A41-V101 HydrophobicContact CB-CG2 4Å
42L96.5Very high95Very high11 Ų1130.7 Ų30.76%0.05817%0.168CC..Hα-helixtrans-61.6-44.8174.9174.463.2000111.8I16 V26 F28 G38 H39 F40 A45 C46 L66I16-L42 HydrophobicContact CB-CD2 4.29Å; I16-L42 HydrophobicContact CD1-CB 4.32Å; I16-L42 HydrophobicContact CD1-CD2 3.84Å; I16-L42 HydrophobicContact CG1-CD2 3.88Å; V26-L42 HydrophobicContact CB-CD1 3.96Å; V26-L42 HydrophobicContact CG1-CD1 3.72Å; V26-L42 WeakPolarHBondContact O-CD1 3.41Å; F28-L42 HydrophobicContact CB-CB 4.23Å; F28-L42 HydrophobicContact CB-CD1 4.47Å; G38-L42 WeakPolarHBondContact O-CB 3.29Å; G38-L42 PolarHBondContact O-N 2.87Å; H39-L42 PolarHBondContact O-N 3.38Å; F40-L42 VanDerWaalsContact C-N 3.34Å; F40-L42 PolarHBondContact O-N 3.47Å; L42-A45 PolarHBondContact O-N 2.91Å; L42-C46 PolarHBondContact O-N 3.12Å; L42-C46 PolarHBondContact O-SG 3.21Å; L42-L66 HydrophobicContact CD1-CD1 4.28Å
43E97.1Very high94.9Very high78 Ų7827 Ų2736%0.36414%0.144SC..Hα-helixtrans-61.3-47.2177.4-176.3-176.2168.400111.5H39 F40 A45 C46 K47H39-E43 PolarHBondContact O-N 2.9Å; F40-E43 PolarHBondContact O-N 3.23Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 2.85Å; E43-C46 PolarHBondContact O-N 2.99Å; E43-K47 HydrophobicContact CG-CD 4.28Å; E43-K47 WeakPolarHBondContact O-CG 3.29Å; E43-K47 PolarHBondContact O-N 3.31Å; E43-K47 VanDerWaalsContact O-N 3.1Å; E43-K47 VanDerWaalsContact OE1-CE 3.23Å; E43-K47 WeakPolarHBondContact OE1-CE 3.18Å; E43-K47 IonicContact OE1-NZ 3.76Å; E43-K47 PolarHBondContact OE1-NZ 3.46Å
44V97.4Very high94.7Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-58-45.7175.8175.60000110.3F40 A41 C46 K47 S48 A98 V101 F141F40-V44 HydrophobicContact CD1-CG2 4.24Å; F40-V44 HydrophobicContact CD2-CG2 4.46Å; F40-V44 HydrophobicContact CE1-CG2 3.81Å; F40-V44 HydrophobicContact CE2-CG2 4.04Å; F40-V44 HydrophobicContact CZ-CG2 3.7Å; F40-V44 WeakPolarHBondContact O-CG2 2.81Å; F40-V44 PolarHBondContact O-N 2.83Å; A41-V44 PolarHBondContact O-N 3.24Å; V44-C46 PolarHBondContact O-N 3.29Å; V44-K47 PolarHBondContact O-N 2.96Å; V44-S48 VanDerWaalsContact O-CB 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.45Å; V44-S48 PolarHBondContact O-N 3.29Å; V44-S48 PolarHBondContact O-OG 3.31Å; V44-A98 HydrophobicContact CG2-CB 4.21Å; V44-V101 HydrophobicContact CB-CB 4.33Å; V44-V101 HydrophobicContact CB-CG1 4.04Å; V44-V101 HydrophobicContact CG1-CB 3.83Å; V44-V101 HydrophobicContact CG1-CG1 3.74Å; V44-F141 HydrophobicContact CG2-CE2 3.92Å; V44-F141 HydrophobicContact CG2-CZ 4Å
45A96.2Very high94.5Very high2 Ų226.6 Ų26.62%0.01713%0.13CC..Hα-helixtrans-60.8-46.5-178.700000113V26 A41 L42 E43 S48 L49 L66 V101 V105V26-A45 HydrophobicContact CG1-CB 4.25Å; A41-A45 WeakPolarHBondContact O-CB 3.46Å; A41-A45 PolarHBondContact O-N 3.39Å; L42-A45 PolarHBondContact O-N 2.91Å; E43-A45 VanDerWaalsContact C-N 3.31Å; E43-A45 PolarHBondContact O-N 2.85Å; A45-S48 PolarHBondContact O-N 2.88Å; A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 3.07Å; A45-L66 HydrophobicContact CB-CD1 3.46Å; A45-L66 VanDerWaalsContact CB-CD1 3.46Å; A45-L66 HydrophobicContact CB-CD2 3.54Å; A45-L66 HydrophobicContact CB-CG 4.05Å; A45-V101 HydrophobicContact CB-CG1 3.75Å; A45-V105 HydrophobicContact CB-CG2 4.3Å
46C95.8Very high94.2Very high10 Ų1025.7 Ų25.77%0.06812%0.123CC..Hα-helixtrans-58.8-50.1177-70.40000111.1T20 L42 E43 V44 S48 L49 D50T20-C46 HydrophobicContact CG2-CB 4.27Å; L42-C46 PolarHBondContact O-N 3.12Å; L42-C46 PolarHBondContact O-SG 3.21Å; E43-C46 PolarHBondContact O-N 2.99Å; V44-C46 PolarHBondContact O-N 3.29Å; C46-S48 PolarHBondContact O-N 2.97Å; C46-L49 WeakPolarHBondContact O-CB 3.32Å; C46-L49 PolarHBondContact O-N 3.48Å; C46-D50 PolarHBondContact O-N 3.35Å; C46-D50 VanDerWaalsContact O-N 3.08Å
47K96.8Very high93.8Very high61 Ų6123.6 Ų23.627%0.26513%0.13SC..Hα-helixtrans-67.6-36.6-177.7-68.1-175.4-176176.70112.9E43 V44 L49 D50 F51 L140E43-K47 HydrophobicContact CG-CD 4.28Å; E43-K47 WeakPolarHBondContact O-CG 3.29Å; E43-K47 PolarHBondContact O-N 3.31Å; E43-K47 VanDerWaalsContact O-N 3.1Å; E43-K47 VanDerWaalsContact OE1-CE 3.23Å; E43-K47 WeakPolarHBondContact OE1-CE 3.18Å; E43-K47 IonicContact OE1-NZ 3.76Å; E43-K47 PolarHBondContact OE1-NZ 3.46Å; V44-K47 PolarHBondContact O-N 2.96Å; K47-L49 VanDerWaalsContact C-N 3.34Å; K47-D50 PolarHBondContact O-N 2.96Å; K47-F51 WeakPolarHBondContact O-CB 3.42Å; K47-F51 PolarHBondContact O-N 3.36Å; K47-L140 HydrophobicContact CB-CD1 3.74Å; K47-L140 HydrophobicContact CB-CD2 3.6Å; K47-L140 HydrophobicContact CB-CG 4.3Å; K47-L140 HydrophobicContact CD-CD2 4.14Å; K47-L140 HydrophobicContact CG-CD2 4.44Å
48S96Very high93.1Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-65.6-38.7174.5-69.30000111.3V44 A45 C46 F51 F52V44-S48 VanDerWaalsContact O-CB 3.25Å; V44-S48 WeakPolarHBondContact O-CB 3.45Å; V44-S48 PolarHBondContact O-N 3.29Å; V44-S48 PolarHBondContact O-OG 3.31Å; A45-S48 PolarHBondContact O-N 2.88Å; C46-S48 PolarHBondContact O-N 2.97Å; S48-F51 PolarHBondContact O-N 3.35Å; S48-F52 WeakPolarHBondContact O-CD2 3.44Å; S48-F52 WeakPolarHBondContact O-CG 3.39Å; S48-F52 PolarHBondContact O-N 3.23Å
49L94Very high92.2Very high2 Ų229.8 Ų29.81%0.0116%0.159CC..Hα-helixtrans-62-48.3175.1-158.777.2000110.7T20 V24 A45 C46 K47 F51 F52 E53 Y60 V105 W109T20-L49 HydrophobicContact CG2-CB 4.17Å; T20-L49 HydrophobicContact CG2-CD2 3.7Å; V24-L49 HydrophobicContact CB-CD2 4.34Å; V24-L49 HydrophobicContact CG1-CD2 4.16Å; A45-L49 WeakPolarHBondContact O-CB 3.45Å; A45-L49 PolarHBondContact O-N 3.07Å; C46-L49 WeakPolarHBondContact O-CB 3.32Å; C46-L49 PolarHBondContact O-N 3.48Å; K47-L49 VanDerWaalsContact C-N 3.34Å; L49-F51 VanDerWaalsContact C-N 3.31Å; L49-F51 PolarHBondContact O-N 2.84Å; L49-F52 PolarHBondContact O-N 3.33Å; L49-E53 WeakPolarHBondContact O-CG 3.49Å; L49-E53 PolarHBondContact O-N 2.97Å; L49-Y60 HydrophobicContact CD1-CD1 4.1Å; L49-Y60 HydrophobicContact CD1-CD2 4.23Å; L49-Y60 HydrophobicContact CD1-CG 3.86Å; L49-Y60 HydrophobicContact CD2-CD1 3.86Å; L49-Y60 HydrophobicContact CD2-CG 4.23Å; L49-Y60 HydrophobicContact CG-CG 4.45Å; L49-V105 HydrophobicContact CB-CG1 4.28Å; L49-V105 HydrophobicContact CD1-CG1 3.8Å; L49-W109 HydrophobicContact CD1-CH2 3.85Å; L49-W109 HydrophobicContact CD1-CZ3 4.07Å; L49-W109 HydrophobicContact CG-CH2 4.4Å
50D93.8Very high91Very high14 Ų1425.4 Ų25.48%0.07514%0.138CC..Hα-helixtrans-58.3-42.6175.4-74.3-43.3000111.7T20 N21 C46 K47 N54T20-D50 WeakPolarHBondContact CB-OD1 3.23Å; N21-D50 WeakPolarHBondContact CB-OD1 3.36Å; N21-D50 PolarHBondContact N-OD1 3.07Å; N21-D50 PolarHBondContact N-OD2 3.46Å; N21-D50 PolarHBondContact ND2-OD2 3.1Å; C46-D50 PolarHBondContact O-N 3.35Å; C46-D50 VanDerWaalsContact O-N 3.08Å; K47-D50 PolarHBondContact O-N 2.96Å; D50-N54 VanDerWaalsContact O-CG 3.31Å; D50-N54 PolarHBondContact O-N 3.03Å; D50-N54 PolarHBondContact O-ND2 3.19Å
51F94.1Very high89.1Confident12 Ų1229.2 Ų29.25%0.05316%0.163CC..Hα-helixtrans-60-51176.5171.4-89.9000111.6K47 S48 L49 N54 Y55 K135 A136 E139 W271K47-F51 WeakPolarHBondContact O-CB 3.42Å; K47-F51 PolarHBondContact O-N 3.36Å; S48-F51 PolarHBondContact O-N 3.35Å; L49-F51 VanDerWaalsContact C-N 3.31Å; L49-F51 PolarHBondContact O-N 2.84Å; F51-N54 PolarHBondContact O-N 2.78Å; F51-Y55 HydrophobicContact CE1-CD2 4.29Å; F51-Y55 HydrophobicContact CE1-CG 4.39Å; F51-Y55 AromaticContact CZ-CD2 3.94Å; F51-Y55 HydrophobicContact CZ-CD2 3.94Å; F51-Y55 HydrophobicContact CZ-CG 4.48Å; F51-Y55 WeakPolarHBondContact O-CB 2.99Å; F51-Y55 PolarHBondContact O-N 3.02Å; F51-K135 HydrophobicContact CE1-CB 4.34Å; F51-K135 HydrophobicContact CZ-CB 3.94Å; F51-A136 HydrophobicContact CD1-CB 3.64Å; F51-A136 HydrophobicContact CE1-CB 3.82Å; F51-A136 HydrophobicContact CG-CB 4.2Å; F51-A136 HydrophobicContact CZ-CB 4.46Å; F51-E139 HydrophobicContact CD2-CB 3.87Å; F51-E139 HydrophobicContact CD2-CG 3.87Å; F51-E139 HydrophobicContact CE2-CB 3.72Å; F51-E139 HydrophobicContact CE2-CG 4.01Å; F51-W271 HydrophobicContact CD2-CH2 4.07Å; F51-W271 HydrophobicContact CD2-CZ2 4.29Å; F51-W271 AromaticContact CE2-CH2 3.39Å; F51-W271 HydrophobicContact CE2-CH2 3.39Å; F51-W271 AromaticContact CE2-CZ2 3.87Å; F51-W271 HydrophobicContact CE2-CZ2 3.87Å; F51-W271 HydrophobicContact CE2-CZ3 4.24Å; F51-W271 HydrophobicContact CZ-CH2 4.29Å
52F93Very high87.3Confident0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-70.1-37.1-175.7-68.9-50.8000112.7S48 L49 N54 Y55 F56 A102 V105 W109 L132 A136S48-F52 WeakPolarHBondContact O-CD2 3.44Å; S48-F52 WeakPolarHBondContact O-CG 3.39Å; S48-F52 PolarHBondContact O-N 3.23Å; L49-F52 PolarHBondContact O-N 3.33Å; F52-N54 VanDerWaalsContact C-N 3.29Å; F52-N54 PolarHBondContact O-N 3.25Å; F52-Y55 PolarHBondContact O-N 3.24Å; F52-F56 HydrophobicContact CB-CD2 3.96Å; F52-F56 HydrophobicContact CB-CE2 3.8Å; F52-F56 AromaticContact CD1-CE2 3.72Å; F52-F56 HydrophobicContact CD1-CE2 3.72Å; F52-F56 HydrophobicContact CD1-CZ 4.18Å; F52-F56 HydrophobicContact CG-CE2 4.04Å; F52-F56 WeakPolarHBondContact O-CB 3.41Å; F52-F56 WeakPolarHBondContact O-CD2 3.28Å; F52-F56 PolarHBondContact O-N 3.05Å; F52-A102 WeakPolarHBondContact CE2-O 3.46Å; F52-V105 HydrophobicContact CD2-CG1 3.9Å; F52-V105 HydrophobicContact CE2-CB 4.3Å; F52-V105 HydrophobicContact CE2-CG1 4.17Å; F52-W109 HydrophobicContact CB-CD2 4.38Å; F52-W109 HydrophobicContact CB-CE3 3.82Å; F52-W109 HydrophobicContact CB-CH2 3.6Å; F52-W109 HydrophobicContact CB-CZ2 4.17Å; F52-W109 HydrophobicContact CB-CZ3 3.4Å; F52-W109 VanDerWaalsContact CB-CZ3 3.4Å; F52-W109 HydrophobicContact CD2-CZ3 4.15Å; F52-W109 HydrophobicContact CG-CE3 4.39Å; F52-W109 HydrophobicContact CG-CZ3 4.13Å; F52-L132 HydrophobicContact CD1-CD2 4.35Å; F52-L132 HydrophobicContact CE1-CB 3.78Å; F52-L132 HydrophobicContact CE1-CD2 3.95Å; F52-L132 HydrophobicContact CE1-CG 4.33Å; F52-L132 HydrophobicContact CZ-CB 4.11Å; F52-A136 HydrophobicContact CE1-CB 4Å; F52-A136 HydrophobicContact CE2-CB 4.28Å; F52-A136 HydrophobicContact CZ-CB 3.61Å
53E90.9Very high84.7Confident11 Ų1139.8 Ų39.85%0.05121%0.209CC..Hα-helixtrans-56.5-45.6172.4-75.9-171.1137.500111.3R22 L49 G57 M58 Y60 W109R22-E53 VanDerWaalsContact CD-OE2 3.27Å; R22-E53 WeakPolarHBondContact CD-OE2 3.4Å; L49-E53 WeakPolarHBondContact O-CG 3.49Å; L49-E53 PolarHBondContact O-N 2.97Å; E53-G57 VanDerWaalsContact O-CA 3.26Å; E53-G57 WeakPolarHBondContact O-CA 3.4Å; E53-G57 PolarHBondContact O-N 3.28Å; E53-M58 PolarHBondContact O-N 3.02Å; E53-Y60 PolarHBondContact OE1-N 3.31Å; E53-W109 HydrophobicContact CB-CZ2 4.48Å; E53-W109 HydrophobicContact CG-CH2 3.98Å; E53-W109 HydrophobicContact CG-CZ2 3.74Å
54N89.3Confident82.2Confident88 Ų8836.2 Ų36.247%0.47119%0.193SC..Hα-helixtrans-68.3-42176.8-71.7-39.9000112.3D50 F51 F52 R283D50-N54 VanDerWaalsContact O-CG 3.31Å; D50-N54 PolarHBondContact O-N 3.03Å; D50-N54 PolarHBondContact O-ND2 3.19Å; F51-N54 PolarHBondContact O-N 2.78Å; F52-N54 VanDerWaalsContact C-N 3.29Å; F52-N54 PolarHBondContact O-N 3.25Å; N54-R283 PolarHBondContact O-NH2 3.19Å
55Y87.6Confident79.8Confident4 Ų438.9 Ų38.92%0.01621%0.205CC..Hα-helixtrans-63.4-47.6-178.3-169-86.4000111.2F51 F52 W131 R279 R283F51-Y55 HydrophobicContact CE1-CD2 4.29Å; F51-Y55 HydrophobicContact CE1-CG 4.39Å; F51-Y55 AromaticContact CZ-CD2 3.94Å; F51-Y55 HydrophobicContact CZ-CD2 3.94Å; F51-Y55 HydrophobicContact CZ-CG 4.48Å; F51-Y55 WeakPolarHBondContact O-CB 2.99Å; F51-Y55 PolarHBondContact O-N 3.02Å; F52-Y55 PolarHBondContact O-N 3.24Å; Y55-W131 HydrophobicContact CE1-CH2 4.4Å; Y55-W131 WeakPolarHBondContact OH-CH2 3.43Å; Y55-R279 HydrophobicContact CE1-CG 4.17Å; Y55-R279 VanDerWaalsContact CE2-CZ 3.45Å; Y55-R283 PolarHBondContact O-NE 3.08Å; Y55-R283 PolarHBondContact O-NH2 2.94Å
56F87.3Confident76.9Confident2 Ų239.3 Ų39.31%0.00921%0.206CC..Hα-helixtrans-86-16.7-179.2-57.7-53.5000113.8F52 M58 W109 F110 L132 I282 R283 L286F52-F56 HydrophobicContact CB-CD2 3.96Å; F52-F56 HydrophobicContact CB-CE2 3.8Å; F52-F56 AromaticContact CD1-CE2 3.72Å; F52-F56 HydrophobicContact CD1-CE2 3.72Å; F52-F56 HydrophobicContact CD1-CZ 4.18Å; F52-F56 HydrophobicContact CG-CE2 4.04Å; F52-F56 WeakPolarHBondContact O-CB 3.41Å; F52-F56 WeakPolarHBondContact O-CD2 3.28Å; F52-F56 PolarHBondContact O-N 3.05Å; F56-M58 HydrophobicContact CB-CB 4.22Å; F56-M58 PolarHBondContact O-N 3.22Å; F56-W109 HydrophobicContact CD2-CB 4.08Å; F56-W109 AromaticContact CD2-CD1 3.54Å; F56-W109 AromaticContact CD2-CD2 3.59Å; F56-W109 HydrophobicContact CD2-CD2 3.59Å; F56-W109 AromaticContact CD2-CE2 3.78Å; F56-W109 HydrophobicContact CD2-CE3 4.25Å; F56-W109 AromaticContact CD2-CG 3.46Å; F56-W109 HydrophobicContact CD2-CG 3.46Å; F56-W109 VanDerWaalsContact CD2-CG 3.46Å; F56-W109 AromaticContact CD2-NE1 3.71Å; F56-W109 HydrophobicContact CE2-CB 3.95Å; F56-W109 AromaticContact CE2-CD2 3.87Å; F56-W109 HydrophobicContact CE2-CD2 3.87Å; F56-W109 HydrophobicContact CE2-CE3 4.17Å; F56-W109 AromaticContact CE2-CG 3.76Å; F56-W109 HydrophobicContact CE2-CG 3.76Å; F56-W109 AromaticContact CG-CD1 3.99Å; F56-W109 HydrophobicContact CG-CG 4.27Å; F56-F110 HydrophobicContact CE1-CD2 4.5Å; F56-F110 AromaticContact CE1-CE2 3.65Å; F56-F110 HydrophobicContact CE1-CE2 3.65Å; F56-F110 HydrophobicContact CZ-CD2 4.1Å; F56-F110 AromaticContact CZ-CE2 3.68Å; F56-F110 HydrophobicContact CZ-CE2 3.68Å; F56-L132 HydrophobicContact CE1-CD2 4.17Å; F56-L132 HydrophobicContact CZ-CD1 3.72Å; F56-L132 HydrophobicContact CZ-CD2 3.59Å; F56-L132 HydrophobicContact CZ-CG 4.32Å; F56-I282 HydrophobicContact CD1-CG2 4.05Å; F56-I282 HydrophobicContact CE1-CG2 3.9Å; F56-R283 WeakPolarHBondContact O-CD 3.39Å; F56-R283 VanDerWaalsContact O-CG 3.27Å; F56-R283 WeakPolarHBondContact O-CG 3.33Å; F56-L286 HydrophobicContact CB-CD1 4.12Å; F56-L286 HydrophobicContact CD1-CD1 3.46Å; F56-L286 VanDerWaalsContact CD1-CD1 3.46Å; F56-L286 HydrophobicContact CD2-CD1 4.33Å; F56-L286 HydrophobicContact CE1-CD1 3.94Å; F56-L286 HydrophobicContact CG-CD1 3.71Å
57G84.1Confident74.3Confident59 Ų5938.9 Ų38.961%0.60820%0.203SC*.THydrogen-bonded Turntrans60.830.4-17200000112.1E53E53-G57 VanDerWaalsContact O-CA 3.26Å; E53-G57 WeakPolarHBondContact O-CA 3.4Å; E53-G57 PolarHBondContact O-N 3.28Å
58M80.1Confident71.7Confident42 Ų4237.4 Ų37.421%0.20720%0.202CC..  trans-134.4124.3-176.5-70.8-174.370.200109.4E53 F56 W109 L113 L286E53-M58 PolarHBondContact O-N 3.02Å; F56-M58 HydrophobicContact CB-CB 4.22Å; F56-M58 PolarHBondContact O-N 3.22Å; M58-W109 WeakPolarHBondContact O-CZ2 2.92Å; M58-W109 PolarHBondContact O-NE1 3Å; M58-L113 HydrophobicContact CE-CD2 3.42Å; M58-L113 VanDerWaalsContact CE-CD2 3.42Å; M58-L113 HydrophobicContact SD-CD2 4.45Å; M58-L286 HydrophobicContact CE-CB 4.49Å; M58-L286 HydrophobicContact SD-CB 3.57Å; M58-L286 VanDerWaalsContact SD-CB 3.57Å; M58-L286 HydrophobicContact SD-CD1 4.47Å
59E77.3Confident69.8Low100 Ų10039.3 Ų39.347%0.46722%0.216SC..  trans-74.9143.9-174.8-41.1-168.7153.700112.3R22R22-E59 VanDerWaalsContact CZ-CD 3.42Å; R22-E59 IonicContact CZ-OE1 3.4Å; R22-E59 IonicContact CZ-OE2 3.15Å; R22-E59 VanDerWaalsContact NH1-CG 3.27Å; R22-E59 IonicContact NH1-OE1 3.08Å; R22-E59 PolarHBondContact NH1-OE1 3.1Å; R22-E59 IonicContact NH1-OE2 2.72Å; R22-E59 IonicContact NH2-OE1 2.72Å; R22-E59 PolarHBondContact NH2-OE1 2.72Å; R22-E59 IonicContact NH2-OE2 3.1Å; R22-E59 PolarHBondContact NH2-OE2 3.4Å; R22-E59 VanDerWaalsContact NH2-OE2 3.1Å
60Y70.5Confident68.8Low15 Ų1540 Ų406%0.05922%0.219CC..  trans-84120.6165.6-174.1-104000109.7V24 L49 E53 F62 C64 W72 M108V24-Y60 HydrophobicContact CG1-CD1 4.41Å; L49-Y60 HydrophobicContact CD1-CD1 4.1Å; L49-Y60 HydrophobicContact CD1-CD2 4.23Å; L49-Y60 HydrophobicContact CD1-CG 3.86Å; L49-Y60 HydrophobicContact CD2-CD1 3.86Å; L49-Y60 HydrophobicContact CD2-CG 4.23Å; L49-Y60 HydrophobicContact CG-CG 4.45Å; E53-Y60 PolarHBondContact OE1-N 3.31Å; Y60-F62 VanDerWaalsContact CD1-O 3.23Å; Y60-F62 WeakPolarHBondContact CD1-O 3.37Å; Y60-F62 VanDerWaalsContact CE1-C 3.46Å; Y60-F62 HydrophobicContact CE1-CB 3.95Å; Y60-F62 WeakPolarHBondContact CE1-O 3.26Å; Y60-C64 HydrophobicContact CE1-CB 3.91Å; Y60-W72 AromaticContact CE2-NE1 3.67Å; Y60-M108 HydrophobicContact CD2-CB 3.83Å; Y60-M108 HydrophobicContact CD2-CG 4.07Å; Y60-M108 HydrophobicContact CE2-CB 3.65Å; Y60-M108 HydrophobicContact CE2-CG 3.51Å; Y60-M108 HydrophobicContact CE2-SD 3.62Å
61T55.7Low68.3Low103 Ų10340 Ų4063%0.63222%0.219SC*.  trans-1023.1-169.732.70000114.8
62F59Low67.7Low101 Ų10141.4 Ų41.444%0.44322%0.224SC..SBendtrans-115.9170.5-175.5-62.3-73.6000113Y60 W72Y60-F62 VanDerWaalsContact CD1-O 3.23Å; Y60-F62 WeakPolarHBondContact CD1-O 3.37Å; Y60-F62 VanDerWaalsContact CE1-C 3.46Å; Y60-F62 HydrophobicContact CE1-CB 3.95Å; Y60-F62 WeakPolarHBondContact CE1-O 3.26Å; F62-W72 AromaticContact CD2-CE2 3.95Å; F62-W72 HydrophobicContact CD2-CZ2 4.28Å; F62-W72 AromaticContact CD2-NE1 3.57Å; F62-W72 AromaticContact CE2-CE2 3.89Å; F62-W72 AromaticContact CE2-CZ2 3.86Å; F62-W72 HydrophobicContact CE2-CZ2 3.86Å
63F43Very low67.1Low132 Ų13241.7 Ų41.758%0.57923%0.227SC*.  trans-76.9137.3163.9-70.5-81.5000109A25 F65 G73A25-F63 HydrophobicContact CB-CD1 4.35Å; A25-F63 HydrophobicContact CB-CE1 4.32Å; F63-F65 HydrophobicContact CB-CE2 4.46Å; F63-F65 HydrophobicContact CB-CZ 4.17Å; F63-G73 WeakPolarHBondContact O-CA 3.39Å
64C44.6Very low67.1Low3 Ų343 Ų432%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-107119.9177.7-168.50000110.6V26 R27 Y60V26-C64 WeakPolarHBondContact CA-O 3.41Å; V26-C64 HydrophobicContact CG1-CB 4.46Å; V26-C64 HydrophobicContact CG2-CB 4.43Å; R27-C64 PolarHBondContact N-O 3Å; Y60-C64 HydrophobicContact CE1-CB 3.91Å
65F47Very low67Low56 Ų5638.9 Ų38.925%0.24621%0.213CC..EExtended strand (participates in β ladder)trans-109.5141.4169.8-49.4-59.1000109.5R27 Y29 F63 G73 L74 I75R27-F65 HydrophobicContact CB-CD1 4.02Å; R27-F65 HydrophobicContact CB-CE1 4.37Å; R27-F65 WeakPolarHBondContact O-CA 3.46Å; Y29-F65 HydrophobicContact CD2-CB 4.41Å; Y29-F65 HydrophobicContact CD2-CD1 4.28Å; Y29-F65 HydrophobicContact CE2-CB 4.39Å; Y29-F65 AromaticContact CE2-CD1 3.5Å; Y29-F65 HydrophobicContact CE2-CD1 3.5Å; Y29-F65 AromaticContact CE2-CE1 3.96Å; Y29-F65 HydrophobicContact CE2-CE1 3.96Å; Y29-F65 HydrophobicContact CE2-CG 4.14Å; F63-F65 HydrophobicContact CB-CE2 4.46Å; F63-F65 HydrophobicContact CB-CZ 4.17Å; F65-G73 VanDerWaalsContact CB-O 3.25Å; F65-G73 WeakPolarHBondContact CB-O 3.37Å; F65-G73 WeakPolarHBondContact CD2-O 3.42Å; F65-G73 VanDerWaalsContact CG-O 3.3Å; F65-G73 WeakPolarHBondContact CG-O 3.46Å; F65-G73 PolarHBondContact N-O 3.3Å; F65-L74 HydrophobicContact CB-CB 4.38Å; F65-L74 HydrophobicContact CB-CD1 3.53Å; F65-L74 HydrophobicContact CD2-CB 4.33Å; F65-L74 HydrophobicContact CD2-CD1 4.33Å; F65-L74 HydrophobicContact CG-CD1 4.29Å; F65-L74 CarbonylContact O-C 3.51Å; F65-I75 WeakPolarHBondContact O-CG1 3.38Å; F65-I75 PolarHBondContact O-N 2.84Å
66L34.4Very low67Low11 Ų1142 Ų426%0.05823%0.232CC..  trans-99.2142.8-166.3-73.3173.5000116.5V26 R27 F28 L42 A45 I75 F77V26-L66 HydrophobicContact CG1-CD1 4.02Å; V26-L66 HydrophobicContact CG1-CG 4.14Å; R27-L66 PolarHBondContact O-N 3.17Å; F28-L66 HydrophobicContact CB-CD1 4.34Å; F28-L66 HydrophobicContact CD2-CB 4Å; F28-L66 HydrophobicContact CD2-CD1 4.14Å; L42-L66 HydrophobicContact CD1-CD1 4.28Å; A45-L66 HydrophobicContact CB-CD1 3.46Å; A45-L66 VanDerWaalsContact CB-CD1 3.46Å; A45-L66 HydrophobicContact CB-CD2 3.54Å; A45-L66 HydrophobicContact CB-CG 4.05Å; L66-I75 CarbonylContact C-O 3.33Å; L66-I75 HydrophobicContact CD2-CD1 4.18Å; L66-F77 HydrophobicContact CB-CD2 4.39Å; L66-F77 HydrophobicContact CB-CE2 3.99Å; L66-F77 HydrophobicContact CD2-CE2 4.18Å
67G40.6Very low67Low0 Ų043.7 Ų43.70%024%0.239CC..  trans175.8-176.3178.700000114.6I75 T76 F77G67-I75 VanDerWaalsContact C-CG2 3.41Å; G67-I75 WeakPolarHBondContact CA-O 3.49Å; G67-I75 PolarHBondContact N-O 3.14Å; G67-I75 WeakPolarHBondContact O-CB 3.44Å; G67-I75 WeakPolarHBondContact O-CG2 3.1Å; G67-T76 VanDerWaalsContact C-CA 3.45Å; G67-F77 VanDerWaalsContact C-CA 3.5Å; G67-F77 VanDerWaalsContact C-CE1 3.42Å; G67-F77 VanDerWaalsContact C-CZ 3.44Å; G67-F77 VanDerWaalsContact CA-CA 3.48Å; G67-F77 VanDerWaalsContact CA-CB 3.41Å; G67-F77 VanDerWaalsContact O-CD1 3.3Å; G67-F77 WeakPolarHBondContact O-CD1 3.37Å; G67-F77 WeakPolarHBondContact O-CD2 3.36Å; G67-F77 WeakPolarHBondContact O-CE1 3.25Å; G67-F77 WeakPolarHBondContact O-CE2 3.23Å; G67-F77 VanDerWaalsContact O-CG 3.29Å; G67-F77 WeakPolarHBondContact O-CG 3.45Å; G67-F77 WeakPolarHBondContact O-CZ 3.44Å
68A43.1Very low66.9Low30 Ų3047 Ų4725%0.24823%0.234CC..SBendtrans-104.821.2-170.700000116.2T76 F77A68-T76 CarbonylContact C-O 3.6Å; A68-T76 WeakPolarHBondContact CA-O 3.47Å; A68-T76 VanDerWaalsContact CB-O 3.3Å; A68-T76 WeakPolarHBondContact CB-O 3.22Å; A68-T76 VanDerWaalsContact N-N 3.19Å; A68-T76 PolarHBondContact N-O 3.38Å; A68-F77 VanDerWaalsContact CB-CA 3.42Å; A68-F77 HydrophobicContact CB-CB 4.02Å; A68-F77 HydrophobicContact CB-CD1 3.39Å; A68-F77 HydrophobicContact CB-CE1 4.12Å; A68-F77 HydrophobicContact CB-CG 3.97Å
69S55.6Low67.2Low41 Ų4148.7 Ų48.729%0.28724%0.241SC..SBendtrans-137.3127.5164.7179.60000103.7N71 I75 T76S69-N71 VanDerWaalsContact C-OD1 3.27Å; S69-N71 WeakPolarHBondContact CB-OD1 3.23Å; S69-N71 PolarHBondContact O-N 2.98Å; S69-N71 PolarHBondContact O-OD1 2.9Å; S69-N71 VanDerWaalsContact O-OD1 3.13Å; S69-N71 PolarHBondContact OG-OD1 2.57Å; S69-I75 CarbonylContact O-C 3.33Å; S69-I75 WeakPolarHBondContact O-CA 3.22Å; S69-I75 WeakPolarHBondContact O-CG2 3.26Å; S69-T76 WeakPolarHBondContact CB-OG1 3.48Å; S69-T76 PolarHBondContact N-O 3.11Å; S69-T76 PolarHBondContact O-N 2.83Å
70E74.2Confident67.5Low15 Ų1546.6 Ų46.67%0.0723%0.232CC..  trans-65.219.7-165.367.9-69.5160.300117.1Y4 L5 W72 E104 H107 M108 N112 K125Y4-E70 VanDerWaalsContact CE2-OE1 3.25Å; Y4-E70 WeakPolarHBondContact CE2-OE1 3.47Å; L5-E70 HydrophobicContact CD2-CG 3.89Å; E70-W72 PolarHBondContact O-N 3.48Å; E70-W72 VanDerWaalsContact O-N 3.16Å; E70-E104 PolarHBondContact N-OE2 2.99Å; E70-E104 VanDerWaalsContact N-OE2 3.12Å; E70-H107 HydrophobicContact CB-CB 3.32Å; E70-H107 VanDerWaalsContact CB-CD2 3.48Å; E70-H107 WeakPolarHBondContact CB-CD2 3.24Å; E70-H107 HydrophobicContact CG-CB 3.67Å; E70-H107 IonicContact OE2-CD2 3.48Å; E70-M108 HydrophobicContact CB-CE 4.39Å; E70-M108 WeakPolarHBondContact O-CE 3.41Å; E70-N112 PolarHBondContact O-ND2 2.65Å; E70-N112 PolarHBondContact O-OD1 2.83Å; E70-K125 WeakPolarHBondContact OE1-CE 3.4Å; E70-K125 IonicContact OE1-NZ 2.61Å; E70-K125 PolarHBondContact OE1-NZ 2.74Å; E70-K125 IonicContact OE2-NZ 3.72Å; E70-K125 PolarHBondContact OE2-NZ 3.39Å; E70-K125 VanDerWaalsContact OE2-NZ 3.08Å
71N81.9Confident68.5Low15 Ų1549.4 Ų49.48%0.0824%0.243CC..  trans-48.8122.6179.9-60.152.6000109.6L5 I6 A7 S69 G73 L74 I75L5-N71 WeakPolarHBondContact O-CA 3.25Å; L5-N71 VanDerWaalsContact O-CB 3.3Å; L5-N71 WeakPolarHBondContact O-CB 3.3Å; I6-N71 PolarHBondContact O-ND2 3.44Å; A7-N71 HydrophobicContact CB-CB 3.54Å; A7-N71 WeakPolarHBondContact CB-ND2 3.38Å; S69-N71 VanDerWaalsContact C-OD1 3.27Å; S69-N71 WeakPolarHBondContact CB-OD1 3.23Å; S69-N71 PolarHBondContact O-N 2.98Å; S69-N71 PolarHBondContact O-OD1 2.9Å; S69-N71 VanDerWaalsContact O-OD1 3.13Å; S69-N71 PolarHBondContact OG-OD1 2.57Å; N71-G73 PolarHBondContact O-N 3.02Å; N71-L74 VanDerWaalsContact CB-O 3.27Å; N71-L74 WeakPolarHBondContact CB-O 3.22Å; N71-L74 CarbonylContact O-C 3.58Å; N71-L74 PolarHBondContact O-N 3.44Å; N71-I75 PolarHBondContact O-N 2.89Å
72W82.1Confident70.2Confident41 Ų4144.7 Ų44.716%0.15521%0.214CC..THydrogen-bonded Turntrans-65.5111-160.2-157.7-12.9000111.4M1 L5 Y60 F62 E70 L74 N112 L113 F291M1-W72 HydrophobicContact CB-CE3 3.75Å; M1-W72 HydrophobicContact CB-CZ3 4.07Å; M1-W72 HydrophobicContact CE-CB 4.2Å; L5-W72 HydrophobicContact CD1-CE3 4.49Å; Y60-W72 AromaticContact CE2-NE1 3.67Å; F62-W72 AromaticContact CD2-CE2 3.95Å; F62-W72 HydrophobicContact CD2-CZ2 4.28Å; F62-W72 AromaticContact CD2-NE1 3.57Å; F62-W72 AromaticContact CE2-CE2 3.89Å; F62-W72 AromaticContact CE2-CZ2 3.86Å; F62-W72 HydrophobicContact CE2-CZ2 3.86Å; E70-W72 PolarHBondContact O-N 3.48Å; E70-W72 VanDerWaalsContact O-N 3.16Å; W72-L74 VanDerWaalsContact C-N 3.29Å; W72-L74 PolarHBondContact O-N 3.23Å; W72-N112 HydrophobicContact CD2-CB 3.67Å; W72-N112 HydrophobicContact CE3-CB 3.76Å; W72-N112 HydrophobicContact CG-CB 4.08Å; W72-N112 HydrophobicContact CH2-CB 4.38Å; W72-N112 HydrophobicContact CZ2-CB 4.3Å; W72-N112 HydrophobicContact CZ3-CB 4.12Å; W72-N112 WeakPolarHBondContact CZ3-O 3.36Å; W72-L113 HydrophobicContact CH2-CB 4.27Å; W72-L113 HydrophobicContact CH2-CD1 4.1Å; W72-L113 HydrophobicContact CZ2-CB 4.37Å; W72-L113 HydrophobicContact CZ2-CD1 4.36Å; W72-F291 AromaticContact CH2-CD1 3.89Å; W72-F291 HydrophobicContact CH2-CD1 3.89Å; W72-F291 AromaticContact CH2-CE1 3.68Å; W72-F291 HydrophobicContact CH2-CE1 3.68Å; W72-F291 HydrophobicContact CZ2-CE1 4.26Å; W72-F291 HydrophobicContact CZ3-CD1 4.47Å
73G81.7Confident71.9Confident7 Ų740.9 Ų40.97%0.07220%0.198CC..THydrogen-bonded Turntrans83.9-7.8-177.100000114.6F63 F65 N71F63-G73 WeakPolarHBondContact O-CA 3.39Å; F65-G73 VanDerWaalsContact CB-O 3.25Å; F65-G73 WeakPolarHBondContact CB-O 3.37Å; F65-G73 WeakPolarHBondContact CD2-O 3.42Å; F65-G73 VanDerWaalsContact CG-O 3.3Å; F65-G73 WeakPolarHBondContact CG-O 3.46Å; F65-G73 PolarHBondContact N-O 3.3Å; N71-G73 PolarHBondContact O-N 3.02Å
74L89.5Confident74.4Confident39 Ų3935.3 Ų35.320%0.20417%0.174CC..BIsolated β-bridgetrans-14075.3170.6179.461.1000110.7A7 A9 F65 N71 W72 T76A7-L74 HydrophobicContact CB-CB 4.22Å; A7-L74 HydrophobicContact CB-CD2 3.93Å; A7-L74 HydrophobicContact CB-CG 4.19Å; A9-L74 HydrophobicContact CB-CD2 4.35Å; F65-L74 HydrophobicContact CB-CB 4.38Å; F65-L74 HydrophobicContact CB-CD1 3.53Å; F65-L74 HydrophobicContact CD2-CB 4.33Å; F65-L74 HydrophobicContact CD2-CD1 4.33Å; F65-L74 HydrophobicContact CG-CD1 4.29Å; F65-L74 CarbonylContact O-C 3.51Å; N71-L74 VanDerWaalsContact CB-O 3.27Å; N71-L74 WeakPolarHBondContact CB-O 3.22Å; N71-L74 CarbonylContact O-C 3.58Å; N71-L74 PolarHBondContact O-N 3.44Å; W72-L74 VanDerWaalsContact C-N 3.29Å; W72-L74 PolarHBondContact O-N 3.23Å; L74-T76 HydrophobicContact CG-CG2 4.5Å
75I87.5Confident76.8Confident1 Ų136.7 Ų36.71%0.00518%0.181CC..  trans-62.7144.7175.3-34.3-176.8000107.1F65 L66 G67 S69 N71 E104 V105 M108F65-I75 WeakPolarHBondContact O-CG1 3.38Å; F65-I75 PolarHBondContact O-N 2.84Å; L66-I75 CarbonylContact C-O 3.33Å; L66-I75 HydrophobicContact CD2-CD1 4.18Å; G67-I75 VanDerWaalsContact C-CG2 3.41Å; G67-I75 WeakPolarHBondContact CA-O 3.49Å; G67-I75 PolarHBondContact N-O 3.14Å; G67-I75 WeakPolarHBondContact O-CB 3.44Å; G67-I75 WeakPolarHBondContact O-CG2 3.1Å; S69-I75 CarbonylContact O-C 3.33Å; S69-I75 WeakPolarHBondContact O-CA 3.22Å; S69-I75 WeakPolarHBondContact O-CG2 3.26Å; N71-I75 PolarHBondContact O-N 2.89Å; I75-E104 HydrophobicContact CD1-CB 4.27Å; I75-E104 HydrophobicContact CG2-CB 3.61Å; I75-E104 HydrophobicContact CG2-CG 4.03Å; I75-V105 HydrophobicContact CD1-CG2 4.37Å; I75-M108 HydrophobicContact CD1-CE 3.86Å; I75-M108 HydrophobicContact CG1-CE 4.07Å
76T87.4Confident78.8Confident68 Ų6840 Ų4042%0.41721%0.208SC..  trans-123.2100.1-176.558.40000120.2G67 A68 S69 L74G67-T76 VanDerWaalsContact C-CA 3.45Å; A68-T76 CarbonylContact C-O 3.6Å; A68-T76 WeakPolarHBondContact CA-O 3.47Å; A68-T76 VanDerWaalsContact CB-O 3.3Å; A68-T76 WeakPolarHBondContact CB-O 3.22Å; A68-T76 VanDerWaalsContact N-N 3.19Å; A68-T76 PolarHBondContact N-O 3.38Å; S69-T76 WeakPolarHBondContact CB-OG1 3.48Å; S69-T76 PolarHBondContact N-O 3.11Å; S69-T76 PolarHBondContact O-N 2.83Å; L74-T76 HydrophobicContact CG-CG2 4.5Å
77F86.9Confident81.5Confident39 Ų3948.1 Ų48.117%0.17124%0.243CC..  trans-96.9149.7-155.2-76.6-70.6000113.5L66 G67 A68 V82 V100 V101 E104L66-F77 HydrophobicContact CB-CD2 4.39Å; L66-F77 HydrophobicContact CB-CE2 3.99Å; L66-F77 HydrophobicContact CD2-CE2 4.18Å; G67-F77 VanDerWaalsContact C-CA 3.5Å; G67-F77 VanDerWaalsContact C-CE1 3.42Å; G67-F77 VanDerWaalsContact C-CZ 3.44Å; G67-F77 VanDerWaalsContact CA-CA 3.48Å; G67-F77 VanDerWaalsContact CA-CB 3.41Å; G67-F77 VanDerWaalsContact O-CD1 3.3Å; G67-F77 WeakPolarHBondContact O-CD1 3.37Å; G67-F77 WeakPolarHBondContact O-CD2 3.36Å; G67-F77 WeakPolarHBondContact O-CE1 3.25Å; G67-F77 WeakPolarHBondContact O-CE2 3.23Å; G67-F77 VanDerWaalsContact O-CG 3.29Å; G67-F77 WeakPolarHBondContact O-CG 3.45Å; G67-F77 WeakPolarHBondContact O-CZ 3.44Å; A68-F77 VanDerWaalsContact CB-CA 3.42Å; A68-F77 HydrophobicContact CB-CB 4.02Å; A68-F77 HydrophobicContact CB-CD1 3.39Å; A68-F77 HydrophobicContact CB-CE1 4.12Å; A68-F77 HydrophobicContact CB-CG 3.97Å; F77-V82 HydrophobicContact CB-CG1 3.91Å; F77-V82 HydrophobicContact CB-CG2 3.84Å; F77-V82 HydrophobicContact CD1-CG1 3.77Å; F77-V82 HydrophobicContact CD2-CB 4.2Å; F77-V82 HydrophobicContact CD2-CG1 2.97Å; F77-V82 HydrophobicContact CD2-CG2 4.33Å; F77-V82 HydrophobicContact CE1-CG1 4.19Å; F77-V82 HydrophobicContact CE2-CG1 3.45Å; F77-V82 VanDerWaalsContact CE2-CG1 3.45Å; F77-V82 HydrophobicContact CG-CB 4.38Å; F77-V82 HydrophobicContact CG-CG1 3.3Å; F77-V82 HydrophobicContact CG-CG2 4.23Å; F77-V82 HydrophobicContact CZ-CG1 4.07Å; F77-V100 HydrophobicContact CD1-CG1 4.26Å; F77-V100 HydrophobicContact CE1-CG1 3.81Å; F77-V101 HydrophobicContact CE1-CG2 4.25Å; F77-V101 HydrophobicContact CE2-CG2 4.12Å; F77-V101 HydrophobicContact CZ-CB 4.31Å; F77-V101 HydrophobicContact CZ-CG2 3.7Å; F77-E104 HydrophobicContact CE1-CG 3.79Å; F77-E104 HydrophobicContact CZ-CB 4.38Å; F77-E104 HydrophobicContact CZ-CG 4.08Å
78R82.4Confident83.9Confident129 Ų12951.1 Ų51.149%0.48726%0.258SS..  trans-76.6139.4154.8-63.1-174.9179.8-179.92.3108.7L80 Y81R78-L80 HydrophobicContact CB-CD2 4.22Å; R78-L80 PolarHBondContact O-N 2.93Å; R78-Y81 HydrophobicContact CB-CD2 3.95Å; R78-Y81 HydrophobicContact CB-CE2 4.46Å; R78-Y81 PolarHBondContact O-N 3.46Å
79E86.6Confident86.4Confident77 Ų7750.3 Ų50.336%0.3625%0.251SS..G310 helixtrans-48-40.9-178.7-64.8178.2164.500113.2Y81 V82 F83E79-Y81 PolarHBondContact O-N 3.35Å; E79-Y81 VanDerWaalsContact O-N 3.11Å; E79-V82 PolarHBondContact O-N 3.08Å; E79-V82 VanDerWaalsContact O-N 3.13Å; E79-F83 HydrophobicContact CB-CD2 3.69Å; E79-F83 HydrophobicContact CB-CE2 3.79Å; E79-F83 HydrophobicContact CB-CG 4.28Å; E79-F83 HydrophobicContact CB-CZ 4.46Å; E79-F83 HydrophobicContact CG-CD2 4.07Å; E79-F83 HydrophobicContact CG-CE2 3.6Å; E79-F83 HydrophobicContact CG-CZ 4.08Å; E79-F83 VanDerWaalsContact O-CB 3.31Å; E79-F83 WeakPolarHBondContact O-CB 3.31Å; E79-F83 PolarHBondContact O-N 3.23Å
80L84.7Confident88.3Confident55 Ų5549.2 Ų49.229%0.28824%0.243SC..G310 helixtrans-63.9-19.3-177.591.4114.5000114.6R78R78-L80 HydrophobicContact CB-CD2 4.22Å; R78-L80 PolarHBondContact O-N 2.93Å
81Y89.7Confident89.3Confident74 Ų7449.6 Ų49.629%0.2925%0.246SC..G310 helixtrans-98.87.3-177.9-64.8-55.6000112.3R78 E79 V100R78-Y81 HydrophobicContact CB-CD2 3.95Å; R78-Y81 HydrophobicContact CB-CE2 4.46Å; R78-Y81 PolarHBondContact O-N 3.46Å; E79-Y81 PolarHBondContact O-N 3.35Å; E79-Y81 VanDerWaalsContact O-N 3.11Å; Y81-V100 HydrophobicContact CD1-CB 4.43Å; Y81-V100 HydrophobicContact CD1-CG1 4.38Å; Y81-V100 HydrophobicContact CD1-CG2 3.9Å; Y81-V100 HydrophobicContact CE1-CG2 4.27Å; Y81-V100 HydrophobicContact CG-CG1 4.14Å; Y81-V100 HydrophobicContact CG-CG2 4.47Å
82V93Very high89.8Confident4 Ų451.3 Ų51.32%0.02426%0.257CS..THydrogen-bonded Turntrans-144.8-24.3176.5-77.50000116.1F28 A41 F77 E79 I84 V101F28-V82 HydrophobicContact CE2-CB 3.6Å; F28-V82 HydrophobicContact CE2-CG1 3.89Å; F28-V82 HydrophobicContact CE2-CG2 3.78Å; F28-V82 HydrophobicContact CZ-CB 3.92Å; F28-V82 HydrophobicContact CZ-CG2 3.76Å; A41-V82 HydrophobicContact CB-CB 3.8Å; A41-V82 HydrophobicContact CB-CG1 3.65Å; F77-V82 HydrophobicContact CB-CG1 3.91Å; F77-V82 HydrophobicContact CB-CG2 3.84Å; F77-V82 HydrophobicContact CD1-CG1 3.77Å; F77-V82 HydrophobicContact CD2-CB 4.2Å; F77-V82 HydrophobicContact CD2-CG1 2.97Å; F77-V82 HydrophobicContact CD2-CG2 4.33Å; F77-V82 HydrophobicContact CE1-CG1 4.19Å; F77-V82 HydrophobicContact CE2-CG1 3.45Å; F77-V82 VanDerWaalsContact CE2-CG1 3.45Å; F77-V82 HydrophobicContact CG-CB 4.38Å; F77-V82 HydrophobicContact CG-CG1 3.3Å; F77-V82 HydrophobicContact CG-CG2 4.23Å; F77-V82 HydrophobicContact CZ-CG1 4.07Å; E79-V82 PolarHBondContact O-N 3.08Å; E79-V82 VanDerWaalsContact O-N 3.13Å; V82-I84 PolarHBondContact O-N 3.45Å; V82-V101 HydrophobicContact CG1-CG2 4.19Å
83F94.2Very high90.4Very high21 Ų2150.1 Ų50.19%0.09226%0.256CS..  trans-82.2113.9179-70.2-3.3000109.9F28 N34 L37 E79 F591F28-F83 AromaticContact CE1-CE1 3.96Å; F28-F83 HydrophobicContact CE1-CE1 3.96Å; F28-F83 HydrophobicContact CZ-CD1 4.06Å; F28-F83 AromaticContact CZ-CE1 3.72Å; F28-F83 HydrophobicContact CZ-CE1 3.72Å; N34-F83 HydrophobicContact CB-CE1 4.44Å; N34-F83 HydrophobicContact CB-CE2 3.94Å; N34-F83 HydrophobicContact CB-CZ 3.69Å; L37-F83 HydrophobicContact CB-CB 3.87Å; L37-F83 HydrophobicContact CB-CD1 3.82Å; L37-F83 HydrophobicContact CB-CD2 4.37Å; L37-F83 HydrophobicContact CB-CE1 4.45Å; L37-F83 HydrophobicContact CB-CG 3.78Å; L37-F83 HydrophobicContact CD1-CB 4.27Å; L37-F83 HydrophobicContact CD1-CD2 3.81Å; L37-F83 HydrophobicContact CD1-CE2 4.3Å; L37-F83 HydrophobicContact CD1-CG 4.04Å; L37-F83 WeakPolarHBondContact O-CA 3.41Å; E79-F83 HydrophobicContact CB-CD2 3.69Å; E79-F83 HydrophobicContact CB-CE2 3.79Å; E79-F83 HydrophobicContact CB-CG 4.28Å; E79-F83 HydrophobicContact CB-CZ 4.46Å; E79-F83 HydrophobicContact CG-CD2 4.07Å; E79-F83 HydrophobicContact CG-CE2 3.6Å; E79-F83 HydrophobicContact CG-CZ 4.08Å; E79-F83 VanDerWaalsContact O-CB 3.31Å; E79-F83 WeakPolarHBondContact O-CB 3.31Å; E79-F83 PolarHBondContact O-N 3.23Å; F83-F591 HydrophobicContact CB-CE2 4.4Å
84I95.8Very high91.1Very high16 Ų1653.5 Ų53.58%0.08227%0.269CS..  trans-116.3118.9170.5-66.3-59.4000108.8L37 F40 V82 A93 K94 V97L37-I84 PolarHBondContact O-N 2.92Å; F40-I84 HydrophobicContact CB-CB 4.12Å; F40-I84 HydrophobicContact CB-CG1 4.28Å; F40-I84 HydrophobicContact CB-CG2 4.44Å; F40-I84 HydrophobicContact CD1-CB 4.47Å; F40-I84 HydrophobicContact CD1-CG1 3.76Å; F40-I84 HydrophobicContact CG-CG1 4.35Å; V82-I84 PolarHBondContact O-N 3.45Å; I84-A93 HydrophobicContact CD1-CB 4.32Å; I84-K94 HydrophobicContact CD1-CB 4.27Å; I84-V97 HydrophobicContact CD1-CB 4.16Å; I84-V97 HydrophobicContact CD1-CG2 3.57Å; I84-V97 HydrophobicContact CG1-CB 4.12Å; I84-V97 HydrophobicContact CG1-CG1 4.24Å; I84-V97 HydrophobicContact CG1-CG2 3.83Å
85D93.8Very high91.5Very high31 Ų3151.9 Ų51.917%0.16626%0.26CS..  trans-98.3117.9167.9-177.1-54.8000108.4L37 K87 M88 S89 F591L37-D85 HydrophobicContact CD2-CB 4.09Å; D85-K87 PolarHBondContact O-N 2.89Å; D85-K87 WeakPolarHBondContact OD1-CA 3.4Å; D85-K87 WeakPolarHBondContact OD1-CB 3.44Å; D85-K87 PolarHBondContact OD1-N 2.87Å; D85-M88 HydrophobicContact CB-CB 4.01Å; D85-M88 HydrophobicContact CB-CE 4.15Å; D85-M88 PolarHBondContact O-N 2.9Å; D85-M88 VanDerWaalsContact O-N 3.11Å; D85-M88 PolarHBondContact OD1-N 3.42Å; D85-M88 VanDerWaalsContact OD1-N 3.08Å; D85-M88 VanDerWaalsContact OD2-CE 3.23Å; D85-M88 WeakPolarHBondContact OD2-CE 3.37Å; D85-S89 PolarHBondContact N-OG 3.46Å; D85-S89 VanDerWaalsContact N-OG 3.08Å; D85-S89 VanDerWaalsContact O-CB 3.3Å; D85-S89 WeakPolarHBondContact O-CB 3.38Å; D85-S89 PolarHBondContact O-N 3Å; D85-F591 HydrophobicContact CB-CE1 4.35Å; D85-F591 HydrophobicContact CB-CE2 4.15Å; D85-F591 HydrophobicContact CB-CZ 3.92Å
86P90.1Very high91.8Very high126 Ų12655.1 Ų55.182%0.81828%0.277SS*.THydrogen-bonded Turntrans-58.4-18.8-177.3-26.434.8000115.4
87K90.2Very high92.3Very high181 Ų18151.9 Ų51.979%0.78726%0.258SS*.THydrogen-bonded Turntrans-100.1-26.2179.4-61.4178.7-179.4175.20112.7D85 P560D85-K87 PolarHBondContact O-N 2.89Å; D85-K87 WeakPolarHBondContact OD1-CA 3.4Å; D85-K87 WeakPolarHBondContact OD1-CB 3.44Å; D85-K87 PolarHBondContact OD1-N 2.87Å; K87-P560 WeakPolarHBondContact O-CG 3.45Å
88M92.4Very high92.8Very high63 Ų6350 Ų5031%0.3125%0.249SC..THydrogen-bonded Turntrans-111.7-24.1-173.2-60-163.8-72.900114.2D85 P560 R563 F591D85-M88 HydrophobicContact CB-CB 4.01Å; D85-M88 HydrophobicContact CB-CE 4.15Å; D85-M88 PolarHBondContact O-N 2.9Å; D85-M88 VanDerWaalsContact O-N 3.11Å; D85-M88 PolarHBondContact OD1-N 3.42Å; D85-M88 VanDerWaalsContact OD1-N 3.08Å; D85-M88 VanDerWaalsContact OD2-CE 3.23Å; D85-M88 WeakPolarHBondContact OD2-CE 3.37Å; M88-P560 WeakPolarHBondContact O-CB 3.31Å; M88-R563 PolarHBondContact O-NH1 3.02Å; M88-R563 PolarHBondContact O-NH2 2.67Å; M88-F591 HydrophobicContact CB-CD1 3.87Å; M88-F591 HydrophobicContact CB-CE1 3.91Å; M88-F591 HydrophobicContact CE-CB 3.68Å; M88-F591 HydrophobicContact CE-CD1 3.89Å; M88-F591 HydrophobicContact CE-CD2 4.1Å; M88-F591 HydrophobicContact CE-CG 3.63Å; M88-F591 HydrophobicContact SD-CB 4.33Å; M88-F591 HydrophobicContact SD-CD1 4.34Å; M88-F591 HydrophobicContact SD-CG 4.48Å
89S95.2Very high93.5Very high14 Ų1444.6 Ų44.610%0.09823%0.23CC..  trans-80.1135.5-177-71.70000112.6D85 P560 F591 E593D85-S89 PolarHBondContact N-OG 3.46Å; D85-S89 VanDerWaalsContact N-OG 3.08Å; D85-S89 VanDerWaalsContact O-CB 3.3Å; D85-S89 WeakPolarHBondContact O-CB 3.38Å; D85-S89 PolarHBondContact O-N 3Å; S89-P560 VanDerWaalsContact C-CB 3.48Å; S89-P560 VanDerWaalsContact O-CB 3.25Å; S89-P560 WeakPolarHBondContact O-CB 3.49Å; S89-F591 VanDerWaalsContact OG-CZ 3.31Å; S89-F591 WeakPolarHBondContact OG-CZ 3.31Å; S89-E593 VanDerWaalsContact CA-OE2 3.26Å; S89-E593 WeakPolarHBondContact CA-OE2 3.16Å; S89-E593 PolarHBondContact OG-OE2 3.2Å
90S94.6Very high93.9Very high18 Ų1842.5 Ų42.513%0.12622%0.223CC..  trans-69.3158.2172.354.50000112T92 A93 K94 D561 E593S90-T92 PolarHBondContact O-N 3.26Å; S90-A93 WeakPolarHBondContact O-CB 3.35Å; S90-A93 PolarHBondContact O-N 2.67Å; S90-A93 VanDerWaalsContact O-N 3.07Å; S90-A93 WeakPolarHBondContact OG-CB 3.26Å; S90-A93 PolarHBondContact OG-N 3.07Å; S90-A93 VanDerWaalsContact OG-N 3.15Å; S90-K94 PolarHBondContact O-N 3.34Å; S90-D561 WeakPolarHBondContact CB-OD1 3.3Å; S90-E593 VanDerWaalsContact CB-OE1 3.28Å; S90-E593 WeakPolarHBondContact CB-OE1 3.44Å; S90-E593 PolarHBondContact N-OE1 3.16Å; S90-E593 PolarHBondContact OG-OE1 3.28Å
91T94.8Very high94.5Very high22 Ų2239.9 Ų39.914%0.13521%0.209CC..Hα-helixtrans-57.3-40.6172-60.10000110.5K94 Q95 H519 M523 D561T91-K94 PolarHBondContact O-N 3.1Å; T91-Q95 PolarHBondContact O-N 2.88Å; T91-H519 HydrophobicContact CG2-CB 4.49Å; T91-H519 WeakPolarHBondContact CG2-CE1 3.24Å; T91-H519 WeakPolarHBondContact CG2-ND1 3.06Å; T91-M523 HydrophobicContact CG2-CG 3.96Å; T91-M523 HydrophobicContact CG2-SD 4.41Å; T91-D561 WeakPolarHBondContact CB-OD1 3.33Å; T91-D561 PolarHBondContact N-OD1 3.33Å; T91-D561 PolarHBondContact OG1-OD1 3.45Å; T91-D561 PolarHBondContact OG1-OD2 3.04Å
92T93.8Very high94.8Very high52 Ų5236.4 Ų36.432%0.31920%0.195SC..Hα-helixtrans-62.4-42.5172-56.40000112.8S90 K94 Q95 N96S90-T92 PolarHBondContact O-N 3.26Å; T92-K94 VanDerWaalsContact C-N 3.33Å; T92-K94 PolarHBondContact O-N 3.25Å; T92-Q95 PolarHBondContact O-N 3.39Å; T92-N96 WeakPolarHBondContact O-CB 3.37Å; T92-N96 PolarHBondContact O-N 2.88Å; T92-N96 PolarHBondContact O-ND2 3.11Å
93A94.6Very high95Very high15 Ų1536.9 Ų36.912%0.12420%0.197CC..Hα-helixtrans-61.8-43.8176.600000111.2I84 S90 N96 V97 E593I84-A93 HydrophobicContact CD1-CB 4.32Å; S90-A93 WeakPolarHBondContact O-CB 3.35Å; S90-A93 PolarHBondContact O-N 2.67Å; S90-A93 VanDerWaalsContact O-N 3.07Å; S90-A93 WeakPolarHBondContact OG-CB 3.26Å; S90-A93 PolarHBondContact OG-N 3.07Å; S90-A93 VanDerWaalsContact OG-N 3.15Å; A93-N96 PolarHBondContact O-N 2.88Å; A93-V97 WeakPolarHBondContact O-CG2 3.39Å; A93-V97 PolarHBondContact O-N 3.37Å; A93-E593 WeakPolarHBondContact CB-OE2 3.43Å
94K96Very high95Very high79 Ų7936.8 Ų36.834%0.34320%0.197SC..Hα-helixtrans-61.4-44.6176.9-164.3-176.7177.7-157.80112.4F40 I84 S90 T91 T92 V97 A98 Y144F40-K94 HydrophobicContact CD1-CG 4.06Å; F40-K94 HydrophobicContact CE1-CG 3.59Å; F40-K94 VanDerWaalsContact CE1-O 3.31Å; F40-K94 WeakPolarHBondContact CE1-O 3.33Å; F40-K94 HydrophobicContact CE2-CD 4.4Å; F40-K94 HydrophobicContact CE2-CG 4.16Å; F40-K94 HydrophobicContact CZ-CD 4.3Å; F40-K94 HydrophobicContact CZ-CG 3.64Å; I84-K94 HydrophobicContact CD1-CB 4.27Å; S90-K94 PolarHBondContact O-N 3.34Å; T91-K94 PolarHBondContact O-N 3.1Å; T92-K94 VanDerWaalsContact C-N 3.33Å; T92-K94 PolarHBondContact O-N 3.25Å; K94-V97 PolarHBondContact O-N 3.49Å; K94-A98 PolarHBondContact O-N 3.08Å; K94-A98 VanDerWaalsContact O-N 3.09Å; K94-Y144 VanDerWaalsContact CD-OH 3.28Å; K94-Y144 WeakPolarHBondContact CD-OH 3.06Å; K94-Y144 VanDerWaalsContact CE-OH 3.22Å; K94-Y144 WeakPolarHBondContact CE-OH 3.23Å; K94-Y144 WeakPolarHBondContact CG-OH 3.46Å; K94-Y144 PolarHBondContact NZ-OH 3.32Å
95Q97Very high95Very high4 Ų436 Ų362%0.01919%0.193CC..Hα-helixtrans-60.7-45.6174.2-177.2178.4-56.700111.6T91 T92 V97 A98 L99 Y144 V146 H519 M523T91-Q95 PolarHBondContact O-N 2.88Å; T92-Q95 PolarHBondContact O-N 3.39Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.42Å; Q95-A98 WeakPolarHBondContact O-CB 3.39Å; Q95-A98 PolarHBondContact O-N 2.93Å; Q95-A98 VanDerWaalsContact O-N 3.11Å; Q95-L99 HydrophobicContact CG-CD1 3.93Å; Q95-L99 HydrophobicContact CG-CG 4.45Å; Q95-L99 WeakPolarHBondContact O-CG 3.27Å; Q95-L99 PolarHBondContact O-N 3.28Å; Q95-Y144 HydrophobicContact CB-CD2 4.15Å; Q95-Y144 HydrophobicContact CB-CE2 4.29Å; Q95-Y144 HydrophobicContact CG-CD2 4.01Å; Q95-V146 HydrophobicContact CG-CG1 3.94Å; Q95-H519 PolarHBondContact OE1-NE2 3.24Å; Q95-M523 PolarHBondContact OE1-SD 3.39Å
96N95.2Very high95Very high69 Ų6934.6 Ų34.637%0.36919%0.185SC..Hα-helixtrans-63.5-38.5179.9-71.3-15.5000112.5T92 A93 A98 L99 V100T92-N96 WeakPolarHBondContact O-CB 3.37Å; T92-N96 PolarHBondContact O-N 2.88Å; T92-N96 PolarHBondContact O-ND2 3.11Å; A93-N96 PolarHBondContact O-N 2.88Å; N96-A98 VanDerWaalsContact C-N 3.33Å; N96-L99 PolarHBondContact O-N 2.94Å; N96-V100 WeakPolarHBondContact O-CB 3.47Å; N96-V100 VanDerWaalsContact O-CG2 3.27Å; N96-V100 WeakPolarHBondContact O-CG2 3.5Å; N96-V100 PolarHBondContact O-N 3.5Å
97V96.4Very high95.2Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-62.6-42.7173171.10000110.6F40 A41 I84 A93 K94 Q95 V101F40-V97 HydrophobicContact CD1-CB 4.25Å; F40-V97 HydrophobicContact CD1-CG1 3.78Å; F40-V97 HydrophobicContact CE1-CB 4.24Å; F40-V97 HydrophobicContact CE1-CG1 4.09Å; A41-V97 HydrophobicContact CB-CG1 3.99Å; I84-V97 HydrophobicContact CD1-CB 4.16Å; I84-V97 HydrophobicContact CD1-CG2 3.57Å; I84-V97 HydrophobicContact CG1-CB 4.12Å; I84-V97 HydrophobicContact CG1-CG1 4.24Å; I84-V97 HydrophobicContact CG1-CG2 3.83Å; A93-V97 WeakPolarHBondContact O-CG2 3.39Å; A93-V97 PolarHBondContact O-N 3.37Å; K94-V97 PolarHBondContact O-N 3.49Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.42Å; V97-V101 HydrophobicContact CG1-CG2 4.15Å; V97-V101 VanDerWaalsContact O-CB 3.32Å; V97-V101 WeakPolarHBondContact O-CB 3.33Å; V97-V101 WeakPolarHBondContact O-CG2 3.3Å; V97-V101 PolarHBondContact O-N 2.89Å
98A97.8Very high95.3Very high0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-61.2-48.317800000112.1F40 V44 K94 Q95 N96 A102 V137 F141 Y144F40-A98 HydrophobicContact CE1-CB 4.14Å; F40-A98 HydrophobicContact CZ-CB 4.12Å; V44-A98 HydrophobicContact CG2-CB 4.21Å; K94-A98 PolarHBondContact O-N 3.08Å; K94-A98 VanDerWaalsContact O-N 3.09Å; Q95-A98 WeakPolarHBondContact O-CB 3.39Å; Q95-A98 PolarHBondContact O-N 2.93Å; Q95-A98 VanDerWaalsContact O-N 3.11Å; N96-A98 VanDerWaalsContact C-N 3.33Å; A98-A102 VanDerWaalsContact O-CB 3.32Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.46Å; A98-V137 HydrophobicContact CB-CG1 4.24Å; A98-V137 HydrophobicContact CB-CG2 4.03Å; A98-V137 WeakPolarHBondContact O-CG2 3.39Å; A98-F141 HydrophobicContact CB-CD2 4.23Å; A98-F141 HydrophobicContact CB-CE2 4.08Å; A98-Y144 HydrophobicContact CB-CE2 4.26Å
99L97.4Very high95.3Very high16 Ų1617.2 Ų17.28%0.08410%0.095CC..Hα-helixtrans-62-52.2178.8-71.5167.4000111.6Q95 N96 V101 A102 H103 E133 L134 V137 V146Q95-L99 HydrophobicContact CG-CD1 3.93Å; Q95-L99 HydrophobicContact CG-CG 4.45Å; Q95-L99 WeakPolarHBondContact O-CG 3.27Å; Q95-L99 PolarHBondContact O-N 3.28Å; N96-L99 PolarHBondContact O-N 2.94Å; L99-V101 PolarHBondContact O-N 3.28Å; L99-A102 PolarHBondContact O-N 3.5Å; L99-H103 WeakPolarHBondContact O-CB 3.29Å; L99-H103 PolarHBondContact O-N 3.04Å; L99-E133 HydrophobicContact CD2-CG 4.03Å; L99-L134 HydrophobicContact CD2-CD2 3.91Å; L99-V137 HydrophobicContact CD2-CB 3.97Å; L99-V137 HydrophobicContact CD2-CG1 4.16Å; L99-V137 HydrophobicContact CD2-CG2 3.91Å; L99-V137 HydrophobicContact CG-CG1 4.48Å; L99-V137 HydrophobicContact CG-CG2 4.32Å; L99-V146 HydrophobicContact CD2-CB 4.42Å; L99-V146 HydrophobicContact CD2-CG1 4.32Å
100V96.2Very high95.2Very high33 Ų3316.6 Ų16.620%0.29%0.091CC..Hα-helixtrans-64.7-41-177.3171.90000111.4F77 Y81 N96 A102 H103 E104F77-V100 HydrophobicContact CD1-CG1 4.26Å; F77-V100 HydrophobicContact CE1-CG1 3.81Å; Y81-V100 HydrophobicContact CD1-CB 4.43Å; Y81-V100 HydrophobicContact CD1-CG1 4.38Å; Y81-V100 HydrophobicContact CD1-CG2 3.9Å; Y81-V100 HydrophobicContact CE1-CG2 4.27Å; Y81-V100 HydrophobicContact CG-CG1 4.14Å; Y81-V100 HydrophobicContact CG-CG2 4.47Å; N96-V100 WeakPolarHBondContact O-CB 3.47Å; N96-V100 VanDerWaalsContact O-CG2 3.27Å; N96-V100 WeakPolarHBondContact O-CG2 3.5Å; N96-V100 PolarHBondContact O-N 3.5Å; V100-A102 PolarHBondContact O-N 2.94Å; V100-H103 WeakPolarHBondContact O-CB 3.5Å; V100-H103 PolarHBondContact O-N 3.25Å; V100-E104 WeakPolarHBondContact O-CG 3.13Å; V100-E104 PolarHBondContact O-N 3.31Å; V100-E104 VanDerWaalsContact O-N 3.11Å
101V96.6Very high95Very high0 Ų015.9 Ų15.90%09%0.086CC..Hα-helixtrans-64-43.1175.4173.50000111.1A41 V44 A45 F77 V82 V97 L99 H103 E104 V105A41-V101 HydrophobicContact CB-CG2 4Å; V44-V101 HydrophobicContact CB-CB 4.33Å; V44-V101 HydrophobicContact CB-CG1 4.04Å; V44-V101 HydrophobicContact CG1-CB 3.83Å; V44-V101 HydrophobicContact CG1-CG1 3.74Å; A45-V101 HydrophobicContact CB-CG1 3.75Å; F77-V101 HydrophobicContact CE1-CG2 4.25Å; F77-V101 HydrophobicContact CE2-CG2 4.12Å; F77-V101 HydrophobicContact CZ-CB 4.31Å; F77-V101 HydrophobicContact CZ-CG2 3.7Å; V82-V101 HydrophobicContact CG1-CG2 4.19Å; V97-V101 HydrophobicContact CG1-CG2 4.15Å; V97-V101 VanDerWaalsContact O-CB 3.32Å; V97-V101 WeakPolarHBondContact O-CB 3.33Å; V97-V101 WeakPolarHBondContact O-CG2 3.3Å; V97-V101 PolarHBondContact O-N 2.89Å; L99-V101 PolarHBondContact O-N 3.28Å; V101-H103 VanDerWaalsContact C-N 3.34Å; V101-H103 PolarHBondContact O-N 3.46Å; V101-E104 PolarHBondContact O-N 3.26Å; V101-V105 HydrophobicContact CG1-CG2 4.34Å; V101-V105 VanDerWaalsContact O-CG2 3.24Å; V101-V105 WeakPolarHBondContact O-CG2 3.32Å; V101-V105 PolarHBondContact O-N 3.03Å
102A96.6Very high94.9Very high0 Ų014.9 Ų14.90%08%0.08CC..Hα-helixtrans-63.6-38.5176.700000112.5F52 A98 L99 V100 V105 S106 E133 A136 V137F52-A102 WeakPolarHBondContact CE2-O 3.46Å; A98-A102 VanDerWaalsContact O-CB 3.32Å; A98-A102 WeakPolarHBondContact O-CB 3.46Å; A98-A102 PolarHBondContact O-N 3.46Å; L99-A102 PolarHBondContact O-N 3.5Å; V100-A102 PolarHBondContact O-N 2.94Å; A102-V105 PolarHBondContact O-N 3.14Å; A102-S106 WeakPolarHBondContact O-CB 3.49Å; A102-S106 PolarHBondContact O-N 2.96Å; A102-E133 HydrophobicContact CB-CB 4.14Å; A102-A136 HydrophobicContact CB-CB 4.08Å; A102-V137 HydrophobicContact CB-CG2 3.87Å
103H96.5Very high94.7Very high14 Ų1413.1 Ų13.17%0.0657%0.069CC..Hα-helixtrans-54.9-55.8174.1-171.2102.6000111L99 V100 V101 V105 S106 H107 E126 A129 E133L99-H103 WeakPolarHBondContact O-CB 3.29Å; L99-H103 PolarHBondContact O-N 3.04Å; V100-H103 WeakPolarHBondContact O-CB 3.5Å; V100-H103 PolarHBondContact O-N 3.25Å; V101-H103 VanDerWaalsContact C-N 3.34Å; V101-H103 PolarHBondContact O-N 3.46Å; H103-V105 VanDerWaalsContact C-N 3.34Å; H103-V105 PolarHBondContact O-N 2.99Å; H103-S106 WeakPolarHBondContact O-CB 3.27Å; H103-S106 PolarHBondContact O-N 2.98Å; H103-S106 VanDerWaalsContact O-N 3.13Å; H103-S106 PolarHBondContact O-OG 3.04Å; H103-H107 AromaticContact CD2-CD2 3.85Å; H103-H107 AromaticContact CD2-NE2 3.47Å; H103-H107 PolarHBondContact CD2-NE2 3.38Å; H103-H107 AromaticContact NE2-NE2 3.29Å; H103-H107 PolarHBondContact NE2-NE2 2.86Å; H103-H107 PolarHBondContact O-N 3.48Å; H103-E126 IonicContact NE2-OE2 2.77Å; H103-A129 VanDerWaalsContact CE1-CB 3.45Å; H103-A129 WeakPolarHBondContact CE1-CB 3.17Å; H103-A129 WeakPolarHBondContact NE2-CB 3.4Å; H103-E133 HydrophobicContact CB-CB 4.06Å; H103-E133 WeakPolarHBondContact CB-OE2 3.29Å; H103-E133 IonicContact CE1-OE2 3.82Å; H103-E133 IonicContact CG-OE2 3.34Å; H103-E133 IonicContact ND1-OE2 2.92Å; H103-E133 PolarHBondContact ND1-OE2 3.44Å
104E94.9Very high94.7Very high19 Ų1912.6 Ų12.69%0.0896%0.064CC..Hα-helixtrans-66.3-35.9-177-60-60150.600112.8E70 I75 F77 V100 V101 S106 H107 M108E70-E104 PolarHBondContact N-OE2 2.99Å; E70-E104 VanDerWaalsContact N-OE2 3.12Å; I75-E104 HydrophobicContact CD1-CB 4.27Å; I75-E104 HydrophobicContact CG2-CB 3.61Å; I75-E104 HydrophobicContact CG2-CG 4.03Å; F77-E104 HydrophobicContact CE1-CG 3.79Å; F77-E104 HydrophobicContact CZ-CB 4.38Å; F77-E104 HydrophobicContact CZ-CG 4.08Å; V100-E104 WeakPolarHBondContact O-CG 3.13Å; V100-E104 PolarHBondContact O-N 3.31Å; V100-E104 VanDerWaalsContact O-N 3.11Å; V101-E104 PolarHBondContact O-N 3.26Å; E104-S106 VanDerWaalsContact C-N 3.31Å; E104-H107 WeakPolarHBondContact O-CB 3.42Å; E104-H107 PolarHBondContact O-N 3.38Å; E104-M108 WeakPolarHBondContact O-CE 3.25Å
105V94.5Very high94.6Very high1 Ų19.2 Ų9.21%0.0065%0.05CC..Hα-helixtrans-67.9-34.8175.7176.20000110.7A45 L49 F52 I75 V101 A102 H103 H107 M108A45-V105 HydrophobicContact CB-CG2 4.3Å; L49-V105 HydrophobicContact CB-CG1 4.28Å; L49-V105 HydrophobicContact CD1-CG1 3.8Å; F52-V105 HydrophobicContact CD2-CG1 3.9Å; F52-V105 HydrophobicContact CE2-CB 4.3Å; F52-V105 HydrophobicContact CE2-CG1 4.17Å; I75-V105 HydrophobicContact CD1-CG2 4.37Å; V101-V105 HydrophobicContact CG1-CG2 4.34Å; V101-V105 VanDerWaalsContact O-CG2 3.24Å; V101-V105 WeakPolarHBondContact O-CG2 3.32Å; V101-V105 PolarHBondContact O-N 3.03Å; A102-V105 PolarHBondContact O-N 3.14Å; H103-V105 VanDerWaalsContact C-N 3.34Å; H103-V105 PolarHBondContact O-N 2.99Å; V105-H107 PolarHBondContact O-N 3.26Å; V105-M108 VanDerWaalsContact O-CB 3.31Å; V105-M108 WeakPolarHBondContact O-CB 3.43Å; V105-M108 VanDerWaalsContact O-CG 3.24Å; V105-M108 WeakPolarHBondContact O-CG 3.25Å; V105-M108 PolarHBondContact O-N 2.86Å; V105-M108 VanDerWaalsContact O-N 3.14Å
106S94.3Very high94.6Very high0 Ų09.6 Ų9.60%05%0.052CC..Hα-helixtrans-61.9-30.1177.6840000112.6A102 H103 E104 M108 W109 F110 A129A102-S106 WeakPolarHBondContact O-CB 3.49Å; A102-S106 PolarHBondContact O-N 2.96Å; H103-S106 WeakPolarHBondContact O-CB 3.27Å; H103-S106 PolarHBondContact O-N 2.98Å; H103-S106 VanDerWaalsContact O-N 3.13Å; H103-S106 PolarHBondContact O-OG 3.04Å; E104-S106 VanDerWaalsContact C-N 3.31Å; S106-M108 PolarHBondContact O-N 3.38Å; S106-M108 VanDerWaalsContact O-N 3.13Å; S106-W109 PolarHBondContact O-N 3.12Å; S106-F110 PolarHBondContact O-N 3.47Å; S106-A129 VanDerWaalsContact OG-CA 3.28Å; S106-A129 WeakPolarHBondContact OG-CA 3.46Å; S106-A129 VanDerWaalsContact OG-CB 3.27Å; S106-A129 WeakPolarHBondContact OG-CB 3.42Å
107H94.5Very high94.6Very high0 Ų010.8 Ų10.80%05%0.054CC..THydrogen-bonded Turntrans-63.8-18.6178.6-78.4-45.7000114E70 H103 E104 V105 W109 F110 N112 K125 E126 A129E70-H107 HydrophobicContact CB-CB 3.32Å; E70-H107 VanDerWaalsContact CB-CD2 3.48Å; E70-H107 WeakPolarHBondContact CB-CD2 3.24Å; E70-H107 HydrophobicContact CG-CB 3.67Å; E70-H107 IonicContact OE2-CD2 3.48Å; H103-H107 AromaticContact CD2-CD2 3.85Å; H103-H107 AromaticContact CD2-NE2 3.47Å; H103-H107 PolarHBondContact CD2-NE2 3.38Å; H103-H107 AromaticContact NE2-NE2 3.29Å; H103-H107 PolarHBondContact NE2-NE2 2.86Å; H103-H107 PolarHBondContact O-N 3.48Å; E104-H107 WeakPolarHBondContact O-CB 3.42Å; E104-H107 PolarHBondContact O-N 3.38Å; V105-H107 PolarHBondContact O-N 3.26Å; H107-W109 PolarHBondContact O-N 3Å; H107-W109 VanDerWaalsContact O-N 3.11Å; H107-F110 WeakPolarHBondContact CA-O 3.31Å; H107-F110 PolarHBondContact ND1-O 3.13Å; H107-F110 CarbonylContact O-C 3.39Å; H107-F110 PolarHBondContact O-N 3.3Å; H107-N112 WeakPolarHBondContact O-CB 3.43Å; H107-N112 PolarHBondContact O-N 2.73Å; H107-K125 WeakPolarHBondContact CE1-CG 3.46Å; H107-K125 PolarHBondContact CE1-O 2.84Å; H107-K125 WeakPolarHBondContact ND1-CG 3.38Å; H107-E126 IonicContact NE2-OE2 3.6Å; H107-A129 WeakPolarHBondContact CE1-CB 3.45Å
108M92.1Very high94.6Very high3 Ų317.3 Ų17.32%0.0158%0.078CC..THydrogen-bonded Turntrans-57.1-26.1173.1-61.5-52.8108.100112.2Y60 E70 I75 E104 V105 S106 N112 L113Y60-M108 HydrophobicContact CD2-CB 3.83Å; Y60-M108 HydrophobicContact CD2-CG 4.07Å; Y60-M108 HydrophobicContact CE2-CB 3.65Å; Y60-M108 HydrophobicContact CE2-CG 3.51Å; Y60-M108 HydrophobicContact CE2-SD 3.62Å; E70-M108 HydrophobicContact CB-CE 4.39Å; E70-M108 WeakPolarHBondContact O-CE 3.41Å; I75-M108 HydrophobicContact CD1-CE 3.86Å; I75-M108 HydrophobicContact CG1-CE 4.07Å; E104-M108 WeakPolarHBondContact O-CE 3.25Å; V105-M108 VanDerWaalsContact O-CB 3.31Å; V105-M108 WeakPolarHBondContact O-CB 3.43Å; V105-M108 VanDerWaalsContact O-CG 3.24Å; V105-M108 WeakPolarHBondContact O-CG 3.25Å; V105-M108 PolarHBondContact O-N 2.86Å; V105-M108 VanDerWaalsContact O-N 3.14Å; S106-M108 PolarHBondContact O-N 3.38Å; S106-M108 VanDerWaalsContact O-N 3.13Å; M108-N112 WeakPolarHBondContact CE-ND2 3.47Å; M108-L113 WeakPolarHBondContact O-CB 3.37Å
109W92.6Very high94.5Very high3 Ų319.6 Ų19.61%0.0119%0.087CC..THydrogen-bonded Turntrans-99.2-54.7169.5-67.6-99000111.7L49 F52 E53 F56 M58 S106 H107 L113 A114 L286L49-W109 HydrophobicContact CD1-CH2 3.85Å; L49-W109 HydrophobicContact CD1-CZ3 4.07Å; L49-W109 HydrophobicContact CG-CH2 4.4Å; F52-W109 HydrophobicContact CB-CD2 4.38Å; F52-W109 HydrophobicContact CB-CE3 3.82Å; F52-W109 HydrophobicContact CB-CH2 3.6Å; F52-W109 HydrophobicContact CB-CZ2 4.17Å; F52-W109 HydrophobicContact CB-CZ3 3.4Å; F52-W109 VanDerWaalsContact CB-CZ3 3.4Å; F52-W109 HydrophobicContact CD2-CZ3 4.15Å; F52-W109 HydrophobicContact CG-CE3 4.39Å; F52-W109 HydrophobicContact CG-CZ3 4.13Å; E53-W109 HydrophobicContact CB-CZ2 4.48Å; E53-W109 HydrophobicContact CG-CH2 3.98Å; E53-W109 HydrophobicContact CG-CZ2 3.74Å; F56-W109 HydrophobicContact CD2-CB 4.08Å; F56-W109 AromaticContact CD2-CD1 3.54Å; F56-W109 AromaticContact CD2-CD2 3.59Å; F56-W109 HydrophobicContact CD2-CD2 3.59Å; F56-W109 AromaticContact CD2-CE2 3.78Å; F56-W109 HydrophobicContact CD2-CE3 4.25Å; F56-W109 AromaticContact CD2-CG 3.46Å; F56-W109 HydrophobicContact CD2-CG 3.46Å; F56-W109 VanDerWaalsContact CD2-CG 3.46Å; F56-W109 AromaticContact CD2-NE1 3.71Å; F56-W109 HydrophobicContact CE2-CB 3.95Å; F56-W109 AromaticContact CE2-CD2 3.87Å; F56-W109 HydrophobicContact CE2-CD2 3.87Å; F56-W109 HydrophobicContact CE2-CE3 4.17Å; F56-W109 AromaticContact CE2-CG 3.76Å; F56-W109 HydrophobicContact CE2-CG 3.76Å; F56-W109 AromaticContact CG-CD1 3.99Å; F56-W109 HydrophobicContact CG-CG 4.27Å; M58-W109 WeakPolarHBondContact O-CZ2 2.92Å; M58-W109 PolarHBondContact O-NE1 3Å; S106-W109 PolarHBondContact O-N 3.12Å; H107-W109 PolarHBondContact O-N 3Å; H107-W109 VanDerWaalsContact O-N 3.11Å; W109-L113 WeakPolarHBondContact O-CB 3.21Å; W109-L113 PolarHBondContact O-N 2.84Å; W109-A114 PolarHBondContact O-N 3.27Å; W109-A114 VanDerWaalsContact O-N 3.1Å; W109-L286 HydrophobicContact CB-CD1 4.12Å; W109-L286 HydrophobicContact CB-CD2 4.15Å; W109-L286 HydrophobicContact CG-CD1 4.43Å
110F92.6Very high94.4Very high1 Ų120.4 Ų20.40%0.0049%0.093CC..BIsolated β-bridgetrans-95.9103.6-176.4-76.5-91.1000112.5F56 S106 H107 F128 L132 I282 Y285 L286F56-F110 HydrophobicContact CE1-CD2 4.5Å; F56-F110 AromaticContact CE1-CE2 3.65Å; F56-F110 HydrophobicContact CE1-CE2 3.65Å; F56-F110 HydrophobicContact CZ-CD2 4.1Å; F56-F110 AromaticContact CZ-CE2 3.68Å; F56-F110 HydrophobicContact CZ-CE2 3.68Å; S106-F110 PolarHBondContact O-N 3.47Å; H107-F110 WeakPolarHBondContact CA-O 3.31Å; H107-F110 PolarHBondContact ND1-O 3.13Å; H107-F110 CarbonylContact O-C 3.39Å; H107-F110 PolarHBondContact O-N 3.3Å; F110-F128 HydrophobicContact CB-CB 4.18Å; F110-F128 HydrophobicContact CD1-CB 3.7Å; F110-F128 AromaticContact CD1-CD1 3.89Å; F110-F128 HydrophobicContact CD1-CD1 3.89Å; F110-F128 HydrophobicContact CD1-CD2 4.03Å; F110-F128 AromaticContact CD1-CG 3.59Å; F110-F128 HydrophobicContact CD1-CG 3.59Å; F110-F128 HydrophobicContact CD2-CB 4.44Å; F110-F128 HydrophobicContact CE1-CB 4.13Å; F110-F128 AromaticContact CE1-CD1 3.4Å; F110-F128 HydrophobicContact CE1-CD1 3.4Å; F110-F128 AromaticContact CE1-CD2 3.94Å; F110-F128 HydrophobicContact CE1-CD2 3.94Å; F110-F128 AromaticContact CE1-CE1 3.67Å; F110-F128 HydrophobicContact CE1-CE1 3.67Å; F110-F128 HydrophobicContact CE1-CE2 4.18Å; F110-F128 AromaticContact CE1-CG 3.53Å; F110-F128 HydrophobicContact CE1-CG 3.53Å; F110-F128 HydrophobicContact CE1-CZ 4.04Å; F110-F128 HydrophobicContact CE2-CD1 4.09Å; F110-F128 HydrophobicContact CG-CB 3.86Å; F110-F128 HydrophobicContact CG-CD1 4.41Å; F110-F128 HydrophobicContact CG-CG 4.18Å; F110-F128 AromaticContact CZ-CD1 3.49Å; F110-F128 HydrophobicContact CZ-CD1 3.49Å; F110-F128 VanDerWaalsContact CZ-CD1 3.49Å; F110-F128 AromaticContact CZ-CE1 3.72Å; F110-F128 HydrophobicContact CZ-CE1 3.72Å; F110-F128 HydrophobicContact CZ-CG 4.08Å; F110-F128 HydrophobicContact CZ-CZ 4.47Å; F110-L132 HydrophobicContact CD2-CD1 3.51Å; F110-L132 HydrophobicContact CE2-CD1 3.82Å; F110-L132 HydrophobicContact CG-CD1 4.33Å; F110-I282 HydrophobicContact CE2-CG2 4.14Å; F110-I282 HydrophobicContact CZ-CD1 4.42Å; F110-I282 HydrophobicContact CZ-CG2 3.69Å; F110-Y285 HydrophobicContact CE1-CD1 4.27Å; F110-Y285 HydrophobicContact CE1-CE1 4.04Å; F110-L286 HydrophobicContact CD2-CD2 4.25Å; F110-L286 HydrophobicContact CE1-CD2 4.34Å; F110-L286 HydrophobicContact CE2-CD1 3.89Å; F110-L286 HydrophobicContact CE2-CD2 4.05Å; F110-L286 HydrophobicContact CE2-CG 4.26Å; F110-L286 HydrophobicContact CZ-CD1 4.27Å; F110-L286 HydrophobicContact CZ-CD2 4.11Å; F110-L286 HydrophobicContact CZ-CG 4.24Å
111G91.2Very high94.4Very high2 Ų219.4 Ų19.42%0.0219%0.086CC..THydrogen-bonded Turntrans116-36.6-176.600000112Y4 A114 T115Y4-G111 PolarHBondContact OH-O 2.86Å; G111-A114 WeakPolarHBondContact CA-O 3.44Å; G111-A114 PolarHBondContact N-O 2.57Å; G111-T115 WeakPolarHBondContact O-CB 3.43Å; G111-T115 PolarHBondContact O-OG1 3.08Å
112N91.5Very high94.3Very high2 Ų219.5 Ų19.51%0.0119%0.087CC..THydrogen-bonded Turntrans-96.5-61.9178.5-65.71.9000112.3L5 E70 W72 H107 M108L5-N112 HydrophobicContact CD1-CB 4.18Å; L5-N112 VanDerWaalsContact CD1-OD1 3.24Å; L5-N112 WeakPolarHBondContact CD1-OD1 3.2Å; L5-N112 WeakPolarHBondContact CD2-OD1 3.25Å; E70-N112 PolarHBondContact O-ND2 2.65Å; E70-N112 PolarHBondContact O-OD1 2.83Å; W72-N112 HydrophobicContact CD2-CB 3.67Å; W72-N112 HydrophobicContact CE3-CB 3.76Å; W72-N112 HydrophobicContact CG-CB 4.08Å; W72-N112 HydrophobicContact CH2-CB 4.38Å; W72-N112 HydrophobicContact CZ2-CB 4.3Å; W72-N112 HydrophobicContact CZ3-CB 4.12Å; W72-N112 WeakPolarHBondContact CZ3-O 3.36Å; H107-N112 WeakPolarHBondContact O-CB 3.43Å; H107-N112 PolarHBondContact O-N 2.73Å; M108-N112 WeakPolarHBondContact CE-ND2 3.47Å
113L91.2Very high94.3Very high15 Ų1519.5 Ų19.58%0.0799%0.087CC..THydrogen-bonded Turntrans-71.2-51.6-178.4-176.363.6000111.2M58 W72 M108 W109 A290 F291M58-L113 HydrophobicContact CE-CD2 3.42Å; M58-L113 VanDerWaalsContact CE-CD2 3.42Å; M58-L113 HydrophobicContact SD-CD2 4.45Å; W72-L113 HydrophobicContact CH2-CB 4.27Å; W72-L113 HydrophobicContact CH2-CD1 4.1Å; W72-L113 HydrophobicContact CZ2-CB 4.37Å; W72-L113 HydrophobicContact CZ2-CD1 4.36Å; M108-L113 WeakPolarHBondContact O-CB 3.37Å; W109-L113 WeakPolarHBondContact O-CB 3.21Å; W109-L113 PolarHBondContact O-N 2.84Å; L113-A290 HydrophobicContact CD1-CB 3.97Å; L113-A290 HydrophobicContact CG-CB 4.15Å; L113-F291 HydrophobicContact CD1-CD1 3.99Å; L113-F291 HydrophobicContact CD1-CD2 4.07Å; L113-F291 HydrophobicContact CD1-CE1 3.73Å; L113-F291 HydrophobicContact CD1-CE2 3.82Å; L113-F291 HydrophobicContact CD1-CG 4.16Å; L113-F291 HydrophobicContact CD1-CZ 3.64Å; L113-F291 WeakPolarHBondContact O-CA 3.32Å; L113-F291 PolarHBondContact O-N 2.83Å
114A92.7Very high94.2Very high4 Ų419.1 Ų19.13%0.0339%0.085CC..EExtended strand (participates in β ladder)trans-109.211316700000108.3W109 G111 Y285 L286W109-A114 PolarHBondContact O-N 3.27Å; W109-A114 VanDerWaalsContact O-N 3.1Å; G111-A114 WeakPolarHBondContact CA-O 3.44Å; G111-A114 PolarHBondContact N-O 2.57Å; A114-Y285 HydrophobicContact CB-CE1 4.1Å; A114-L286 HydrophobicContact CB-CD2 4.09Å
115T94.9Very high94.2Very high8 Ų818.3 Ų18.35%0.0498%0.082CC..EExtended strand (participates in β ladder)trans-99.5148.3177.7-50.80000110.3S2 Y4 G111 S292 N293 A294S2-T115 PolarHBondContact OG-OG1 2.93Å; Y4-T115 HydrophobicContact CE1-CG2 3.95Å; G111-T115 WeakPolarHBondContact O-CB 3.43Å; G111-T115 PolarHBondContact O-OG1 3.08Å; T115-S292 PolarHBondContact N-O 3.46Å; T115-N293 CarbonylContact O-C 3.48Å; T115-N293 WeakPolarHBondContact O-CA 3.1Å; T115-A294 PolarHBondContact O-N 2.91Å
116M96.1Very high94.2Very high11 Ų1118.4 Ų18.45%0.0548%0.082CC..EExtended strand (participates in β ladder)trans-58.5146.7169.164.2-74.1-174.900112.4W118 W119 D121 L122 K125 N293 A294M116-W118 VanDerWaalsContact C-N 3.32Å; M116-W118 VanDerWaalsContact CG-O 3.3Å; M116-W118 WeakPolarHBondContact CG-O 3.42Å; M116-W119 HydrophobicContact CE-CD2 4.1Å; M116-W119 HydrophobicContact CE-CE3 3.39Å; M116-W119 HydrophobicContact CE-CH2 3.91Å; M116-W119 HydrophobicContact CE-CZ3 3.27Å; M116-D121 HydrophobicContact CB-CB 3.92Å; M116-L122 HydrophobicContact CE-CD1 4.12Å; M116-K125 HydrophobicContact SD-CB 4.21Å; M116-K125 HydrophobicContact SD-CD 4.48Å; M116-N293 PolarHBondContact O-ND2 2.94Å; M116-N293 VanDerWaalsContact O-ND2 3.13Å; M116-A294 CarbonylContact C-O 3.57Å; M116-A294 VanDerWaalsContact CA-O 3.24Å; M116-A294 WeakPolarHBondContact CA-O 3.37Å
117K96.3Very high94.3Very high94 Ų9418.4 Ų18.441%0.4098%0.082SC..SBendtrans-63-39.2174.2-78177-166.6158.50112N293 A294 D295 D298K117-N293 HydrophobicContact CB-CB 4.37Å; K117-N293 HydrophobicContact CG-CB 3.68Å; K117-A294 PolarHBondContact N-O 2.8Å; K117-D295 HydrophobicContact CD-CB 4.07Å; K117-D295 WeakPolarHBondContact CD-OD2 3.49Å; K117-D295 IonicContact NZ-OD1 3.47Å; K117-D295 IonicContact NZ-OD2 3.28Å; K117-D295 PolarHBondContact NZ-OD2 3.43Å; K117-D298 WeakPolarHBondContact CE-OD2 3.33Å; K117-D298 IonicContact NZ-OD1 2.76Å; K117-D298 IonicContact NZ-OD2 3.99Å; K117-D298 PolarHBondContact NZ-OD2 3.02Å
118W96.2Very high94.4Very high137 Ų13718.5 Ų18.552%0.5198%0.082SC..SBendtrans-150.5163.4177.6-168.4-122.6000111.2M116 T120 D121 I174M116-W118 VanDerWaalsContact C-N 3.32Å; M116-W118 VanDerWaalsContact CG-O 3.3Å; M116-W118 WeakPolarHBondContact CG-O 3.42Å; W118-T120 PolarHBondContact O-N 2.98Å; W118-T120 VanDerWaalsContact O-N 3.07Å; W118-D121 PolarHBondContact O-N 3.36Å; W118-I174 HydrophobicContact CZ2-CG2 4.36Å
119W95Very high94.6Very high49 Ų4918.3 Ų18.319%0.1868%0.081CC..G310 helixtrans-62.3-13.4-179.1-61.1104.1000114.6Y4 M116 D121 L122 I174 I180 Y184Y4-W119 HydrophobicContact CD1-CH2 4.3Å; Y4-W119 HydrophobicContact CG-CH2 4.23Å; M116-W119 HydrophobicContact CE-CD2 4.1Å; M116-W119 HydrophobicContact CE-CE3 3.39Å; M116-W119 HydrophobicContact CE-CH2 3.91Å; M116-W119 HydrophobicContact CE-CZ3 3.27Å; W119-D121 PolarHBondContact O-N 3.22Å; W119-L122 HydrophobicContact CE3-CD1 4.07Å; W119-L122 HydrophobicContact CZ3-CD1 4.08Å; W119-L122 WeakPolarHBondContact O-CB 3.48Å; W119-L122 PolarHBondContact O-N 3.21Å; W119-I174 HydrophobicContact CB-CB 4.3Å; W119-I174 HydrophobicContact CB-CG1 3.73Å; W119-I174 HydrophobicContact CB-CG2 4.25Å; W119-I180 HydrophobicContact CB-CD1 4.45Å; W119-I180 HydrophobicContact CB-CG1 4.08Å; W119-I180 HydrophobicContact CD2-CD1 4.04Å; W119-I180 HydrophobicContact CD2-CG1 4.32Å; W119-I180 HydrophobicContact CD2-CG2 3.79Å; W119-I180 HydrophobicContact CE3-CG2 3.68Å; W119-I180 HydrophobicContact CG-CD1 3.76Å; W119-I180 HydrophobicContact CG-CG1 3.89Å; W119-I180 HydrophobicContact CG-CG2 4.18Å; W119-I180 HydrophobicContact CZ3-CG2 4.2Å; W119-Y184 WeakPolarHBondContact CZ3-OH 3.38Å
120T95.2Very high94.8Very high32 Ų3218.2 Ų18.220%0.1968%0.081CC..G310 helixtrans-56.6-33.5167.8-57.80000111.5W118 E171 Q172W118-T120 PolarHBondContact O-N 2.98Å; W118-T120 VanDerWaalsContact O-N 3.07Å; T120-E171 HydrophobicContact CG2-CB 4.14Å; T120-Q172 WeakPolarHBondContact CA-O 3.29Å
121D96Very high94.9Very high13 Ų1318.2 Ų18.27%0.078%0.081CC..G310 helixtrans-101.926.6-178.9-64.1-70.2000112.4M116 W118 W119 W123 L124 A296M116-D121 HydrophobicContact CB-CB 3.92Å; W118-D121 PolarHBondContact O-N 3.36Å; W119-D121 PolarHBondContact O-N 3.22Å; D121-W123 PolarHBondContact O-N 3.3Å; D121-L124 HydrophobicContact CB-CD1 3.83Å; D121-L124 HydrophobicContact CB-CG 4.17Å; D121-L124 WeakPolarHBondContact O-CB 3.37Å; D121-L124 PolarHBondContact O-N 3.06Å; D121-A296 WeakPolarHBondContact OD1-CB 3.48Å; D121-A296 PolarHBondContact OD1-N 3.18Å
122L95.1Very high95.1Very high2 Ų218.1 Ų18.11%0.018%0.08CC..THydrogen-bonded Turntrans-50.4-32.1177.817562.3000112.7M116 W119 L124 K125 E126 N183 Y184M116-L122 HydrophobicContact CE-CD1 4.12Å; W119-L122 HydrophobicContact CE3-CD1 4.07Å; W119-L122 HydrophobicContact CZ3-CD1 4.08Å; W119-L122 WeakPolarHBondContact O-CB 3.48Å; W119-L122 PolarHBondContact O-N 3.21Å; L122-L124 PolarHBondContact O-N 2.83Å; L122-K125 WeakPolarHBondContact O-CB 3.31Å; L122-K125 PolarHBondContact O-N 3.39Å; L122-E126 HydrophobicContact CD1-CG 3.69Å; L122-E126 HydrophobicContact CD2-CG 4.41Å; L122-E126 HydrophobicContact CG-CG 3.78Å; L122-E126 PolarHBondContact O-N 2.92Å; L122-N183 HydrophobicContact CD2-CB 4.4Å; L122-Y184 HydrophobicContact CD1-CE1 3.85Å; L122-Y184 HydrophobicContact CD2-CD1 3.91Å; L122-Y184 HydrophobicContact CD2-CD2 4.19Å; L122-Y184 HydrophobicContact CD2-CE1 3.84Å; L122-Y184 HydrophobicContact CD2-CE2 4.1Å; L122-Y184 HydrophobicContact CD2-CG 4.11Å; L122-Y184 HydrophobicContact CG-CE1 4.37Å
123W96Very high95.4Very high0 Ų018.8 Ų18.80%08%0.083CC..Hα-helixtrans-61.8-24.917879.8-83.2000113.9D121 K125 G127 F128 I170 V196 A296 L299 W300 T319D121-W123 PolarHBondContact O-N 3.3Å; W123-K125 PolarHBondContact O-N 2.83Å; W123-G127 VanDerWaalsContact O-CA 3.27Å; W123-G127 WeakPolarHBondContact O-CA 3.49Å; W123-G127 PolarHBondContact O-N 3.22Å; W123-F128 HydrophobicContact CH2-CE2 4.32Å; W123-F128 HydrophobicContact CZ3-CD2 4.46Å; W123-F128 HydrophobicContact CZ3-CE2 4.03Å; W123-F128 PolarHBondContact O-N 3.13Å; W123-I170 HydrophobicContact CB-CG2 3.38Å; W123-I170 VanDerWaalsContact CD1-CG2 3.43Å; W123-I170 HydrophobicContact CD2-CG2 3.71Å; W123-I170 HydrophobicContact CE3-CG2 4.43Å; W123-I170 HydrophobicContact CG-CG2 3.17Å; W123-V196 HydrophobicContact CZ3-CG2 3.83Å; W123-A296 HydrophobicContact CZ2-CB 3.91Å; W123-L299 HydrophobicContact CH2-CD2 3.9Å; W123-W300 AromaticContact CH2-CH2 3.28Å; W123-W300 HydrophobicContact CH2-CH2 3.28Å; W123-W300 AromaticContact CH2-CZ2 3.2Å; W123-W300 HydrophobicContact CH2-CZ2 3.2Å; W123-W300 HydrophobicContact CH2-CZ3 4.38Å; W123-W300 HydrophobicContact CZ2-CH2 4.03Å; W123-W300 AromaticContact CZ2-CZ2 3.45Å; W123-W300 HydrophobicContact CZ2-CZ2 3.45Å; W123-W300 VanDerWaalsContact CZ2-CZ2 3.45Å; W123-W300 HydrophobicContact CZ3-CH2 4.12Å; W123-W300 HydrophobicContact CZ3-CZ2 4.28Å; W123-T319 HydrophobicContact CZ2-CG2 4.35Å
124L96.3Very high95.6Very high5 Ų518.2 Ų18.23%0.0268%0.08CC..Hα-helixtrans-62.8-24.4173.2-70.3178.5000112.1D121 L122 F128 L299D121-L124 HydrophobicContact CB-CD1 3.83Å; D121-L124 HydrophobicContact CB-CG 4.17Å; D121-L124 WeakPolarHBondContact O-CB 3.37Å; D121-L124 PolarHBondContact O-N 3.06Å; L122-L124 PolarHBondContact O-N 2.83Å; L124-F128 HydrophobicContact CD2-CE2 4.18Å; L124-F128 WeakPolarHBondContact O-CD2 3.47Å; L124-L299 HydrophobicContact CD2-CB 4.43Å; L124-L299 HydrophobicContact CD2-CD2 3.64Å
125K94Very high95.6Very high3 Ų319.7 Ų19.71%0.0139%0.086CC..Hα-helixtrans-90.4-65.1172.5175.1175.8179.9-91.40110.1E70 H107 M116 L122 W123 A129E70-K125 WeakPolarHBondContact OE1-CE 3.4Å; E70-K125 IonicContact OE1-NZ 2.61Å; E70-K125 PolarHBondContact OE1-NZ 2.74Å; E70-K125 IonicContact OE2-NZ 3.72Å; E70-K125 PolarHBondContact OE2-NZ 3.39Å; E70-K125 VanDerWaalsContact OE2-NZ 3.08Å; H107-K125 WeakPolarHBondContact CE1-CG 3.46Å; H107-K125 PolarHBondContact CE1-O 2.84Å; H107-K125 WeakPolarHBondContact ND1-CG 3.38Å; M116-K125 HydrophobicContact SD-CB 4.21Å; M116-K125 HydrophobicContact SD-CD 4.48Å; L122-K125 WeakPolarHBondContact O-CB 3.31Å; L122-K125 PolarHBondContact O-N 3.39Å; W123-K125 PolarHBondContact O-N 2.83Å; K125-A129 WeakPolarHBondContact O-CB 3.26Å; K125-A129 PolarHBondContact O-N 3.21Å
126E95.2Very high95.6Very high3 Ų319.3 Ų19.31%0.0148%0.084CC..Hα-helixtrans-72-40-168.4-56-55.6145.600113.3H103 H107 L122 A129 T130 Y184 Y189H103-E126 IonicContact NE2-OE2 2.77Å; H107-E126 IonicContact NE2-OE2 3.6Å; L122-E126 HydrophobicContact CD1-CG 3.69Å; L122-E126 HydrophobicContact CD2-CG 4.41Å; L122-E126 HydrophobicContact CG-CG 3.78Å; L122-E126 PolarHBondContact O-N 2.92Å; E126-A129 PolarHBondContact O-N 3.08Å; E126-T130 VanDerWaalsContact O-CB 3.31Å; E126-T130 WeakPolarHBondContact O-CB 3.4Å; E126-T130 PolarHBondContact O-N 2.76Å; E126-T130 PolarHBondContact O-OG1 3.29Å; E126-Y184 HydrophobicContact CG-CD1 4.37Å; E126-Y184 HydrophobicContact CG-CE1 4.11Å; E126-Y189 HydrophobicContact CB-CD1 3.94Å; E126-Y189 HydrophobicContact CB-CD2 4.16Å; E126-Y189 HydrophobicContact CB-CE1 3.89Å; E126-Y189 HydrophobicContact CB-CE2 4.18Å; E126-Y189 HydrophobicContact CB-CG 4.05Å; E126-Y189 HydrophobicContact CG-CE1 4.13Å; E126-Y189 HydrophobicContact CG-CE2 4.08Å; E126-Y189 WeakPolarHBondContact OE2-CE1 3.27Å; E126-Y189 PolarHBondContact OE2-OH 2.91Å
127G96.2Very high95.7Very high0 Ų018.8 Ų18.80%08%0.081CC..Hα-helixtrans-69.6-38.8179.800000112.2W123 W131 S188 A193W123-G127 VanDerWaalsContact O-CA 3.27Å; W123-G127 WeakPolarHBondContact O-CA 3.49Å; W123-G127 PolarHBondContact O-N 3.22Å; G127-W131 PolarHBondContact O-N 2.81Å; G127-W131 VanDerWaalsContact O-N 3.12Å; G127-S188 WeakPolarHBondContact CA-O 3.24Å; G127-S188 PolarHBondContact N-O 3.11Å; G127-A193 WeakPolarHBondContact O-CA 3.49Å; G127-A193 WeakPolarHBondContact O-CB 3.08Å
128F96.1Very high95.6Very high1 Ų116.8 Ų16.80%0.0048%0.075CC..Hα-helixtrans-67.4-44.7172.8-90.1-86.6000112F110 W123 L124 T130 W131 L132 V196 F278 I282 L299F110-F128 HydrophobicContact CB-CB 4.18Å; F110-F128 HydrophobicContact CD1-CB 3.7Å; F110-F128 AromaticContact CD1-CD1 3.89Å; F110-F128 HydrophobicContact CD1-CD1 3.89Å; F110-F128 HydrophobicContact CD1-CD2 4.03Å; F110-F128 AromaticContact CD1-CG 3.59Å; F110-F128 HydrophobicContact CD1-CG 3.59Å; F110-F128 HydrophobicContact CD2-CB 4.44Å; F110-F128 HydrophobicContact CE1-CB 4.13Å; F110-F128 AromaticContact CE1-CD1 3.4Å; F110-F128 HydrophobicContact CE1-CD1 3.4Å; F110-F128 AromaticContact CE1-CD2 3.94Å; F110-F128 HydrophobicContact CE1-CD2 3.94Å; F110-F128 AromaticContact CE1-CE1 3.67Å; F110-F128 HydrophobicContact CE1-CE1 3.67Å; F110-F128 HydrophobicContact CE1-CE2 4.18Å; F110-F128 AromaticContact CE1-CG 3.53Å; F110-F128 HydrophobicContact CE1-CG 3.53Å; F110-F128 HydrophobicContact CE1-CZ 4.04Å; F110-F128 HydrophobicContact CE2-CD1 4.09Å; F110-F128 HydrophobicContact CG-CB 3.86Å; F110-F128 HydrophobicContact CG-CD1 4.41Å; F110-F128 HydrophobicContact CG-CG 4.18Å; F110-F128 AromaticContact CZ-CD1 3.49Å; F110-F128 HydrophobicContact CZ-CD1 3.49Å; F110-F128 VanDerWaalsContact CZ-CD1 3.49Å; F110-F128 AromaticContact CZ-CE1 3.72Å; F110-F128 HydrophobicContact CZ-CE1 3.72Å; F110-F128 HydrophobicContact CZ-CG 4.08Å; F110-F128 HydrophobicContact CZ-CZ 4.47Å; W123-F128 HydrophobicContact CH2-CE2 4.32Å; W123-F128 HydrophobicContact CZ3-CD2 4.46Å; W123-F128 HydrophobicContact CZ3-CE2 4.03Å; W123-F128 PolarHBondContact O-N 3.13Å; L124-F128 HydrophobicContact CD2-CE2 4.18Å; L124-F128 WeakPolarHBondContact O-CD2 3.47Å; F128-T130 VanDerWaalsContact C-N 3.33Å; F128-T130 PolarHBondContact O-N 3.33Å; F128-W131 HydrophobicContact CD1-CE3 4.3Å; F128-W131 PolarHBondContact O-N 3.33Å; F128-W131 VanDerWaalsContact O-N 3.14Å; F128-L132 HydrophobicContact CB-CD1 4.45Å; F128-L132 VanDerWaalsContact O-CB 3.27Å; F128-L132 WeakPolarHBondContact O-CB 3.41Å; F128-L132 VanDerWaalsContact O-CG 3.25Å; F128-L132 WeakPolarHBondContact O-CG 3.41Å; F128-L132 PolarHBondContact O-N 2.88Å; F128-V196 HydrophobicContact CD1-CG1 4.37Å; F128-V196 HydrophobicContact CD2-CG2 4.15Å; F128-V196 HydrophobicContact CE1-CG1 3.99Å; F128-V196 HydrophobicContact CE1-CG2 4.34Å; F128-V196 HydrophobicContact CE2-CG2 3.88Å; F128-V196 HydrophobicContact CZ-CG1 4.3Å; F128-V196 HydrophobicContact CZ-CG2 3.99Å; F128-F278 HydrophobicContact CE1-CZ 4.37Å; F128-I282 HydrophobicContact CE1-CD1 3.56Å; F128-I282 HydrophobicContact CE1-CG1 4.45Å; F128-I282 HydrophobicContact CZ-CD1 3.78Å; F128-L299 HydrophobicContact CE2-CD2 3.64Å; F128-L299 HydrophobicContact CZ-CD1 4.42Å; F128-L299 HydrophobicContact CZ-CD2 3.72Å
129A96.3Very high95.4Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-61.8-42178.200000112.3H103 S106 H107 K125 E126 W131 L132 E133H103-A129 VanDerWaalsContact CE1-CB 3.45Å; H103-A129 WeakPolarHBondContact CE1-CB 3.17Å; H103-A129 WeakPolarHBondContact NE2-CB 3.4Å; S106-A129 VanDerWaalsContact OG-CA 3.28Å; S106-A129 WeakPolarHBondContact OG-CA 3.46Å; S106-A129 VanDerWaalsContact OG-CB 3.27Å; S106-A129 WeakPolarHBondContact OG-CB 3.42Å; H107-A129 WeakPolarHBondContact CE1-CB 3.45Å; K125-A129 WeakPolarHBondContact O-CB 3.26Å; K125-A129 PolarHBondContact O-N 3.21Å; E126-A129 PolarHBondContact O-N 3.08Å; A129-W131 VanDerWaalsContact C-N 3.29Å; A129-W131 PolarHBondContact O-N 2.89Å; A129-L132 PolarHBondContact O-N 3.4Å; A129-E133 WeakPolarHBondContact O-CB 3.35Å; A129-E133 PolarHBondContact O-N 3.31Å
130T96.5Very high95.4Very high1 Ų113.4 Ų13.41%0.0067%0.068CC..Hα-helixtrans-62-32.9174-55.80000112.9E126 F128 E133 L134 H154 Y189 A193E126-T130 VanDerWaalsContact O-CB 3.31Å; E126-T130 WeakPolarHBondContact O-CB 3.4Å; E126-T130 PolarHBondContact O-N 2.76Å; E126-T130 PolarHBondContact O-OG1 3.29Å; F128-T130 VanDerWaalsContact C-N 3.33Å; F128-T130 PolarHBondContact O-N 3.33Å; T130-E133 WeakPolarHBondContact O-CG 3.42Å; T130-L134 VanDerWaalsContact O-CD1 3.3Å; T130-L134 WeakPolarHBondContact O-CD1 3.44Å; T130-H154 WeakPolarHBondContact CG2-CE1 3.28Å; T130-H154 WeakPolarHBondContact CG2-ND1 3.37Å; T130-Y189 WeakPolarHBondContact OG1-CD1 3.31Å; T130-A193 HydrophobicContact CG2-CB 3.74Å
131W95.6Very high95.4Very high0 Ų012.5 Ų12.50%06%0.061CC..Hα-helixtrans-80.5-37.5175.4171.482.9000112.1Y55 G127 F128 A129 L134 K135 W147 A193 V196 E200 F278Y55-W131 HydrophobicContact CE1-CH2 4.4Å; Y55-W131 WeakPolarHBondContact OH-CH2 3.43Å; G127-W131 PolarHBondContact O-N 2.81Å; G127-W131 VanDerWaalsContact O-N 3.12Å; F128-W131 HydrophobicContact CD1-CE3 4.3Å; F128-W131 PolarHBondContact O-N 3.33Å; F128-W131 VanDerWaalsContact O-N 3.14Å; A129-W131 VanDerWaalsContact C-N 3.29Å; A129-W131 PolarHBondContact O-N 2.89Å; W131-L134 PolarHBondContact O-N 3.09Å; W131-K135 VanDerWaalsContact CE2-CE 3.42Å; W131-K135 HydrophobicContact CH2-CG 4.45Å; W131-K135 HydrophobicContact CZ2-CD 4.31Å; W131-K135 HydrophobicContact CZ2-CG 4.14Å; W131-K135 PolarHBondContact O-N 3.29Å; W131-W147 AromaticContact NE1-CH2 3.71Å; W131-A193 HydrophobicContact CB-CB 4.01Å; W131-V196 HydrophobicContact CB-CG1 4.39Å; W131-V196 HydrophobicContact CD2-CG1 3.7Å; W131-V196 HydrophobicContact CE3-CG1 3.93Å; W131-V196 HydrophobicContact CG-CB 4.43Å; W131-V196 HydrophobicContact CG-CG1 3.89Å; W131-E200 WeakPolarHBondContact CZ2-OE2 3.37Å; W131-E200 PolarHBondContact NE1-OE2 3.2Å; W131-F278 HydrophobicContact CH2-CD1 4.44Å; W131-F278 AromaticContact CH2-CE1 3.54Å; W131-F278 HydrophobicContact CH2-CE1 3.54Å; W131-F278 HydrophobicContact CH2-CZ 4.31Å; W131-F278 AromaticContact CZ2-CE1 3.88Å; W131-F278 HydrophobicContact CZ2-CE1 3.88Å; W131-F278 HydrophobicContact CZ3-CE1 4.17Å
132L95.4Very high95.2Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-71.5-36.2-179-77.3167.9000113.1F52 F56 F110 F128 A129 L134 K135 A136F52-L132 HydrophobicContact CD1-CD2 4.35Å; F52-L132 HydrophobicContact CE1-CB 3.78Å; F52-L132 HydrophobicContact CE1-CD2 3.95Å; F52-L132 HydrophobicContact CE1-CG 4.33Å; F52-L132 HydrophobicContact CZ-CB 4.11Å; F56-L132 HydrophobicContact CE1-CD2 4.17Å; F56-L132 HydrophobicContact CZ-CD1 3.72Å; F56-L132 HydrophobicContact CZ-CD2 3.59Å; F56-L132 HydrophobicContact CZ-CG 4.32Å; F110-L132 HydrophobicContact CD2-CD1 3.51Å; F110-L132 HydrophobicContact CE2-CD1 3.82Å; F110-L132 HydrophobicContact CG-CD1 4.33Å; F128-L132 HydrophobicContact CB-CD1 4.45Å; F128-L132 VanDerWaalsContact O-CB 3.27Å; F128-L132 WeakPolarHBondContact O-CB 3.41Å; F128-L132 VanDerWaalsContact O-CG 3.25Å; F128-L132 WeakPolarHBondContact O-CG 3.41Å; F128-L132 PolarHBondContact O-N 2.88Å; A129-L132 PolarHBondContact O-N 3.4Å; L132-L134 PolarHBondContact O-N 2.83Å; L132-K135 PolarHBondContact O-N 2.99Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 3.41Å
133E96.7Very high95.1Very high16 Ų1620 Ų208%0.07510%0.101CC..Hα-helixtrans-56.7-39.5175.774.9-175.8-13300110.8L99 A102 H103 A129 T130 A136 V137L99-E133 HydrophobicContact CD2-CG 4.03Å; A102-E133 HydrophobicContact CB-CB 4.14Å; H103-E133 HydrophobicContact CB-CB 4.06Å; H103-E133 WeakPolarHBondContact CB-OE2 3.29Å; H103-E133 IonicContact CE1-OE2 3.82Å; H103-E133 IonicContact CG-OE2 3.34Å; H103-E133 IonicContact ND1-OE2 2.92Å; H103-E133 PolarHBondContact ND1-OE2 3.44Å; A129-E133 WeakPolarHBondContact O-CB 3.35Å; A129-E133 PolarHBondContact O-N 3.31Å; T130-E133 WeakPolarHBondContact O-CG 3.42Å; E133-A136 PolarHBondContact O-N 3.06Å; E133-V137 WeakPolarHBondContact O-CB 3.46Å; E133-V137 VanDerWaalsContact O-CG2 3.29Å; E133-V137 WeakPolarHBondContact O-CG2 3.49Å; E133-V137 PolarHBondContact O-N 3.32Å
134L95.3Very high95Very high4 Ų420.2 Ų20.22%0.02110%0.102CC..Hα-helixtrans-70.9-42.2-178.4-63.4161.4000110.7L99 T130 W131 L132 N138 V146 W147 F150L99-L134 HydrophobicContact CD2-CD2 3.91Å; T130-L134 VanDerWaalsContact O-CD1 3.3Å; T130-L134 WeakPolarHBondContact O-CD1 3.44Å; W131-L134 PolarHBondContact O-N 3.09Å; L132-L134 PolarHBondContact O-N 2.83Å; L134-N138 WeakPolarHBondContact O-CB 3.29Å; L134-N138 PolarHBondContact O-N 3.37Å; L134-V146 HydrophobicContact CD2-CB 4.14Å; L134-V146 HydrophobicContact CD2-CG2 4.36Å; L134-W147 HydrophobicContact CB-CE3 4.02Å; L134-W147 HydrophobicContact CB-CZ3 4.19Å; L134-F150 HydrophobicContact CD1-CB 3.89Å; L134-F150 HydrophobicContact CD1-CD2 3.15Å; L134-F150 HydrophobicContact CD1-CE2 3.82Å; L134-F150 HydrophobicContact CD1-CG 3.72Å
135K93.1Very high94.9Very high35 Ų3522.1 Ų22.115%0.15211%0.112CC..Hα-helixtrans-61.4-45.9175.8-66-71-168.4-178.80111F51 W131 L132 E139 W147 E200F51-K135 HydrophobicContact CE1-CB 4.34Å; F51-K135 HydrophobicContact CZ-CB 3.94Å; W131-K135 VanDerWaalsContact CE2-CE 3.42Å; W131-K135 HydrophobicContact CH2-CG 4.45Å; W131-K135 HydrophobicContact CZ2-CD 4.31Å; W131-K135 HydrophobicContact CZ2-CG 4.14Å; W131-K135 PolarHBondContact O-N 3.29Å; L132-K135 PolarHBondContact O-N 2.99Å; K135-E139 PolarHBondContact O-N 2.96Å; K135-W147 HydrophobicContact CD-CE3 4.3Å; K135-W147 HydrophobicContact CD-CH2 4.08Å; K135-W147 HydrophobicContact CD-CZ3 3.7Å; K135-W147 VanDerWaalsContact CE-CH2 3.44Å; K135-W147 HydrophobicContact CG-CZ3 4.13Å; K135-E200 WeakPolarHBondContact CE-OE2 3.28Å; K135-E200 VanDerWaalsContact NZ-CD 3.31Å; K135-E200 IonicContact NZ-OE1 3.76Å; K135-E200 PolarHBondContact NZ-OE1 3.35Å; K135-E200 IonicContact NZ-OE2 3.12Å; K135-E200 PolarHBondContact NZ-OE2 3.43Å
136A95.2Very high94.9Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-65.1-53.4178.600000111.1F51 F52 A102 L132 E133 N138 E139 L140F51-A136 HydrophobicContact CD1-CB 3.64Å; F51-A136 HydrophobicContact CE1-CB 3.82Å; F51-A136 HydrophobicContact CG-CB 4.2Å; F51-A136 HydrophobicContact CZ-CB 4.46Å; F52-A136 HydrophobicContact CE1-CB 4Å; F52-A136 HydrophobicContact CE2-CB 4.28Å; F52-A136 HydrophobicContact CZ-CB 3.61Å; A102-A136 HydrophobicContact CB-CB 4.08Å; L132-A136 WeakPolarHBondContact O-CB 3.39Å; L132-A136 PolarHBondContact O-N 3.41Å; E133-A136 PolarHBondContact O-N 3.06Å; A136-N138 VanDerWaalsContact C-N 3.3Å; A136-N138 PolarHBondContact O-N 2.85Å; A136-E139 WeakPolarHBondContact O-CB 3.41Å; A136-E139 PolarHBondContact O-N 3.48Å; A136-E139 VanDerWaalsContact O-N 3.08Å; A136-L140 VanDerWaalsContact O-CG 3.27Å; A136-L140 WeakPolarHBondContact O-CG 3.24Å; A136-L140 PolarHBondContact O-N 3.38Å
137V97.1Very high94.6Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-64.6-34.4-177.7173.20000112.2A98 L99 A102 E133 E139 L140 F141 Y144 V146A98-V137 HydrophobicContact CB-CG1 4.24Å; A98-V137 HydrophobicContact CB-CG2 4.03Å; A98-V137 WeakPolarHBondContact O-CG2 3.39Å; L99-V137 HydrophobicContact CD2-CB 3.97Å; L99-V137 HydrophobicContact CD2-CG1 4.16Å; L99-V137 HydrophobicContact CD2-CG2 3.91Å; L99-V137 HydrophobicContact CG-CG1 4.48Å; L99-V137 HydrophobicContact CG-CG2 4.32Å; A102-V137 HydrophobicContact CB-CG2 3.87Å; E133-V137 WeakPolarHBondContact O-CB 3.46Å; E133-V137 VanDerWaalsContact O-CG2 3.29Å; E133-V137 WeakPolarHBondContact O-CG2 3.49Å; E133-V137 PolarHBondContact O-N 3.32Å; V137-E139 VanDerWaalsContact C-N 3.3Å; V137-E139 PolarHBondContact O-N 3.25Å; V137-L140 PolarHBondContact O-N 3.29Å; V137-F141 HydrophobicContact CG1-CD2 4.25Å; V137-F141 CarbonylContact O-C 2.95Å; V137-F141 WeakPolarHBondContact O-CA 3.46Å; V137-F141 PolarHBondContact O-N 2.98Å; V137-Y144 HydrophobicContact CG1-CD2 4.09Å; V137-V146 HydrophobicContact CB-CG2 4.08Å; V137-V146 HydrophobicContact CG1-CB 4.45Å; V137-V146 HydrophobicContact CG1-CG1 3.8Å; V137-V146 HydrophobicContact CG1-CG2 3.86Å
138N94.7Very high94.4Very high52 Ų5224.3 Ų24.328%0.27812%0.121SC..Hα-helixtrans-65.2-33.6174.6-170.685.9000112.6L134 A136 P142 V146L134-N138 WeakPolarHBondContact O-CB 3.29Å; L134-N138 PolarHBondContact O-N 3.37Å; A136-N138 VanDerWaalsContact C-N 3.3Å; A136-N138 PolarHBondContact O-N 2.85Å; N138-P142 VanDerWaalsContact O-CA 3.26Å; N138-P142 WeakPolarHBondContact O-CA 3.45Å; N138-V146 HydrophobicContact CB-CG2 3.93Å
139E92.7Very high94.3Very high79 Ų7924.4 Ų24.437%0.36912%0.122SC..Hα-helixtrans-72.8-43.4173.2-175.669.3-173.600111.5F51 K135 A136 V137 W271F51-E139 HydrophobicContact CD2-CB 3.87Å; F51-E139 HydrophobicContact CD2-CG 3.87Å; F51-E139 HydrophobicContact CE2-CB 3.72Å; F51-E139 HydrophobicContact CE2-CG 4.01Å; K135-E139 PolarHBondContact O-N 2.96Å; A136-E139 WeakPolarHBondContact O-CB 3.41Å; A136-E139 PolarHBondContact O-N 3.48Å; A136-E139 VanDerWaalsContact O-N 3.08Å; V137-E139 VanDerWaalsContact C-N 3.3Å; V137-E139 PolarHBondContact O-N 3.25Å; E139-W271 HydrophobicContact CB-CH2 4.42Å; E139-W271 HydrophobicContact CG-CH2 3.95Å; E139-W271 WeakPolarHBondContact OE2-CH2 3.48Å; E139-W271 WeakPolarHBondContact OE2-CZ3 3.42Å
140L94.9Very high94.2Very high35 Ų3524.7 Ų24.718%0.18312%0.123CC..Hα-helixtrans-74.9-33.7-174.8-62.8-174.8000113.4K47 A136 V137K47-L140 HydrophobicContact CB-CD1 3.74Å; K47-L140 HydrophobicContact CB-CD2 3.6Å; K47-L140 HydrophobicContact CB-CG 4.3Å; K47-L140 HydrophobicContact CD-CD2 4.14Å; K47-L140 HydrophobicContact CG-CD2 4.44Å; A136-L140 VanDerWaalsContact O-CG 3.27Å; A136-L140 WeakPolarHBondContact O-CG 3.24Å; A136-L140 PolarHBondContact O-N 3.38Å; V137-L140 PolarHBondContact O-N 3.29Å
141F95.6Very high94Very high14 Ų1424.9 Ų24.96%0.06112%0.124CC..  trans-140.966.5-175.2-52-75.4000109.9F40 V44 A98 V137 E143 Y144F40-F141 HydrophobicContact CE2-CE1 4.01Å; F40-F141 AromaticContact CE2-CZ 3.7Å; F40-F141 HydrophobicContact CE2-CZ 3.7Å; F40-F141 HydrophobicContact CZ-CE1 4.37Å; F40-F141 HydrophobicContact CZ-CE2 4.23Å; F40-F141 AromaticContact CZ-CZ 3.86Å; F40-F141 HydrophobicContact CZ-CZ 3.86Å; V44-F141 HydrophobicContact CG2-CE2 3.92Å; V44-F141 HydrophobicContact CG2-CZ 4Å; A98-F141 HydrophobicContact CB-CD2 4.23Å; A98-F141 HydrophobicContact CB-CE2 4.08Å; V137-F141 HydrophobicContact CG1-CD2 4.25Å; V137-F141 CarbonylContact O-C 2.95Å; V137-F141 WeakPolarHBondContact O-CA 3.46Å; V137-F141 PolarHBondContact O-N 2.98Å; F141-E143 VanDerWaalsContact C-OE2 3.23Å; F141-E143 WeakPolarHBondContact CA-OE2 3.33Å; F141-E143 PolarHBondContact O-N 3.09Å; F141-E143 VanDerWaalsContact O-N 3.11Å; F141-Y144 HydrophobicContact CB-CD1 3.92Å; F141-Y144 HydrophobicContact CB-CD2 3.61Å; F141-Y144 HydrophobicContact CB-CE1 4.08Å; F141-Y144 HydrophobicContact CB-CE2 3.79Å; F141-Y144 HydrophobicContact CB-CG 3.68Å; F141-Y144 HydrophobicContact CD1-CE2 4.38Å; F141-Y144 HydrophobicContact CD2-CD2 4.4Å; F141-Y144 HydrophobicContact CD2-CE2 4.05Å; F141-Y144 HydrophobicContact CG-CD2 4.12Å; F141-Y144 HydrophobicContact CG-CE1 4.44Å; F141-Y144 AromaticContact CG-CE2 3.81Å; F141-Y144 HydrophobicContact CG-CE2 3.81Å; F141-Y144 AromaticContact CG-CZ 3.98Å; F141-Y144 WeakPolarHBondContact O-CB 3.42Å; F141-Y144 PolarHBondContact O-N 3.33Å
142P92.2Very high93.8Very high67 Ų6725.9 Ų25.944%0.43513%0.131SC..G310 helixtrans-57.7-27.4-179.224.4-34.9000112.4N138 Y144 D145N138-P142 VanDerWaalsContact O-CA 3.26Å; N138-P142 WeakPolarHBondContact O-CA 3.45Å; P142-Y144 PolarHBondContact O-N 2.83Å; P142-D145 PolarHBondContact O-N 2.83Å; P142-D145 VanDerWaalsContact O-N 3.13Å
143E92.2Very high93.6Very high105 Ų10529.4 Ų29.449%0.49115%0.149SC..G310 helixtrans-64.8-17.8175.573.4-80.2-16700114F141 D145 H519F141-E143 VanDerWaalsContact C-OE2 3.23Å; F141-E143 WeakPolarHBondContact CA-OE2 3.33Å; F141-E143 PolarHBondContact O-N 3.09Å; F141-E143 VanDerWaalsContact O-N 3.11Å; E143-D145 VanDerWaalsContact C-N 3.31Å; E143-H519 WeakPolarHBondContact O-CB 3.33Å
144Y94.6Very high93.5Very high4 Ų430.1 Ų30.12%0.01615%0.152CC..G310 helixtrans-75.2-23.2175.3-68.23.7000112K94 Q95 A98 V137 F141 P142 V146 Q149 H519 T520K94-Y144 VanDerWaalsContact CD-OH 3.28Å; K94-Y144 WeakPolarHBondContact CD-OH 3.06Å; K94-Y144 VanDerWaalsContact CE-OH 3.22Å; K94-Y144 WeakPolarHBondContact CE-OH 3.23Å; K94-Y144 WeakPolarHBondContact CG-OH 3.46Å; K94-Y144 PolarHBondContact NZ-OH 3.32Å; Q95-Y144 HydrophobicContact CB-CD2 4.15Å; Q95-Y144 HydrophobicContact CB-CE2 4.29Å; Q95-Y144 HydrophobicContact CG-CD2 4.01Å; A98-Y144 HydrophobicContact CB-CE2 4.26Å; V137-Y144 HydrophobicContact CG1-CD2 4.09Å; F141-Y144 HydrophobicContact CB-CD1 3.92Å; F141-Y144 HydrophobicContact CB-CD2 3.61Å; F141-Y144 HydrophobicContact CB-CE1 4.08Å; F141-Y144 HydrophobicContact CB-CE2 3.79Å; F141-Y144 HydrophobicContact CB-CG 3.68Å; F141-Y144 HydrophobicContact CD1-CE2 4.38Å; F141-Y144 HydrophobicContact CD2-CD2 4.4Å; F141-Y144 HydrophobicContact CD2-CE2 4.05Å; F141-Y144 HydrophobicContact CG-CD2 4.12Å; F141-Y144 HydrophobicContact CG-CE1 4.44Å; F141-Y144 AromaticContact CG-CE2 3.81Å; F141-Y144 HydrophobicContact CG-CE2 3.81Å; F141-Y144 AromaticContact CG-CZ 3.98Å; F141-Y144 WeakPolarHBondContact O-CB 3.42Å; F141-Y144 PolarHBondContact O-N 3.33Å; P142-Y144 PolarHBondContact O-N 2.83Å; Y144-V146 PolarHBondContact O-N 3.24Å; Y144-Q149 PolarHBondContact O-NE2 2.8Å; Y144-H519 HydrophobicContact CD1-CB 4.09Å; Y144-H519 AromaticContact CD1-CD2 3.75Å; Y144-H519 AromaticContact CD1-CE1 3.22Å; Y144-H519 WeakPolarHBondContact CD1-CE1 3.32Å; Y144-H519 AromaticContact CD1-CG 3.44Å; Y144-H519 VanDerWaalsContact CD1-CG 3.44Å; Y144-H519 AromaticContact CD1-ND1 3.11Å; Y144-H519 WeakPolarHBondContact CD1-ND1 3.47Å; Y144-H519 AromaticContact CD1-NE2 3.62Å; Y144-H519 AromaticContact CE1-CE1 3.32Å; Y144-H519 WeakPolarHBondContact CE1-CE1 3.46Å; Y144-H519 AromaticContact CE1-CG 3.97Å; Y144-H519 AromaticContact CE1-ND1 3.17Å; Y144-H519 WeakPolarHBondContact CE1-ND1 3.34Å; Y144-H519 AromaticContact CG-CD2 3.97Å; Y144-H519 AromaticContact CG-CE1 3.61Å; Y144-H519 AromaticContact CG-ND1 3.94Å; Y144-H519 AromaticContact CG-NE2 3.64Å; Y144-H519 AromaticContact CZ-CE1 3.76Å; Y144-T520 WeakPolarHBondContact O-CG2 2.94Å
145D92.7Very high93.6Very high45 Ų4530 Ų3024%0.24115%0.152CC..  trans55.237.5-179.8-17022.4000113P142 E143 W147 T148 Q149 T520P142-D145 PolarHBondContact O-N 2.83Å; P142-D145 VanDerWaalsContact O-N 3.13Å; E143-D145 VanDerWaalsContact C-N 3.31Å; D145-W147 PolarHBondContact O-N 3.03Å; D145-T148 PolarHBondContact O-N 3.49Å; D145-T148 PolarHBondContact O-OG1 3.3Å; D145-T148 WeakPolarHBondContact OD1-CG2 3.38Å; D145-T148 PolarHBondContact OD1-OG1 2.74Å; D145-T148 PolarHBondContact OD2-OG1 2.59Å; D145-Q149 WeakPolarHBondContact O-CG 3.49Å; D145-Q149 PolarHBondContact O-N 3.47Å; D145-T520 HydrophobicContact CB-CG2 4.06Å
146V94.5Very high93.6Very high1 Ų128.8 Ų28.81%0.00615%0.148CC..Hα-helixtrans-65.1-25.2-175.7-64.20000113.1Q95 L99 L134 V137 N138 Y144 Q149 F150Q95-V146 HydrophobicContact CG-CG1 3.94Å; L99-V146 HydrophobicContact CD2-CB 4.42Å; L99-V146 HydrophobicContact CD2-CG1 4.32Å; L134-V146 HydrophobicContact CD2-CB 4.14Å; L134-V146 HydrophobicContact CD2-CG2 4.36Å; V137-V146 HydrophobicContact CB-CG2 4.08Å; V137-V146 HydrophobicContact CG1-CB 4.45Å; V137-V146 HydrophobicContact CG1-CG1 3.8Å; V137-V146 HydrophobicContact CG1-CG2 3.86Å; N138-V146 HydrophobicContact CB-CG2 3.93Å; Y144-V146 PolarHBondContact O-N 3.24Å; V146-Q149 WeakPolarHBondContact O-CB 3.22Å; V146-Q149 PolarHBondContact O-N 3.41Å; V146-F150 PolarHBondContact O-N 3.44Å
147W90.1Very high93.4Very high46 Ų4633.4 Ų33.417%0.17417%0.169CC..Hα-helixtrans-68.1-37-179.5-171.4-101.7000112.5W131 L134 K135 D145 F150 N197W131-W147 AromaticContact NE1-CH2 3.71Å; L134-W147 HydrophobicContact CB-CE3 4.02Å; L134-W147 HydrophobicContact CB-CZ3 4.19Å; K135-W147 HydrophobicContact CD-CE3 4.3Å; K135-W147 HydrophobicContact CD-CH2 4.08Å; K135-W147 HydrophobicContact CD-CZ3 3.7Å; K135-W147 VanDerWaalsContact CE-CH2 3.44Å; K135-W147 HydrophobicContact CG-CZ3 4.13Å; D145-W147 PolarHBondContact O-N 3.03Å; W147-F150 VanDerWaalsContact O-CB 3.28Å; W147-F150 WeakPolarHBondContact O-CB 3.11Å; W147-N197 WeakPolarHBondContact CH2-OD1 3.32Å; W147-N197 VanDerWaalsContact CZ2-OD1 3.23Å; W147-N197 WeakPolarHBondContact CZ2-OD1 3.11Å
148T90.8Very high93.3Very high5 Ų533.4 Ų33.43%0.03117%0.169CC..Hα-helixtrans-72.2-36.2173.766.80000110.8D145 F150 S151 V432 T469D145-T148 PolarHBondContact O-N 3.49Å; D145-T148 PolarHBondContact O-OG1 3.3Å; D145-T148 WeakPolarHBondContact OD1-CG2 3.38Å; D145-T148 PolarHBondContact OD1-OG1 2.74Å; D145-T148 PolarHBondContact OD2-OG1 2.59Å; T148-F150 VanDerWaalsContact C-N 3.26Å; T148-F150 PolarHBondContact O-N 2.96Å; T148-S151 WeakPolarHBondContact O-CB 3.02Å; T148-S151 PolarHBondContact O-N 3.06Å; T148-S151 PolarHBondContact O-OG 3.06Å; T148-V432 HydrophobicContact CG2-CG2 4.12Å; T148-T469 WeakPolarHBondContact CB-OG1 3.31Å; T148-T469 WeakPolarHBondContact O-CG2 3.5Å; T148-T469 PolarHBondContact OG1-OG1 2.85Å
149Q93.7Very high93.3Very high3 Ų331 Ų311%0.01416%0.156CC..Hα-helixtrans-60.2-32.1177.2-61.3-176.85000112.9Y144 D145 V146 S151 V152 D153 F468 T469Y144-Q149 PolarHBondContact O-NE2 2.8Å; D145-Q149 WeakPolarHBondContact O-CG 3.49Å; D145-Q149 PolarHBondContact O-N 3.47Å; V146-Q149 WeakPolarHBondContact O-CB 3.22Å; V146-Q149 PolarHBondContact O-N 3.41Å; Q149-S151 PolarHBondContact O-N 3.42Å; Q149-V152 PolarHBondContact O-N 2.93Å; Q149-D153 PolarHBondContact O-N 3.01Å; Q149-F468 VanDerWaalsContact CD-CE1 3.49Å; Q149-F468 HydrophobicContact CG-CD1 3.72Å; Q149-F468 HydrophobicContact CG-CE1 3.56Å; Q149-T469 PolarHBondContact N-OG1 2.86Å
150F94Very high93.2Very high6 Ų629.9 Ų29.93%0.02615%0.153CC..Hα-helixtrans-44.3-39.3173.5175.1-119.5000113.6L134 V146 W147 T148 V152 H154 V155 A193 A194 N197L134-F150 HydrophobicContact CD1-CB 3.89Å; L134-F150 HydrophobicContact CD1-CD2 3.15Å; L134-F150 HydrophobicContact CD1-CE2 3.82Å; L134-F150 HydrophobicContact CD1-CG 3.72Å; V146-F150 PolarHBondContact O-N 3.44Å; W147-F150 VanDerWaalsContact O-CB 3.28Å; W147-F150 WeakPolarHBondContact O-CB 3.11Å; T148-F150 VanDerWaalsContact C-N 3.26Å; T148-F150 PolarHBondContact O-N 2.96Å; F150-V152 VanDerWaalsContact C-N 3.3Å; F150-V152 PolarHBondContact O-N 3.11Å; F150-H154 HydrophobicContact CD2-CB 3.61Å; F150-H154 AromaticContact CD2-CD2 3.69Å; F150-H154 AromaticContact CD2-CG 3.91Å; F150-H154 HydrophobicContact CE2-CB 3.58Å; F150-H154 WeakPolarHBondContact O-CB 3.17Å; F150-H154 PolarHBondContact O-N 2.98Å; F150-V155 HydrophobicContact CD1-CG2 3.87Å; F150-V155 HydrophobicContact CE1-CG2 3.47Å; F150-V155 VanDerWaalsContact CE1-CG2 3.47Å; F150-V155 HydrophobicContact CE2-CG2 4.36Å; F150-V155 HydrophobicContact CG-CG2 4.47Å; F150-V155 HydrophobicContact CZ-CG2 3.77Å; F150-V155 PolarHBondContact O-N 3.47Å; F150-A193 HydrophobicContact CE2-CB 3.87Å; F150-A193 HydrophobicContact CZ-CB 4.15Å; F150-A194 HydrophobicContact CZ-CB 4.29Å; F150-N197 HydrophobicContact CE1-CB 4.04Å; F150-N197 HydrophobicContact CZ-CB 4.32Å
151S92.9Very high92.8Very high5 Ų528.7 Ų28.74%0.03515%0.146CC..Iπ-helixtrans-62.7-37.9-178-58.90000112.2T148 Q149 V155 C156 V432T148-S151 WeakPolarHBondContact O-CB 3.02Å; T148-S151 PolarHBondContact O-N 3.06Å; T148-S151 PolarHBondContact O-OG 3.06Å; Q149-S151 PolarHBondContact O-N 3.42Å; S151-V155 WeakPolarHBondContact O-CB 3.36Å; S151-C156 PolarHBondContact O-N 2.8Å; S151-C156 PolarHBondContact O-SG 2.86Å; S151-V432 VanDerWaalsContact OG-CG1 3.24Å; S151-V432 WeakPolarHBondContact OG-CG1 3.45Å
152V91.9Very high92.6Very high22 Ų2228 Ų2813%0.13314%0.143CC..Iπ-helixtrans-87.7-47.7179.9177.40000110.7Q149 F150 M435 T469Q149-V152 PolarHBondContact O-N 2.93Å; F150-V152 VanDerWaalsContact C-N 3.3Å; F150-V152 PolarHBondContact O-N 3.11Å; V152-M435 HydrophobicContact CG2-CE 4.18Å; V152-M435 HydrophobicContact CG2-CG 4Å; V152-M435 HydrophobicContact CG2-SD 4.1Å; V152-T469 HydrophobicContact CG2-CG2 3.91Å; V152-T469 WeakPolarHBondContact CG2-O 3.29Å
153D90.7Very high92.5Very high73 Ų7324.9 Ų24.939%0.3912%0.123SC..Iπ-helixtrans-76-31.5-169.2-67.9-17.2000112.7Q149 E157Q149-D153 PolarHBondContact O-N 3.01Å; D153-E157 WeakPolarHBondContact O-CB 3.32Å
154H95Very high92.1Very high31 Ų3120.1 Ų20.114%0.14410%0.101CC..Iπ-helixtrans-114.3-55.3179.5-66.5-74.1000112.6T130 F150 E157 A158 S190T130-H154 WeakPolarHBondContact CG2-CE1 3.28Å; T130-H154 WeakPolarHBondContact CG2-ND1 3.37Å; F150-H154 HydrophobicContact CD2-CB 3.61Å; F150-H154 AromaticContact CD2-CD2 3.69Å; F150-H154 AromaticContact CD2-CG 3.91Å; F150-H154 HydrophobicContact CE2-CB 3.58Å; F150-H154 WeakPolarHBondContact O-CB 3.17Å; F150-H154 PolarHBondContact O-N 2.98Å; H154-E157 PolarHBondContact O-N 3.3Å; H154-A158 VanDerWaalsContact O-CB 3.29Å; H154-A158 WeakPolarHBondContact O-CB 3.46Å; H154-A158 PolarHBondContact O-N 3.13Å; H154-S190 PolarHBondContact ND1-OG 3.21Å; H154-S190 WeakPolarHBondContact O-CB 3.38Å
155V96.3Very high91.1Very high3 Ų322.9 Ų22.92%0.01812%0.12CC..Iπ-helixtrans-65.2-51.7-171.5-1760000111.5F150 S151 E157 A158 M159 A194 L404 F407F150-V155 HydrophobicContact CD1-CG2 3.87Å; F150-V155 HydrophobicContact CE1-CG2 3.47Å; F150-V155 VanDerWaalsContact CE1-CG2 3.47Å; F150-V155 HydrophobicContact CE2-CG2 4.36Å; F150-V155 HydrophobicContact CG-CG2 4.47Å; F150-V155 HydrophobicContact CZ-CG2 3.77Å; F150-V155 PolarHBondContact O-N 3.47Å; S151-V155 WeakPolarHBondContact O-CB 3.36Å; V155-E157 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 3.41Å; V155-A158 PolarHBondContact O-N 3.14Å; V155-M159 HydrophobicContact CG1-CE 3.78Å; V155-M159 HydrophobicContact CG1-SD 4.33Å; V155-M159 WeakPolarHBondContact O-CB 3.28Å; V155-M159 VanDerWaalsContact O-CG 3.3Å; V155-M159 WeakPolarHBondContact O-CG 3.29Å; V155-M159 PolarHBondContact O-N 3.25Å; V155-A194 HydrophobicContact CG2-CB 4.03Å; V155-L404 HydrophobicContact CB-CD2 3.94Å; V155-L404 HydrophobicContact CG1-CD1 4.37Å; V155-L404 HydrophobicContact CG1-CD2 3.67Å; V155-L404 HydrophobicContact CG1-CG 3.95Å; V155-L404 HydrophobicContact CG2-CD2 4.49Å; V155-F407 HydrophobicContact CG1-CD2 3.98Å; V155-F407 HydrophobicContact CG1-CE2 4.16Å
156C93.9Very high90.1Very high9 Ų921.2 Ų21.26%0.06111%0.112CC..Iπ-helixtrans-62.7-39.2176.9-73.20000112.3S151 M159 I160 D439S151-C156 PolarHBondContact O-N 2.8Å; S151-C156 PolarHBondContact O-SG 2.86Å; C156-M159 PolarHBondContact O-N 3.45Å; C156-I160 VanDerWaalsContact O-CG1 3.3Å; C156-I160 WeakPolarHBondContact O-CG1 3.14Å; C156-I160 PolarHBondContact O-N 3.42Å; C156-D439 VanDerWaalsContact SG-CG 3.57Å; C156-D439 PolarHBondContact SG-OD2 3.43Å
157E90.8Very high89.7Confident96 Ų9621.4 Ų21.445%0.44911%0.114SC..Hα-helixtrans-59.5-52.1176.1-173-164.9-149.200111.4D153 H154 V155 M159 I160 L161 A186 S190D153-E157 WeakPolarHBondContact O-CB 3.32Å; H154-E157 PolarHBondContact O-N 3.3Å; V155-E157 VanDerWaalsContact C-N 3.34Å; V155-E157 PolarHBondContact O-N 3.41Å; E157-M159 VanDerWaalsContact C-N 3.31Å; E157-M159 PolarHBondContact O-N 3.21Å; E157-I160 PolarHBondContact O-N 3.39Å; E157-I160 VanDerWaalsContact O-N 3.13Å; E157-L161 PolarHBondContact O-N 2.75Å; E157-L161 VanDerWaalsContact O-N 3.13Å; E157-A186 HydrophobicContact CG-CB 4.2Å; E157-S190 PolarHBondContact OE2-OG 2.94Å
158A94.3Very high89.6Confident0 Ų019.6 Ų19.60%011%0.107CC..Hα-helixtrans-58.1-44.4175.900000111.1H154 V155 I160 L161 D162 K191 F407H154-A158 VanDerWaalsContact O-CB 3.29Å; H154-A158 WeakPolarHBondContact O-CB 3.46Å; H154-A158 PolarHBondContact O-N 3.13Å; V155-A158 PolarHBondContact O-N 3.14Å; A158-I160 VanDerWaalsContact C-N 3.28Å; A158-I160 PolarHBondContact O-N 2.79Å; A158-L161 PolarHBondContact O-N 3.39Å; A158-D162 WeakPolarHBondContact O-CB 3.22Å; A158-D162 PolarHBondContact O-N 3.01Å; A158-K191 HydrophobicContact CB-CB 3.95Å; A158-F407 HydrophobicContact CB-CE2 3.7Å; A158-F407 HydrophobicContact CB-CZ 3.74Å
159M95.5Very high89.8Confident1 Ų120.5 Ų20.51%0.00511%0.113CC..Hα-helixtrans-62-33.2177.3-78.7-173.3-179.400113.1V155 C156 E157 S163 Y324 L404 F407 R409V155-M159 HydrophobicContact CG1-CE 3.78Å; V155-M159 HydrophobicContact CG1-SD 4.33Å; V155-M159 WeakPolarHBondContact O-CB 3.28Å; V155-M159 VanDerWaalsContact O-CG 3.3Å; V155-M159 WeakPolarHBondContact O-CG 3.29Å; V155-M159 PolarHBondContact O-N 3.25Å; C156-M159 PolarHBondContact O-N 3.45Å; E157-M159 VanDerWaalsContact C-N 3.31Å; E157-M159 PolarHBondContact O-N 3.21Å; M159-S163 WeakPolarHBondContact O-CB 3.42Å; M159-S163 PolarHBondContact O-N 3.1Å; M159-S163 PolarHBondContact O-OG 3.28Å; M159-Y324 HydrophobicContact CB-CE1 3.92Å; M159-Y324 WeakPolarHBondContact CB-OH 3.48Å; M159-Y324 HydrophobicContact CG-CD1 4.48Å; M159-Y324 HydrophobicContact CG-CE1 4Å; M159-Y324 HydrophobicContact CG-CE2 4.22Å; M159-Y324 WeakPolarHBondContact O-CE1 3.38Å; M159-Y324 PolarHBondContact O-OH 2.78Å; M159-Y324 HydrophobicContact SD-CE2 4.41Å; M159-L404 HydrophobicContact CE-CD1 4.19Å; M159-F407 HydrophobicContact CB-CZ 4.5Å; M159-F407 HydrophobicContact CE-CD2 4.13Å; M159-F407 HydrophobicContact CE-CE2 4.42Å; M159-F407 HydrophobicContact CE-CG 4.43Å; M159-F407 HydrophobicContact CG-CD2 4.35Å; M159-F407 HydrophobicContact CG-CE1 4.38Å; M159-F407 HydrophobicContact CG-CE2 3.73Å; M159-F407 HydrophobicContact CG-CZ 3.74Å; M159-R409 HydrophobicContact SD-CG 3.93Å
160I90.2Very high89.9Confident57 Ų5720.4 Ų20.429%0.29211%0.113SC..Hα-helixtrans-69-47.2176.4-71.3163.2000110.3C156 E157 A158 S163 T164C156-I160 VanDerWaalsContact O-CG1 3.3Å; C156-I160 WeakPolarHBondContact O-CG1 3.14Å; C156-I160 PolarHBondContact O-N 3.42Å; E157-I160 PolarHBondContact O-N 3.39Å; E157-I160 VanDerWaalsContact O-N 3.13Å; A158-I160 VanDerWaalsContact C-N 3.28Å; A158-I160 PolarHBondContact O-N 2.79Å; I160-S163 PolarHBondContact O-OG 2.96Å; I160-S163 VanDerWaalsContact O-OG 3.1Å; I160-T164 WeakPolarHBondContact O-CG2 3.31Å
161L87.1Confident90Very high9 Ų921.6 Ų21.65%0.04712%0.118CC..Hα-helixtrans-65.6-45177.2165.254.7000111.4E157 A158 S163 T164 A186 V187E157-L161 PolarHBondContact O-N 2.75Å; E157-L161 VanDerWaalsContact O-N 3.13Å; A158-L161 PolarHBondContact O-N 3.39Å; L161-S163 PolarHBondContact O-N 3.08Å; L161-T164 PolarHBondContact O-N 3.31Å; L161-T164 VanDerWaalsContact O-N 3.1Å; L161-T164 PolarHBondContact O-OG1 3.23Å; L161-A186 HydrophobicContact CD2-CB 3.86Å; L161-V187 HydrophobicContact CD2-CG2 3.79Å; L161-V187 HydrophobicContact CG-CG2 4.11Å
162D91.6Very high89.8Confident1 Ų123 Ų231%0.00512%0.124CC..Hα-helixtrans-76.2-7.2-170.8-162.939000113.8A158 S167 K191 G323 Y324A158-D162 WeakPolarHBondContact O-CB 3.22Å; A158-D162 PolarHBondContact O-N 3.01Å; D162-S167 WeakPolarHBondContact CA-OG 3.34Å; D162-S167 WeakPolarHBondContact OD1-CB 3.32Å; D162-S167 PolarHBondContact OD1-OG 2.96Å; D162-K191 IonicContact OD1-NZ 2.83Å; D162-K191 PolarHBondContact OD1-NZ 3.37Å; D162-K191 WeakPolarHBondContact OD2-CD 3.5Å; D162-K191 WeakPolarHBondContact OD2-CE 3.3Å; D162-K191 IonicContact OD2-NZ 3.95Å; D162-K191 PolarHBondContact OD2-NZ 2.98Å; D162-G323 VanDerWaalsContact CG-CA 3.4Å; D162-G323 WeakPolarHBondContact O-CA 3.5Å; D162-G323 WeakPolarHBondContact OD1-CA 3.47Å; D162-G323 PolarHBondContact OD1-N 3.5Å; D162-G323 WeakPolarHBondContact OD2-CA 3.44Å; D162-G323 PolarHBondContact OD2-N 2.97Å; D162-Y324 HydrophobicContact CB-CD1 4.06Å; D162-Y324 HydrophobicContact CB-CE1 4.12Å
163S90Very high89.8Confident0 Ų024.7 Ų24.70%014%0.14CC..THydrogen-bonded Turntrans-97.65.6172.555.50000113.7M159 I160 L161 V348 Y349M159-S163 WeakPolarHBondContact O-CB 3.42Å; M159-S163 PolarHBondContact O-N 3.1Å; M159-S163 PolarHBondContact O-OG 3.28Å; I160-S163 PolarHBondContact O-OG 2.96Å; I160-S163 VanDerWaalsContact O-OG 3.1Å; L161-S163 PolarHBondContact O-N 3.08Å; S163-V348 WeakPolarHBondContact O-CA 3.31Å; S163-Y349 PolarHBondContact O-N 2.84Å; S163-Y349 WeakPolarHBondContact OG-CD2 3.48Å; S163-Y349 WeakPolarHBondContact OG-CE2 3.4Å
164T82.7Confident89.7Confident5 Ų522 Ų223%0.03113%0.126CC..SBendtrans-90.4154.7172.373.30000111I160 L161 S166 S167 K704 L707I160-T164 WeakPolarHBondContact O-CG2 3.31Å; L161-T164 PolarHBondContact O-N 3.31Å; L161-T164 VanDerWaalsContact O-N 3.1Å; L161-T164 PolarHBondContact O-OG1 3.23Å; T164-S166 PolarHBondContact O-N 3.32Å; T164-S166 PolarHBondContact OG1-OG 2.91Å; T164-S167 PolarHBondContact O-N 2.97Å; T164-K704 HydrophobicContact CG2-CG 4.35Å; T164-L707 HydrophobicContact CG2-CD1 3.47Å; T164-L707 VanDerWaalsContact CG2-CD1 3.47Å
165C74.5Confident89.4Confident63 Ų6327.4 Ų27.443%0.42615%0.154SC..THydrogen-bonded Turntrans-7017.1178.266.40000114.5P703C165-P703 WeakPolarHBondContact SG-CG 3.43Å
166S71.9Confident88.9Confident10 Ų1031.8 Ų31.87%0.0718%0.177CC..THydrogen-bonded Turntrans-137.96.3-170.354.80000113.7T164 R700T164-S166 PolarHBondContact O-N 3.32Å; T164-S166 PolarHBondContact OG1-OG 2.91Å; S166-R700 WeakPolarHBondContact CB-O 3.19Å; S166-R700 PolarHBondContact OG-O 3.47Å
167S85.4Confident88.3Confident5 Ų536.1 Ų36.14%0.03521%0.205CC..  trans-60.1178164.4-1600000110.9D162 T164D162-S167 WeakPolarHBondContact CA-OG 3.34Å; D162-S167 WeakPolarHBondContact OD1-CB 3.32Å; D162-S167 PolarHBondContact OD1-OG 2.96Å; T164-S167 PolarHBondContact O-N 2.97Å
168H89.1Confident87.7Confident7 Ų733.7 Ų33.73%0.03220%0.197CC..  trans-146.1163.4171.655.887.7000109.6Q172 D185H168-Q172 HydrophobicContact CB-CB 4.43Å; H168-Q172 HydrophobicContact CB-CG 4.3Å; H168-D185 IonicContact CE1-OD1 3.49Å; H168-D185 IonicContact NE2-OD1 2.8Å; H168-D185 PolarHBondContact NE2-OD1 2.87Å; H168-D185 IonicContact NE2-OD2 3.78Å; H168-D185 PolarHBondContact NE2-OD2 2.69Å
169P94.1Very high87.1Confident25 Ų2535.1 Ų35.116%0.16221%0.205CC..  trans-58.3157.1166.9-21.833.8000111.9E171 T319P169-E171 VanDerWaalsContact C-N 3.34Å; P169-T319 WeakPolarHBondContact CB-O 3.37Å
170I96Very high86.5Confident1 Ų136.5 Ų36.51%0.00521%0.211CC..SBendtrans-62.3-46.2171.6-59178.1000109.7W123 Q172 V187 K191 V195 T319W123-I170 HydrophobicContact CB-CG2 3.38Å; W123-I170 VanDerWaalsContact CD1-CG2 3.43Å; W123-I170 HydrophobicContact CD2-CG2 3.71Å; W123-I170 HydrophobicContact CE3-CG2 4.43Å; W123-I170 HydrophobicContact CG-CG2 3.17Å; I170-Q172 VanDerWaalsContact C-N 3.3Å; I170-Q172 PolarHBondContact O-N 3.02Å; I170-V187 HydrophobicContact CG1-CG1 4.03Å; I170-K191 HydrophobicContact CD1-CD 3.99Å; I170-K191 HydrophobicContact CD1-CG 3.89Å; I170-K191 HydrophobicContact CG1-CD 3.85Å; I170-K191 HydrophobicContact CG1-CG 4.19Å; I170-V195 HydrophobicContact CD1-CB 4.28Å; I170-V195 HydrophobicContact CD1-CG2 3.85Å; I170-T319 HydrophobicContact CD1-CG2 4.3Å; I170-T319 PolarHBondContact N-O 3.45Å
171E95.7Very high85.9Confident30 Ų3037.4 Ų37.414%0.1421%0.214CC..SBendtrans-80.374.7170.9-74.4173.7-107.300109.8T120 P169 A296 T319 R320T120-E171 HydrophobicContact CG2-CB 4.14Å; P169-E171 VanDerWaalsContact C-N 3.34Å; E171-A296 HydrophobicContact CG-CB 4.43Å; E171-T319 PolarHBondContact N-O 2.78Å; E171-T319 WeakPolarHBondContact OE1-CB 3.14Å; E171-T319 PolarHBondContact OE1-OG1 3.16Å; E171-R320 HydrophobicContact CB-CG 4.34Å; E171-R320 VanDerWaalsContact OE1-CG 3.23Å; E171-R320 WeakPolarHBondContact OE1-CG 3.32Å; E171-R320 IonicContact OE1-NE 2.82Å; E171-R320 IonicContact OE2-CZ 2.75Å; E171-R320 IonicContact OE2-NE 2.71Å; E171-R320 PolarHBondContact OE2-NE 3.35Å; E171-R320 IonicContact OE2-NH2 3.78Å
172Q89.8Confident85.4Confident36 Ų3638.8 Ų38.817%0.16822%0.221CC..  trans-91.3121.7179.8171.657.963.700111T120 H168 I170 I174 N183T120-Q172 WeakPolarHBondContact CA-O 3.29Å; H168-Q172 HydrophobicContact CB-CB 4.43Å; H168-Q172 HydrophobicContact CB-CG 4.3Å; I170-Q172 VanDerWaalsContact C-N 3.3Å; I170-Q172 PolarHBondContact O-N 3.02Å; Q172-I174 PolarHBondContact O-N 3.45Å; Q172-N183 WeakPolarHBondContact CB-ND2 3.44Å; Q172-N183 WeakPolarHBondContact CG-ND2 3.49Å
173A90.4Very high85Confident56 Ų5639 Ų3946%0.46322%0.222SC..  trans-57.4131.6176.300000112
174I89.3Confident84.6Confident18 Ų1843.1 Ų43.19%0.09224%0.238CC..  trans-105.8121.1179.5-62.1-59.7000109.9W118 W119 Q172 D179 I180 N183W118-I174 HydrophobicContact CZ2-CG2 4.36Å; W119-I174 HydrophobicContact CB-CB 4.3Å; W119-I174 HydrophobicContact CB-CG1 3.73Å; W119-I174 HydrophobicContact CB-CG2 4.25Å; Q172-I174 PolarHBondContact O-N 3.45Å; I174-D179 HydrophobicContact CD1-CB 3.83Å; I174-D179 HydrophobicContact CG2-CB 4.4Å; I174-I180 HydrophobicContact CG2-CD1 4.3Å; I174-I180 HydrophobicContact CG2-CG1 3.61Å; I174-N183 WeakPolarHBondContact CD1-ND2 3.45Å
175I88.1Confident84.6Confident143 Ų14344.1 Ų44.173%0.73324%0.243SC*.  trans-112.6-41.7-178.5-56.3174.9000110.6D179I175-D179 PolarHBondContact N-OD2 3.38Å
176L85.8Confident85.2Confident95 Ų9541.8 Ų41.850%0.49723%0.228SC..SBendtrans-118.5153.8-178.1-61.9174.4000110.9T178 D179L176-T178 PolarHBondContact O-N 2.99Å; L176-T178 VanDerWaalsContact O-N 3.12Å; L176-D179 PolarHBondContact N-OD2 2.98Å; L176-D179 VanDerWaalsContact O-CB 3.27Å; L176-D179 WeakPolarHBondContact O-CB 3.44Å; L176-D179 PolarHBondContact O-N 2.66Å
177P83Confident86.1Confident101 Ų10141.3 Ų41.366%0.65623%0.225SC*.Hα-helixtrans-55.2-31.7174-27.535.4000113.9D179 I180P177-D179 PolarHBondContact O-N 2.83Å; P177-I180 WeakPolarHBondContact O-CB 3.32Å; P177-I180 PolarHBondContact O-N 2.77Å
178T77.9Confident86.4Confident45 Ų4541.1 Ų41.128%0.27622%0.224SC..Hα-helixtrans-67.8-24176.3580000113.2L176 I180 E181 E182 K664L176-T178 PolarHBondContact O-N 2.99Å; L176-T178 VanDerWaalsContact O-N 3.12Å; T178-I180 PolarHBondContact O-N 2.68Å; T178-E181 PolarHBondContact O-N 2.87Å; T178-E182 VanDerWaalsContact O-CG 3.31Å; T178-E182 WeakPolarHBondContact O-CG 3.33Å; T178-E182 PolarHBondContact O-N 2.61Å; T178-E182 VanDerWaalsContact O-N 3.08Å; T178-K664 HydrophobicContact CG2-CD 3.9Å; T178-K664 PolarHBondContact OG1-NZ 2.75Å
179D81Confident86.7Confident30 Ų3043.9 Ų43.916%0.1623%0.234CC..Hα-helixtrans-68.9-31177.6-53.9-17.8000110I174 I175 L176 P177 E182 N183I174-D179 HydrophobicContact CD1-CB 3.83Å; I174-D179 HydrophobicContact CG2-CB 4.4Å; I175-D179 PolarHBondContact N-OD2 3.38Å; L176-D179 PolarHBondContact N-OD2 2.98Å; L176-D179 VanDerWaalsContact O-CB 3.27Å; L176-D179 WeakPolarHBondContact O-CB 3.44Å; L176-D179 PolarHBondContact O-N 2.66Å; P177-D179 PolarHBondContact O-N 2.83Å; D179-E182 PolarHBondContact O-N 2.92Å; D179-N183 PolarHBondContact O-N 3.27Å; D179-N183 PolarHBondContact O-OD1 3.13Å
180I83.4Confident86.8Confident29 Ų2942.9 Ų42.915%0.14923%0.228CC..Hα-helixtrans-62.4-51.1174.7-53.6171.2000109.5W119 I174 P177 T178 E182 N183 Y184W119-I180 HydrophobicContact CB-CD1 4.45Å; W119-I180 HydrophobicContact CB-CG1 4.08Å; W119-I180 HydrophobicContact CD2-CD1 4.04Å; W119-I180 HydrophobicContact CD2-CG1 4.32Å; W119-I180 HydrophobicContact CD2-CG2 3.79Å; W119-I180 HydrophobicContact CE3-CG2 3.68Å; W119-I180 HydrophobicContact CG-CD1 3.76Å; W119-I180 HydrophobicContact CG-CG1 3.89Å; W119-I180 HydrophobicContact CG-CG2 4.18Å; W119-I180 HydrophobicContact CZ3-CG2 4.2Å; I174-I180 HydrophobicContact CG2-CD1 4.3Å; I174-I180 HydrophobicContact CG2-CG1 3.61Å; P177-I180 WeakPolarHBondContact O-CB 3.32Å; P177-I180 PolarHBondContact O-N 2.77Å; T178-I180 PolarHBondContact O-N 2.68Å; I180-E182 PolarHBondContact O-N 2.83Å; I180-N183 PolarHBondContact O-N 2.89Å; I180-Y184 HydrophobicContact CG2-CD2 4.5Å; I180-Y184 HydrophobicContact CG2-CE2 3.85Å; I180-Y184 WeakPolarHBondContact O-CD2 3.42Å; I180-Y184 PolarHBondContact O-N 3.03Å
181E77.4Confident86.9Confident76 Ų7642.8 Ų42.836%0.35523%0.227SC..Hα-helixtrans-61-32.6177.4-66.3-174-168.100112.7T178 R665T178-E181 PolarHBondContact O-N 2.87Å; E181-R665 IonicContact OE1-CZ 3.35Å; E181-R665 IonicContact OE1-NH1 2.71Å; E181-R665 PolarHBondContact OE1-NH1 2.55Å; E181-R665 IonicContact OE2-CZ 2.55Å; E181-R665 IonicContact OE2-NH1 2.65Å; E181-R665 PolarHBondContact OE2-NH1 3.22Å
182E76.9Confident86.9Confident39 Ų3941.4 Ų41.418%0.18222%0.221CC..Hα-helixtrans-73.8-28.9179.1-74175.5-156.500112.6T178 D179 I180 K664T178-E182 VanDerWaalsContact O-CG 3.31Å; T178-E182 WeakPolarHBondContact O-CG 3.33Å; T178-E182 PolarHBondContact O-N 2.61Å; T178-E182 VanDerWaalsContact O-N 3.08Å; D179-E182 PolarHBondContact O-N 2.92Å; I180-E182 PolarHBondContact O-N 2.83Å; E182-K664 IonicContact OE1-NZ 2.66Å; E182-K664 PolarHBondContact OE1-NZ 2.76Å; E182-K664 VanDerWaalsContact OE1-NZ 3.14Å
183N82.8Confident87.3Confident4 Ų439.7 Ų39.72%0.02121%0.213CC..Hα-helixtrans-83.2-8.1179.1-76.712.6000114L122 Q172 I174 D179 I180 D185 S188L122-N183 HydrophobicContact CD2-CB 4.4Å; Q172-N183 WeakPolarHBondContact CB-ND2 3.44Å; Q172-N183 WeakPolarHBondContact CG-ND2 3.49Å; I174-N183 WeakPolarHBondContact CD1-ND2 3.45Å; D179-N183 PolarHBondContact O-N 3.27Å; D179-N183 PolarHBondContact O-OD1 3.13Å; I180-N183 PolarHBondContact O-N 2.89Å; N183-D185 PolarHBondContact O-N 2.82Å; N183-S188 VanDerWaalsContact O-CB 3.27Å; N183-S188 WeakPolarHBondContact O-CB 3.43Å; N183-S188 PolarHBondContact O-OG 3.07Å
184Y80.7Confident87.6Confident87 Ų8737.2 Ų37.234%0.34119%0.192SC..SBendtrans-74.473.7167-75.8-79000109.9W119 L122 E126 I180 Y189W119-Y184 WeakPolarHBondContact CZ3-OH 3.38Å; L122-Y184 HydrophobicContact CD1-CE1 3.85Å; L122-Y184 HydrophobicContact CD2-CD1 3.91Å; L122-Y184 HydrophobicContact CD2-CD2 4.19Å; L122-Y184 HydrophobicContact CD2-CE1 3.84Å; L122-Y184 HydrophobicContact CD2-CE2 4.1Å; L122-Y184 HydrophobicContact CD2-CG 4.11Å; L122-Y184 HydrophobicContact CG-CE1 4.37Å; E126-Y184 HydrophobicContact CG-CD1 4.37Å; E126-Y184 HydrophobicContact CG-CE1 4.11Å; I180-Y184 HydrophobicContact CG2-CD2 4.5Å; I180-Y184 HydrophobicContact CG2-CE2 3.85Å; I180-Y184 WeakPolarHBondContact O-CD2 3.42Å; I180-Y184 PolarHBondContact O-N 3.03Å; Y184-Y189 AromaticContact CD1-CE2 3.76Å; Y184-Y189 HydrophobicContact CD1-CE2 3.76Å; Y184-Y189 AromaticContact CD1-CZ 3.91Å; Y184-Y189 WeakPolarHBondContact CD1-OH 3.28Å; Y184-Y189 HydrophobicContact CG-CE2 4.5Å
185D83.1Confident88Confident26 Ų2636.3 Ų36.314%0.13919%0.188CC..SBendtrans-142.6-179.7-178.681.51000113.3H168 N183 V187 S188 Y189H168-D185 IonicContact CE1-OD1 3.49Å; H168-D185 IonicContact NE2-OD1 2.8Å; H168-D185 PolarHBondContact NE2-OD1 2.87Å; H168-D185 IonicContact NE2-OD2 3.78Å; H168-D185 PolarHBondContact NE2-OD2 2.69Å; N183-D185 PolarHBondContact O-N 2.82Å; D185-V187 PolarHBondContact O-N 3.3Å; D185-V187 WeakPolarHBondContact OD1-CA 3.46Å; D185-V187 VanDerWaalsContact OD1-CB 3.29Å; D185-V187 WeakPolarHBondContact OD1-CB 3.41Å; D185-V187 PolarHBondContact OD1-N 3.34Å; D185-S188 PolarHBondContact O-N 3.35Å; D185-S188 VanDerWaalsContact O-N 3.09Å; D185-Y189 VanDerWaalsContact O-CD2 3.3Å; D185-Y189 WeakPolarHBondContact O-CD2 3.45Å; D185-Y189 PolarHBondContact O-N 3.09Å; D185-Y189 VanDerWaalsContact O-N 3.11Å
186A87.4Confident88.3Confident14 Ų1429.5 Ų29.512%0.11615%0.153CC..THydrogen-bonded Turntrans-62.3-12-176.600000114.2E157 L161 S190 K191E157-A186 HydrophobicContact CG-CB 4.2Å; L161-A186 HydrophobicContact CD2-CB 3.86Å; A186-S190 CarbonylContact O-C 3.49Å; A186-S190 WeakPolarHBondContact O-CA 3.37Å; A186-S190 VanDerWaalsContact O-CB 3.26Å; A186-S190 WeakPolarHBondContact O-CB 3.22Å; A186-S190 PolarHBondContact O-N 2.86Å; A186-S190 VanDerWaalsContact O-N 3.07Å; A186-K191 PolarHBondContact O-N 2.9Å
187V91.5Very high88.7Confident0 Ų025.3 Ų25.30%013%0.131CC..Iπ-helixtrans-73.9-51.3170.4178.80000109.9L161 I170 D185 K191 G192L161-V187 HydrophobicContact CD2-CG2 3.79Å; L161-V187 HydrophobicContact CG-CG2 4.11Å; I170-V187 HydrophobicContact CG1-CG1 4.03Å; D185-V187 PolarHBondContact O-N 3.3Å; D185-V187 WeakPolarHBondContact OD1-CA 3.46Å; D185-V187 VanDerWaalsContact OD1-CB 3.29Å; D185-V187 WeakPolarHBondContact OD1-CB 3.41Å; D185-V187 PolarHBondContact OD1-N 3.34Å; V187-K191 HydrophobicContact CG1-CB 4.47Å; V187-K191 HydrophobicContact CG1-CD 4.21Å; V187-K191 VanDerWaalsContact O-CB 3.29Å; V187-K191 WeakPolarHBondContact O-CB 3.39Å; V187-K191 PolarHBondContact O-N 2.88Å; V187-G192 PolarHBondContact O-N 3.1Å
188S91.4Very high89.3Confident1 Ų120.6 Ų20.61%0.00710%0.1CC..Iπ-helixtrans-70-36.8-178.5-69.10000113.4G127 N183 D185G127-S188 WeakPolarHBondContact CA-O 3.24Å; G127-S188 PolarHBondContact N-O 3.11Å; N183-S188 VanDerWaalsContact O-CB 3.27Å; N183-S188 WeakPolarHBondContact O-CB 3.43Å; N183-S188 PolarHBondContact O-OG 3.07Å; D185-S188 PolarHBondContact O-N 3.35Å; D185-S188 VanDerWaalsContact O-N 3.09Å
189Y94.3Very high90.1Very high66 Ų6618.5 Ų18.526%0.2599%0.087SC..Iπ-helixtrans-82.7-74.1176.7-69.9-103000111E126 T130 Y184 D185 G192 A193E126-Y189 HydrophobicContact CB-CD1 3.94Å; E126-Y189 HydrophobicContact CB-CD2 4.16Å; E126-Y189 HydrophobicContact CB-CE1 3.89Å; E126-Y189 HydrophobicContact CB-CE2 4.18Å; E126-Y189 HydrophobicContact CB-CG 4.05Å; E126-Y189 HydrophobicContact CG-CE1 4.13Å; E126-Y189 HydrophobicContact CG-CE2 4.08Å; E126-Y189 WeakPolarHBondContact OE2-CE1 3.27Å; E126-Y189 PolarHBondContact OE2-OH 2.91Å; T130-Y189 WeakPolarHBondContact OG1-CD1 3.31Å; Y184-Y189 AromaticContact CD1-CE2 3.76Å; Y184-Y189 HydrophobicContact CD1-CE2 3.76Å; Y184-Y189 AromaticContact CD1-CZ 3.91Å; Y184-Y189 WeakPolarHBondContact CD1-OH 3.28Å; Y184-Y189 HydrophobicContact CG-CE2 4.5Å; D185-Y189 VanDerWaalsContact O-CD2 3.3Å; D185-Y189 WeakPolarHBondContact O-CD2 3.45Å; D185-Y189 PolarHBondContact O-N 3.09Å; D185-Y189 VanDerWaalsContact O-N 3.11Å; Y189-G192 PolarHBondContact O-N 3.48Å; Y189-A193 WeakPolarHBondContact O-CB 3.37Å; Y189-A193 PolarHBondContact O-N 3.49Å
190S96.4Very high90.7Very high3 Ų317.7 Ų17.72%0.0218%0.083CC..Iπ-helixtrans-72.4-45.3-166.5-54.90000113.1H154 E157 A186 A193 A194H154-S190 PolarHBondContact ND1-OG 3.21Å; H154-S190 WeakPolarHBondContact O-CB 3.38Å; E157-S190 PolarHBondContact OE2-OG 2.94Å; A186-S190 CarbonylContact O-C 3.49Å; A186-S190 WeakPolarHBondContact O-CA 3.37Å; A186-S190 VanDerWaalsContact O-CB 3.26Å; A186-S190 WeakPolarHBondContact O-CB 3.22Å; A186-S190 PolarHBondContact O-N 2.86Å; A186-S190 VanDerWaalsContact O-N 3.07Å; S190-A193 PolarHBondContact O-N 3.19Å; S190-A194 WeakPolarHBondContact O-CB 3.41Å; S190-A194 PolarHBondContact O-N 3Å
191K97.6Very high91.1Very high0 Ų020.1 Ų20.10%09%0.093CC..Iπ-helixtrans-67.8-39.7174.1-171.6-177.4177.3174.90110.9A158 D162 I170 A186 V187 A194 V195 G323 F407A158-K191 HydrophobicContact CB-CB 3.95Å; D162-K191 IonicContact OD1-NZ 2.83Å; D162-K191 PolarHBondContact OD1-NZ 3.37Å; D162-K191 WeakPolarHBondContact OD2-CD 3.5Å; D162-K191 WeakPolarHBondContact OD2-CE 3.3Å; D162-K191 IonicContact OD2-NZ 3.95Å; D162-K191 PolarHBondContact OD2-NZ 2.98Å; I170-K191 HydrophobicContact CD1-CD 3.99Å; I170-K191 HydrophobicContact CD1-CG 3.89Å; I170-K191 HydrophobicContact CG1-CD 3.85Å; I170-K191 HydrophobicContact CG1-CG 4.19Å; A186-K191 PolarHBondContact O-N 2.9Å; V187-K191 HydrophobicContact CG1-CB 4.47Å; V187-K191 HydrophobicContact CG1-CD 4.21Å; V187-K191 VanDerWaalsContact O-CB 3.29Å; V187-K191 WeakPolarHBondContact O-CB 3.39Å; V187-K191 PolarHBondContact O-N 2.88Å; K191-A194 PolarHBondContact O-N 3.02Å; K191-V195 HydrophobicContact CG-CG2 4.31Å; K191-V195 WeakPolarHBondContact O-CB 3.49Å; K191-V195 WeakPolarHBondContact O-CG2 3.45Å; K191-V195 PolarHBondContact O-N 2.95Å; K191-G323 PolarHBondContact NZ-O 2.78Å; K191-F407 HydrophobicContact CB-CE2 4.49Å; K191-F407 HydrophobicContact CB-CZ 4.16Å; K191-F407 HydrophobicContact CD-CD1 4.44Å; K191-F407 HydrophobicContact CD-CE1 3.8Å; K191-F407 HydrophobicContact CD-CZ 4.15Å; K191-F407 HydrophobicContact CG-CD1 4.13Å; K191-F407 HydrophobicContact CG-CE1 3.66Å; K191-F407 HydrophobicContact CG-CE2 4.18Å; K191-F407 HydrophobicContact CG-CZ 3.69Å
192G97.2Very high91.8Very high0 Ų018.1 Ų18.10%08%0.083CC..Hα-helixtrans-52-55172.400000111.9V187 Y189 A194 V195 V196V187-G192 PolarHBondContact O-N 3.1Å; Y189-G192 PolarHBondContact O-N 3.48Å; G192-A194 VanDerWaalsContact C-N 3.35Å; G192-A194 PolarHBondContact O-N 2.9Å; G192-V195 PolarHBondContact O-N 2.88Å; G192-V196 WeakPolarHBondContact O-CG2 3.45Å; G192-V196 PolarHBondContact O-N 3.42Å
193A97.4Very high92.5Very high0 Ų016.4 Ų16.40%07%0.074CC..Hα-helixtrans-59.8-41.1176.600000113.1G127 T130 W131 F150 Y189 S190 V195 V196 N197G127-A193 WeakPolarHBondContact O-CA 3.49Å; G127-A193 WeakPolarHBondContact O-CB 3.08Å; T130-A193 HydrophobicContact CG2-CB 3.74Å; W131-A193 HydrophobicContact CB-CB 4.01Å; F150-A193 HydrophobicContact CE2-CB 3.87Å; F150-A193 HydrophobicContact CZ-CB 4.15Å; Y189-A193 WeakPolarHBondContact O-CB 3.37Å; Y189-A193 PolarHBondContact O-N 3.49Å; S190-A193 PolarHBondContact O-N 3.19Å; A193-V195 VanDerWaalsContact C-N 3.33Å; A193-V195 PolarHBondContact O-N 3.06Å; A193-V196 PolarHBondContact O-N 2.82Å; A193-N197 WeakPolarHBondContact O-CB 3.22Å; A193-N197 PolarHBondContact O-N 3.29Å
194A97.2Very high92.3Very high4 Ų416.8 Ų16.83%0.0338%0.079CC..Hα-helixtrans-64.8-37.2178.600000112.8F150 V155 S190 K191 G192 N197 M198 F407F150-A194 HydrophobicContact CZ-CB 4.29Å; V155-A194 HydrophobicContact CG2-CB 4.03Å; S190-A194 WeakPolarHBondContact O-CB 3.41Å; S190-A194 PolarHBondContact O-N 3Å; K191-A194 PolarHBondContact O-N 3.02Å; G192-A194 VanDerWaalsContact C-N 3.35Å; G192-A194 PolarHBondContact O-N 2.9Å; A194-N197 PolarHBondContact O-N 2.91Å; A194-M198 WeakPolarHBondContact O-CB 3.27Å; A194-M198 PolarHBondContact O-N 2.88Å; A194-F407 HydrophobicContact CB-CD2 3.47Å; A194-F407 VanDerWaalsContact CB-CD2 3.47Å; A194-F407 HydrophobicContact CB-CE2 3.99Å; A194-F407 HydrophobicContact CB-CG 4.35Å
195V96.8Very high91.4Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-71.3-37.4176.1168.90000111I170 K191 G192 A193 M198 I199 M315 W318 T319I170-V195 HydrophobicContact CD1-CB 4.28Å; I170-V195 HydrophobicContact CD1-CG2 3.85Å; K191-V195 HydrophobicContact CG-CG2 4.31Å; K191-V195 WeakPolarHBondContact O-CB 3.49Å; K191-V195 WeakPolarHBondContact O-CG2 3.45Å; K191-V195 PolarHBondContact O-N 2.95Å; G192-V195 PolarHBondContact O-N 2.88Å; A193-V195 VanDerWaalsContact C-N 3.33Å; A193-V195 PolarHBondContact O-N 3.06Å; V195-M198 PolarHBondContact O-N 3.28Å; V195-I199 WeakPolarHBondContact O-CG2 3.43Å; V195-I199 PolarHBondContact O-N 3.39Å; V195-M315 HydrophobicContact CB-CE 4.49Å; V195-M315 HydrophobicContact CG1-CE 3.14Å; V195-M315 HydrophobicContact CG1-SD 4.48Å; V195-W318 HydrophobicContact CG1-CB 4.21Å; V195-W318 HydrophobicContact CG2-CB 4.26Å; V195-T319 HydrophobicContact CG1-CG2 4.48Å
196V95.9Very high90.3Very high0 Ų021.9 Ų21.90%011%0.106CC..Hα-helixtrans-61.3-46.8170.41750000111.2W123 F128 W131 G192 A193 M198 I199 E200 F278W123-V196 HydrophobicContact CZ3-CG2 3.83Å; F128-V196 HydrophobicContact CD1-CG1 4.37Å; F128-V196 HydrophobicContact CD2-CG2 4.15Å; F128-V196 HydrophobicContact CE1-CG1 3.99Å; F128-V196 HydrophobicContact CE1-CG2 4.34Å; F128-V196 HydrophobicContact CE2-CG2 3.88Å; F128-V196 HydrophobicContact CZ-CG1 4.3Å; F128-V196 HydrophobicContact CZ-CG2 3.99Å; W131-V196 HydrophobicContact CB-CG1 4.39Å; W131-V196 HydrophobicContact CD2-CG1 3.7Å; W131-V196 HydrophobicContact CE3-CG1 3.93Å; W131-V196 HydrophobicContact CG-CB 4.43Å; W131-V196 HydrophobicContact CG-CG1 3.89Å; G192-V196 WeakPolarHBondContact O-CG2 3.45Å; G192-V196 PolarHBondContact O-N 3.42Å; A193-V196 PolarHBondContact O-N 2.82Å; V196-M198 VanDerWaalsContact C-N 3.3Å; V196-M198 PolarHBondContact O-N 3.48Å; V196-I199 WeakPolarHBondContact O-CG2 3.48Å; V196-I199 PolarHBondContact O-N 3.26Å; V196-E200 PolarHBondContact O-N 2.74Å; V196-F278 HydrophobicContact CG1-CE2 4.49Å; V196-F278 HydrophobicContact CG1-CZ 3.82Å
197N94.3Very high88.9Confident6 Ų623 Ų233%0.03211%0.111CC..Hα-helixtrans-60.4-39.8176.6-177.963.4000112.3W147 F150 A193 A194 E200 H201W147-N197 WeakPolarHBondContact CH2-OD1 3.32Å; W147-N197 VanDerWaalsContact CZ2-OD1 3.23Å; W147-N197 WeakPolarHBondContact CZ2-OD1 3.11Å; F150-N197 HydrophobicContact CE1-CB 4.04Å; F150-N197 HydrophobicContact CZ-CB 4.32Å; A193-N197 WeakPolarHBondContact O-CB 3.22Å; A193-N197 PolarHBondContact O-N 3.29Å; A194-N197 PolarHBondContact O-N 2.91Å; N197-E200 PolarHBondContact O-N 3.04Å; N197-H201 PolarHBondContact O-N 3.29Å; N197-H201 VanDerWaalsContact O-N 3.09Å; N197-H201 PolarHBondContact O-ND1 3.21Å; N197-H201 PolarHBondContact OD1-CE1 3.48Å; N197-H201 PolarHBondContact OD1-ND1 2.86Å
198M95.2Very high87.2Confident2 Ų225 Ų251%0.0113%0.125CC..Hα-helixtrans-65.6-43.2178.3-179.6178.570.900112.6A194 V195 V196 H201 Y202 M315 W318 P364 S405A194-M198 WeakPolarHBondContact O-CB 3.27Å; A194-M198 PolarHBondContact O-N 2.88Å; V195-M198 PolarHBondContact O-N 3.28Å; V196-M198 VanDerWaalsContact C-N 3.3Å; V196-M198 PolarHBondContact O-N 3.48Å; M198-H201 PolarHBondContact O-N 3.16Å; M198-Y202 WeakPolarHBondContact O-CB 3.45Å; M198-Y202 PolarHBondContact O-N 2.9Å; M198-M315 HydrophobicContact CE-SD 4.39Å; M198-W318 HydrophobicContact CE-CB 4.44Å; M198-W318 HydrophobicContact CE-CD2 3.56Å; M198-W318 VanDerWaalsContact CE-CE2 3.45Å; M198-W318 HydrophobicContact CE-CE3 4.24Å; M198-W318 HydrophobicContact CE-CG 3.62Å; M198-W318 HydrophobicContact CE-CZ2 4.04Å; M198-W318 HydrophobicContact SD-CD2 4.45Å; M198-W318 HydrophobicContact SD-CH2 4.35Å; M198-W318 HydrophobicContact SD-CZ2 3.94Å; M198-P364 HydrophobicContact CG-CG 3.72Å; M198-P364 HydrophobicContact SD-CG 3.92Å; M198-S405 WeakPolarHBondContact CA-O 2.66Å; M198-S405 VanDerWaalsContact CB-O 3.29Å; M198-S405 WeakPolarHBondContact CB-O 2.94Å
199I95Very high85.6Confident1 Ų125.9 Ų25.91%0.00513%0.129CC..Hα-helixtrans-69.8-35.7177.1-171.665.6000111.6V195 V196 H201 Y202 L203 F278 W300 L303 V311 M314 M315V195-I199 WeakPolarHBondContact O-CG2 3.43Å; V195-I199 PolarHBondContact O-N 3.39Å; V196-I199 WeakPolarHBondContact O-CG2 3.48Å; V196-I199 PolarHBondContact O-N 3.26Å; I199-H201 VanDerWaalsContact C-N 3.33Å; I199-H201 PolarHBondContact O-N 3.19Å; I199-Y202 HydrophobicContact CD1-CD1 3.8Å; I199-Y202 PolarHBondContact O-N 2.89Å; I199-L203 HydrophobicContact CD1-CD1 4.25Å; I199-L203 HydrophobicContact CD1-CD2 4.32Å; I199-L203 HydrophobicContact CD1-CG 3.96Å; I199-L203 HydrophobicContact CG1-CD1 3.97Å; I199-L203 HydrophobicContact CG1-CG 4.06Å; I199-L203 WeakPolarHBondContact O-CB 3.28Å; I199-L203 VanDerWaalsContact O-CG 3.3Å; I199-L203 WeakPolarHBondContact O-CG 3.35Å; I199-L203 PolarHBondContact O-N 3.42Å; I199-F278 HydrophobicContact CG2-CD2 4.33Å; I199-F278 HydrophobicContact CG2-CE2 3.82Å; I199-W300 HydrophobicContact CG2-CZ3 4.39Å; I199-L303 HydrophobicContact CG1-CD1 4.3Å; I199-V311 HydrophobicContact CD1-CB 4.44Å; I199-V311 HydrophobicContact CD1-CG1 3.82Å; I199-V311 HydrophobicContact CD1-CG2 4.14Å; I199-V311 HydrophobicContact CG1-CG1 4.24Å; I199-M314 HydrophobicContact CD1-CE 3.4Å; I199-M314 VanDerWaalsContact CD1-CE 3.4Å; I199-M315 HydrophobicContact CB-CE 3.72Å; I199-M315 HydrophobicContact CB-SD 3.93Å; I199-M315 HydrophobicContact CD1-CG 4.03Å; I199-M315 HydrophobicContact CD1-SD 3.92Å; I199-M315 HydrophobicContact CG1-CE 4.35Å; I199-M315 HydrophobicContact CG1-CG 4.39Å; I199-M315 HydrophobicContact CG1-SD 4.22Å; I199-M315 HydrophobicContact CG2-CE 3.95Å
200E93.2Very high83.7Confident14 Ų1430.3 Ų30.37%0.06515%0.15CC..Hα-helixtrans-56.2-48172.3-178.9-173.9-156.100111W131 K135 V196 N197 L203 G204 F278W131-E200 WeakPolarHBondContact CZ2-OE2 3.37Å; W131-E200 PolarHBondContact NE1-OE2 3.2Å; K135-E200 WeakPolarHBondContact CE-OE2 3.28Å; K135-E200 VanDerWaalsContact NZ-CD 3.31Å; K135-E200 IonicContact NZ-OE1 3.76Å; K135-E200 PolarHBondContact NZ-OE1 3.35Å; K135-E200 IonicContact NZ-OE2 3.12Å; K135-E200 PolarHBondContact NZ-OE2 3.43Å; V196-E200 PolarHBondContact O-N 2.74Å; N197-E200 PolarHBondContact O-N 3.04Å; E200-L203 PolarHBondContact O-N 3.09Å; E200-G204 PolarHBondContact O-N 2.96Å; E200-F278 HydrophobicContact CB-CD1 4.04Å; E200-F278 HydrophobicContact CB-CD2 4.2Å; E200-F278 HydrophobicContact CB-CE1 4.26Å; E200-F278 HydrophobicContact CB-CE2 4.41Å; E200-F278 HydrophobicContact CB-CG 4.02Å; E200-F278 HydrophobicContact CB-CZ 4.44Å; E200-F278 HydrophobicContact CG-CB 4.42Å; E200-F278 HydrophobicContact CG-CD1 3.86Å; E200-F278 HydrophobicContact CG-CE1 4.35Å; E200-F278 HydrophobicContact CG-CG 4.09Å
201H90.7Very high81.6Confident80 Ų8035.3 Ų35.337%0.3717%0.173SC..Hα-helixtrans-66.7-38.4178.7-77.979.3000112.9N197 M198 I199 G204N197-H201 PolarHBondContact O-N 3.29Å; N197-H201 VanDerWaalsContact O-N 3.09Å; N197-H201 PolarHBondContact O-ND1 3.21Å; N197-H201 PolarHBondContact OD1-CE1 3.48Å; N197-H201 PolarHBondContact OD1-ND1 2.86Å; M198-H201 PolarHBondContact O-N 3.16Å; I199-H201 VanDerWaalsContact C-N 3.33Å; I199-H201 PolarHBondContact O-N 3.19Å; H201-G204 PolarHBondContact O-N 3.35Å
202Y92.4Very high79.3Confident34 Ų3436.9 Ų36.913%0.13318%0.18CC..Hα-helixtrans-67.7-37.4177.4173.4-106000112.4M198 I199 K309 E310 M314 P364 V377 L379M198-Y202 WeakPolarHBondContact O-CB 3.45Å; M198-Y202 PolarHBondContact O-N 2.9Å; I199-Y202 HydrophobicContact CD1-CD1 3.8Å; I199-Y202 PolarHBondContact O-N 2.89Å; Y202-K309 HydrophobicContact CE1-CB 4.1Å; Y202-K309 HydrophobicContact CE1-CD 4.38Å; Y202-K309 PolarHBondContact O-NZ 3.4Å; Y202-E310 VanDerWaalsContact CE1-O 3.29Å; Y202-E310 WeakPolarHBondContact CE1-O 3.49Å; Y202-E310 PolarHBondContact OH-O 3.42Å; Y202-M314 HydrophobicContact CD1-CE 3.56Å; Y202-M314 HydrophobicContact CD1-SD 4.43Å; Y202-M314 HydrophobicContact CE1-CE 3.93Å; Y202-M314 HydrophobicContact CE1-SD 4.47Å; Y202-M314 HydrophobicContact CG-CE 3.91Å; Y202-M314 HydrophobicContact CG-SD 4.48Å; Y202-P364 HydrophobicContact CD2-CB 3.77Å; Y202-P364 HydrophobicContact CG-CB 4.34Å; Y202-V377 HydrophobicContact CD2-CG1 4.36Å; Y202-L379 HydrophobicContact CE2-CD1 4.26Å
203L91.1Very high77Confident2 Ų242.6 Ų42.61%0.0120%0.202CC..Hα-helixtrans-78.5-24.5177.2-65.2-171.7000112.8I199 E200 F278 L303 S307 K309 V311I199-L203 HydrophobicContact CD1-CD1 4.25Å; I199-L203 HydrophobicContact CD1-CD2 4.32Å; I199-L203 HydrophobicContact CD1-CG 3.96Å; I199-L203 HydrophobicContact CG1-CD1 3.97Å; I199-L203 HydrophobicContact CG1-CG 4.06Å; I199-L203 WeakPolarHBondContact O-CB 3.28Å; I199-L203 VanDerWaalsContact O-CG 3.3Å; I199-L203 WeakPolarHBondContact O-CG 3.35Å; I199-L203 PolarHBondContact O-N 3.42Å; E200-L203 PolarHBondContact O-N 3.09Å; L203-F278 HydrophobicContact CB-CB 4.24Å; L203-F278 HydrophobicContact CD1-CB 4.37Å; L203-F278 HydrophobicContact CD1-CD2 4.2Å; L203-L303 HydrophobicContact CD1-CB 4.19Å; L203-L303 HydrophobicContact CD1-CD1 4.4Å; L203-L303 HydrophobicContact CD1-CD2 4.48Å; L203-S307 WeakPolarHBondContact CD2-OG 3.42Å; L203-K309 HydrophobicContact CD2-CB 3.92Å; L203-K309 HydrophobicContact CD2-CD 3.73Å; L203-K309 HydrophobicContact CD2-CG 4.39Å; L203-K309 PolarHBondContact O-NZ 3.46Å; L203-V311 HydrophobicContact CD1-CG2 4.3Å; L203-V311 HydrophobicContact CD2-CG2 3.78Å
204G79.9Confident74.4Confident12 Ų1248.2 Ų48.212%0.12423%0.228CC..SBendtrans-60.6165.9176.200000115.3E200 H201 K309E200-G204 PolarHBondContact O-N 2.96Å; H201-G204 PolarHBondContact O-N 3.35Å; G204-K309 PolarHBondContact O-NZ 3.37Å
205E62.1Low71.7Confident93 Ų9353.7 Ų53.744%0.43525%0.249SC..PPolyproline II helixtrans-79.8156.3172.8-64.9176.3-168.600110.8V207 R276E205-V207 PolarHBondContact O-N 2.91Å; E205-R276 IonicContact OE1-NH2 3.82Å
206E58.9Low69Low128 Ų12856.3 Ų56.360%0.59826%0.263SS*.PPolyproline II helixtrans-61.1121.2176.8-70.9-167.5176.600111S374E206-S374 PolarHBondContact OE2-OG 2.92Å
207V58.2Low65.9Low38 Ų3863.9 Ų63.923%0.2330%0.296CS..PPolyproline II helixtrans-88.8130.2178.2-174.60000109.3E205 Q211 Q212 S374 T375E205-V207 PolarHBondContact O-N 2.91Å; V207-Q211 HydrophobicContact CG1-CB 3.77Å; V207-Q212 HydrophobicContact CG1-CB 4.23Å; V207-Q212 HydrophobicContact CG1-CG 4.37Å; V207-S374 WeakPolarHBondContact O-CA 3.35Å; V207-S374 WeakPolarHBondContact O-CB 3.45Å; V207-T375 PolarHBondContact O-N 3.43Å
208S55.9Low62.8Low42 Ų4270.3 Ų70.329%0.29433%0.326SS..BIsolated β-bridgetrans-61143.4174.7176.30000110.8K210 Q211 Q212 E373S208-K210 PolarHBondContact O-N 3.49Å; S208-K210 VanDerWaalsContact O-N 3.13Å; S208-K210 PolarHBondContact OG-N 3.01Å; S208-Q211 WeakPolarHBondContact O-CB 3.41Å; S208-Q211 PolarHBondContact O-N 3.26Å; S208-Q212 PolarHBondContact O-N 2.96Å; S208-E373 PolarHBondContact OG-O 2.82Å
209I57.2Low59.5Low19 Ų1974.9 Ų74.910%0.09736%0.355CS..Hα-helixtrans-57.5-32.2177-62.9-172.9000111.7Q212 R213 M368 S369 F372 E373I209-Q212 PolarHBondContact O-N 3.42Å; I209-R213 WeakPolarHBondContact O-CG 3.29Å; I209-R213 PolarHBondContact O-N 3.31Å; I209-R213 VanDerWaalsContact O-N 3.11Å; I209-M368 HydrophobicContact CD1-CB 4.45Å; I209-M368 HydrophobicContact CG2-CE 4.43Å; I209-S369 VanDerWaalsContact CD1-O 3.23Å; I209-S369 WeakPolarHBondContact CD1-O 3.44Å; I209-F372 HydrophobicContact CD1-CB 4.2Å; I209-F372 WeakPolarHBondContact CD1-O 3.31Å; I209-E373 PolarHBondContact N-O 3.18Å
210K54.8Low56.5Low158 Ų15882.8 Ų82.869%0.68739%0.392SS*.Hα-helixtrans-65.1-50174.5-75.8-173.7177.4-179.30111.5S208 Q212 R213 E214S208-K210 PolarHBondContact O-N 3.49Å; S208-K210 VanDerWaalsContact O-N 3.13Å; S208-K210 PolarHBondContact OG-N 3.01Å; K210-Q212 VanDerWaalsContact C-N 3.27Å; K210-Q212 PolarHBondContact O-N 3.45Å; K210-R213 WeakPolarHBondContact O-CB 3.37Å; K210-R213 PolarHBondContact O-N 2.87Å; K210-R213 VanDerWaalsContact O-N 3.17Å; K210-E214 PolarHBondContact O-N 2.8Å
211Q52.7Low53.2Low108 Ų10887.4 Ų87.451%0.50542%0.422SS..Hα-helixtrans-60.3-38.9176.2-74.8174.8-28.700111.1V207 S208 R213 E214 Y215V207-Q211 HydrophobicContact CG1-CB 3.77Å; S208-Q211 WeakPolarHBondContact O-CB 3.41Å; S208-Q211 PolarHBondContact O-N 3.26Å; Q211-R213 VanDerWaalsContact C-N 3.29Å; Q211-R213 PolarHBondContact O-N 2.99Å; Q211-E214 CarbonylContact O-C 3.51Å; Q211-E214 PolarHBondContact O-N 3.46Å; Q211-E214 VanDerWaalsContact O-N 3.14Å; Q211-Y215 VanDerWaalsContact O-CB 3.27Å; Q211-Y215 WeakPolarHBondContact O-CB 3.25Å; Q211-Y215 PolarHBondContact O-N 3.12Å
212Q49.9Very low50Low34 Ų3491.8 Ų91.816%0.15944%0.442CS..Hα-helixtrans-67.5-30.2179.6-140.6166.910.900113V207 S208 I209 K210 N216 T375 V402V207-Q212 HydrophobicContact CG1-CB 4.23Å; V207-Q212 HydrophobicContact CG1-CG 4.37Å; S208-Q212 PolarHBondContact O-N 2.96Å; I209-Q212 PolarHBondContact O-N 3.42Å; K210-Q212 VanDerWaalsContact C-N 3.27Å; K210-Q212 PolarHBondContact O-N 3.45Å; Q212-N216 PolarHBondContact O-ND2 3.14Å; Q212-T375 VanDerWaalsContact CD-OG1 3.3Å; Q212-T375 PolarHBondContact NE2-OG1 3.35Å; Q212-T375 PolarHBondContact OE1-OG1 2.87Å; Q212-V402 VanDerWaalsContact NE2-CG1 3.29Å
213R49Very low46.8Very low120 Ų12098.2 Ų98.245%0.45347%0.471SS..Hα-helixtrans-71.2-41.8169.6-74.7177.5172.2-176.5-3.2111.4I209 K210 Q211 F217I209-R213 WeakPolarHBondContact O-CG 3.29Å; I209-R213 PolarHBondContact O-N 3.31Å; I209-R213 VanDerWaalsContact O-N 3.11Å; K210-R213 WeakPolarHBondContact O-CB 3.37Å; K210-R213 PolarHBondContact O-N 2.87Å; K210-R213 VanDerWaalsContact O-N 3.17Å; Q211-R213 VanDerWaalsContact C-N 3.29Å; Q211-R213 PolarHBondContact O-N 2.99Å; R213-F217 WeakPolarHBondContact O-CB 3.35Å
214E41.4Very low43.5Very low117 Ų117102.7 Ų102.755%0.54750%0.503SS..Hα-helixtrans-72.5-31.7178.6-72.1170.1-177.800113.2K210 Q211 N216 F217 Q218K210-E214 PolarHBondContact O-N 2.8Å; Q211-E214 CarbonylContact O-C 3.51Å; Q211-E214 PolarHBondContact O-N 3.46Å; Q211-E214 VanDerWaalsContact O-N 3.14Å; E214-N216 VanDerWaalsContact C-N 3.29Å; E214-N216 PolarHBondContact O-N 3.41Å; E214-F217 CarbonylContact O-C 3.54Å; E214-F217 WeakPolarHBondContact O-CA 3.49Å; E214-F217 PolarHBondContact O-N 3.25Å; E214-Q218 VanDerWaalsContact O-CG 3.31Å; E214-Q218 WeakPolarHBondContact O-CG 3.25Å; E214-Q218 PolarHBondContact O-N 3.36Å
215Y41.5Very low40.8Very low119 Ų119110.3 Ų110.347%0.46753%0.533SS..Hα-helixtrans-66.5-34.1177.6-150.9-85.2000111.5Q211 F217 P272Q211-Y215 VanDerWaalsContact O-CB 3.27Å; Q211-Y215 WeakPolarHBondContact O-CB 3.25Å; Q211-Y215 PolarHBondContact O-N 3.12Å; Y215-F217 PolarHBondContact O-N 2.91Å; Y215-P272 HydrophobicContact CE2-CB 3.73Å; Y215-P272 HydrophobicContact CE2-CG 3.53Å; Y215-P272 WeakPolarHBondContact OH-CG 3.14Å
216N38.8Very low38.8Very low55 Ų55111 Ų11129%0.29455%0.546SS..THydrogen-bonded Turntrans-80.41.3170.4-70.1-52.7000112.8Q212 E214Q212-N216 PolarHBondContact O-ND2 3.14Å; E214-N216 VanDerWaalsContact C-N 3.29Å; E214-N216 PolarHBondContact O-N 3.41Å
217F32.6Very low37Very low159 Ų159109.4 Ų109.470%0.69756%0.555SS**THydrogen-bonded Turntrans-140.734.1-172.8-109.9-82.5000112.4R213 E214 Y215 P219R213-F217 WeakPolarHBondContact O-CB 3.35Å; E214-F217 CarbonylContact O-C 3.54Å; E214-F217 WeakPolarHBondContact O-CA 3.49Å; E214-F217 PolarHBondContact O-N 3.25Å; Y215-F217 PolarHBondContact O-N 2.91Å; F217-P219 WeakPolarHBondContact O-CD 3.18Å
218Q27.7Very low35.4Very low142 Ų142111.9 Ų111.966%0.66457%0.574SS**  trans-92.693.4169.4-75.7-129.1-24.200111E214E214-Q218 VanDerWaalsContact O-CG 3.31Å; E214-Q218 WeakPolarHBondContact O-CG 3.25Å; E214-Q218 PolarHBondContact O-N 3.36Å
219P27.4Very low33.8Very low97 Ų97114.3 Ų114.363%0.6360%0.597SS**  trans-86.4143.4148.436.6-29.8000109.2F217F217-P219 WeakPolarHBondContact O-CD 3.18Å
220Q30.7Very low32.1Very low167 Ų167121.8 Ų121.878%0.7863%0.629SS**  trans77.176.3160-55.2-177.8-1.800117.2
221V25Very low30.6Very low112 Ų112118.9 Ų118.968%0.67963%0.628SS**  trans-83.7103.5131.8-174.50000105.9F223V221-F223 PolarHBondContact O-N 3.09Å
222E21.9Very low29.3Very low171 Ų171121 Ų12180%0.79964%0.643SS**  trans-60.2100.5171.3-89.1-172.5149.400109.2S224E222-S224 PolarHBondContact O-N 3.4Å
223F25.4Very low28.1Very low169 Ų169130 Ų13074%0.74168%0.675SS**  trans-77.8101.3148.9-85.8-83000107V221 F225V221-F223 PolarHBondContact O-N 3.09Å; F223-F225 PolarHBondContact O-N 3.29Å
224S22.3Very low26.9Very low97 Ų97133.9 Ų133.968%0.67870%0.695SS**  trans-59112.416678.40000107.2E222 C226E222-S224 PolarHBondContact O-N 3.4Å; S224-C226 PolarHBondContact O-N 3.43Å
225F22.6Very low26.4Very low172 Ų172138 Ų13875%0.75471%0.711SS**  trans-59.496.6159.5-93.4-94.3000106.4F223 A227F223-F225 PolarHBondContact O-N 3.29Å; F225-A227 PolarHBondContact O-N 3.11Å
226C21Very low25.7Very low107 Ų107139.7 Ų139.772%0.72373%0.728SS**  trans-7184.8165.6-1330000105.6S224 S228S224-C226 PolarHBondContact O-N 3.43Å; C226-S228 PolarHBondContact O-N 3.43Å
227A21.8Very low25.3Very low95 Ų95142.7 Ų142.779%0.78575%0.754SS**  trans-65.372.9160.200000107.3F225 A229F225-A227 PolarHBondContact O-N 3.11Å; A227-A229 PolarHBondContact O-N 2.91Å
228S23.1Very low24.9Very low90 Ų90139.6 Ų139.663%0.62976%0.757SS**  trans-69.189.8163.945.60000106.6C226 F230C226-S228 PolarHBondContact O-N 3.43Å; S228-F230 VanDerWaalsContact C-N 3.28Å; S228-F230 PolarHBondContact O-N 3.43Å
229A22.4Very low24.9Very low93 Ų93141.2 Ų141.277%0.76977%0.77SS**  trans-52.695.316200000108.3A227 S231A227-A229 PolarHBondContact O-N 2.91Å; A229-S231 PolarHBondContact O-N 3.23Å
230F22.6Very low24.7Very low176 Ų176141.1 Ų141.177%0.77277%0.772SS**  trans-70.884.4161.8-106.4-85.2000107.9S228 L232S228-F230 VanDerWaalsContact C-N 3.28Å; S228-F230 PolarHBondContact O-N 3.43Å; F230-L232 HydrophobicContact CD1-CG 4.44Å; F230-L232 PolarHBondContact O-N 3.34Å
231S22Very low24.5Very low96 Ų96140.4 Ų140.467%0.67178%0.778SS**  trans-61.384.7154.9176.60000108.1A229 R233A229-S231 PolarHBondContact O-N 3.23Å; S231-R233 VanDerWaalsContact C-N 3.26Å; S231-R233 PolarHBondContact O-N 3.44Å
232L25.7Very low24.5Very low154 Ų154144.2 Ų144.281%0.80679%0.786SS**  trans-7490.2162.6-88.3163.8000107.9F230 K234F230-L232 HydrophobicContact CD1-CG 4.44Å; F230-L232 PolarHBondContact O-N 3.34Å; L232-K234 PolarHBondContact O-N 3.11Å
233R26Very low24.7Very low222 Ų222141.1 Ų141.184%0.83879%0.79SS**  trans-56.1126.3162.9-74.9-175.1-177.6-162.70.5109S231 K235S231-R233 VanDerWaalsContact C-N 3.26Å; S231-R233 PolarHBondContact O-N 3.44Å; R233-K235 PolarHBondContact O-N 3.48Å
234K23.7Very low24.7Very low202 Ų202136.8 Ų136.888%0.87879%0.793SS**  trans-45.2125.5154-77.7178.5171.1179.20109.7L232L232-K234 PolarHBondContact O-N 3.11Å
235K29.6Very low24.8Very low202 Ų202140.5 Ų140.588%0.87880%0.803SS**  trans-163.2135.4134.2-109.2176.7-175.1-171.90111.4R233R233-K235 PolarHBondContact O-N 3.48Å
236D27.3Very low25Very low155 Ų155144 Ų14483%0.82981%0.811SS**  trans-56146.8-179.3-51.7-74.4000113.6
237S31Very low25.2Very low119 Ų119150.5 Ų150.583%0.83282%0.821SS**  172.8142.2105.359.10000111.1
238A23.9Very low25.5Very low93 Ų93155.8 Ų155.877%0.76983%0.826SS**  trans-67.8149.7-176.300000113.9
239L27.8Very low25.5Very low176 Ų176156 Ų15692%0.92183%0.833SS**  trans-161.4132.3134.5-107.9147.1000111.6
240S22.9Very low25.8Very low96 Ų96159 Ų15967%0.67184%0.835SS**  trans-71.3146.5-175.858.70000114.1
241V27.4Very low25.9Very low152 Ų152161.2 Ų161.292%0.92185%0.845SS**  trans-139.9132.3137.3-178.50000109.7
242K24.9Very low26.2Very low191 Ų191160.2 Ų160.283%0.8384%0.842SS**  trans-81158-174.5-78173.1168174.30113.5
243A25.9Very low26.2Very low107 Ų107164.7 Ų164.788%0.88485%0.848SS**  trans85.9130.713700000120.3
244G25.4Very low26.2Very low78 Ų78160.8 Ų160.880%0.80484%0.844SS**  trans141.464.3144.400000117.2R246G244-R246 PolarHBondContact O-N 3.34Å
245I24.6Very low26.3Very low174 Ų174160.2 Ų160.289%0.89285%0.845SS**  trans-68.9111.8162.3-65.5171.3000108.3
246R26.1Very low26.2Very low245 Ų245158.1 Ų158.193%0.92584%0.836SS**  trans-147.8115.4154.8-95.2-171.1176.9178.8-1.2111.2G244G244-R246 PolarHBondContact O-N 3.34Å
247R25Very low26.2Very low245 Ų245157.3 Ų157.393%0.92584%0.841SS**  trans-55.2132159.7-76.2176.8172.8176-3109.8
248K27.7Very low25.9Very low206 Ų206156.7 Ų156.790%0.89684%0.836SS**  trans-162.4135.1142.8-110.8175.8-177.3-172.90110.6
249A24.6Very low26Very low95 Ų95157.7 Ų157.779%0.78583%0.833SS**  trans-58145.1177.900000112.9
250L27Very low26.1Very low156 Ų156160 Ų16082%0.81783%0.831SS**  trans-147.190.2160.6-101.3142000108A252L250-A252 HydrophobicContact CD2-CB 3.92Å
251F24.6Very low26.3Very low222 Ų222164.3 Ų164.397%0.97485%0.846SS**  trans-78.6101.8145.3-89-87.7000105.6
252A29.2Very low26.1Very low74 Ų74159.7 Ų159.761%0.61283%0.829SS**  trans-122.2120.8164.600000107.2L250 D254L250-A252 HydrophobicContact CD2-CB 3.92Å; A252-D254 PolarHBondContact O-N 3.43Å
253R25.6Very low26.2Very low248 Ų248159.5 Ų159.594%0.93683%0.831SS**  trans-56.1120.8167.8-81.2174.4166.4175.2-6108.3
254D26.8Very low26.4Very low141 Ų141161.8 Ų161.875%0.75483%0.828SS**  trans-108.3107.2168.2-129.6-17.5000108.5A252 K256A252-D254 PolarHBondContact O-N 3.43Å; D254-K256 PolarHBondContact O-N 2.94Å
255E25.5Very low26.3Very low189 Ų189163.9 Ų163.988%0.88383%0.83SS**  trans-75.760.5172.3-78.2179.9149.400110.6
256K26.7Very low26.3Very low158 Ų158158.5 Ų158.569%0.68782%0.817SS**  trans-133.930.9175.9-79.6-167.8177.1-179.20114.8D254 S258D254-K256 PolarHBondContact O-N 2.94Å; K256-S258 VanDerWaalsContact C-N 3.35Å; K256-S258 PolarHBondContact O-N 3.49Å
257C26.8Very low26.3Very low139 Ų139157.6 Ų157.694%0.93982%0.815SS**THydrogen-bonded Turntrans-91.947.1168.9-81.80000113.3
258S25.9Very low26.3Very low106 Ų106151 Ų15174%0.74181%0.806SS**THydrogen-bonded Turntrans-141.113176.265.90000116.2K256K256-S258 VanDerWaalsContact C-N 3.35Å; K256-S258 PolarHBondContact O-N 3.49Å
259T25.4Very low26.5Very low114 Ų114144.9 Ų144.970%0.69979%0.786SS**SBendtrans-138.526-175.223.90000116.1
260Y29.2Very low26.6Very low224 Ų224149 Ų14988%0.87879%0.789SS**  trans-11656.5169.6-88.7-84.9000112
261L27.5Very low27Very low187 Ų187144.9 Ų144.998%0.97976%0.763SS**  trans-118.520167.6-85.1172000112.3
262G24.8Very low27.7Very low55 Ų55136.9 Ų136.957%0.56773%0.733SS**SBendtrans-124.8131.6173.900000109.9
263E25.8Very low28.2Very low186 Ų186139.2 Ų139.287%0.86973%0.731SS**  trans83.959171.1-53.5-178.1172.800117.4
264L29.5Very low29.5Very low156 Ų156129.2 Ų129.282%0.81770%0.699SS**  trans-127.458.9148.6-76.4173.1000110
265S24.4Very low31.7Very low122 Ų122122.6 Ų122.685%0.85366%0.664SS**  trans-101.589.3166.159.70000108.2
266G25Very low34.4Very low60 Ų60120 Ų12062%0.61965%0.646SS**SBendtrans-159.6-15.9-177.500000116.7
267Y25.5Very low37.3Very low227 Ų227115 Ų11589%0.8963%0.628SS**  trans-141.494.6177.9-66.4-82.3000109.7
268S24.5Very low40.4Very low105 Ų105108.4 Ų108.473%0.73458%0.583SS**  trans-100.6101.3166.7580000108.4E270S268-E270 PolarHBondContact O-N 3.05Å
269V33.2Very low43.5Very low79 Ų79104.8 Ų104.848%0.47955%0.553SS.*  trans-68108.3157.5178.60000105.4W271V269-W271 VanDerWaalsContact C-N 3.31Å; V269-W271 HydrophobicContact CG1-CD2 4.34Å; V269-W271 HydrophobicContact CG1-CZ2 3.98Å; V269-W271 PolarHBondContact O-N 2.63Å
270E25.8Very low46.6Very low180 Ų180101.4 Ų101.484%0.84154%0.537SS*.  trans-69.691.8174.8-79.1-167.3162.300108.7S268S268-E270 PolarHBondContact O-N 3.05Å
271W36.2Very low49.6Very low70 Ų7090.7 Ų90.727%0.26550%0.495SS..  trans-68.5144.3168.8-64.992.7000109.6F51 E139 V269 Q273 R279F51-W271 HydrophobicContact CD2-CH2 4.07Å; F51-W271 HydrophobicContact CD2-CZ2 4.29Å; F51-W271 AromaticContact CE2-CH2 3.39Å; F51-W271 HydrophobicContact CE2-CH2 3.39Å; F51-W271 AromaticContact CE2-CZ2 3.87Å; F51-W271 HydrophobicContact CE2-CZ2 3.87Å; F51-W271 HydrophobicContact CE2-CZ3 4.24Å; F51-W271 HydrophobicContact CZ-CH2 4.29Å; E139-W271 HydrophobicContact CB-CH2 4.42Å; E139-W271 HydrophobicContact CG-CH2 3.95Å; E139-W271 WeakPolarHBondContact OE2-CH2 3.48Å; E139-W271 WeakPolarHBondContact OE2-CZ3 3.42Å; V269-W271 VanDerWaalsContact C-N 3.31Å; V269-W271 HydrophobicContact CG1-CD2 4.34Å; V269-W271 HydrophobicContact CG1-CZ2 3.98Å; V269-W271 PolarHBondContact O-N 2.63Å; W271-Q273 PolarHBondContact O-N 3.39Å; W271-R279 VanDerWaalsContact CD1-NH1 3.28Å
272P38.5Very low52.8Low54 Ų5481.8 Ų81.835%0.35145%0.448SS..  trans-51.5138.9175.416.6-27.8000110.9Y215 S274Y215-P272 HydrophobicContact CE2-CB 3.73Å; Y215-P272 HydrophobicContact CE2-CG 3.53Å; Y215-P272 WeakPolarHBondContact OH-CG 3.14Å; P272-S274 PolarHBondContact O-N 3.13Å
273Q40.1Very low56Low123 Ų12383.8 Ų83.858%0.57544%0.438SS*.SBendtrans-57.4-20-174-73.4-176.7-23.900113.6W271 G275 R276W271-Q273 PolarHBondContact O-N 3.39Å; Q273-G275 PolarHBondContact O-N 3.44Å; Q273-R276 PolarHBondContact O-N 3.39Å
274S52.8Low59.3Low38 Ų3878.4 Ų78.427%0.26641%0.413SS..THydrogen-bonded Turntrans-60.3114.4174.657.20000111.3P272P272-S274 PolarHBondContact O-N 3.13Å
275G72.3Confident62.4Low2 Ų271.1 Ų71.12%0.02138%0.375CS..THydrogen-bonded Turntrans96.617.9175.700000114.9Q273 D277 F278 R279Q273-G275 PolarHBondContact O-N 3.44Å; G275-D277 PolarHBondContact O-N 2.96Å; G275-F278 PolarHBondContact O-N 3.48Å; G275-R279 WeakPolarHBondContact O-CB 3.04Å; G275-R279 PolarHBondContact O-N 3.01Å
276R81.6Confident65.7Low134 Ų13465.3 Ų65.351%0.50633%0.334SS..Hα-helixtrans-54.3-51175.9-165.3-172-54.6-171.99.9112.2E205 Q273 R279 A280E205-R276 IonicContact OE1-NH2 3.82Å; Q273-R276 PolarHBondContact O-N 3.39Å; R276-R279 PolarHBondContact O-N 3.5Å; R276-A280 WeakPolarHBondContact O-CB 3.4Å; R276-A280 PolarHBondContact O-N 3.38Å
277D89.3Confident69Low55 Ų5568.8 Ų68.829%0.29433%0.332SS..Hα-helixtrans-66.1-42.4-179.4-63.5-11.1000111.7G275 R279 A280 G281G275-D277 PolarHBondContact O-N 2.96Å; D277-R279 PolarHBondContact O-N 3.24Å; D277-A280 PolarHBondContact O-N 2.81Å; D277-G281 PolarHBondContact O-N 3.49Å
278F91.6Very high72.3Confident0 Ų061.4 Ų61.40%031%0.311CS..Hα-helixtrans-57.8-49.7174.8178.2-96.4000110.8F128 W131 V196 I199 E200 L203 G275 A280 G281 I282 L303F128-F278 HydrophobicContact CE1-CZ 4.37Å; W131-F278 HydrophobicContact CH2-CD1 4.44Å; W131-F278 AromaticContact CH2-CE1 3.54Å; W131-F278 HydrophobicContact CH2-CE1 3.54Å; W131-F278 HydrophobicContact CH2-CZ 4.31Å; W131-F278 AromaticContact CZ2-CE1 3.88Å; W131-F278 HydrophobicContact CZ2-CE1 3.88Å; W131-F278 HydrophobicContact CZ3-CE1 4.17Å; V196-F278 HydrophobicContact CG1-CE2 4.49Å; V196-F278 HydrophobicContact CG1-CZ 3.82Å; I199-F278 HydrophobicContact CG2-CD2 4.33Å; I199-F278 HydrophobicContact CG2-CE2 3.82Å; E200-F278 HydrophobicContact CB-CD1 4.04Å; E200-F278 HydrophobicContact CB-CD2 4.2Å; E200-F278 HydrophobicContact CB-CE1 4.26Å; E200-F278 HydrophobicContact CB-CE2 4.41Å; E200-F278 HydrophobicContact CB-CG 4.02Å; E200-F278 HydrophobicContact CB-CZ 4.44Å; E200-F278 HydrophobicContact CG-CB 4.42Å; E200-F278 HydrophobicContact CG-CD1 3.86Å; E200-F278 HydrophobicContact CG-CE1 4.35Å; E200-F278 HydrophobicContact CG-CG 4.09Å; L203-F278 HydrophobicContact CB-CB 4.24Å; L203-F278 HydrophobicContact CD1-CB 4.37Å; L203-F278 HydrophobicContact CD1-CD2 4.2Å; G275-F278 PolarHBondContact O-N 3.48Å; F278-A280 PolarHBondContact O-N 3.31Å; F278-G281 PolarHBondContact O-N 2.98Å; F278-I282 HydrophobicContact CD1-CG1 4.12Å; F278-I282 HydrophobicContact CE1-CD1 4.34Å; F278-I282 HydrophobicContact CE1-CG1 3.63Å; F278-I282 HydrophobicContact CE2-CD1 4.18Å; F278-I282 HydrophobicContact CE2-CG1 4.17Å; F278-I282 HydrophobicContact CZ-CD1 3.85Å; F278-I282 HydrophobicContact CZ-CG1 3.66Å; F278-I282 WeakPolarHBondContact O-CG1 3.13Å; F278-I282 PolarHBondContact O-N 3.01Å; F278-L303 HydrophobicContact CD2-CD1 4.23Å; F278-L303 HydrophobicContact CD2-CD2 4.32Å; F278-L303 HydrophobicContact CE2-CD1 4.09Å
279R89.7Confident75.6Confident29 Ų2958.2 Ų58.211%0.10928%0.283CS..Hα-helixtrans-63.7-42.8179.4-166.3-174.7-50.1-131.12.2111.9Y55 W271 G275 R276 D277 G281 I282 R283Y55-R279 HydrophobicContact CE1-CG 4.17Å; Y55-R279 VanDerWaalsContact CE2-CZ 3.45Å; W271-R279 VanDerWaalsContact CD1-NH1 3.28Å; G275-R279 WeakPolarHBondContact O-CB 3.04Å; G275-R279 PolarHBondContact O-N 3.01Å; R276-R279 PolarHBondContact O-N 3.5Å; D277-R279 PolarHBondContact O-N 3.24Å; R279-G281 VanDerWaalsContact C-N 3.3Å; R279-G281 PolarHBondContact O-N 3.03Å; R279-I282 PolarHBondContact O-N 3.35Å; R279-R283 VanDerWaalsContact O-CG 3.29Å; R279-R283 WeakPolarHBondContact O-CG 3.24Å; R279-R283 PolarHBondContact O-N 3.46Å
280A90.8Very high78.4Confident43 Ų4355.9 Ų55.936%0.35527%0.272SS..Hα-helixtrans-59.1-43.9175.400000111.2R276 D277 F278 R283 E284 V306R276-A280 WeakPolarHBondContact O-CB 3.4Å; R276-A280 PolarHBondContact O-N 3.38Å; D277-A280 PolarHBondContact O-N 2.81Å; F278-A280 PolarHBondContact O-N 3.31Å; A280-R283 PolarHBondContact O-N 3.41Å; A280-E284 PolarHBondContact O-N 3.42Å; A280-V306 HydrophobicContact CB-CG1 3.79Å
281G93.8Very high81.6Confident0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-66-39.3176.500000113.4D277 F278 R279 R283 E284 Y285 I302D277-G281 PolarHBondContact O-N 3.49Å; F278-G281 PolarHBondContact O-N 2.98Å; R279-G281 VanDerWaalsContact C-N 3.3Å; R279-G281 PolarHBondContact O-N 3.03Å; G281-R283 VanDerWaalsContact C-N 3.35Å; G281-R283 PolarHBondContact O-N 3.43Å; G281-E284 PolarHBondContact O-N 3.19Å; G281-Y285 WeakPolarHBondContact O-CB 3.15Å; G281-Y285 PolarHBondContact O-N 2.8Å; G281-I302 VanDerWaalsContact O-CG2 3.3Å; G281-I302 WeakPolarHBondContact O-CG2 3.29Å
282I93.8Very high84.3Confident0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-62.6-41172.9-68.7-52.7000111.9F56 F110 F128 F278 R279 Y285 L286 L299 L303F56-I282 HydrophobicContact CD1-CG2 4.05Å; F56-I282 HydrophobicContact CE1-CG2 3.9Å; F110-I282 HydrophobicContact CE2-CG2 4.14Å; F110-I282 HydrophobicContact CZ-CD1 4.42Å; F110-I282 HydrophobicContact CZ-CG2 3.69Å; F128-I282 HydrophobicContact CE1-CD1 3.56Å; F128-I282 HydrophobicContact CE1-CG1 4.45Å; F128-I282 HydrophobicContact CZ-CD1 3.78Å; F278-I282 HydrophobicContact CD1-CG1 4.12Å; F278-I282 HydrophobicContact CE1-CD1 4.34Å; F278-I282 HydrophobicContact CE1-CG1 3.63Å; F278-I282 HydrophobicContact CE2-CD1 4.18Å; F278-I282 HydrophobicContact CE2-CG1 4.17Å; F278-I282 HydrophobicContact CZ-CD1 3.85Å; F278-I282 HydrophobicContact CZ-CG1 3.66Å; F278-I282 WeakPolarHBondContact O-CG1 3.13Å; F278-I282 PolarHBondContact O-N 3.01Å; R279-I282 PolarHBondContact O-N 3.35Å; I282-Y285 PolarHBondContact O-N 2.83Å; I282-L286 HydrophobicContact CG2-CD1 4.21Å; I282-L286 WeakPolarHBondContact O-CG 2.91Å; I282-L286 PolarHBondContact O-N 3.35Å; I282-L299 HydrophobicContact CD1-CD1 3.93Å; I282-L303 HydrophobicContact CD1-CD2 4.4Å
283R92.5Very high87.1Confident96 Ų9654.3 Ų54.336%0.36227%0.27SS..Hα-helixtrans-63.6-43.9175.9-68.9-178.1178.4178.2-7.3111.5N54 Y55 F56 R279 A280 G281 Y285 L286 K287N54-R283 PolarHBondContact O-NH2 3.19Å; Y55-R283 PolarHBondContact O-NE 3.08Å; Y55-R283 PolarHBondContact O-NH2 2.94Å; F56-R283 WeakPolarHBondContact O-CD 3.39Å; F56-R283 VanDerWaalsContact O-CG 3.27Å; F56-R283 WeakPolarHBondContact O-CG 3.33Å; R279-R283 VanDerWaalsContact O-CG 3.29Å; R279-R283 WeakPolarHBondContact O-CG 3.24Å; R279-R283 PolarHBondContact O-N 3.46Å; A280-R283 PolarHBondContact O-N 3.41Å; G281-R283 VanDerWaalsContact C-N 3.35Å; G281-R283 PolarHBondContact O-N 3.43Å; R283-Y285 VanDerWaalsContact C-N 3.34Å; R283-L286 PolarHBondContact O-N 2.89Å; R283-K287 VanDerWaalsContact O-CB 3.25Å; R283-K287 WeakPolarHBondContact O-CB 3.44Å; R283-K287 PolarHBondContact O-N 2.71Å
284E94.4Very high89.8Confident73 Ų7348.4 Ų48.434%0.34124%0.243SC..Hα-helixtrans-66.8-36.6177.6-166.659.7-153.800111.7A280 G281 K287 T288 I302A280-E284 PolarHBondContact O-N 3.42Å; G281-E284 PolarHBondContact O-N 3.19Å; E284-K287 PolarHBondContact O-N 3.48Å; E284-K287 IonicContact OE1-NZ 3.28Å; E284-K287 IonicContact OE2-NZ 2.74Å; E284-K287 PolarHBondContact OE2-NZ 2.77Å; E284-T288 VanDerWaalsContact O-CB 3.22Å; E284-T288 WeakPolarHBondContact O-CB 3.3Å; E284-T288 PolarHBondContact O-N 3.06Å; E284-T288 PolarHBondContact O-OG1 2.87Å; E284-I302 HydrophobicContact CB-CG2 3.98Å; E284-I302 HydrophobicContact CG-CG2 4.31Å
285Y95.5Very high91.9Very high3 Ų348.5 Ų48.51%0.01224%0.24CC..Hα-helixtrans-59.8-53.2172.9172.2-95000112F110 A114 G281 I282 R283 K287 T288 Y289 A294 L299 I302F110-Y285 HydrophobicContact CE1-CD1 4.27Å; F110-Y285 HydrophobicContact CE1-CE1 4.04Å; A114-Y285 HydrophobicContact CB-CE1 4.1Å; G281-Y285 WeakPolarHBondContact O-CB 3.15Å; G281-Y285 PolarHBondContact O-N 2.8Å; I282-Y285 PolarHBondContact O-N 2.83Å; R283-Y285 VanDerWaalsContact C-N 3.34Å; Y285-K287 VanDerWaalsContact C-N 3.31Å; Y285-K287 PolarHBondContact O-N 2.85Å; Y285-T288 PolarHBondContact O-N 3.16Å; Y285-Y289 AromaticContact CD2-CD2 3.72Å; Y285-Y289 HydrophobicContact CD2-CD2 3.72Å; Y285-Y289 HydrophobicContact CD2-CE2 4.03Å; Y285-Y289 AromaticContact CE2-CD2 3.83Å; Y285-Y289 HydrophobicContact CE2-CD2 3.83Å; Y285-Y289 HydrophobicContact CE2-CE2 4.21Å; Y285-Y289 HydrophobicContact CG-CD2 4.4Å; Y285-Y289 WeakPolarHBondContact O-CD2 3.24Å; Y285-Y289 PolarHBondContact O-N 2.73Å; Y285-A294 HydrophobicContact CE2-CB 3.65Å; Y285-A294 VanDerWaalsContact OH-CB 3.28Å; Y285-A294 WeakPolarHBondContact OH-CB 3.32Å; Y285-L299 HydrophobicContact CD1-CD1 4.42Å; Y285-L299 HydrophobicContact CD2-CB 4.04Å; Y285-L299 HydrophobicContact CD2-CD1 3.88Å; Y285-L299 HydrophobicContact CE2-CB 3.85Å; Y285-L299 HydrophobicContact CE2-CD1 4.29Å; Y285-L299 HydrophobicContact CG-CD1 3.94Å; Y285-I302 HydrophobicContact CD2-CD1 4.27Å
286L93.5Very high93.1Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-62.6-39-179.9-72173.2000111.9F56 M58 W109 F110 A114 I282 R283 A290F56-L286 HydrophobicContact CB-CD1 4.12Å; F56-L286 HydrophobicContact CD1-CD1 3.46Å; F56-L286 VanDerWaalsContact CD1-CD1 3.46Å; F56-L286 HydrophobicContact CD2-CD1 4.33Å; F56-L286 HydrophobicContact CE1-CD1 3.94Å; F56-L286 HydrophobicContact CG-CD1 3.71Å; M58-L286 HydrophobicContact CE-CB 4.49Å; M58-L286 HydrophobicContact SD-CB 3.57Å; M58-L286 VanDerWaalsContact SD-CB 3.57Å; M58-L286 HydrophobicContact SD-CD1 4.47Å; W109-L286 HydrophobicContact CB-CD1 4.12Å; W109-L286 HydrophobicContact CB-CD2 4.15Å; W109-L286 HydrophobicContact CG-CD1 4.43Å; F110-L286 HydrophobicContact CD2-CD2 4.25Å; F110-L286 HydrophobicContact CE1-CD2 4.34Å; F110-L286 HydrophobicContact CE2-CD1 3.89Å; F110-L286 HydrophobicContact CE2-CD2 4.05Å; F110-L286 HydrophobicContact CE2-CG 4.26Å; F110-L286 HydrophobicContact CZ-CD1 4.27Å; F110-L286 HydrophobicContact CZ-CD2 4.11Å; F110-L286 HydrophobicContact CZ-CG 4.24Å; A114-L286 HydrophobicContact CB-CD2 4.09Å; I282-L286 HydrophobicContact CG2-CD1 4.21Å; I282-L286 WeakPolarHBondContact O-CG 2.91Å; I282-L286 PolarHBondContact O-N 3.35Å; R283-L286 PolarHBondContact O-N 2.89Å; L286-A290 WeakPolarHBondContact O-CA 3.17Å; L286-A290 WeakPolarHBondContact O-CB 3.49Å; L286-A290 PolarHBondContact O-N 3.01Å
287K92.9Very high93.8Very high133 Ų13344 Ų4458%0.57823%0.226SC*.Hα-helixtrans-65.6-43.5176.1179.3-174.6163-148.70112.1R283 E284 Y285R283-K287 VanDerWaalsContact O-CB 3.25Å; R283-K287 WeakPolarHBondContact O-CB 3.44Å; R283-K287 PolarHBondContact O-N 2.71Å; E284-K287 PolarHBondContact O-N 3.48Å; E284-K287 IonicContact OE1-NZ 3.28Å; E284-K287 IonicContact OE2-NZ 2.74Å; E284-K287 PolarHBondContact OE2-NZ 2.77Å; Y285-K287 VanDerWaalsContact C-N 3.31Å; Y285-K287 PolarHBondContact O-N 2.85Å
288T95.1Very high94.2Very high72 Ų7242.8 Ų42.844%0.44222%0.219SC..Hα-helixtrans-68-41.7-177.9-61.80000111.8E284 Y285 I302E284-T288 VanDerWaalsContact O-CB 3.22Å; E284-T288 WeakPolarHBondContact O-CB 3.3Å; E284-T288 PolarHBondContact O-N 3.06Å; E284-T288 PolarHBondContact O-OG1 2.87Å; Y285-T288 PolarHBondContact O-N 3.16Å; T288-I302 HydrophobicContact CG2-CD1 4.4Å
289Y94.6Very high94.5Very high39 Ų3942.8 Ų42.815%0.15322%0.219CC..THydrogen-bonded Turntrans-103.215.5-175.2-63.5-79.9000113.9Y285 F291 S292 N293 A294 D298 I302Y285-Y289 AromaticContact CD2-CD2 3.72Å; Y285-Y289 HydrophobicContact CD2-CD2 3.72Å; Y285-Y289 HydrophobicContact CD2-CE2 4.03Å; Y285-Y289 AromaticContact CE2-CD2 3.83Å; Y285-Y289 HydrophobicContact CE2-CD2 3.83Å; Y285-Y289 HydrophobicContact CE2-CE2 4.21Å; Y285-Y289 HydrophobicContact CG-CD2 4.4Å; Y285-Y289 WeakPolarHBondContact O-CD2 3.24Å; Y285-Y289 PolarHBondContact O-N 2.73Å; Y289-F291 PolarHBondContact O-N 2.98Å; Y289-S292 WeakPolarHBondContact O-CB 3.35Å; Y289-S292 PolarHBondContact O-N 3.23Å; Y289-N293 WeakPolarHBondContact CD1-O 3.3Å; Y289-A294 HydrophobicContact CD1-CB 3.7Å; Y289-A294 HydrophobicContact CD2-CB 3.98Å; Y289-A294 HydrophobicContact CE1-CB 4.06Å; Y289-A294 HydrophobicContact CE2-CB 4.34Å; Y289-A294 HydrophobicContact CG-CB 3.66Å; Y289-D298 HydrophobicContact CE1-CB 4.25Å; Y289-D298 HydrophobicContact CE2-CB 3.82Å; Y289-D298 WeakPolarHBondContact OH-CB 3.37Å; Y289-D298 PolarHBondContact OH-OD1 3.01Å; Y289-I302 HydrophobicContact CD2-CD1 4.3Å; Y289-I302 HydrophobicContact CE2-CD1 3.7Å
290A91Very high94.9Very high30 Ų3041.5 Ų41.525%0.24821%0.214CC..THydrogen-bonded Turntrans-56128.4175.100000111.5L113 L286 S292L113-A290 HydrophobicContact CD1-CB 3.97Å; L113-A290 HydrophobicContact CG-CB 4.15Å; L286-A290 WeakPolarHBondContact O-CA 3.17Å; L286-A290 WeakPolarHBondContact O-CB 3.49Å; L286-A290 PolarHBondContact O-N 3.01Å; A290-S292 PolarHBondContact O-N 2.87Å
291F92.7Very high95.2Very high139 Ų13946.1 Ų46.161%0.6122%0.224SC*.THydrogen-bonded Turntrans58.921.9-175.6-49.3-76.5000114.6W72 L113 Y289W72-F291 AromaticContact CH2-CD1 3.89Å; W72-F291 HydrophobicContact CH2-CD1 3.89Å; W72-F291 AromaticContact CH2-CE1 3.68Å; W72-F291 HydrophobicContact CH2-CE1 3.68Å; W72-F291 HydrophobicContact CZ2-CE1 4.26Å; W72-F291 HydrophobicContact CZ3-CD1 4.47Å; L113-F291 HydrophobicContact CD1-CD1 3.99Å; L113-F291 HydrophobicContact CD1-CD2 4.07Å; L113-F291 HydrophobicContact CD1-CE1 3.73Å; L113-F291 HydrophobicContact CD1-CE2 3.82Å; L113-F291 HydrophobicContact CD1-CG 4.16Å; L113-F291 HydrophobicContact CD1-CZ 3.64Å; L113-F291 WeakPolarHBondContact O-CA 3.32Å; L113-F291 PolarHBondContact O-N 2.83Å; Y289-F291 PolarHBondContact O-N 2.98Å
292S94.7Very high95.3Very high61 Ų6146.6 Ų46.643%0.42723%0.226SC..EExtended strand (participates in β ladder)trans-132-169.9-177.5-163.60000111T115 Y289 A290T115-S292 PolarHBondContact N-O 3.46Å; Y289-S292 WeakPolarHBondContact O-CB 3.35Å; Y289-S292 PolarHBondContact O-N 3.23Å; A290-S292 PolarHBondContact O-N 2.87Å
293N96.5Very high95.4Very high70 Ų7046.6 Ų46.637%0.37423%0.226SC..EExtended strand (participates in β ladder)trans-118.2142179.7-60.593.4000112.2T115 M116 K117 Y289T115-N293 CarbonylContact O-C 3.48Å; T115-N293 WeakPolarHBondContact O-CA 3.1Å; M116-N293 PolarHBondContact O-ND2 2.94Å; M116-N293 VanDerWaalsContact O-ND2 3.13Å; K117-N293 HydrophobicContact CB-CB 4.37Å; K117-N293 HydrophobicContact CG-CB 3.68Å; Y289-N293 WeakPolarHBondContact CD1-O 3.3Å
294A96.5Very high95.6Very high0 Ų045.3 Ų45.30%022%0.224CC..EExtended strand (participates in β ladder)trans-133.2155.3177.100000112.4T115 M116 K117 Y285 Y289 D298T115-A294 PolarHBondContact O-N 2.91Å; M116-A294 CarbonylContact C-O 3.57Å; M116-A294 VanDerWaalsContact CA-O 3.24Å; M116-A294 WeakPolarHBondContact CA-O 3.37Å; K117-A294 PolarHBondContact N-O 2.8Å; Y285-A294 HydrophobicContact CE2-CB 3.65Å; Y285-A294 VanDerWaalsContact OH-CB 3.28Å; Y285-A294 WeakPolarHBondContact OH-CB 3.32Å; Y289-A294 HydrophobicContact CD1-CB 3.7Å; Y289-A294 HydrophobicContact CD2-CB 3.98Å; Y289-A294 HydrophobicContact CE1-CB 4.06Å; Y289-A294 HydrophobicContact CE2-CB 4.34Å; Y289-A294 HydrophobicContact CG-CB 3.66Å; A294-D298 VanDerWaalsContact CA-OD2 3.32Å; A294-D298 WeakPolarHBondContact CA-OD2 3.49Å; A294-D298 HydrophobicContact CB-CB 4.18Å
295D97Very high95.7Very high39 Ų3948.1 Ų48.121%0.20924%0.237CC..  trans-112.1-179.4168.758.543.9000111.6K117 D297 D298 L299K117-D295 HydrophobicContact CD-CB 4.07Å; K117-D295 WeakPolarHBondContact CD-OD2 3.49Å; K117-D295 IonicContact NZ-OD1 3.47Å; K117-D295 IonicContact NZ-OD2 3.28Å; K117-D295 PolarHBondContact NZ-OD2 3.43Å; D295-D297 VanDerWaalsContact C-N 3.29Å; D295-D297 PolarHBondContact O-N 2.75Å; D295-D297 WeakPolarHBondContact OD1-CA 3.15Å; D295-D297 WeakPolarHBondContact OD1-CB 3.28Å; D295-D297 PolarHBondContact OD1-N 3.05Å; D295-D298 PolarHBondContact N-OD2 2.67Å; D295-D298 WeakPolarHBondContact O-CB 3.44Å; D295-D298 PolarHBondContact O-N 3.48Å; D295-D298 PolarHBondContact OD1-N 3.13Å; D295-L299 PolarHBondContact O-N 3.45Å
296A96.7Very high95.7Very high1 Ų150.5 Ų50.51%0.00825%0.252CS..Hα-helixtrans-63.1-34.8179.900000112.7D121 W123 E171 D298 L299 W300D121-A296 WeakPolarHBondContact OD1-CB 3.48Å; D121-A296 PolarHBondContact OD1-N 3.18Å; W123-A296 HydrophobicContact CZ2-CB 3.91Å; E171-A296 HydrophobicContact CG-CB 4.43Å; A296-D298 VanDerWaalsContact C-N 3.34Å; A296-D298 PolarHBondContact O-N 2.94Å; A296-L299 PolarHBondContact O-N 2.89Å; A296-W300 PolarHBondContact O-N 3.08Å; A296-W300 PolarHBondContact O-NE1 3.2Å
297D97.3Very high95.6Very high42 Ų4251.4 Ų51.423%0.22526%0.258CS..Hα-helixtrans-66-38.4-179.8-91.45.2000111.6D295 W300 Y301 K312 R320D295-D297 VanDerWaalsContact C-N 3.29Å; D295-D297 PolarHBondContact O-N 2.75Å; D295-D297 WeakPolarHBondContact OD1-CA 3.15Å; D295-D297 WeakPolarHBondContact OD1-CB 3.28Å; D295-D297 PolarHBondContact OD1-N 3.05Å; D297-W300 PolarHBondContact O-N 3.36Å; D297-Y301 WeakPolarHBondContact O-CB 3.41Å; D297-Y301 PolarHBondContact O-N 2.94Å; D297-K312 VanDerWaalsContact CG-CE 3.44Å; D297-K312 VanDerWaalsContact OD1-CE 3.25Å; D297-K312 WeakPolarHBondContact OD1-CE 3.45Å; D297-K312 IonicContact OD1-NZ 2.83Å; D297-K312 WeakPolarHBondContact OD2-CE 3.45Å; D297-K312 IonicContact OD2-NZ 2.66Å; D297-K312 PolarHBondContact OD2-NZ 2.89Å; D297-R320 IonicContact OD1-CZ 2.78Å; D297-R320 IonicContact OD1-NH1 2.95Å; D297-R320 IonicContact OD1-NH2 3.3Å; D297-R320 PolarHBondContact OD1-NH2 3.22Å; D297-R320 IonicContact OD2-NH2 2.56Å; D297-R320 PolarHBondContact OD2-NH2 3.04Å
298D97.9Very high95.6Very high29 Ų2948.5 Ų48.516%0.15527%0.267CS..Hα-helixtrans-57.1-47.9173.3-69.7-43.4000111.6K117 Y289 A294 D295 A296 I302K117-D298 WeakPolarHBondContact CE-OD2 3.33Å; K117-D298 IonicContact NZ-OD1 2.76Å; K117-D298 IonicContact NZ-OD2 3.99Å; K117-D298 PolarHBondContact NZ-OD2 3.02Å; Y289-D298 HydrophobicContact CE1-CB 4.25Å; Y289-D298 HydrophobicContact CE2-CB 3.82Å; Y289-D298 WeakPolarHBondContact OH-CB 3.37Å; Y289-D298 PolarHBondContact OH-OD1 3.01Å; A294-D298 VanDerWaalsContact CA-OD2 3.32Å; A294-D298 WeakPolarHBondContact CA-OD2 3.49Å; A294-D298 HydrophobicContact CB-CB 4.18Å; D295-D298 PolarHBondContact N-OD2 2.67Å; D295-D298 WeakPolarHBondContact O-CB 3.44Å; D295-D298 PolarHBondContact O-N 3.48Å; D295-D298 PolarHBondContact OD1-N 3.13Å; A296-D298 VanDerWaalsContact C-N 3.34Å; A296-D298 PolarHBondContact O-N 2.94Å; D298-I302 PolarHBondContact O-N 3.19Å
299L97.4Very high95.4Very high0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-62-48.5177.1173.364.8000111.4W123 L124 F128 I282 Y285 D295 A296 Y301 I302 L303W123-L299 HydrophobicContact CH2-CD2 3.9Å; L124-L299 HydrophobicContact CD2-CB 4.43Å; L124-L299 HydrophobicContact CD2-CD2 3.64Å; F128-L299 HydrophobicContact CE2-CD2 3.64Å; F128-L299 HydrophobicContact CZ-CD1 4.42Å; F128-L299 HydrophobicContact CZ-CD2 3.72Å; I282-L299 HydrophobicContact CD1-CD1 3.93Å; Y285-L299 HydrophobicContact CD1-CD1 4.42Å; Y285-L299 HydrophobicContact CD2-CB 4.04Å; Y285-L299 HydrophobicContact CD2-CD1 3.88Å; Y285-L299 HydrophobicContact CE2-CB 3.85Å; Y285-L299 HydrophobicContact CE2-CD1 4.29Å; Y285-L299 HydrophobicContact CG-CD1 3.94Å; D295-L299 PolarHBondContact O-N 3.45Å; A296-L299 PolarHBondContact O-N 2.89Å; L299-Y301 VanDerWaalsContact C-N 3.31Å; L299-Y301 PolarHBondContact O-N 2.92Å; L299-I302 PolarHBondContact O-N 2.97Å; L299-L303 HydrophobicContact CD1-CD1 4.18Å; L299-L303 HydrophobicContact CD1-CG 4.13Å; L299-L303 HydrophobicContact CG-CD1 4.3Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 3Å
300W97.5Very high95.3Very high1 Ų150.3 Ų50.30%0.00427%0.27CS..Hα-helixtrans-64.3-36.7-177.5-56.8142.2000112.8W123 I199 A296 D297 L303 E304 V311 K312 M315 T319W123-W300 AromaticContact CH2-CH2 3.28Å; W123-W300 HydrophobicContact CH2-CH2 3.28Å; W123-W300 AromaticContact CH2-CZ2 3.2Å; W123-W300 HydrophobicContact CH2-CZ2 3.2Å; W123-W300 HydrophobicContact CH2-CZ3 4.38Å; W123-W300 HydrophobicContact CZ2-CH2 4.03Å; W123-W300 AromaticContact CZ2-CZ2 3.45Å; W123-W300 HydrophobicContact CZ2-CZ2 3.45Å; W123-W300 VanDerWaalsContact CZ2-CZ2 3.45Å; W123-W300 HydrophobicContact CZ3-CH2 4.12Å; W123-W300 HydrophobicContact CZ3-CZ2 4.28Å; I199-W300 HydrophobicContact CG2-CZ3 4.39Å; A296-W300 PolarHBondContact O-N 3.08Å; A296-W300 PolarHBondContact O-NE1 3.2Å; D297-W300 PolarHBondContact O-N 3.36Å; W300-L303 HydrophobicContact CE3-CD1 3.95Å; W300-L303 HydrophobicContact CZ3-CD1 3.89Å; W300-L303 PolarHBondContact O-N 2.61Å; W300-E304 VanDerWaalsContact O-CB 3.26Å; W300-E304 WeakPolarHBondContact O-CB 3.48Å; W300-E304 PolarHBondContact O-N 3.02Å; W300-V311 HydrophobicContact CB-CG1 4.31Å; W300-V311 HydrophobicContact CD2-CG1 4.47Å; W300-V311 HydrophobicContact CE3-CG1 3.9Å; W300-K312 HydrophobicContact CB-CB 3.97Å; W300-K312 HydrophobicContact CB-CG 4.21Å; W300-M315 HydrophobicContact CD2-CB 3.7Å; W300-M315 HydrophobicContact CD2-CG 4.11Å; W300-M315 HydrophobicContact CE3-CB 4.11Å; W300-M315 HydrophobicContact CE3-CG 3.99Å; W300-M315 HydrophobicContact CG-CB 4.13Å; W300-M315 HydrophobicContact CH2-CB 4.24Å; W300-M315 HydrophobicContact CH2-CE 3.42Å; W300-M315 VanDerWaalsContact CH2-CE 3.42Å; W300-M315 HydrophobicContact CH2-CG 4.23Å; W300-M315 HydrophobicContact CZ2-CB 3.85Å; W300-M315 HydrophobicContact CZ2-CE 3.92Å; W300-M315 HydrophobicContact CZ2-CG 4.34Å; W300-M315 HydrophobicContact CZ3-CB 4.38Å; W300-M315 HydrophobicContact CZ3-CE 3.86Å; W300-M315 HydrophobicContact CZ3-CG 4.07Å; W300-T319 HydrophobicContact CZ2-CG2 3.92Å
301Y97.7Very high95.5Very high140 Ų14048.9 Ų48.955%0.54926%0.258SS..Hα-helixtrans-62-47175.5-179.6-98.7000111.8D297 L299 L303 E304 E305D297-Y301 WeakPolarHBondContact O-CB 3.41Å; D297-Y301 PolarHBondContact O-N 2.94Å; L299-Y301 VanDerWaalsContact C-N 3.31Å; L299-Y301 PolarHBondContact O-N 2.92Å; Y301-L303 PolarHBondContact O-N 3.13Å; Y301-E304 PolarHBondContact O-N 2.97Å; Y301-E305 WeakPolarHBondContact CE1-OE2 3.45Å; Y301-E305 WeakPolarHBondContact O-CB 3.39Å; Y301-E305 PolarHBondContact O-N 2.71Å
302I97Very high95.6Very high10 Ų1045.5 Ų45.55%0.05124%0.244CC..Hα-helixtrans-63.9-43.9179.1-70179.4000111.3G281 E284 Y285 T288 Y289 D298 L299 E304 E305 V306G281-I302 VanDerWaalsContact O-CG2 3.3Å; G281-I302 WeakPolarHBondContact O-CG2 3.29Å; E284-I302 HydrophobicContact CB-CG2 3.98Å; E284-I302 HydrophobicContact CG-CG2 4.31Å; Y285-I302 HydrophobicContact CD2-CD1 4.27Å; T288-I302 HydrophobicContact CG2-CD1 4.4Å; Y289-I302 HydrophobicContact CD2-CD1 4.3Å; Y289-I302 HydrophobicContact CE2-CD1 3.7Å; D298-I302 PolarHBondContact O-N 3.19Å; L299-I302 PolarHBondContact O-N 2.97Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-E304 PolarHBondContact O-N 3.35Å; I302-E305 PolarHBondContact O-N 3.13Å; I302-V306 HydrophobicContact CG2-CG2 4.39Å; I302-V306 WeakPolarHBondContact O-CB 3.38Å; I302-V306 WeakPolarHBondContact O-CG2 3.39Å; I302-V306 PolarHBondContact O-N 2.87Å
303L96Very high95.6Very high1 Ų144 Ų441%0.00524%0.238CC..Hα-helixtrans-64.1-38.1177.4-68.7-172.5000112I199 L203 F278 I282 L299 W300 Y301 S307 V311I199-L303 HydrophobicContact CG1-CD1 4.3Å; L203-L303 HydrophobicContact CD1-CB 4.19Å; L203-L303 HydrophobicContact CD1-CD1 4.4Å; L203-L303 HydrophobicContact CD1-CD2 4.48Å; F278-L303 HydrophobicContact CD2-CD1 4.23Å; F278-L303 HydrophobicContact CD2-CD2 4.32Å; F278-L303 HydrophobicContact CE2-CD1 4.09Å; I282-L303 HydrophobicContact CD1-CD2 4.4Å; L299-L303 HydrophobicContact CD1-CD1 4.18Å; L299-L303 HydrophobicContact CD1-CG 4.13Å; L299-L303 HydrophobicContact CG-CD1 4.3Å; L299-L303 WeakPolarHBondContact O-CG 3.48Å; L299-L303 PolarHBondContact O-N 3Å; W300-L303 HydrophobicContact CE3-CD1 3.95Å; W300-L303 HydrophobicContact CZ3-CD1 3.89Å; W300-L303 PolarHBondContact O-N 2.61Å; Y301-L303 PolarHBondContact O-N 3.13Å; L303-S307 VanDerWaalsContact O-CB 3.28Å; L303-S307 WeakPolarHBondContact O-CB 3.32Å; L303-S307 PolarHBondContact O-N 3.29Å; L303-S307 VanDerWaalsContact O-N 3.07Å; L303-S307 PolarHBondContact O-OG 2.92Å; L303-V311 HydrophobicContact CB-CG1 4.06Å; L303-V311 HydrophobicContact CB-CG2 4.32Å
304E96.5Very high95.6Very high68 Ų6840.7 Ų40.732%0.31822%0.22SC..Hα-helixtrans-64.5-45.9175.3-171.8152.6117.300111.6W300 Y301 I302 G308 K309 V311 K312W300-E304 VanDerWaalsContact O-CB 3.26Å; W300-E304 WeakPolarHBondContact O-CB 3.48Å; W300-E304 PolarHBondContact O-N 3.02Å; Y301-E304 PolarHBondContact O-N 2.97Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-E304 PolarHBondContact O-N 3.35Å; E304-G308 WeakPolarHBondContact O-CA 3.4Å; E304-G308 PolarHBondContact O-N 3.46Å; E304-K309 WeakPolarHBondContact CG-O 3.13Å; E304-V311 HydrophobicContact CB-CB 4.04Å; E304-V311 HydrophobicContact CB-CG2 4.32Å; E304-V311 PolarHBondContact OE2-N 3.47Å; E304-K312 PolarHBondContact OE2-N 3.33Å
305E96.4Very high95.6Very high132 Ų13240.7 Ų40.762%0.61722%0.22SC*.Hα-helixtrans-62.9-46.1178.9-174.3178.3175.300112Y301 I302Y301-E305 WeakPolarHBondContact CE1-OE2 3.45Å; Y301-E305 WeakPolarHBondContact O-CB 3.39Å; Y301-E305 PolarHBondContact O-N 2.71Å; I302-E305 PolarHBondContact O-N 3.13Å
306V94Very high95.6Very high54 Ų5439.9 Ų39.933%0.32722%0.217SC..Hα-helixtrans-70.9-39.1-177.4171.60000112.3A280 I302A280-V306 HydrophobicContact CB-CG1 3.79Å; I302-V306 HydrophobicContact CG2-CG2 4.39Å; I302-V306 WeakPolarHBondContact O-CB 3.38Å; I302-V306 WeakPolarHBondContact O-CG2 3.39Å; I302-V306 PolarHBondContact O-N 2.87Å
307S92.6Very high95.5Very high18 Ų1842.5 Ų42.513%0.12623%0.229CC..Hα-helixtrans-89.2-21.2-175.867.30000114.4L203 L303 K309L203-S307 WeakPolarHBondContact CD2-OG 3.42Å; L303-S307 VanDerWaalsContact O-CB 3.28Å; L303-S307 WeakPolarHBondContact O-CB 3.32Å; L303-S307 PolarHBondContact O-N 3.29Å; L303-S307 VanDerWaalsContact O-N 3.07Å; L303-S307 PolarHBondContact O-OG 2.92Å; S307-K309 PolarHBondContact O-N 3.45Å; S307-K309 VanDerWaalsContact O-N 3.12Å; S307-K309 PolarHBondContact OG-N 3.38Å
308G92.2Very high95.5Very high73 Ų7340.5 Ų40.575%0.75322%0.218SC*.  trans648.6-170.800000114.6E304E304-G308 WeakPolarHBondContact O-CA 3.4Å; E304-G308 PolarHBondContact O-N 3.46Å
309K91.3Very high95.4Very high69 Ų6939.1 Ų39.130%0.321%0.211SC..SBendtrans-97.6154.9177.6-70.1175.5175.21730110.2Y202 L203 G204 E304 S307 V311Y202-K309 HydrophobicContact CE1-CB 4.1Å; Y202-K309 HydrophobicContact CE1-CD 4.38Å; Y202-K309 PolarHBondContact O-NZ 3.4Å; L203-K309 HydrophobicContact CD2-CB 3.92Å; L203-K309 HydrophobicContact CD2-CD 3.73Å; L203-K309 HydrophobicContact CD2-CG 4.39Å; L203-K309 PolarHBondContact O-NZ 3.46Å; G204-K309 PolarHBondContact O-NZ 3.37Å; E304-K309 WeakPolarHBondContact CG-O 3.13Å; S307-K309 PolarHBondContact O-N 3.45Å; S307-K309 VanDerWaalsContact O-N 3.12Å; S307-K309 PolarHBondContact OG-N 3.38Å; K309-V311 PolarHBondContact O-N 3.41Å; K309-V311 VanDerWaalsContact O-N 3.11Å
310E92.3Very high95.4Very high79 Ų7944.7 Ų44.737%0.36923%0.232SC..  trans-66.8111.3172.7-175.2-179.2-171.300110.3Y202 K362Y202-E310 VanDerWaalsContact CE1-O 3.29Å; Y202-E310 WeakPolarHBondContact CE1-O 3.49Å; Y202-E310 PolarHBondContact OH-O 3.42Å; E310-K362 IonicContact OE1-NZ 2.74Å; E310-K362 PolarHBondContact OE1-NZ 3.26Å; E310-K362 IonicContact OE2-NZ 3.85Å; E310-K362 PolarHBondContact OE2-NZ 3.42Å
311V96.2Very high95.2Very high0 Ų046.7 Ų46.70%024%0.241CC..  trans-113.4-57.1-179.8177.40000110.5I199 L203 W300 L303 E304 K309 G313 M314 M315I199-V311 HydrophobicContact CD1-CB 4.44Å; I199-V311 HydrophobicContact CD1-CG1 3.82Å; I199-V311 HydrophobicContact CD1-CG2 4.14Å; I199-V311 HydrophobicContact CG1-CG1 4.24Å; L203-V311 HydrophobicContact CD1-CG2 4.3Å; L203-V311 HydrophobicContact CD2-CG2 3.78Å; W300-V311 HydrophobicContact CB-CG1 4.31Å; W300-V311 HydrophobicContact CD2-CG1 4.47Å; W300-V311 HydrophobicContact CE3-CG1 3.9Å; L303-V311 HydrophobicContact CB-CG1 4.06Å; L303-V311 HydrophobicContact CB-CG2 4.32Å; E304-V311 HydrophobicContact CB-CB 4.04Å; E304-V311 HydrophobicContact CB-CG2 4.32Å; E304-V311 PolarHBondContact OE2-N 3.47Å; K309-V311 PolarHBondContact O-N 3.41Å; K309-V311 VanDerWaalsContact O-N 3.11Å; V311-G313 VanDerWaalsContact C-N 3.34Å; V311-G313 PolarHBondContact O-N 3.25Å; V311-M314 PolarHBondContact O-N 2.86Å; V311-M314 VanDerWaalsContact O-N 3.09Å; V311-M315 HydrophobicContact CG1-CG 3.82Å; V311-M315 WeakPolarHBondContact O-CB 3.43Å; V311-M315 VanDerWaalsContact O-CG 3.32Å; V311-M315 WeakPolarHBondContact O-CG 3.36Å; V311-M315 PolarHBondContact O-N 3.33Å
312K94.8Very high94.9Very high69 Ų6943.1 Ų43.130%0.323%0.23SC..Hα-helixtrans-59.9-46-172-177.1172.5-178.31640111.5D297 W300 E304 M314 M315 C316D297-K312 VanDerWaalsContact CG-CE 3.44Å; D297-K312 VanDerWaalsContact OD1-CE 3.25Å; D297-K312 WeakPolarHBondContact OD1-CE 3.45Å; D297-K312 IonicContact OD1-NZ 2.83Å; D297-K312 WeakPolarHBondContact OD2-CE 3.45Å; D297-K312 IonicContact OD2-NZ 2.66Å; D297-K312 PolarHBondContact OD2-NZ 2.89Å; W300-K312 HydrophobicContact CB-CB 3.97Å; W300-K312 HydrophobicContact CB-CG 4.21Å; E304-K312 PolarHBondContact OE2-N 3.33Å; K312-M314 VanDerWaalsContact C-N 3.25Å; K312-M314 PolarHBondContact O-N 2.95Å; K312-M315 PolarHBondContact O-N 2.98Å; K312-C316 WeakPolarHBondContact O-CB 3.41Å; K312-C316 PolarHBondContact O-N 2.61Å; K312-C316 PolarHBondContact O-SG 3.43Å
313G93.5Very high94.7Very high29 Ų2942.7 Ų42.730%0.29923%0.227SC..Hα-helixtrans-59.6-34.4178.600000113.6V311V311-G313 VanDerWaalsContact C-N 3.34Å; V311-G313 PolarHBondContact O-N 3.25Å
314M96.4Very high94.6Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-76.6-53.8175178.8176.274.500111.2I199 Y202 V311 K312 C316 Q317 W318 K362 P364 L379I199-M314 HydrophobicContact CD1-CE 3.4Å; I199-M314 VanDerWaalsContact CD1-CE 3.4Å; Y202-M314 HydrophobicContact CD1-CE 3.56Å; Y202-M314 HydrophobicContact CD1-SD 4.43Å; Y202-M314 HydrophobicContact CE1-CE 3.93Å; Y202-M314 HydrophobicContact CE1-SD 4.47Å; Y202-M314 HydrophobicContact CG-CE 3.91Å; Y202-M314 HydrophobicContact CG-SD 4.48Å; V311-M314 PolarHBondContact O-N 2.86Å; V311-M314 VanDerWaalsContact O-N 3.09Å; K312-M314 VanDerWaalsContact C-N 3.25Å; K312-M314 PolarHBondContact O-N 2.95Å; M314-C316 PolarHBondContact O-N 3.11Å; M314-Q317 WeakPolarHBondContact O-CB 3.26Å; M314-Q317 PolarHBondContact O-N 3.12Å; M314-Q317 VanDerWaalsContact O-N 3.09Å; M314-W318 VanDerWaalsContact O-CD1 3.26Å; M314-K362 HydrophobicContact CB-CB 4.08Å; M314-K362 HydrophobicContact CB-CD 4.42Å; M314-K362 HydrophobicContact CG-CB 3.86Å; M314-K362 WeakPolarHBondContact CG-O 3.29Å; M314-P364 HydrophobicContact SD-CB 4.48Å; M314-P364 HydrophobicContact SD-CG 4.08Å; M314-L379 HydrophobicContact SD-CD1 3.78Å
315M97.4Very high94.7Very high0 Ų039.4 Ų39.40%021%0.212CC..Hα-helixtrans-69.2-32.8-168.3-63.1-53.8-7700113.1V195 M198 I199 W300 V311 K312 Q317 W318 T319V195-M315 HydrophobicContact CB-CE 4.49Å; V195-M315 HydrophobicContact CG1-CE 3.14Å; V195-M315 HydrophobicContact CG1-SD 4.48Å; M198-M315 HydrophobicContact CE-SD 4.39Å; I199-M315 HydrophobicContact CB-CE 3.72Å; I199-M315 HydrophobicContact CB-SD 3.93Å; I199-M315 HydrophobicContact CD1-CG 4.03Å; I199-M315 HydrophobicContact CD1-SD 3.92Å; I199-M315 HydrophobicContact CG1-CE 4.35Å; I199-M315 HydrophobicContact CG1-CG 4.39Å; I199-M315 HydrophobicContact CG1-SD 4.22Å; I199-M315 HydrophobicContact CG2-CE 3.95Å; W300-M315 HydrophobicContact CD2-CB 3.7Å; W300-M315 HydrophobicContact CD2-CG 4.11Å; W300-M315 HydrophobicContact CE3-CB 4.11Å; W300-M315 HydrophobicContact CE3-CG 3.99Å; W300-M315 HydrophobicContact CG-CB 4.13Å; W300-M315 HydrophobicContact CH2-CB 4.24Å; W300-M315 HydrophobicContact CH2-CE 3.42Å; W300-M315 VanDerWaalsContact CH2-CE 3.42Å; W300-M315 HydrophobicContact CH2-CG 4.23Å; W300-M315 HydrophobicContact CZ2-CB 3.85Å; W300-M315 HydrophobicContact CZ2-CE 3.92Å; W300-M315 HydrophobicContact CZ2-CG 4.34Å; W300-M315 HydrophobicContact CZ3-CB 4.38Å; W300-M315 HydrophobicContact CZ3-CE 3.86Å; W300-M315 HydrophobicContact CZ3-CG 4.07Å; V311-M315 HydrophobicContact CG1-CG 3.82Å; V311-M315 WeakPolarHBondContact O-CB 3.43Å; V311-M315 VanDerWaalsContact O-CG 3.32Å; V311-M315 WeakPolarHBondContact O-CG 3.36Å; V311-M315 PolarHBondContact O-N 3.33Å; K312-M315 PolarHBondContact O-N 2.98Å; M315-Q317 PolarHBondContact O-N 2.8Å; M315-Q317 VanDerWaalsContact O-N 3.14Å; M315-W318 PolarHBondContact O-N 3.46Å; M315-T319 PolarHBondContact O-N 3.25Å; M315-T319 PolarHBondContact O-OG1 3.06Å; M315-T319 VanDerWaalsContact O-OG1 3.05Å
316C95.9Very high94.7Very high23 Ų2333.3 Ų33.316%0.15518%0.184CC..Hα-helixtrans-56.3-31.2172.8-72.50000112.8K312 M314 W318 R320K312-C316 WeakPolarHBondContact O-CB 3.41Å; K312-C316 PolarHBondContact O-N 2.61Å; K312-C316 PolarHBondContact O-SG 3.43Å; M314-C316 PolarHBondContact O-N 3.11Å; C316-W318 VanDerWaalsContact C-N 3.31Å; C316-R320 VanDerWaalsContact O-CB 3.27Å; C316-R320 WeakPolarHBondContact O-CB 3.43Å; C316-R320 PolarHBondContact O-N 2.97Å
317Q95.1Very high94.9Very high55 Ų5530.7 Ų30.726%0.25717%0.168SC..Hα-helixtrans-77.3-18177.2-58.5-176.8-1.100112.8M314 M315 Q321 W361M314-Q317 WeakPolarHBondContact O-CB 3.26Å; M314-Q317 PolarHBondContact O-N 3.12Å; M314-Q317 VanDerWaalsContact O-N 3.09Å; M315-Q317 PolarHBondContact O-N 2.8Å; M315-Q317 VanDerWaalsContact O-N 3.14Å; Q317-Q321 VanDerWaalsContact O-CD 3.25Å; Q317-Q321 WeakPolarHBondContact O-CG 3.27Å; Q317-Q321 PolarHBondContact O-NE2 2.93Å; Q317-Q321 VanDerWaalsContact O-NE2 3.09Å; Q317-W361 PolarHBondContact O-NE1 2.92Å
318W97.3Very high95.1Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-92.1-26.9176.4-69.4102.4000112.5V195 M198 M314 M315 C316 P325 W361 K362 V363 F407V195-W318 HydrophobicContact CG1-CB 4.21Å; V195-W318 HydrophobicContact CG2-CB 4.26Å; M198-W318 HydrophobicContact CE-CB 4.44Å; M198-W318 HydrophobicContact CE-CD2 3.56Å; M198-W318 VanDerWaalsContact CE-CE2 3.45Å; M198-W318 HydrophobicContact CE-CE3 4.24Å; M198-W318 HydrophobicContact CE-CG 3.62Å; M198-W318 HydrophobicContact CE-CZ2 4.04Å; M198-W318 HydrophobicContact SD-CD2 4.45Å; M198-W318 HydrophobicContact SD-CH2 4.35Å; M198-W318 HydrophobicContact SD-CZ2 3.94Å; M314-W318 VanDerWaalsContact O-CD1 3.26Å; M315-W318 PolarHBondContact O-N 3.46Å; C316-W318 VanDerWaalsContact C-N 3.31Å; W318-P325 HydrophobicContact CH2-CG 3.97Å; W318-W361 AromaticContact CD2-CD1 3.58Å; W318-W361 HydrophobicContact CD2-CG 4.41Å; W318-W361 AromaticContact CE2-CD1 3.84Å; W318-W361 AromaticContact CE3-CD1 3.6Å; W318-W361 HydrophobicContact CE3-CG 4.44Å; W318-W361 AromaticContact CE3-NE1 3.97Å; W318-W361 HydrophobicContact CH2-CB 4.31Å; W318-W361 HydrophobicContact CH2-CG 4.29Å; W318-W361 HydrophobicContact CZ2-CB 3.88Å; W318-W361 HydrophobicContact CZ2-CG 4.23Å; W318-W361 AromaticContact CZ3-CD1 3.9Å; W318-W361 HydrophobicContact CZ3-CG 4.37Å; W318-K362 PolarHBondContact NE1-O 3.44Å; W318-V363 HydrophobicContact CH2-CG2 4.46Å; W318-V363 HydrophobicContact CZ2-CB 4.43Å; W318-V363 HydrophobicContact CZ2-CG1 4.34Å; W318-V363 HydrophobicContact CZ2-CG2 4Å; W318-F407 HydrophobicContact CE3-CB 4.5Å; W318-F407 WeakPolarHBondContact CH2-O 3.22Å; W318-F407 HydrophobicContact CZ3-CB 4.06Å; W318-F407 HydrophobicContact CZ3-CD1 4.26Å; W318-F407 WeakPolarHBondContact CZ3-O 3.48Å
319T96.9Very high95.4Very high0 Ų030 Ų300%014%0.14CC..Hα-helixtrans-99.1-36-174.456.90000113.6W123 P169 I170 E171 V195 W300 M315W123-T319 HydrophobicContact CZ2-CG2 4.35Å; P169-T319 WeakPolarHBondContact CB-O 3.37Å; I170-T319 HydrophobicContact CD1-CG2 4.3Å; I170-T319 PolarHBondContact N-O 3.45Å; E171-T319 PolarHBondContact N-O 2.78Å; E171-T319 WeakPolarHBondContact OE1-CB 3.14Å; E171-T319 PolarHBondContact OE1-OG1 3.16Å; V195-T319 HydrophobicContact CG1-CG2 4.48Å; W300-T319 HydrophobicContact CZ2-CG2 3.92Å; M315-T319 PolarHBondContact O-N 3.25Å; M315-T319 PolarHBondContact O-OG1 3.06Å; M315-T319 VanDerWaalsContact O-OG1 3.05Å
320R95.8Very high95.7Very high118 Ų11831.7 Ų31.745%0.44515%0.149SC..SBendtrans-94.1-3.3-172.7-60.5-176.7171.3158.12.6115.6E171 D297 C316E171-R320 HydrophobicContact CB-CG 4.34Å; E171-R320 VanDerWaalsContact OE1-CG 3.23Å; E171-R320 WeakPolarHBondContact OE1-CG 3.32Å; E171-R320 IonicContact OE1-NE 2.82Å; E171-R320 IonicContact OE2-CZ 2.75Å; E171-R320 IonicContact OE2-NE 2.71Å; E171-R320 PolarHBondContact OE2-NE 3.35Å; E171-R320 IonicContact OE2-NH2 3.78Å; D297-R320 IonicContact OD1-CZ 2.78Å; D297-R320 IonicContact OD1-NH1 2.95Å; D297-R320 IonicContact OD1-NH2 3.3Å; D297-R320 PolarHBondContact OD1-NH2 3.22Å; D297-R320 IonicContact OD2-NH2 2.56Å; D297-R320 PolarHBondContact OD2-NH2 3.04Å; C316-R320 VanDerWaalsContact O-CB 3.27Å; C316-R320 WeakPolarHBondContact O-CB 3.43Å; C316-R320 PolarHBondContact O-N 2.97Å
321Q93.1Very high95.9Very high42 Ų4229.7 Ų29.720%0.19614%0.141CC..SBendtrans-127.6149.7173.459.7-171.930.100111.1Q317 L359 T360 W361Q317-Q321 VanDerWaalsContact O-CD 3.25Å; Q317-Q321 WeakPolarHBondContact O-CG 3.27Å; Q317-Q321 PolarHBondContact O-NE2 2.93Å; Q317-Q321 VanDerWaalsContact O-NE2 3.09Å; Q321-L359 HydrophobicContact CB-CD2 4.4Å; Q321-T360 PolarHBondContact NE2-O 3.07Å; Q321-W361 HydrophobicContact CG-CZ2 4.44Å
322E91.3Very high95.8Very high66 Ų6635.5 Ų35.531%0.30816%0.163SC..SBendtrans-74.5157.9176.566.9-176.3-159.800111.6
323G92.8Very high95.4Very high0 Ų038.3 Ų38.30%018%0.177CC..  trans79-172.7173.200000114.8D162 K191D162-G323 VanDerWaalsContact CG-CA 3.4Å; D162-G323 WeakPolarHBondContact O-CA 3.5Å; D162-G323 WeakPolarHBondContact OD1-CA 3.47Å; D162-G323 PolarHBondContact OD1-N 3.5Å; D162-G323 WeakPolarHBondContact OD2-CA 3.44Å; D162-G323 PolarHBondContact OD2-N 2.97Å; K191-G323 PolarHBondContact NZ-O 2.78Å
324Y96Very high95.1Very high0 Ų040.4 Ų40.40%018%0.181CC..  trans-152.9160.4-178.560.4-88.8000111.3M159 D162 F347 F407 R409M159-Y324 HydrophobicContact CB-CE1 3.92Å; M159-Y324 WeakPolarHBondContact CB-OH 3.48Å; M159-Y324 HydrophobicContact CG-CD1 4.48Å; M159-Y324 HydrophobicContact CG-CE1 4Å; M159-Y324 HydrophobicContact CG-CE2 4.22Å; M159-Y324 WeakPolarHBondContact O-CE1 3.38Å; M159-Y324 PolarHBondContact O-OH 2.78Å; M159-Y324 HydrophobicContact SD-CE2 4.41Å; D162-Y324 HydrophobicContact CB-CD1 4.06Å; D162-Y324 HydrophobicContact CB-CE1 4.12Å; Y324-F347 HydrophobicContact CD2-CB 4.29Å; Y324-F347 HydrophobicContact CE2-CB 3.9Å; Y324-F347 AromaticContact CE2-CD1 3.7Å; Y324-F347 HydrophobicContact CE2-CD1 3.7Å; Y324-F347 HydrophobicContact CE2-CG 4.09Å; Y324-F347 AromaticContact CZ-CD1 3.6Å; Y324-F347 PolarHBondContact O-N 3.2Å; Y324-F347 WeakPolarHBondContact OH-CD1 3.19Å; Y324-F347 WeakPolarHBondContact OH-CE1 3.46Å; Y324-F407 WeakPolarHBondContact CB-O 2.94Å; Y324-F407 HydrophobicContact CD1-CD1 4.34Å; Y324-F407 AromaticContact CD1-CE1 3.64Å; Y324-F407 HydrophobicContact CD1-CE1 3.64Å; Y324-F407 HydrophobicContact CD1-CZ 4.3Å; Y324-F407 HydrophobicContact CE1-CE1 4.46Å; Y324-F407 HydrophobicContact CG-CD1 4.16Å; Y324-F407 AromaticContact CG-CE1 3.92Å; Y324-F407 HydrophobicContact CG-CE1 3.92Å; Y324-R409 HydrophobicContact CE2-CG 3.75Å; Y324-R409 PolarHBondContact OH-NE 3.43Å; Y324-R409 VanDerWaalsContact OH-NE 3.15Å
325P96.6Very high94.6Very high0 Ų046.8 Ų46.80%022%0.215CC..EExtended strand (participates in β ladder)trans-83.6150.6-18030.4-29.5000113W318 I327 Q344 K345 W361 V363 Y408 R409W318-P325 HydrophobicContact CH2-CG 3.97Å; P325-I327 HydrophobicContact CB-CD1 4.12Å; P325-I327 HydrophobicContact CG-CD1 4.28Å; P325-Q344 HydrophobicContact CB-CB 4.2Å; P325-K345 CarbonylContact C-O 3.56Å; P325-K345 VanDerWaalsContact CA-O 3.27Å; P325-K345 WeakPolarHBondContact CA-O 3.28Å; P325-W361 HydrophobicContact CB-CD2 4.45Å; P325-W361 HydrophobicContact CB-CE3 3.73Å; P325-W361 HydrophobicContact CB-CZ3 4.06Å; P325-W361 HydrophobicContact CG-CB 4.35Å; P325-W361 HydrophobicContact CG-CD2 4.1Å; P325-W361 HydrophobicContact CG-CE3 3.86Å; P325-W361 HydrophobicContact CG-CG 4.32Å; P325-V363 HydrophobicContact CG-CG2 3.88Å; P325-Y408 WeakPolarHBondContact O-CA 3.23Å; P325-Y408 VanDerWaalsContact O-CB 3.28Å; P325-Y408 WeakPolarHBondContact O-CB 3.38Å; P325-R409 PolarHBondContact O-N 2.83Å
326V96.9Very high94.1Very high4 Ų454.6 Ų54.62%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-92.3130.4149.654.30000108.7Q344 K345 F347 R409 R411 F444V326-Q344 WeakPolarHBondContact O-CA 3.41Å; V326-K345 HydrophobicContact CG1-CB 4.32Å; V326-K345 WeakPolarHBondContact CG1-O 3.37Å; V326-K345 PolarHBondContact N-O 2.91Å; V326-K345 PolarHBondContact O-N 2.8Å; V326-F347 HydrophobicContact CB-CB 4.11Å; V326-F347 HydrophobicContact CB-CD2 4.22Å; V326-F347 HydrophobicContact CG1-CB 4.17Å; V326-F347 HydrophobicContact CG1-CD2 4.27Å; V326-R409 CarbonylContact C-O 3.13Å; V326-R409 WeakPolarHBondContact CA-O 3.3Å; V326-R411 HydrophobicContact CG2-CB 3.93Å; V326-F444 HydrophobicContact CB-CE1 4.29Å; V326-F444 HydrophobicContact CG2-CE1 3.57Å; V326-F444 HydrophobicContact CG2-CZ 3.63Å
327I98.2Very high93.8Very high0 Ų056.1 Ų56.10%027%0.266CS..EExtended strand (participates in β ladder)trans-98113.8173.9-52.6-56.1000108.8P325 L342 Q344 V363 I365 M380 Y408 R409 V410 R411P325-I327 HydrophobicContact CB-CD1 4.12Å; P325-I327 HydrophobicContact CG-CD1 4.28Å; I327-L342 HydrophobicContact CG2-CD2 3.89Å; I327-Q344 HydrophobicContact CD1-CB 3.52Å; I327-V363 HydrophobicContact CD1-CG1 4.36Å; I327-V363 HydrophobicContact CD1-CG2 4.25Å; I327-I365 HydrophobicContact CG2-CD1 4.12Å; I327-M380 HydrophobicContact CD1-SD 4.26Å; I327-Y408 HydrophobicContact CB-CD2 4.25Å; I327-Y408 HydrophobicContact CG1-CD2 3.43Å; I327-Y408 VanDerWaalsContact CG1-CD2 3.43Å; I327-Y408 HydrophobicContact CG1-CE2 3.9Å; I327-Y408 HydrophobicContact CG1-CG 4.08Å; I327-R409 PolarHBondContact N-O 3.12Å; I327-V410 CarbonylContact O-C 3.55Å; I327-V410 WeakPolarHBondContact O-CA 3.37Å; I327-R411 PolarHBondContact O-N 3.02Å
328R98.1Very high93.8Very high76 Ų7654.3 Ų54.329%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-87.9122.7173.4-67.2176.2178.8-169.3-2.1108.8L342 D343 R411R328-L342 WeakPolarHBondContact O-CA 3.43Å; R328-D343 HydrophobicContact CB-CB 4.36Å; R328-D343 PolarHBondContact N-O 3.25Å; R328-D343 PolarHBondContact O-N 3.44Å; R328-R411 WeakPolarHBondContact CA-O 3.27Å; R328-R411 HydrophobicContact CG-CB 4.07Å
329A98.3Very high93.7Very high0 Ų055 Ų550%026%0.261CS..EExtended strand (participates in β ladder)trans-114.2129.9-17800000110.6L340 L342 L400 V410 R411 S413 L416A329-L340 HydrophobicContact CB-CD1 4.17Å; A329-L342 HydrophobicContact CB-CD2 4.08Å; A329-L400 HydrophobicContact CB-CD1 3.48Å; A329-L400 VanDerWaalsContact CB-CD1 3.48Å; A329-V410 HydrophobicContact CB-CG1 4.48Å; A329-R411 PolarHBondContact N-O 2.69Å; A329-S413 PolarHBondContact O-N 2.93Å; A329-S413 VanDerWaalsContact O-N 3.13Å; A329-L416 HydrophobicContact CB-CD1 3.78Å; A329-L416 WeakPolarHBondContact O-CD1 3.25Å
330Q97.6Very high93.7Very high105 Ų10555 Ų5549%0.49126%0.261SS..EExtended strand (participates in β ladder)trans-140.9145.2176.9-51-171.319.500110.2Q341Q330-Q341 PolarHBondContact N-O 2.71Å; Q330-Q341 PolarHBondContact O-N 3.28Å
331L95.9Very high93.8Very high37 Ų3752.5 Ų52.519%0.19425%0.254CS..EExtended strand (participates in β ladder)trans-88.5139.8172.2-67.8171.8000109.8L339 L340 L389 F392 L416L331-L339 WeakPolarHBondContact CA-O 3.4Å; L331-L340 HydrophobicContact CD2-CD1 4.46Å; L331-L389 HydrophobicContact CD2-CD1 4.06Å; L331-F392 HydrophobicContact CD1-CE1 3.83Å; L331-F392 HydrophobicContact CD2-CD1 4.38Å; L331-F392 HydrophobicContact CD2-CE1 3.91Å; L331-L416 HydrophobicContact CD1-CD2 3.73Å; L331-L416 HydrophobicContact CD1-CG 4.1Å; L331-L416 HydrophobicContact CD2-CD2 4.03Å; L331-L416 HydrophobicContact CG-CD1 4.37Å; L331-L416 HydrophobicContact CG-CD2 3.68Å; L331-L416 HydrophobicContact CG-CG 3.88Å
332R93Very high94.1Very high121 Ų12150.7 Ų50.746%0.45725%0.246SC..EExtended strand (participates in β ladder)trans-130.5138167.8-179.2176.6173.5-166.5-4.3108.4L339 Q341R332-L339 HydrophobicContact CB-CB 4.46Å; R332-L339 PolarHBondContact N-O 3Å; R332-L339 WeakPolarHBondContact O-CB 3.44Å; R332-L339 PolarHBondContact O-N 2.9Å; R332-Q341 HydrophobicContact CB-CG 4.14Å
333Q88.1Confident94.4Very high128 Ų12848.7 Ų48.760%0.59824%0.237SC*.EExtended strand (participates in β ladder)trans-89.8132.1168.4-163.1146.5-7.800109.4N335 M338Q333-N335 VanDerWaalsContact CG-O 3.25Å; Q333-N335 WeakPolarHBondContact CG-O 3.3Å; Q333-N335 PolarHBondContact NE2-O 2.77Å; Q333-M338 VanDerWaalsContact CA-CE 3.43Å; Q333-M338 HydrophobicContact CB-CE 3.3Å; Q333-M338 HydrophobicContact CG-CE 3.27Å; Q333-M338 VanDerWaalsContact OE1-CE 3.29Å
334D87Confident94.6Very high73 Ų7348.7 Ų48.739%0.3924%0.238SC..EExtended strand (participates in β ladder)trans-128.3107.7164.4-160.1-7.2000108.3D336 V337 L339D334-D336 PolarHBondContact O-N 3.48Å; D334-V337 PolarHBondContact N-O 2.91Å; D334-V337 VanDerWaalsContact N-O 3.08Å; D334-V337 PolarHBondContact O-N 3.39Å; D334-L339 HydrophobicContact CB-CD1 3.59Å; D334-L339 HydrophobicContact CB-CG 4.24Å
335N85.8Confident94.5Very high134 Ų13452.6 Ų52.672%0.71725%0.254SS*.THydrogen-bonded Turntrans51.2-120.2-168.6-54.3-52.3000112.1Q333Q333-N335 VanDerWaalsContact CG-O 3.25Å; Q333-N335 WeakPolarHBondContact CG-O 3.3Å; Q333-N335 PolarHBondContact NE2-O 2.77Å
336D86.2Confident94.3Very high164 Ų16453.7 Ų53.788%0.87726%0.26SS*.THydrogen-bonded Turntrans-92.82.3-179.6-66.7-38.1000113.5D334D334-D336 PolarHBondContact O-N 3.48Å
337V90Very high94.2Very high56 Ų5653.6 Ų53.634%0.33926%0.259SS..EExtended strand (participates in β ladder)trans-105.7129.8-178.3-173.80000110.6D334 L339 E388D334-V337 PolarHBondContact N-O 2.91Å; D334-V337 VanDerWaalsContact N-O 3.08Å; D334-V337 PolarHBondContact O-N 3.39Å; V337-L339 HydrophobicContact CG1-CD2 3.97Å; V337-E388 HydrophobicContact CG1-CB 4.32Å; V337-E388 HydrophobicContact CG1-CG 4.37Å
338M94.3Very high93.8Very high17 Ų1754.7 Ų54.78%0.08427%0.266CS..EExtended strand (participates in β ladder)trans-79.4125.7167.6-83.3-68.810300110.2Q333 L389 F392Q333-M338 VanDerWaalsContact CA-CE 3.43Å; Q333-M338 HydrophobicContact CB-CE 3.3Å; Q333-M338 HydrophobicContact CG-CE 3.27Å; Q333-M338 VanDerWaalsContact OE1-CE 3.29Å; M338-L389 HydrophobicContact CB-CB 4.2Å; M338-L389 PolarHBondContact O-N 3.05Å; M338-F392 HydrophobicContact CB-CB 4.41Å; M338-F392 HydrophobicContact CB-CD1 4.12Å; M338-F392 HydrophobicContact CG-CD1 4.07Å; M338-F392 VanDerWaalsContact CG-O 3.24Å; M338-F392 WeakPolarHBondContact CG-O 3.37Å
339L96.1Very high93.2Very high15 Ų1552 Ų528%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-110.3131.5176.7-57.3-178.6000109.9L331 R332 D334 V337 I386 E388L331-L339 WeakPolarHBondContact CA-O 3.4Å; R332-L339 HydrophobicContact CB-CB 4.46Å; R332-L339 PolarHBondContact N-O 3Å; R332-L339 WeakPolarHBondContact O-CB 3.44Å; R332-L339 PolarHBondContact O-N 2.9Å; D334-L339 HydrophobicContact CB-CD1 3.59Å; D334-L339 HydrophobicContact CB-CG 4.24Å; V337-L339 HydrophobicContact CG1-CD2 3.97Å; L339-I386 HydrophobicContact CB-CG2 3.94Å; L339-I386 HydrophobicContact CD1-CG2 4.12Å; L339-I386 HydrophobicContact CD2-CG2 4.11Å; L339-I386 HydrophobicContact CG-CG2 4.29Å; L339-E388 HydrophobicContact CD2-CB 4.4Å; L339-E388 HydrophobicContact CD2-CG 3.75Å
340L97.5Very high92Very high0 Ų054.2 Ų54.20%027%0.269CS..EExtended strand (participates in β ladder)trans-93.2109.7167.9-178.766.6000108.8A329 L331 L342 M367 I386 V387 L389 L398 L400 L416A329-L340 HydrophobicContact CB-CD1 4.17Å; L331-L340 HydrophobicContact CD2-CD1 4.46Å; L340-L342 HydrophobicContact CD1-CD2 4.3Å; L340-L342 HydrophobicContact CD2-CD1 4.26Å; L340-L342 HydrophobicContact CD2-CD2 3.9Å; L340-L342 HydrophobicContact CD2-CG 4.22Å; L340-L342 HydrophobicContact CG-CD2 3.82Å; L340-L342 HydrophobicContact CG-CG 4.03Å; L340-M367 HydrophobicContact CD2-SD 3.67Å; L340-I386 WeakPolarHBondContact O-CA 3.27Å; L340-V387 HydrophobicContact CB-CB 4.27Å; L340-V387 PolarHBondContact N-O 3.39Å; L340-V387 PolarHBondContact O-N 3.09Å; L340-L389 HydrophobicContact CB-CD1 3.95Å; L340-L389 HydrophobicContact CB-CD2 4.38Å; L340-L389 HydrophobicContact CB-CG 4.11Å; L340-L398 HydrophobicContact CD1-CD2 4.03Å; L340-L398 HydrophobicContact CD2-CD2 4.16Å; L340-L400 HydrophobicContact CD2-CD1 4.36Å; L340-L400 HydrophobicContact CD2-CD2 3.91Å; L340-L416 HydrophobicContact CD1-CD1 4.22Å
341Q97.9Very high90.3Very high64 Ų6460.3 Ų60.330%0.29929%0.288SS..EExtended strand (participates in β ladder)trans-87.1127.9172.3-64-170.6-52.900109.9Q330 R332 I386Q330-Q341 PolarHBondContact N-O 2.71Å; Q330-Q341 PolarHBondContact O-N 3.28Å; R332-Q341 HydrophobicContact CB-CG 4.14Å; Q341-I386 HydrophobicContact CG-CG1 4.37Å
342L98.4Very high88.4Confident4 Ų464.1 Ų64.12%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-120.2134.6-177.7-60.9171.6000109.9I327 R328 A329 L340 I365 M380 Q384 D385 V387 L400I327-L342 HydrophobicContact CG2-CD2 3.89Å; R328-L342 WeakPolarHBondContact O-CA 3.43Å; A329-L342 HydrophobicContact CB-CD2 4.08Å; L340-L342 HydrophobicContact CD1-CD2 4.3Å; L340-L342 HydrophobicContact CD2-CD1 4.26Å; L340-L342 HydrophobicContact CD2-CD2 3.9Å; L340-L342 HydrophobicContact CD2-CG 4.22Å; L340-L342 HydrophobicContact CG-CD2 3.82Å; L340-L342 HydrophobicContact CG-CG 4.03Å; L342-I365 HydrophobicContact CD1-CD1 3.62Å; L342-M380 HydrophobicContact CB-CE 3.9Å; L342-M380 HydrophobicContact CB-SD 4.03Å; L342-Q384 VanDerWaalsContact O-CA 3.26Å; L342-Q384 WeakPolarHBondContact O-CA 3.27Å; L342-D385 PolarHBondContact N-O 2.89Å; L342-D385 PolarHBondContact O-N 3.02Å; L342-V387 HydrophobicContact CD1-CG2 3.86Å; L342-L400 HydrophobicContact CD2-CD1 4.02Å
343D97.4Very high86.1Confident24 Ų2465.1 Ų65.113%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-133.9124.7173.4174.5107.4000108.9R328 K345 R383 Q384R328-D343 HydrophobicContact CB-CB 4.36Å; R328-D343 PolarHBondContact N-O 3.25Å; R328-D343 PolarHBondContact O-N 3.44Å; D343-K345 WeakPolarHBondContact OD2-CE 3.42Å; D343-K345 WeakPolarHBondContact OD2-CG 3.45Å; D343-R383 WeakPolarHBondContact CA-O 3.36Å; D343-Q384 HydrophobicContact CB-CG 4.25Å; D343-Q384 WeakPolarHBondContact OD1-CG 3.23Å; D343-Q384 PolarHBondContact OD1-NE2 2.97Å
344Q96.7Very high84.2Confident1 Ų161.5 Ų61.51%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-101.9137.8177.165.9167.1-67.400111.6P325 V326 I327 W361 M380 K382 R383P325-Q344 HydrophobicContact CB-CB 4.2Å; V326-Q344 WeakPolarHBondContact O-CA 3.41Å; I327-Q344 HydrophobicContact CD1-CB 3.52Å; Q344-W361 PolarHBondContact NE2-O 3Å; Q344-W361 PolarHBondContact OE1-O 3.32Å; Q344-M380 HydrophobicContact CB-CE 4.07Å; Q344-M380 HydrophobicContact CB-SD 4.31Å; Q344-M380 HydrophobicContact CG-CE 3.98Å; Q344-M380 HydrophobicContact CG-SD 4.47Å; Q344-K382 PolarHBondContact NE2-O 2.93Å; Q344-R383 PolarHBondContact N-O 3.06Å
345K94.2Very high82.6Confident81 Ų8159.8 Ų59.835%0.35232%0.32SS..EExtended strand (participates in β ladder)trans-142.8144.4172.5-65-173.4178.5179.90110.5P325 V326 D343 F347P325-K345 CarbonylContact C-O 3.56Å; P325-K345 VanDerWaalsContact CA-O 3.27Å; P325-K345 WeakPolarHBondContact CA-O 3.28Å; V326-K345 HydrophobicContact CG1-CB 4.32Å; V326-K345 WeakPolarHBondContact CG1-O 3.37Å; V326-K345 PolarHBondContact N-O 2.91Å; V326-K345 PolarHBondContact O-N 2.8Å; D343-K345 WeakPolarHBondContact OD2-CE 3.42Å; D343-K345 WeakPolarHBondContact OD2-CG 3.45Å; K345-F347 PolarHBondContact O-N 2.81Å
346H93.4Very high81.3Confident24 Ų2454.3 Ų54.311%0.11129%0.293CS..EExtended strand (participates in β ladder)trans-54.8123.6170.8-177-165.4000110.8W361H346-W361 HydrophobicContact CB-CH2 3.88Å; H346-W361 HydrophobicContact CB-CZ3 4.06Å; H346-W361 AromaticContact CD2-CH2 3.83Å; H346-W361 AromaticContact CG-CH2 3.9Å
347F93.3Very high80.4Confident1 Ų152 Ų520%0.00428%0.28CS..  trans-89.4122.9177.5-179.4-96.2000111.1Y324 V326 K345 Y349 A443 F444 A447Y324-F347 HydrophobicContact CD2-CB 4.29Å; Y324-F347 HydrophobicContact CE2-CB 3.9Å; Y324-F347 AromaticContact CE2-CD1 3.7Å; Y324-F347 HydrophobicContact CE2-CD1 3.7Å; Y324-F347 HydrophobicContact CE2-CG 4.09Å; Y324-F347 AromaticContact CZ-CD1 3.6Å; Y324-F347 PolarHBondContact O-N 3.2Å; Y324-F347 WeakPolarHBondContact OH-CD1 3.19Å; Y324-F347 WeakPolarHBondContact OH-CE1 3.46Å; V326-F347 HydrophobicContact CB-CB 4.11Å; V326-F347 HydrophobicContact CB-CD2 4.22Å; V326-F347 HydrophobicContact CG1-CB 4.17Å; V326-F347 HydrophobicContact CG1-CD2 4.27Å; K345-F347 PolarHBondContact O-N 2.81Å; F347-Y349 HydrophobicContact CE1-CD1 4.38Å; F347-Y349 HydrophobicContact CE1-CE1 4.14Å; F347-Y349 HydrophobicContact CZ-CD1 4.22Å; F347-Y349 HydrophobicContact CZ-CE1 4.01Å; F347-A443 HydrophobicContact CE1-CB 4.5Å; F347-A443 HydrophobicContact CZ-CB 4.05Å; F347-F444 HydrophobicContact CD2-CD1 4.31Å; F347-F444 HydrophobicContact CD2-CE1 4.06Å; F347-F444 AromaticContact CE2-CD1 3.69Å; F347-F444 HydrophobicContact CE2-CD1 3.69Å; F347-F444 AromaticContact CE2-CE1 3.85Å; F347-F444 HydrophobicContact CE2-CE1 3.85Å; F347-A447 HydrophobicContact CE2-CB 4.08Å; F347-A447 HydrophobicContact CZ-CB 4.03Å
348V90Very high79.8Confident24 Ų2457.7 Ų57.715%0.14530%0.296CS..  trans-137.5144.7175.3-67.20000109.9S163S163-V348 WeakPolarHBondContact O-CA 3.31Å
349Y85.7Confident79.6Confident18 Ų1857.9 Ų57.97%0.07130%0.297CS..SBendtrans-74.3-38.2175.1-74.7-61.5000112.8S163 F347 A443 R446 A447 L707S163-Y349 PolarHBondContact O-N 2.84Å; S163-Y349 WeakPolarHBondContact OG-CD2 3.48Å; S163-Y349 WeakPolarHBondContact OG-CE2 3.4Å; F347-Y349 HydrophobicContact CE1-CD1 4.38Å; F347-Y349 HydrophobicContact CE1-CE1 4.14Å; F347-Y349 HydrophobicContact CZ-CD1 4.22Å; F347-Y349 HydrophobicContact CZ-CE1 4.01Å; Y349-A443 HydrophobicContact CE1-CB 4.44Å; Y349-A443 WeakPolarHBondContact CE1-O 3.49Å; Y349-R446 HydrophobicContact CD1-CB 4.2Å; Y349-R446 HydrophobicContact CD1-CG 4.03Å; Y349-R446 HydrophobicContact CE1-CB 3.75Å; Y349-R446 HydrophobicContact CE1-CG 3.77Å; Y349-A447 HydrophobicContact CD1-CB 3.88Å; Y349-L707 VanDerWaalsContact CB-CD2 3.42Å; Y349-L707 HydrophobicContact CD1-CD2 4Å; Y349-L707 HydrophobicContact CD2-CD1 3.41Å; Y349-L707 VanDerWaalsContact CD2-CD1 3.41Å; Y349-L707 HydrophobicContact CD2-CD2 3.59Å; Y349-L707 HydrophobicContact CD2-CG 4.16Å; Y349-L707 HydrophobicContact CE2-CD1 3.97Å; Y349-L707 HydrophobicContact CE2-CD2 4.29Å; Y349-L707 HydrophobicContact CG-CD1 4.1Å; Y349-L707 HydrophobicContact CG-CD2 3.41Å; Y349-L707 VanDerWaalsContact CG-CD2 3.41Å; Y349-L707 HydrophobicContact CG-CG 4.42Å
350T74.4Confident79.4Confident47 Ų4759.3 Ų59.329%0.28831%0.307SS..SBendtrans-108.7117.6-178.947.60000110.7H352T350-H352 PolarHBondContact O-N 2.77Å
351R60.5Low79.4Confident233 Ų23359.4 Ų59.488%0.87931%0.307SS*.  trans-70.593168.3-87.7-179.8168.8169.2-4.2109.2
352H56.9Low79.4Confident118 Ų11858 Ų5855%0.54630%0.3SS..  trans-88.8150.2160.3-80.1-25.3000110.5T350 G354 S355T350-H352 PolarHBondContact O-N 2.77Å; H352-G354 PolarHBondContact O-N 2.99Å; H352-S355 PolarHBondContact O-N 3.08Å
353S43.7Very low79.3Confident142 Ų14257.9 Ų57.999%0.99330%0.299SS*.THydrogen-bonded Turntrans-64.317.3-174.7490000115.3
354G48.5Very low79.3Confident51 Ų5157 Ų5753%0.52629%0.294SS..THydrogen-bonded Turntrans-14510.8174.600000113.5H352 S356H352-G354 PolarHBondContact O-N 2.99Å; G354-S356 PolarHBondContact O-N 2.81Å
355S53Low79.3Confident38 Ų3856.9 Ų56.927%0.26629%0.294SS..  trans-56.4117.6175.964.30000108.7H352 N357H352-S355 PolarHBondContact O-N 3.08Å; S355-N357 VanDerWaalsContact C-N 3.26Å; S355-N357 PolarHBondContact O-N 2.99Å
356S59.5Low79.4Confident19 Ų1953.6 Ų53.613%0.13328%0.281CS..  trans-61.778.4-166.5-45.50000112.2G354 W358 L359G354-S356 PolarHBondContact O-N 2.81Å; S356-W358 PolarHBondContact O-N 3.11Å; S356-W358 WeakPolarHBondContact OG-CZ2 3.27Å; S356-L359 PolarHBondContact O-N 3.48Å
357N67.1Low79.5Confident116 Ų11652.6 Ų52.662%0.6228%0.276SS*.THydrogen-bonded Turntrans-60.2-5.4174.7-94.5-12.6000112.3S355 R383S355-N357 VanDerWaalsContact C-N 3.26Å; S355-N357 PolarHBondContact O-N 2.99Å; N357-R383 VanDerWaalsContact O-CZ 3.32Å; N357-R383 PolarHBondContact O-NH2 3.44Å
358W77.2Confident79.5Confident174 Ų17452.6 Ų52.666%0.65928%0.276SS*.THydrogen-bonded Turntrans-90.6-1817560.983.1000114.2S356 T360S356-W358 PolarHBondContact O-N 3.11Å; S356-W358 WeakPolarHBondContact OG-CZ2 3.27Å; W358-T360 PolarHBondContact O-N 3.35Å
359L89.5Confident79.7Confident22 Ų2251.5 Ų51.512%0.11527%0.269CS..  trans-64.1136.5-179-65.1175.6000111Q321 S356 W361Q321-L359 HydrophobicContact CB-CD2 4.4Å; S356-L359 PolarHBondContact O-N 3.48Å; L359-W361 HydrophobicContact CB-CH2 3.64Å; L359-W361 HydrophobicContact CB-CZ2 4.35Å; L359-W361 HydrophobicContact CB-CZ3 3.84Å; L359-W361 HydrophobicContact CD1-CH2 4.14Å; L359-W361 HydrophobicContact CD1-CZ2 4.46Å
360T93.6Very high79.9Confident45 Ų4554.2 Ų54.228%0.27629%0.29SS..  trans-140.7152.1175.7510000108.8Q321 W358 R383Q321-T360 PolarHBondContact NE2-O 3.07Å; W358-T360 PolarHBondContact O-N 3.35Å; T360-R383 HydrophobicContact CG2-CB 4.33Å
361W96.4Very high80.7Confident1 Ų154.2 Ų54.20%0.00429%0.291CS..  trans-124.8151.2177.4-65.7-101.9000109.6Q317 W318 Q321 P325 Q344 H346 L359 V363Q317-W361 PolarHBondContact O-NE1 2.92Å; W318-W361 AromaticContact CD2-CD1 3.58Å; W318-W361 HydrophobicContact CD2-CG 4.41Å; W318-W361 AromaticContact CE2-CD1 3.84Å; W318-W361 AromaticContact CE3-CD1 3.6Å; W318-W361 HydrophobicContact CE3-CG 4.44Å; W318-W361 AromaticContact CE3-NE1 3.97Å; W318-W361 HydrophobicContact CH2-CB 4.31Å; W318-W361 HydrophobicContact CH2-CG 4.29Å; W318-W361 HydrophobicContact CZ2-CB 3.88Å; W318-W361 HydrophobicContact CZ2-CG 4.23Å; W318-W361 AromaticContact CZ3-CD1 3.9Å; W318-W361 HydrophobicContact CZ3-CG 4.37Å; Q321-W361 HydrophobicContact CG-CZ2 4.44Å; P325-W361 HydrophobicContact CB-CD2 4.45Å; P325-W361 HydrophobicContact CB-CE3 3.73Å; P325-W361 HydrophobicContact CB-CZ3 4.06Å; P325-W361 HydrophobicContact CG-CB 4.35Å; P325-W361 HydrophobicContact CG-CD2 4.1Å; P325-W361 HydrophobicContact CG-CE3 3.86Å; P325-W361 HydrophobicContact CG-CG 4.32Å; Q344-W361 PolarHBondContact NE2-O 3Å; Q344-W361 PolarHBondContact OE1-O 3.32Å; H346-W361 HydrophobicContact CB-CH2 3.88Å; H346-W361 HydrophobicContact CB-CZ3 4.06Å; H346-W361 AromaticContact CD2-CH2 3.83Å; H346-W361 AromaticContact CG-CH2 3.9Å; L359-W361 HydrophobicContact CB-CH2 3.64Å; L359-W361 HydrophobicContact CB-CZ2 4.35Å; L359-W361 HydrophobicContact CB-CZ3 3.84Å; L359-W361 HydrophobicContact CD1-CH2 4.14Å; L359-W361 HydrophobicContact CD1-CZ2 4.46Å; W361-V363 HydrophobicContact CB-CG2 3.76Å; W361-V363 PolarHBondContact O-N 3.11Å
362K97.3Very high82.1Confident36 Ų3643.5 Ų43.516%0.15725%0.251CS..  trans-78.4107.6159.4-74.2-170.2172.2-164.70107E310 M314 W318 L379 M380 D381E310-K362 IonicContact OE1-NZ 2.74Å; E310-K362 PolarHBondContact OE1-NZ 3.26Å; E310-K362 IonicContact OE2-NZ 3.85Å; E310-K362 PolarHBondContact OE2-NZ 3.42Å; M314-K362 HydrophobicContact CB-CB 4.08Å; M314-K362 HydrophobicContact CB-CD 4.42Å; M314-K362 HydrophobicContact CG-CB 3.86Å; M314-K362 WeakPolarHBondContact CG-O 3.29Å; W318-K362 PolarHBondContact NE1-O 3.44Å; K362-L379 HydrophobicContact CB-CD1 4.24Å; K362-M380 CarbonylContact C-O 3.59Å; K362-M380 WeakPolarHBondContact CA-O 3.34Å; K362-D381 HydrophobicContact CG-CB 4.34Å
363V97.8Very high83.5Confident0 Ų046.4 Ų46.40%026%0.264CS..EExtended strand (participates in β ladder)trans-108.2115.2-170.4-171.30000109.8W318 P325 I327 W361 I365 M380 Y408W318-V363 HydrophobicContact CH2-CG2 4.46Å; W318-V363 HydrophobicContact CZ2-CB 4.43Å; W318-V363 HydrophobicContact CZ2-CG1 4.34Å; W318-V363 HydrophobicContact CZ2-CG2 4Å; P325-V363 HydrophobicContact CG-CG2 3.88Å; I327-V363 HydrophobicContact CD1-CG1 4.36Å; I327-V363 HydrophobicContact CD1-CG2 4.25Å; W361-V363 HydrophobicContact CB-CG2 3.76Å; W361-V363 PolarHBondContact O-N 3.11Å; V363-I365 HydrophobicContact CB-CG1 4.3Å; V363-I365 HydrophobicContact CG1-CG1 3.89Å; V363-I365 PolarHBondContact O-N 2.93Å; V363-I365 VanDerWaalsContact O-N 3.08Å; V363-M380 HydrophobicContact CB-CB 4.39Å; V363-M380 PolarHBondContact N-O 2.9Å; V363-M380 PolarHBondContact O-N 3.49Å; V363-Y408 HydrophobicContact CG1-CD1 3.39Å; V363-Y408 HydrophobicContact CG1-CD2 4.45Å; V363-Y408 HydrophobicContact CG1-CE1 3.43Å; V363-Y408 VanDerWaalsContact CG1-CE1 3.43Å; V363-Y408 HydrophobicContact CG1-CE2 4.46Å; V363-Y408 HydrophobicContact CG1-CG 3.94Å
364P96.4Very high85.5Confident5 Ų540.7 Ų40.73%0.03222%0.224CC..EExtended strand (participates in β ladder)trans-75.995.5172.130.4-32.2000109.3M198 Y202 M314 T366 V377 L379M198-P364 HydrophobicContact CG-CG 3.72Å; M198-P364 HydrophobicContact SD-CG 3.92Å; Y202-P364 HydrophobicContact CD2-CB 3.77Å; Y202-P364 HydrophobicContact CG-CB 4.34Å; M314-P364 HydrophobicContact SD-CB 4.48Å; M314-P364 HydrophobicContact SD-CG 4.08Å; P364-T366 PolarHBondContact O-N 3.15Å; P364-V377 HydrophobicContact CB-CG1 4.34Å; P364-L379 HydrophobicContact CB-CD1 4.4Å
365I97.1Very high87.5Confident0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-82.9110.1-178.4-62.5176.5000109.5I327 L342 V363 M367 V377 H378 M380 L400 Y408I327-I365 HydrophobicContact CG2-CD1 4.12Å; L342-I365 HydrophobicContact CD1-CD1 3.62Å; V363-I365 HydrophobicContact CB-CG1 4.3Å; V363-I365 HydrophobicContact CG1-CG1 3.89Å; V363-I365 PolarHBondContact O-N 2.93Å; V363-I365 VanDerWaalsContact O-N 3.08Å; I365-M367 HydrophobicContact CG2-CG 4.08Å; I365-V377 CarbonylContact O-C 3.44Å; I365-V377 WeakPolarHBondContact O-CA 3.35Å; I365-H378 WeakPolarHBondContact CB-O 3.33Å; I365-H378 PolarHBondContact N-O 3.39Å; I365-H378 PolarHBondContact O-N 2.98Å; I365-M380 HydrophobicContact CD1-CB 3.75Å; I365-M380 HydrophobicContact CD1-CG 4.38Å; I365-M380 HydrophobicContact CD1-SD 3.78Å; I365-M380 HydrophobicContact CG1-CB 4.37Å; I365-L400 HydrophobicContact CG2-CD2 4.31Å; I365-Y408 WeakPolarHBondContact CA-OH 3.37Å
366T95.9Very high89.3Confident11 Ų1141 Ų417%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-85.4140.517250.10000110.3P364 T375 R376 V377 L400 N401 V402 S405P364-T366 PolarHBondContact O-N 3.15Å; T366-T375 HydrophobicContact CG2-CG2 4.32Å; T366-R376 CarbonylContact C-O 3.03Å; T366-R376 VanDerWaalsContact CA-O 3.29Å; T366-R376 WeakPolarHBondContact CA-O 3.46Å; T366-V377 HydrophobicContact CG2-CG2 4.24Å; T366-L400 CarbonylContact O-C 3.49Å; T366-L400 VanDerWaalsContact O-CA 3.29Å; T366-L400 WeakPolarHBondContact O-CA 3.16Å; T366-N401 PolarHBondContact O-N 3.37Å; T366-N401 VanDerWaalsContact OG1-CA 3.31Å; T366-N401 WeakPolarHBondContact OG1-CA 3.34Å; T366-V402 PolarHBondContact OG1-N 3.25Å; T366-S405 WeakPolarHBondContact CG2-OG 3.2Å; T366-S405 PolarHBondContact OG1-OG 3.05Å; T366-S405 VanDerWaalsContact OG1-OG 3.06Å
367M95.6Very high90.9Very high3 Ų343.1 Ų43.12%0.01522%0.217CC..EExtended strand (participates in β ladder)trans-137.4135.2-178.1-46.1-168.8-57.200112.1L340 I365 F372 T375 R376 V387 L389 L398 K399 L400L340-M367 HydrophobicContact CD2-SD 3.67Å; I365-M367 HydrophobicContact CG2-CG 4.08Å; M367-F372 HydrophobicContact CB-CE2 4.25Å; M367-F372 HydrophobicContact CE-CE2 4.46Å; M367-T375 WeakPolarHBondContact O-CA 3.43Å; M367-R376 HydrophobicContact CE-CB 4.12Å; M367-R376 PolarHBondContact N-O 2.66Å; M367-R376 PolarHBondContact O-N 3.04Å; M367-V387 HydrophobicContact CE-CG1 4.18Å; M367-L389 HydrophobicContact CE-CD2 3.95Å; M367-L389 HydrophobicContact SD-CD2 4.47Å; M367-L398 HydrophobicContact CB-CD1 4.3Å; M367-K399 WeakPolarHBondContact CA-O 2.99Å; M367-L400 HydrophobicContact CB-CD2 4.08Å; M367-L400 HydrophobicContact CG-CD2 3.5Å; M367-L400 HydrophobicContact SD-CD2 3.74Å
368M94.1Very high92.1Very high2 Ų239.9 Ų39.91%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-130.9145.1170.374-176.1-72.500111.4I209 W397 K399 V402 P430I209-M368 HydrophobicContact CD1-CB 4.45Å; I209-M368 HydrophobicContact CG2-CE 4.43Å; M368-W397 HydrophobicContact CE-CH2 3.7Å; M368-W397 HydrophobicContact CE-CZ3 4.34Å; M368-W397 HydrophobicContact CG-CH2 3.94Å; M368-W397 HydrophobicContact CG-CZ3 3.71Å; M368-W397 VanDerWaalsContact O-CZ3 3.23Å; M368-W397 WeakPolarHBondContact O-CZ3 2.88Å; M368-W397 HydrophobicContact SD-CH2 4.42Å; M368-W397 HydrophobicContact SD-CZ3 4.49Å; M368-K399 HydrophobicContact CG-CB 3.81Å; M368-K399 HydrophobicContact CG-CG 4.32Å; M368-K399 PolarHBondContact N-O 2.82Å; M368-K399 PolarHBondContact O-N 3.24Å; M368-K399 HydrophobicContact SD-CB 4.44Å; M368-K399 HydrophobicContact SD-CG 4.45Å; M368-V402 HydrophobicContact CB-CG1 4.46Å; M368-V402 HydrophobicContact CB-CG2 3.72Å; M368-V402 HydrophobicContact CG-CG1 4.23Å; M368-V402 HydrophobicContact CG-CG2 3.67Å; M368-V402 HydrophobicContact SD-CB 4.41Å; M368-V402 HydrophobicContact SD-CG1 3.55Å; M368-V402 VanDerWaalsContact SD-CG1 3.55Å; M368-V402 HydrophobicContact SD-CG2 4.08Å; M368-P430 HydrophobicContact CE-CG 4.41Å
369S94.3Very high93Very high0 Ų033.8 Ų33.80%018%0.178CC..  trans-158.4154.3178.2171.20000108.5I209 C371 F372 W397I209-S369 VanDerWaalsContact CD1-O 3.23Å; I209-S369 WeakPolarHBondContact CD1-O 3.44Å; S369-C371 PolarHBondContact O-N 3.37Å; S369-C371 PolarHBondContact OG-SG 2.95Å; S369-F372 PolarHBondContact O-N 3.05Å; S369-W397 WeakPolarHBondContact CB-O 3.4Å; S369-W397 PolarHBondContact OG-O 3.08Å; S369-W397 VanDerWaalsContact OG-O 3.1Å
370P89.8Confident93.3Very high76 Ų7632.7 Ų32.749%0.49417%0.172SC..THydrogen-bonded Turntrans-59.2-18.9177.4-24.936.2000114.8W397P370-W397 HydrophobicContact CG-CD2 4.2Å; P370-W397 VanDerWaalsContact CG-CE2 3.4Å; P370-W397 HydrophobicContact CG-CG 4.48Å; P370-W397 HydrophobicContact CG-CZ2 3.6Å; P370-W397 VanDerWaalsContact CG-NE1 3.25Å
371C89.7Confident93.3Very high46 Ų4634.3 Ų34.331%0.31118%0.179SC..THydrogen-bonded Turntrans-89.2-2.6177.865.10000114S369S369-C371 PolarHBondContact O-N 3.37Å; S369-C371 PolarHBondContact OG-SG 2.95Å
372F90.7Very high93.2Very high9 Ų940 Ų404%0.03920%0.204CC..  trans-99.2144.1175.8-52.7-26000109.8I209 M367 S369 S374 R376 L389 L398I209-F372 HydrophobicContact CD1-CB 4.2Å; I209-F372 WeakPolarHBondContact CD1-O 3.31Å; M367-F372 HydrophobicContact CB-CE2 4.25Å; M367-F372 HydrophobicContact CE-CE2 4.46Å; S369-F372 PolarHBondContact O-N 3.05Å; F372-S374 WeakPolarHBondContact CB-O 2.96Å; F372-R376 HydrophobicContact CD2-CG 4.4Å; F372-L389 HydrophobicContact CZ-CD2 4.15Å; F372-L398 HydrophobicContact CE2-CD1 3.65Å; F372-L398 HydrophobicContact CZ-CD1 4.03Å
373E86.5Confident93.2Very high179 Ų17943.5 Ų43.584%0.83622%0.216SC*.SBendtrans-79.7-35.7176.8-64.4-176.8168.600111.9S208 I209S208-E373 PolarHBondContact OG-O 2.82Å; I209-E373 PolarHBondContact N-O 3.18Å
374S86.5Confident93.1Very high22 Ų2249.7 Ų49.715%0.15425%0.245CC..BIsolated β-bridgetrans-129.4164.6179.354.60000110.6E206 V207 F372 R376E206-S374 PolarHBondContact OE2-OG 2.92Å; V207-S374 WeakPolarHBondContact O-CA 3.35Å; V207-S374 WeakPolarHBondContact O-CB 3.45Å; F372-S374 WeakPolarHBondContact CB-O 2.96Å; S374-R376 PolarHBondContact O-N 2.93Å
375T89.1Confident93.1Very high9 Ų951 Ų516%0.05525%0.252CS..  trans-66125.9164.7-82.50000109.3V207 Q212 T366 M367 V402V207-T375 PolarHBondContact O-N 3.43Å; Q212-T375 VanDerWaalsContact CD-OG1 3.3Å; Q212-T375 PolarHBondContact NE2-OG1 3.35Å; Q212-T375 PolarHBondContact OE1-OG1 2.87Å; T366-T375 HydrophobicContact CG2-CG2 4.32Å; M367-T375 WeakPolarHBondContact O-CA 3.43Å; T375-V402 HydrophobicContact CG2-CB 4.31Å; T375-V402 HydrophobicContact CG2-CG2 4.14Å
376R91.6Very high93.1Very high85 Ų8555 Ų5532%0.32127%0.272SS..EExtended strand (participates in β ladder)trans-88.7146.8177-65.1-175.1176.3-1760.7110.5T366 M367 F372 S374T366-R376 CarbonylContact C-O 3.03Å; T366-R376 VanDerWaalsContact CA-O 3.29Å; T366-R376 WeakPolarHBondContact CA-O 3.46Å; M367-R376 HydrophobicContact CE-CB 4.12Å; M367-R376 PolarHBondContact N-O 2.66Å; M367-R376 PolarHBondContact O-N 3.04Å; F372-R376 HydrophobicContact CD2-CG 4.4Å; S374-R376 PolarHBondContact O-N 2.93Å
377V91.8Very high93.1Very high64 Ų6455.2 Ų55.239%0.38827%0.274SS..EExtended strand (participates in β ladder)trans-118.5127.1173.9-170.50000109.6Y202 P364 I365 T366Y202-V377 HydrophobicContact CD2-CG1 4.36Å; P364-V377 HydrophobicContact CB-CG1 4.34Å; I365-V377 CarbonylContact O-C 3.44Å; I365-V377 WeakPolarHBondContact O-CA 3.35Å; T366-V377 HydrophobicContact CG2-CG2 4.24Å
378H94.2Very high93.1Very high49 Ų4961.1 Ų61.123%0.22730%0.301CS..EExtended strand (participates in β ladder)trans-121.8120.8174178.573.7000110I365 M380 D385 V387I365-H378 WeakPolarHBondContact CB-O 3.33Å; I365-H378 PolarHBondContact N-O 3.39Å; I365-H378 PolarHBondContact O-N 2.98Å; H378-M380 PolarHBondContact O-N 2.69Å; H378-D385 IonicContact CD2-OD2 3.57Å; H378-D385 IonicContact CE1-OD2 2.67Å; H378-D385 IonicContact NE2-OD2 2.92Å; H378-D385 PolarHBondContact NE2-OD2 3.24Å; H378-V387 HydrophobicContact CB-CG2 4.42Å
379L95.4Very high93.1Very high45 Ų4561.1 Ų61.124%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-84.7100.1176.7-173.365.6000110Y202 M314 K362 P364 D381Y202-L379 HydrophobicContact CE2-CD1 4.26Å; M314-L379 HydrophobicContact SD-CD1 3.78Å; K362-L379 HydrophobicContact CB-CD1 4.24Å; P364-L379 HydrophobicContact CB-CD1 4.4Å; L379-D381 PolarHBondContact O-N 3Å
380M96.3Very high92.7Very high0 Ų064.9 Ų64.90%033%0.326CS..EExtended strand (participates in β ladder)trans-77.5110.1175.1-178.4-179.9-17000109.6I327 L342 Q344 K362 V363 I365 H378 K382 R383 D385I327-M380 HydrophobicContact CD1-SD 4.26Å; L342-M380 HydrophobicContact CB-CE 3.9Å; L342-M380 HydrophobicContact CB-SD 4.03Å; Q344-M380 HydrophobicContact CB-CE 4.07Å; Q344-M380 HydrophobicContact CB-SD 4.31Å; Q344-M380 HydrophobicContact CG-CE 3.98Å; Q344-M380 HydrophobicContact CG-SD 4.47Å; K362-M380 CarbonylContact C-O 3.59Å; K362-M380 WeakPolarHBondContact CA-O 3.34Å; V363-M380 HydrophobicContact CB-CB 4.39Å; V363-M380 PolarHBondContact N-O 2.9Å; V363-M380 PolarHBondContact O-N 3.49Å; I365-M380 HydrophobicContact CD1-CB 3.75Å; I365-M380 HydrophobicContact CD1-CG 4.38Å; I365-M380 HydrophobicContact CD1-SD 3.78Å; I365-M380 HydrophobicContact CG1-CB 4.37Å; H378-M380 PolarHBondContact O-N 2.69Å; M380-K382 VanDerWaalsContact CE-O 3.27Å; M380-K382 WeakPolarHBondContact CE-O 3.34Å; M380-R383 VanDerWaalsContact CE-O 3.29Å; M380-R383 WeakPolarHBondContact CE-O 3.48Å; M380-D385 HydrophobicContact CE-CB 4.09Å; M380-D385 HydrophobicContact CG-CB 4.04Å
381D93.6Very high92.6Very high78 Ų7864.3 Ų64.342%0.41733%0.334SS..  trans-102.9-8.3-176.972.2-16.5000114.1K362 L379K362-D381 HydrophobicContact CG-CB 4.34Å; L379-D381 PolarHBondContact O-N 3Å
382K94.2Very high92.8Very high122 Ų12262.5 Ų62.553%0.5332%0.321SS..SBendtrans-117.8166.3-176.7-72.5157.1-161.81660111.7Q344 M380 Q384Q344-K382 PolarHBondContact NE2-O 2.93Å; M380-K382 VanDerWaalsContact CE-O 3.27Å; M380-K382 WeakPolarHBondContact CE-O 3.34Å; K382-Q384 VanDerWaalsContact C-N 3.29Å; K382-Q384 WeakPolarHBondContact CB-O 3.06Å; K382-Q384 PolarHBondContact O-N 3.02Å
383R95.6Very high92.8Very high108 Ų10868.7 Ų68.741%0.40835%0.347SS..SBendtrans-60.6-39.6173179.1168.7-68.4-175.3-4112.8D343 Q344 N357 T360 M380D343-R383 WeakPolarHBondContact CA-O 3.36Å; Q344-R383 PolarHBondContact N-O 3.06Å; N357-R383 VanDerWaalsContact O-CZ 3.32Å; N357-R383 PolarHBondContact O-NH2 3.44Å; T360-R383 HydrophobicContact CG2-CB 4.33Å; M380-R383 VanDerWaalsContact CE-O 3.29Å; M380-R383 WeakPolarHBondContact CE-O 3.48Å
384Q97Very high92.9Very high130 Ų13063.9 Ų63.961%0.60733%0.334SS*.EExtended strand (participates in β ladder)trans-128.7141.7178.2-68.9-178.5-14.900108.4L342 D343 K382L342-Q384 VanDerWaalsContact O-CA 3.26Å; L342-Q384 WeakPolarHBondContact O-CA 3.27Å; D343-Q384 HydrophobicContact CB-CG 4.25Å; D343-Q384 WeakPolarHBondContact OD1-CG 3.23Å; D343-Q384 PolarHBondContact OD1-NE2 2.97Å; K382-Q384 VanDerWaalsContact C-N 3.29Å; K382-Q384 WeakPolarHBondContact CB-O 3.06Å; K382-Q384 PolarHBondContact O-N 3.02Å
385D96.9Very high93.2Very high33 Ų3367.4 Ų67.418%0.17636%0.358CS..EExtended strand (participates in β ladder)trans-148.4160.2-178.9-151.5-5.2000110.8L342 H378 M380L342-D385 PolarHBondContact N-O 2.89Å; L342-D385 PolarHBondContact O-N 3.02Å; H378-D385 IonicContact CD2-OD2 3.57Å; H378-D385 IonicContact CE1-OD2 2.67Å; H378-D385 IonicContact NE2-OD2 2.92Å; H378-D385 PolarHBondContact NE2-OD2 3.24Å; M380-D385 HydrophobicContact CE-CB 4.09Å; M380-D385 HydrophobicContact CG-CB 4.04Å
386I96.5Very high93.4Very high84 Ų8469.6 Ų69.643%0.43137%0.368SS..EExtended strand (participates in β ladder)trans-131.5124.9178.7-59.4-178.2000108.3L339 L340 Q341L339-I386 HydrophobicContact CB-CG2 3.94Å; L339-I386 HydrophobicContact CD1-CG2 4.12Å; L339-I386 HydrophobicContact CD2-CG2 4.11Å; L339-I386 HydrophobicContact CG-CG2 4.29Å; L340-I386 WeakPolarHBondContact O-CA 3.27Å; Q341-I386 HydrophobicContact CG-CG1 4.37Å
387V96.1Very high93.6Very high16 Ų1666.4 Ų66.410%0.09736%0.356CS..EExtended strand (participates in β ladder)trans-112.5126.2176.5-174.90000109L340 L342 M367 H378 L389L340-V387 HydrophobicContact CB-CB 4.27Å; L340-V387 PolarHBondContact N-O 3.39Å; L340-V387 PolarHBondContact O-N 3.09Å; L342-V387 HydrophobicContact CD1-CG2 3.86Å; M367-V387 HydrophobicContact CE-CG1 4.18Å; H378-V387 HydrophobicContact CB-CG2 4.42Å; V387-L389 HydrophobicContact CG1-CD2 4.34Å
388E94.6Very high93.9Very high127 Ų12763.3 Ų63.359%0.59334%0.337SS*.EExtended strand (participates in β ladder)trans-72.4136.9171.9-64.6-174.5-178.900110.4V337 L339 P390V337-E388 HydrophobicContact CG1-CB 4.32Å; V337-E388 HydrophobicContact CG1-CG 4.37Å; L339-E388 HydrophobicContact CD2-CB 4.4Å; L339-E388 HydrophobicContact CD2-CG 3.75Å; E388-P390 VanDerWaalsContact C-CD 3.46Å; E388-P390 VanDerWaalsContact O-CD 3.29Å; E388-P390 WeakPolarHBondContact O-CD 3.34Å
389L94Very high94Very high1 Ų161 Ų611%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-117.377.7177.1-56.4-178.1000110.6L331 M338 L340 M367 F372 V387 G391 F392 L398L331-L389 HydrophobicContact CD2-CD1 4.06Å; M338-L389 HydrophobicContact CB-CB 4.2Å; M338-L389 PolarHBondContact O-N 3.05Å; L340-L389 HydrophobicContact CB-CD1 3.95Å; L340-L389 HydrophobicContact CB-CD2 4.38Å; L340-L389 HydrophobicContact CB-CG 4.11Å; M367-L389 HydrophobicContact CE-CD2 3.95Å; M367-L389 HydrophobicContact SD-CD2 4.47Å; F372-L389 HydrophobicContact CZ-CD2 4.15Å; V387-L389 HydrophobicContact CG1-CD2 4.34Å; L389-G391 PolarHBondContact O-N 3.14Å; L389-F392 HydrophobicContact CB-CB 3.6Å; L389-F392 HydrophobicContact CB-CG 4.19Å; L389-F392 HydrophobicContact CD1-CB 4.34Å; L389-F392 HydrophobicContact CD1-CD1 3.89Å; L389-F392 HydrophobicContact CD1-CE1 4.38Å; L389-F392 HydrophobicContact CD1-CG 4.02Å; L389-F392 WeakPolarHBondContact O-CB 3.49Å; L389-F392 PolarHBondContact O-N 3.15Å; L389-L398 HydrophobicContact CD1-CD2 3.75Å
390P87.1Confident94.1Very high79 Ų7958.9 Ų58.951%0.51332%0.315SS..THydrogen-bonded Turntrans-56.8129.2179.2-23.532.4000111.9E388 F392E388-P390 VanDerWaalsContact C-CD 3.46Å; E388-P390 VanDerWaalsContact O-CD 3.29Å; E388-P390 WeakPolarHBondContact O-CD 3.34Å; P390-F392 PolarHBondContact O-N 3.02Å
391G86.9Confident94.2Very high64 Ų6458.9 Ų58.966%0.6632%0.315SS*.THydrogen-bonded Turntrans74.6-4.5177.500000115.8L389L389-G391 PolarHBondContact O-N 3.14Å
392F93.1Very high94.3Very high9 Ų955.3 Ų55.34%0.03930%0.297CS..  trans-71.7136.4176.7-177.4-96.6000110.9L331 M338 L389 P390 Q396 L398L331-F392 HydrophobicContact CD1-CE1 3.83Å; L331-F392 HydrophobicContact CD2-CD1 4.38Å; L331-F392 HydrophobicContact CD2-CE1 3.91Å; M338-F392 HydrophobicContact CB-CB 4.41Å; M338-F392 HydrophobicContact CB-CD1 4.12Å; M338-F392 HydrophobicContact CG-CD1 4.07Å; M338-F392 VanDerWaalsContact CG-O 3.24Å; M338-F392 WeakPolarHBondContact CG-O 3.37Å; L389-F392 HydrophobicContact CB-CB 3.6Å; L389-F392 HydrophobicContact CB-CG 4.19Å; L389-F392 HydrophobicContact CD1-CB 4.34Å; L389-F392 HydrophobicContact CD1-CD1 3.89Å; L389-F392 HydrophobicContact CD1-CE1 4.38Å; L389-F392 HydrophobicContact CD1-CG 4.02Å; L389-F392 WeakPolarHBondContact O-CB 3.49Å; L389-F392 PolarHBondContact O-N 3.15Å; P390-F392 PolarHBondContact O-N 3.02Å; F392-Q396 HydrophobicContact CD2-CB 4.37Å; F392-Q396 HydrophobicContact CE2-CB 3.87Å; F392-Q396 HydrophobicContact CZ-CB 4.33Å; F392-Q396 WeakPolarHBondContact CZ-O 2.75Å; F392-L398 HydrophobicContact CE2-CB 3.79Å; F392-L398 HydrophobicContact CZ-CB 3.81Å
393K91.3Very high94.2Very high138 Ų13851 Ų5160%0.629%0.286SS*.  trans-113143.4174.6-63.3-179.5-178.61780110S395 Q396K393-S395 PolarHBondContact O-N 3.03Å; K393-Q396 HydrophobicContact CB-CG 4.37Å; K393-Q396 WeakPolarHBondContact O-CB 2.99Å; K393-Q396 PolarHBondContact O-N 2.9Å
394S90Very high94.2Very high79 Ų7946.1 Ų46.155%0.55227%0.268SS*.THydrogen-bonded Turntrans-61.1-14.4179.859.20000115
395S91.4Very high94.1Very high95 Ų9540.1 Ų40.166%0.66424%0.241SC*.THydrogen-bonded Turntrans-81.8-15172.258.80000114K393K393-S395 PolarHBondContact O-N 3.03Å
396Q94Very high94Very high56 Ų5638.7 Ų38.726%0.26223%0.233SC..SBendtrans-85.3152.4176.6-64.9171.7-4100110.2F392 K393F392-Q396 HydrophobicContact CD2-CB 4.37Å; F392-Q396 HydrophobicContact CE2-CB 3.87Å; F392-Q396 HydrophobicContact CZ-CB 4.33Å; F392-Q396 WeakPolarHBondContact CZ-O 2.75Å; K393-Q396 HydrophobicContact CB-CG 4.37Å; K393-Q396 WeakPolarHBondContact O-CB 2.99Å; K393-Q396 PolarHBondContact O-N 2.9Å
397W95.7Very high94.1Very high17 Ų1734.7 Ų34.76%0.06421%0.213CC..  trans-84.9148.1174.463.1-100.1000110.7M368 S369 P370 K399 P419 M420 E423 L429M368-W397 HydrophobicContact CE-CH2 3.7Å; M368-W397 HydrophobicContact CE-CZ3 4.34Å; M368-W397 HydrophobicContact CG-CH2 3.94Å; M368-W397 HydrophobicContact CG-CZ3 3.71Å; M368-W397 VanDerWaalsContact O-CZ3 3.23Å; M368-W397 WeakPolarHBondContact O-CZ3 2.88Å; M368-W397 HydrophobicContact SD-CH2 4.42Å; M368-W397 HydrophobicContact SD-CZ3 4.49Å; S369-W397 WeakPolarHBondContact CB-O 3.4Å; S369-W397 PolarHBondContact OG-O 3.08Å; S369-W397 VanDerWaalsContact OG-O 3.1Å; P370-W397 HydrophobicContact CG-CD2 4.2Å; P370-W397 VanDerWaalsContact CG-CE2 3.4Å; P370-W397 HydrophobicContact CG-CG 4.48Å; P370-W397 HydrophobicContact CG-CZ2 3.6Å; P370-W397 VanDerWaalsContact CG-NE1 3.25Å; W397-K399 HydrophobicContact CE3-CB 4.23Å; W397-K399 HydrophobicContact CZ3-CB 3.92Å; W397-P419 HydrophobicContact CB-CB 3.94Å; W397-M420 HydrophobicContact CB-CG 3.81Å; W397-E423 HydrophobicContact CG-CG 4.27Å; W397-L429 HydrophobicContact CD2-CD2 4.23Å; W397-L429 HydrophobicContact CE3-CD2 3.92Å; W397-L429 HydrophobicContact CH2-CD2 3.78Å; W397-L429 HydrophobicContact CZ2-CD2 4.03Å; W397-L429 HydrophobicContact CZ3-CD2 3.68Å
398L97.1Very high94.2Very high0 Ų034 Ų340%021%0.208CC..  trans-134.5115.2176.4176.467.8000108.2L340 M367 F372 L389 F392 L400 L416L340-L398 HydrophobicContact CD1-CD2 4.03Å; L340-L398 HydrophobicContact CD2-CD2 4.16Å; M367-L398 HydrophobicContact CB-CD1 4.3Å; F372-L398 HydrophobicContact CE2-CD1 3.65Å; F372-L398 HydrophobicContact CZ-CD1 4.03Å; L389-L398 HydrophobicContact CD1-CD2 3.75Å; F392-L398 HydrophobicContact CE2-CB 3.79Å; F392-L398 HydrophobicContact CZ-CB 3.81Å; L398-L400 HydrophobicContact CD2-CD2 4.27Å; L398-L400 HydrophobicContact CG-CD2 4.17Å; L398-L416 HydrophobicContact CB-CD2 4.02Å; L398-L416 HydrophobicContact CD2-CD2 4.07Å
399K97.2Very high94.3Very high0 Ų028 Ų280%018%0.18CC..EExtended strand (participates in β ladder)trans-100.4123.3176.3175.960.9176.648.10108.7M367 M368 W397 N401 Y412 M420 D433 V437M367-K399 WeakPolarHBondContact CA-O 2.99Å; M368-K399 HydrophobicContact CG-CB 3.81Å; M368-K399 HydrophobicContact CG-CG 4.32Å; M368-K399 PolarHBondContact N-O 2.82Å; M368-K399 PolarHBondContact O-N 3.24Å; M368-K399 HydrophobicContact SD-CB 4.44Å; M368-K399 HydrophobicContact SD-CG 4.45Å; W397-K399 HydrophobicContact CE3-CB 4.23Å; W397-K399 HydrophobicContact CZ3-CB 3.92Å; K399-N401 PolarHBondContact NZ-O 3.13Å; K399-Y412 WeakPolarHBondContact CD-OH 3.18Å; K399-M420 HydrophobicContact CD-SD 4.42Å; K399-D433 HydrophobicContact CD-CB 4.28Å; K399-D433 WeakPolarHBondContact CE-O 3.36Å; K399-D433 VanDerWaalsContact CE-OD1 3.28Å; K399-D433 WeakPolarHBondContact CE-OD1 3.42Å; K399-D433 HydrophobicContact CG-CB 4.18Å; K399-D433 IonicContact NZ-OD1 3.87Å; K399-D433 PolarHBondContact NZ-OD1 3.4Å; K399-V437 HydrophobicContact CD-CG2 4.43Å
400L98.1Very high94.6Very high0 Ų028 Ų280%018%0.181CC..EExtended strand (participates in β ladder)trans-97.7158.8170.5-53-178.2000110A329 L340 L342 I365 T366 M367 L398 V410 Y412A329-L400 HydrophobicContact CB-CD1 3.48Å; A329-L400 VanDerWaalsContact CB-CD1 3.48Å; L340-L400 HydrophobicContact CD2-CD1 4.36Å; L340-L400 HydrophobicContact CD2-CD2 3.91Å; L342-L400 HydrophobicContact CD2-CD1 4.02Å; I365-L400 HydrophobicContact CG2-CD2 4.31Å; T366-L400 CarbonylContact O-C 3.49Å; T366-L400 VanDerWaalsContact O-CA 3.29Å; T366-L400 WeakPolarHBondContact O-CA 3.16Å; M367-L400 HydrophobicContact CB-CD2 4.08Å; M367-L400 HydrophobicContact CG-CD2 3.5Å; M367-L400 HydrophobicContact SD-CD2 3.74Å; L398-L400 HydrophobicContact CD2-CD2 4.27Å; L398-L400 HydrophobicContact CG-CD2 4.17Å; L400-V410 HydrophobicContact CB-CG1 4.14Å; L400-V410 HydrophobicContact CB-CG2 4.15Å; L400-V410 HydrophobicContact CD1-CG1 4.02Å; L400-Y412 HydrophobicContact CB-CE1 4.4Å; L400-Y412 HydrophobicContact CD1-CE1 4.47Å; L400-Y412 HydrophobicContact CG-CE1 4.14Å; L400-Y412 PolarHBondContact N-OH 2.99Å; L400-Y412 PolarHBondContact O-OH 3.24Å; L400-Y412 VanDerWaalsContact O-OH 3.07Å
401N97.5Very high95.1Very high0 Ų027.7 Ų27.70%017%0.169CC..SBendtrans55.656.1-174.8-158.50.1000112T366 K399 G403 L404 S405 G406 Y408 V410 Q436T366-N401 PolarHBondContact O-N 3.37Å; T366-N401 VanDerWaalsContact OG1-CA 3.31Å; T366-N401 WeakPolarHBondContact OG1-CA 3.34Å; K399-N401 PolarHBondContact NZ-O 3.13Å; N401-G403 PolarHBondContact O-N 2.76Å; N401-L404 PolarHBondContact O-N 2.92Å; N401-S405 PolarHBondContact OD1-N 2.94Å; N401-G406 PolarHBondContact ND2-O 3.29Å; N401-G406 PolarHBondContact OD1-N 2.7Å; N401-G406 PolarHBondContact OD1-O 2.85Å; N401-Y408 WeakPolarHBondContact CA-OH 3.3Å; N401-Y408 HydrophobicContact CB-CD2 4.37Å; N401-Y408 HydrophobicContact CB-CE1 4.47Å; N401-Y408 HydrophobicContact CB-CE2 3.51Å; N401-Y408 WeakPolarHBondContact CB-OH 3.29Å; N401-Y408 PolarHBondContact ND2-O 3.47Å; N401-V410 HydrophobicContact CB-CG2 3.88Å; N401-Q436 PolarHBondContact ND2-NE2 3.34Å; N401-Q436 PolarHBondContact O-OE1 3.41Å
402V95.5Very high95.6Very high4 Ų425.9 Ų25.92%0.02414%0.143CC..G310 helixtrans-57.4127.8-176.2-176.30000110.3Q212 T366 M368 T375 L404 S405 D433Q212-V402 VanDerWaalsContact NE2-CG1 3.29Å; T366-V402 PolarHBondContact OG1-N 3.25Å; M368-V402 HydrophobicContact CB-CG1 4.46Å; M368-V402 HydrophobicContact CB-CG2 3.72Å; M368-V402 HydrophobicContact CG-CG1 4.23Å; M368-V402 HydrophobicContact CG-CG2 3.67Å; M368-V402 HydrophobicContact SD-CB 4.41Å; M368-V402 HydrophobicContact SD-CG1 3.55Å; M368-V402 VanDerWaalsContact SD-CG1 3.55Å; M368-V402 HydrophobicContact SD-CG2 4.08Å; T375-V402 HydrophobicContact CG2-CB 4.31Å; T375-V402 HydrophobicContact CG2-CG2 4.14Å; V402-L404 PolarHBondContact O-N 3.06Å; V402-S405 WeakPolarHBondContact O-CB 3.18Å; V402-S405 PolarHBondContact O-N 2.52Å; V402-S405 PolarHBondContact O-OG 3.12Å; V402-D433 WeakPolarHBondContact CA-OD1 3Å
403G93.1Very high95.7Very high30 Ų3026.9 Ų26.931%0.30915%0.151SC..G310 helixtrans62.920.2-178.300000114.3N401 S405 V432 D433N401-G403 PolarHBondContact O-N 2.76Å; G403-S405 PolarHBondContact O-N 3.29Å; G403-S405 VanDerWaalsContact O-N 3.16Å; G403-V432 VanDerWaalsContact C-CG1 3.45Å; G403-V432 WeakPolarHBondContact O-CG1 3.08Å; G403-D433 PolarHBondContact N-OD1 3Å
404L95.5Very high95.9Very high7 Ų726.1 Ų26.14%0.03716%0.158CC..G310 helixtrans51.835.3-173.1-17060.2000111.7V155 M159 N401 V402 G406 V432 M435 Q436V155-L404 HydrophobicContact CB-CD2 3.94Å; V155-L404 HydrophobicContact CG1-CD1 4.37Å; V155-L404 HydrophobicContact CG1-CD2 3.67Å; V155-L404 HydrophobicContact CG1-CG 3.95Å; V155-L404 HydrophobicContact CG2-CD2 4.49Å; M159-L404 HydrophobicContact CE-CD1 4.19Å; N401-L404 PolarHBondContact O-N 2.92Å; V402-L404 PolarHBondContact O-N 3.06Å; L404-G406 PolarHBondContact O-N 3.1Å; L404-V432 HydrophobicContact CB-CG1 3.67Å; L404-M435 HydrophobicContact CD2-CE 4.01Å; L404-Q436 HydrophobicContact CD1-CG 4.06Å
405S93.6Very high96.2Very high4 Ų425.1 Ų25.13%0.02816%0.155CC..  trans-63.2-26.6-175.765.90000113M198 T366 N401 V402 G403M198-S405 WeakPolarHBondContact CA-O 2.66Å; M198-S405 VanDerWaalsContact CB-O 3.29Å; M198-S405 WeakPolarHBondContact CB-O 2.94Å; T366-S405 WeakPolarHBondContact CG2-OG 3.2Å; T366-S405 PolarHBondContact OG1-OG 3.05Å; T366-S405 VanDerWaalsContact OG1-OG 3.06Å; N401-S405 PolarHBondContact OD1-N 2.94Å; V402-S405 WeakPolarHBondContact O-CB 3.18Å; V402-S405 PolarHBondContact O-N 2.52Å; V402-S405 PolarHBondContact O-OG 3.12Å; G403-S405 PolarHBondContact O-N 3.29Å; G403-S405 VanDerWaalsContact O-N 3.16Å
406G95.6Very high96.4Very high2 Ų220.8 Ų20.82%0.02112%0.124CC..SBendtrans-108.7149177.400000113.7N401 L404 Y408N401-G406 PolarHBondContact ND2-O 3.29Å; N401-G406 PolarHBondContact OD1-N 2.7Å; N401-G406 PolarHBondContact OD1-O 2.85Å; L404-G406 PolarHBondContact O-N 3.1Å; G406-Y408 PolarHBondContact O-N 2.67Å
407F98Very high96.6Very high1 Ų119.9 Ų19.90%0.00412%0.12CC..SBendtrans-81.161.9-179.8-163.8-104000112.2V155 A158 M159 K191 A194 W318 Y324V155-F407 HydrophobicContact CG1-CD2 3.98Å; V155-F407 HydrophobicContact CG1-CE2 4.16Å; A158-F407 HydrophobicContact CB-CE2 3.7Å; A158-F407 HydrophobicContact CB-CZ 3.74Å; M159-F407 HydrophobicContact CB-CZ 4.5Å; M159-F407 HydrophobicContact CE-CD2 4.13Å; M159-F407 HydrophobicContact CE-CE2 4.42Å; M159-F407 HydrophobicContact CE-CG 4.43Å; M159-F407 HydrophobicContact CG-CD2 4.35Å; M159-F407 HydrophobicContact CG-CE1 4.38Å; M159-F407 HydrophobicContact CG-CE2 3.73Å; M159-F407 HydrophobicContact CG-CZ 3.74Å; K191-F407 HydrophobicContact CB-CE2 4.49Å; K191-F407 HydrophobicContact CB-CZ 4.16Å; K191-F407 HydrophobicContact CD-CD1 4.44Å; K191-F407 HydrophobicContact CD-CE1 3.8Å; K191-F407 HydrophobicContact CD-CZ 4.15Å; K191-F407 HydrophobicContact CG-CD1 4.13Å; K191-F407 HydrophobicContact CG-CE1 3.66Å; K191-F407 HydrophobicContact CG-CE2 4.18Å; K191-F407 HydrophobicContact CG-CZ 3.69Å; A194-F407 HydrophobicContact CB-CD2 3.47Å; A194-F407 VanDerWaalsContact CB-CD2 3.47Å; A194-F407 HydrophobicContact CB-CE2 3.99Å; A194-F407 HydrophobicContact CB-CG 4.35Å; W318-F407 HydrophobicContact CE3-CB 4.5Å; W318-F407 WeakPolarHBondContact CH2-O 3.22Å; W318-F407 HydrophobicContact CZ3-CB 4.06Å; W318-F407 HydrophobicContact CZ3-CD1 4.26Å; W318-F407 WeakPolarHBondContact CZ3-O 3.48Å; Y324-F407 WeakPolarHBondContact CB-O 2.94Å; Y324-F407 HydrophobicContact CD1-CD1 4.34Å; Y324-F407 AromaticContact CD1-CE1 3.64Å; Y324-F407 HydrophobicContact CD1-CE1 3.64Å; Y324-F407 HydrophobicContact CD1-CZ 4.3Å; Y324-F407 HydrophobicContact CE1-CE1 4.46Å; Y324-F407 HydrophobicContact CG-CD1 4.16Å; Y324-F407 AromaticContact CG-CE1 3.92Å; Y324-F407 HydrophobicContact CG-CE1 3.92Å
408Y98.2Very high96.6Very high0 Ų026.4 Ų26.40%015%0.149CC..  trans-151.3157.6178.460.7-90.8000112.3P325 I327 V363 I365 N401 G406 V410P325-Y408 WeakPolarHBondContact O-CA 3.23Å; P325-Y408 VanDerWaalsContact O-CB 3.28Å; P325-Y408 WeakPolarHBondContact O-CB 3.38Å; I327-Y408 HydrophobicContact CB-CD2 4.25Å; I327-Y408 HydrophobicContact CG1-CD2 3.43Å; I327-Y408 VanDerWaalsContact CG1-CD2 3.43Å; I327-Y408 HydrophobicContact CG1-CE2 3.9Å; I327-Y408 HydrophobicContact CG1-CG 4.08Å; V363-Y408 HydrophobicContact CG1-CD1 3.39Å; V363-Y408 HydrophobicContact CG1-CD2 4.45Å; V363-Y408 HydrophobicContact CG1-CE1 3.43Å; V363-Y408 VanDerWaalsContact CG1-CE1 3.43Å; V363-Y408 HydrophobicContact CG1-CE2 4.46Å; V363-Y408 HydrophobicContact CG1-CG 3.94Å; I365-Y408 WeakPolarHBondContact CA-OH 3.37Å; N401-Y408 WeakPolarHBondContact CA-OH 3.3Å; N401-Y408 HydrophobicContact CB-CD2 4.37Å; N401-Y408 HydrophobicContact CB-CE1 4.47Å; N401-Y408 HydrophobicContact CB-CE2 3.51Å; N401-Y408 WeakPolarHBondContact CB-OH 3.29Å; N401-Y408 PolarHBondContact ND2-O 3.47Å; G406-Y408 PolarHBondContact O-N 2.67Å; Y408-V410 HydrophobicContact CD2-CG2 4.07Å; Y408-V410 HydrophobicContact CE2-CG2 3.82Å
409R98.3Very high96.6Very high1 Ų127.7 Ų27.70%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-97.8149.5177.1-63.9-172.2175.5-81.94.2111.3M159 Y324 P325 V326 I327 D439 D440 F444M159-R409 HydrophobicContact SD-CG 3.93Å; Y324-R409 HydrophobicContact CE2-CG 3.75Å; Y324-R409 PolarHBondContact OH-NE 3.43Å; Y324-R409 VanDerWaalsContact OH-NE 3.15Å; P325-R409 PolarHBondContact O-N 2.83Å; V326-R409 CarbonylContact C-O 3.13Å; V326-R409 WeakPolarHBondContact CA-O 3.3Å; I327-R409 PolarHBondContact N-O 3.12Å; R409-D439 IonicContact CZ-OD2 2.8Å; R409-D439 IonicContact NH1-OD2 3.57Å; R409-D439 PolarHBondContact NH1-OD2 3.03Å; R409-D439 IonicContact NH2-OD2 3.14Å; R409-D439 PolarHBondContact NH2-OD2 3.47Å; R409-D439 VanDerWaalsContact NH2-OD2 3.08Å; R409-D440 WeakPolarHBondContact CB-OD1 3.13Å; R409-D440 WeakPolarHBondContact CG-OD1 3.36Å; R409-D440 IonicContact CZ-OD1 3.54Å; R409-D440 IonicContact NH1-OD1 2.69Å; R409-D440 PolarHBondContact NH1-OD1 3.08Å; R409-F444 HydrophobicContact CB-CE1 4.39Å; R409-F444 HydrophobicContact CB-CZ 4.09Å
410V98.6Very high96.6Very high2 Ų227.7 Ų27.71%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-114.9122.4179.5-171.50000111.1I327 A329 L400 N401 Y408 Y412 D440 F444I327-V410 CarbonylContact O-C 3.55Å; I327-V410 WeakPolarHBondContact O-CA 3.37Å; A329-V410 HydrophobicContact CB-CG1 4.48Å; L400-V410 HydrophobicContact CB-CG1 4.14Å; L400-V410 HydrophobicContact CB-CG2 4.15Å; L400-V410 HydrophobicContact CD1-CG1 4.02Å; N401-V410 HydrophobicContact CB-CG2 3.88Å; Y408-V410 HydrophobicContact CD2-CG2 4.07Å; Y408-V410 HydrophobicContact CE2-CG2 3.82Å; V410-Y412 HydrophobicContact CB-CD2 4.41Å; V410-Y412 HydrophobicContact CB-CE2 3.74Å; V410-Y412 HydrophobicContact CG1-CD1 4.13Å; V410-Y412 HydrophobicContact CG1-CD2 3.97Å; V410-Y412 HydrophobicContact CG1-CE1 3.72Å; V410-Y412 HydrophobicContact CG1-CE2 3.52Å; V410-Y412 HydrophobicContact CG1-CG 4.26Å; V410-D440 PolarHBondContact N-OD2 3.26Å; V410-F444 WeakPolarHBondContact O-CE2 3.13Å
411R97.8Very high96.6Very high72 Ų7229.4 Ų29.427%0.27217%0.166SC..EExtended strand (participates in β ladder)trans-101.798.5172.1-174172-178.8153.24.3110.1V326 I327 R328 A329 F444 Q449V326-R411 HydrophobicContact CG2-CB 3.93Å; I327-R411 PolarHBondContact O-N 3.02Å; R328-R411 WeakPolarHBondContact CA-O 3.27Å; R328-R411 HydrophobicContact CG-CB 4.07Å; A329-R411 PolarHBondContact N-O 2.69Å; R411-F444 HydrophobicContact CB-CE2 3.79Å; R411-F444 HydrophobicContact CB-CZ 3.77Å; R411-F444 HydrophobicContact CG-CD2 4.47Å; R411-F444 HydrophobicContact CG-CE2 4.13Å; R411-F444 HydrophobicContact CG-CZ 4.46Å; R411-Q449 PolarHBondContact NH2-O 2.95Å
412Y97.7Very high96.5Very high27 Ų2732.2 Ų32.211%0.10618%0.184CC..EExtended strand (participates in β ladder)trans-73.6142.3174.8-61.6-81.4000112.1K399 L400 V410 L416 M417 M420K399-Y412 WeakPolarHBondContact CD-OH 3.18Å; L400-Y412 HydrophobicContact CB-CE1 4.4Å; L400-Y412 HydrophobicContact CD1-CE1 4.47Å; L400-Y412 HydrophobicContact CG-CE1 4.14Å; L400-Y412 PolarHBondContact N-OH 2.99Å; L400-Y412 PolarHBondContact O-OH 3.24Å; L400-Y412 VanDerWaalsContact O-OH 3.07Å; V410-Y412 HydrophobicContact CB-CD2 4.41Å; V410-Y412 HydrophobicContact CB-CE2 3.74Å; V410-Y412 HydrophobicContact CG1-CD1 4.13Å; V410-Y412 HydrophobicContact CG1-CD2 3.97Å; V410-Y412 HydrophobicContact CG1-CE1 3.72Å; V410-Y412 HydrophobicContact CG1-CE2 3.52Å; V410-Y412 HydrophobicContact CG1-CG 4.26Å; Y412-L416 HydrophobicContact CD1-CB 3.89Å; Y412-L416 HydrophobicContact CD1-CD1 4.3Å; Y412-L416 HydrophobicContact CG-CB 4.49Å; Y412-M417 HydrophobicContact CD2-CE 3.91Å; Y412-M417 HydrophobicContact CG-CE 4.31Å; Y412-M420 HydrophobicContact CD1-CE 3.69Å; Y412-M420 HydrophobicContact CD2-CE 3.84Å; Y412-M420 HydrophobicContact CE1-CE 3.86Å; Y412-M420 HydrophobicContact CE1-SD 4.43Å; Y412-M420 HydrophobicContact CE2-CE 4.02Å; Y412-M420 HydrophobicContact CG-CE 3.68Å
413S96.4Very high96.5Very high29 Ų2933.8 Ų33.820%0.20319%0.191CC..  trans-68.816216272.20000111.2A329 A415 L416 M417A329-S413 PolarHBondContact O-N 2.93Å; A329-S413 VanDerWaalsContact O-N 3.13Å; S413-A415 PolarHBondContact O-N 3.03Å; S413-L416 PolarHBondContact O-N 3.22Å; S413-L416 VanDerWaalsContact O-N 3.08Å; S413-L416 PolarHBondContact OG-N 3.31Å; S413-M417 WeakPolarHBondContact O-CB 3.3Å; S413-M417 PolarHBondContact O-N 2.97Å
414T94.8Very high96.8Very high122 Ų12232.4 Ų32.475%0.74818%0.177SC*.Hα-helixtrans-55.8-35.4174.4-50.10000112.3M417 K418T414-M417 PolarHBondContact O-N 2.99Å; T414-K418 WeakPolarHBondContact O-CB 3.42Å; T414-K418 PolarHBondContact O-N 3.15Å
415A95.2Very high96.9Very high59 Ų5934.2 Ų34.249%0.48819%0.19SC..Hα-helixtrans-65.7-36.3178.600000112.6S413 P419S413-A415 PolarHBondContact O-N 3.03Å; A415-P419 WeakPolarHBondContact O-CD 3.3Å
416L96.8Very high97Very high4 Ų440.7 Ų40.72%0.02122%0.218CC..Hα-helixtrans-80.6-35.7175.3-77165.4000112.5A329 L331 L340 L398 Y412 S413 P419 M420A329-L416 HydrophobicContact CB-CD1 3.78Å; A329-L416 WeakPolarHBondContact O-CD1 3.25Å; L331-L416 HydrophobicContact CD1-CD2 3.73Å; L331-L416 HydrophobicContact CD1-CG 4.1Å; L331-L416 HydrophobicContact CD2-CD2 4.03Å; L331-L416 HydrophobicContact CG-CD1 4.37Å; L331-L416 HydrophobicContact CG-CD2 3.68Å; L331-L416 HydrophobicContact CG-CG 3.88Å; L340-L416 HydrophobicContact CD1-CD1 4.22Å; L398-L416 HydrophobicContact CB-CD2 4.02Å; L398-L416 HydrophobicContact CD2-CD2 4.07Å; Y412-L416 HydrophobicContact CD1-CB 3.89Å; Y412-L416 HydrophobicContact CD1-CD1 4.3Å; Y412-L416 HydrophobicContact CG-CB 4.49Å; S413-L416 PolarHBondContact O-N 3.22Å; S413-L416 VanDerWaalsContact O-N 3.08Å; S413-L416 PolarHBondContact OG-N 3.31Å; L416-P419 WeakPolarHBondContact O-CD 3.5Å; L416-M420 WeakPolarHBondContact O-CE 3.4Å
417M97Very high97Very high37 Ų3744.2 Ų44.218%0.18224%0.235CC..Hα-helixtrans-68.7-43.5-178.6-174.858.475.500112.1Y412 S413 T414 M420 L421 V437Y412-M417 HydrophobicContact CD2-CE 3.91Å; Y412-M417 HydrophobicContact CG-CE 4.31Å; S413-M417 WeakPolarHBondContact O-CB 3.3Å; S413-M417 PolarHBondContact O-N 2.97Å; T414-M417 PolarHBondContact O-N 2.99Å; M417-M420 HydrophobicContact CE-CE 4.3Å; M417-M420 WeakPolarHBondContact O-CB 3.28Å; M417-M420 PolarHBondContact O-N 3.03Å; M417-M420 HydrophobicContact SD-CE 3.87Å; M417-L421 HydrophobicContact CG-CD2 4.18Å; M417-L421 HydrophobicContact CG-CG 4.46Å; M417-L421 PolarHBondContact O-N 3.13Å; M417-L421 HydrophobicContact SD-CD2 4.16Å; M417-V437 HydrophobicContact CE-CG1 3.75Å; M417-V437 HydrophobicContact SD-CG1 3.87Å
418K96.8Very high96.8Very high154 Ų15446.1 Ų46.167%0.6725%0.248SC*.Hα-helixtrans-58.6-43.6-171-174.9-179.2-178.1-177.70113.8T414 M420 L421 P422T414-K418 WeakPolarHBondContact O-CB 3.42Å; T414-K418 PolarHBondContact O-N 3.15Å; K418-M420 VanDerWaalsContact C-N 3.27Å; K418-M420 PolarHBondContact O-N 3.2Å; K418-L421 PolarHBondContact O-N 2.68Å; K418-P422 WeakPolarHBondContact O-CD 3.33Å
419P96.7Very high96.5Very high26 Ų2646.2 Ų46.217%0.16925%0.249CC..Hα-helixtrans-66.9-22.1175.1-23.735.9000114.7W397 A415 L416 P422W397-P419 HydrophobicContact CB-CB 3.94Å; A415-P419 WeakPolarHBondContact O-CD 3.3Å; L416-P419 WeakPolarHBondContact O-CD 3.5Å; P419-P422 WeakPolarHBondContact O-CD 3.5Å
420M97.2Very high96.2Very high0 Ų046.8 Ų46.80%025%0.252CS..Hα-helixtrans-77.6-30.4177.6-69.9-172.5-68.800112.9W397 K399 Y412 L416 M417 K418 E423 I424W397-M420 HydrophobicContact CB-CG 3.81Å; K399-M420 HydrophobicContact CD-SD 4.42Å; Y412-M420 HydrophobicContact CD1-CE 3.69Å; Y412-M420 HydrophobicContact CD2-CE 3.84Å; Y412-M420 HydrophobicContact CE1-CE 3.86Å; Y412-M420 HydrophobicContact CE1-SD 4.43Å; Y412-M420 HydrophobicContact CE2-CE 4.02Å; Y412-M420 HydrophobicContact CG-CE 3.68Å; L416-M420 WeakPolarHBondContact O-CE 3.4Å; M417-M420 HydrophobicContact CE-CE 4.3Å; M417-M420 WeakPolarHBondContact O-CB 3.28Å; M417-M420 PolarHBondContact O-N 3.03Å; M417-M420 HydrophobicContact SD-CE 3.87Å; K418-M420 VanDerWaalsContact C-N 3.27Å; K418-M420 PolarHBondContact O-N 3.2Å; M420-E423 PolarHBondContact O-N 3.13Å; M420-I424 HydrophobicContact CB-CD1 4.47Å; M420-I424 WeakPolarHBondContact O-CG1 3.45Å; M420-I424 PolarHBondContact O-N 3.28Å
421L97.7Very high96.1Very high36 Ų3647.4 Ų47.419%0.18826%0.256CS..Hα-helixtrans-56.8-42.2-174.1-59175.3000114.4M417 K418 E423 I424 S425 L458M417-L421 HydrophobicContact CG-CD2 4.18Å; M417-L421 HydrophobicContact CG-CG 4.46Å; M417-L421 PolarHBondContact O-N 3.13Å; M417-L421 HydrophobicContact SD-CD2 4.16Å; K418-L421 PolarHBondContact O-N 2.68Å; L421-E423 VanDerWaalsContact C-N 3.31Å; L421-E423 PolarHBondContact O-N 3.07Å; L421-I424 PolarHBondContact O-N 3.33Å; L421-S425 PolarHBondContact O-N 3.27Å; L421-S425 PolarHBondContact O-OG 2.74Å; L421-L458 HydrophobicContact CD2-CD1 3.54Å
422P96.9Very high96Very high59 Ų5944.3 Ų44.338%0.38325%0.245SC..Hα-helixtrans-64.1-35175-22.735.1000113.1K418 P419 S425 K426K418-P422 WeakPolarHBondContact O-CD 3.33Å; P419-P422 WeakPolarHBondContact O-CD 3.5Å; P422-S425 PolarHBondContact O-N 3.19Å; P422-K426 WeakPolarHBondContact O-CB 3.28Å; P422-K426 VanDerWaalsContact O-CG 3.22Å; P422-K426 WeakPolarHBondContact O-CG 3.45Å; P422-K426 PolarHBondContact O-N 3.3Å
423E95.7Very high96Very high37 Ų3743 Ų4317%0.17324%0.241CC..Hα-helixtrans-75.7-33-178.9-60.3-55.3112.200111.7W397 M420 L421 K426 M427 S428 L429W397-E423 HydrophobicContact CG-CG 4.27Å; M420-E423 PolarHBondContact O-N 3.13Å; L421-E423 VanDerWaalsContact C-N 3.31Å; L421-E423 PolarHBondContact O-N 3.07Å; E423-K426 IonicContact OE1-NZ 3.8Å; E423-K426 PolarHBondContact OE1-NZ 3.41Å; E423-K426 VanDerWaalsContact OE1-NZ 3.12Å; E423-M427 PolarHBondContact O-N 3.17Å; E423-M427 VanDerWaalsContact O-N 3.08Å; E423-S428 VanDerWaalsContact CA-OG 3.26Å; E423-S428 WeakPolarHBondContact CA-OG 3.43Å; E423-S428 WeakPolarHBondContact CB-OG 3.46Å; E423-S428 VanDerWaalsContact CD-OG 3.27Å; E423-S428 PolarHBondContact O-N 3.16Å; E423-S428 PolarHBondContact O-OG 3.21Å; E423-S428 VanDerWaalsContact O-OG 3.13Å; E423-S428 WeakPolarHBondContact OE2-CB 3.33Å; E423-S428 PolarHBondContact OE2-OG 2.94Å; E423-L429 HydrophobicContact CB-CD1 4.39Å; E423-L429 HydrophobicContact CB-CG 4.05Å
424I97.5Very high96Very high2 Ų242.2 Ų42.21%0.0123%0.233CC..Hα-helixtrans-61-49.5165.7-67.7168.8000110.1M420 L421 K426 M427 L429 R434 V437 H461 Y462M420-I424 HydrophobicContact CB-CD1 4.47Å; M420-I424 WeakPolarHBondContact O-CG1 3.45Å; M420-I424 PolarHBondContact O-N 3.28Å; L421-I424 PolarHBondContact O-N 3.33Å; I424-K426 VanDerWaalsContact C-N 3.26Å; I424-K426 PolarHBondContact O-N 3.11Å; I424-M427 PolarHBondContact O-N 3.1Å; I424-L429 HydrophobicContact CG1-CD1 4.01Å; I424-R434 HydrophobicContact CG1-CG 4.49Å; I424-V437 HydrophobicContact CD1-CB 4.39Å; I424-V437 HydrophobicContact CD1-CG1 3.92Å; I424-H461 HydrophobicContact CG2-CB 4.22Å; I424-Y462 HydrophobicContact CG2-CD1 4.13Å; I424-Y462 HydrophobicContact CG2-CD2 3.84Å; I424-Y462 HydrophobicContact CG2-CE1 3.77Å; I424-Y462 HydrophobicContact CG2-CE2 3.41Å; I424-Y462 VanDerWaalsContact CG2-CE2 3.41Å; I424-Y462 HydrophobicContact CG2-CG 4.18Å
425S97.4Very high96.2Very high45 Ų4536.4 Ų36.432%0.31520%0.197SC..Hα-helixtrans-63.2-32.1-177.5-51.60000113.1L421 P422 H461L421-S425 PolarHBondContact O-N 3.27Å; L421-S425 PolarHBondContact O-OG 2.74Å; P422-S425 PolarHBondContact O-N 3.19Å; S425-H461 VanDerWaalsContact CA-O 3.31Å; S425-H461 WeakPolarHBondContact CA-O 3.42Å; S425-H461 WeakPolarHBondContact OG-CB 3.34Å; S425-H461 PolarHBondContact OG-ND1 3.2Å
426K96.3Very high96.3Very high140 Ų14033.8 Ų33.861%0.60918%0.175SC*.THydrogen-bonded Turntrans-87.5-3.2175.6-66.1169.2-166.6164.80113.4P422 E423 I424 S428P422-K426 WeakPolarHBondContact O-CB 3.28Å; P422-K426 VanDerWaalsContact O-CG 3.22Å; P422-K426 WeakPolarHBondContact O-CG 3.45Å; P422-K426 PolarHBondContact O-N 3.3Å; E423-K426 IonicContact OE1-NZ 3.8Å; E423-K426 PolarHBondContact OE1-NZ 3.41Å; E423-K426 VanDerWaalsContact OE1-NZ 3.12Å; I424-K426 VanDerWaalsContact C-N 3.26Å; I424-K426 PolarHBondContact O-N 3.11Å; K426-S428 PolarHBondContact O-N 3.42Å
427M95.5Very high96.4Very high76 Ų7633.7 Ų33.737%0.37417%0.174SC..THydrogen-bonded Turntrans56.332.1-174.2-58.2175.2-8000114.1E423 I424 A464E423-M427 PolarHBondContact O-N 3.17Å; E423-M427 VanDerWaalsContact O-N 3.08Å; I424-M427 PolarHBondContact O-N 3.1Å; M427-A464 HydrophobicContact CE-CB 4.4Å; M427-A464 WeakPolarHBondContact CE-O 3.46Å; M427-A464 VanDerWaalsContact SD-O 3.33Å
428S93.3Very high96.4Very high40 Ų4031.9 Ų31.928%0.2817%0.166SC..  trans-88-20.3-17859.10000114.3E423 K426E423-S428 VanDerWaalsContact CA-OG 3.26Å; E423-S428 WeakPolarHBondContact CA-OG 3.43Å; E423-S428 WeakPolarHBondContact CB-OG 3.46Å; E423-S428 VanDerWaalsContact CD-OG 3.27Å; E423-S428 PolarHBondContact O-N 3.16Å; E423-S428 PolarHBondContact O-OG 3.21Å; E423-S428 VanDerWaalsContact O-OG 3.13Å; E423-S428 WeakPolarHBondContact OE2-CB 3.33Å; E423-S428 PolarHBondContact OE2-OG 2.94Å; K426-S428 PolarHBondContact O-N 3.42Å
429L93.1Very high96.4Very high3 Ų325 Ų252%0.01614%0.136CC..SBendtrans-75.4148165.5-72.7176.2000109.8W397 E423 I424 R434W397-L429 HydrophobicContact CD2-CD2 4.23Å; W397-L429 HydrophobicContact CE3-CD2 3.92Å; W397-L429 HydrophobicContact CH2-CD2 3.78Å; W397-L429 HydrophobicContact CZ2-CD2 4.03Å; W397-L429 HydrophobicContact CZ3-CD2 3.68Å; E423-L429 HydrophobicContact CB-CD1 4.39Å; E423-L429 HydrophobicContact CB-CG 4.05Å; I424-L429 HydrophobicContact CG1-CD1 4.01Å; L429-R434 HydrophobicContact CB-CG 3.76Å; L429-R434 PolarHBondContact O-NH1 3.01Å
430P92.6Very high96.5Very high12 Ų1224 Ų248%0.07813%0.129CC..  trans-57.7151.4175.9-23.533.9000113.1M368 V432 D433 R434M368-P430 HydrophobicContact CE-CG 4.41Å; P430-V432 PolarHBondContact O-N 2.9Å; P430-D433 WeakPolarHBondContact CB-OD2 3.45Å; P430-D433 WeakPolarHBondContact CD-OD2 3.22Å; P430-D433 VanDerWaalsContact CG-OD2 3.31Å; P430-D433 WeakPolarHBondContact CG-OD2 3.39Å; P430-D433 WeakPolarHBondContact O-CB 3.41Å; P430-D433 PolarHBondContact O-N 3.2Å; P430-D433 VanDerWaalsContact O-N 3.09Å; P430-R434 PolarHBondContact O-N 3.41Å
431P95.2Very high96.5Very high15 Ų1525.4 Ų25.410%0.09714%0.137CC..Hα-helixtrans-54.9-47.5-175.7-28.235.5000114.9D433 R434 M435 D467 V470P431-D433 VanDerWaalsContact C-N 3.26Å; P431-D433 PolarHBondContact O-N 2.96Å; P431-R434 PolarHBondContact O-N 2.98Å; P431-R434 VanDerWaalsContact O-N 3.13Å; P431-M435 WeakPolarHBondContact O-CB 3.22Å; P431-M435 PolarHBondContact O-N 3.08Å; P431-D467 HydrophobicContact CB-CB 4.27Å; P431-D467 VanDerWaalsContact CB-CG 3.41Å; P431-D467 WeakPolarHBondContact CB-OD1 3.44Å; P431-D467 WeakPolarHBondContact CB-OD2 3.23Å; P431-D467 VanDerWaalsContact CG-OD2 3.31Å; P431-D467 WeakPolarHBondContact CG-OD2 3.26Å; P431-V470 HydrophobicContact CB-CG2 4.19Å; P431-V470 VanDerWaalsContact O-CG2 3.29Å; P431-V470 WeakPolarHBondContact O-CG2 3.14Å
432V96.1Very high96.5Very high7 Ų723.9 Ų23.94%0.04213%0.129CC..Hα-helixtrans-59.7-38178.5176.70000111.6T148 S151 G403 L404 P430 M435 Q436 T469T148-V432 HydrophobicContact CG2-CG2 4.12Å; S151-V432 VanDerWaalsContact OG-CG1 3.24Å; S151-V432 WeakPolarHBondContact OG-CG1 3.45Å; G403-V432 VanDerWaalsContact C-CG1 3.45Å; G403-V432 WeakPolarHBondContact O-CG1 3.08Å; L404-V432 HydrophobicContact CB-CG1 3.67Å; P430-V432 PolarHBondContact O-N 2.9Å; V432-M435 HydrophobicContact CG1-CE 4.29Å; V432-M435 PolarHBondContact O-N 2.88Å; V432-Q436 WeakPolarHBondContact O-CB 3.39Å; V432-Q436 PolarHBondContact O-N 3.12Å; V432-T469 HydrophobicContact CG2-CG2 4.4Å
433D96.9Very high96.5Very high1 Ų121.1 Ų21.11%0.00511%0.111CC..Hα-helixtrans-68.5-39.3177.2-68.9-62.1000112.3K399 V402 G403 P430 P431 V437K399-D433 HydrophobicContact CD-CB 4.28Å; K399-D433 WeakPolarHBondContact CE-O 3.36Å; K399-D433 VanDerWaalsContact CE-OD1 3.28Å; K399-D433 WeakPolarHBondContact CE-OD1 3.42Å; K399-D433 HydrophobicContact CG-CB 4.18Å; K399-D433 IonicContact NZ-OD1 3.87Å; K399-D433 PolarHBondContact NZ-OD1 3.4Å; V402-D433 WeakPolarHBondContact CA-OD1 3Å; G403-D433 PolarHBondContact N-OD1 3Å; P430-D433 WeakPolarHBondContact CB-OD2 3.45Å; P430-D433 WeakPolarHBondContact CD-OD2 3.22Å; P430-D433 VanDerWaalsContact CG-OD2 3.31Å; P430-D433 WeakPolarHBondContact CG-OD2 3.39Å; P430-D433 WeakPolarHBondContact O-CB 3.41Å; P430-D433 PolarHBondContact O-N 3.2Å; P430-D433 VanDerWaalsContact O-N 3.09Å; P431-D433 VanDerWaalsContact C-N 3.26Å; P431-D433 PolarHBondContact O-N 2.96Å; D433-V437 WeakPolarHBondContact O-CG2 3.39Å; D433-V437 PolarHBondContact O-N 3.12Å
434R97.8Very high96.6Very high12 Ų1219.7 Ų19.75%0.04510%0.104CC..Hα-helixtrans-66-43.3173.2-61.3-165.6-51.1-89.54.3110.8I424 L429 P430 P431 V437 Y462 E465 V470I424-R434 HydrophobicContact CG1-CG 4.49Å; L429-R434 HydrophobicContact CB-CG 3.76Å; L429-R434 PolarHBondContact O-NH1 3.01Å; P430-R434 PolarHBondContact O-N 3.41Å; P431-R434 PolarHBondContact O-N 2.98Å; P431-R434 VanDerWaalsContact O-N 3.13Å; R434-V437 PolarHBondContact O-N 3.16Å; R434-Y462 HydrophobicContact CB-CE1 4.03Å; R434-Y462 PolarHBondContact O-OH 2.93Å; R434-E465 IonicContact CZ-OE1 2.67Å; R434-E465 IonicContact CZ-OE2 2.59Å; R434-E465 VanDerWaalsContact CZ-OE2 3.29Å; R434-E465 IonicContact NE-OE2 3.6Å; R434-E465 PolarHBondContact NE-OE2 3.17Å; R434-E465 VanDerWaalsContact NH2-CD 3.28Å; R434-E465 IonicContact NH2-OE1 3.19Å; R434-E465 PolarHBondContact NH2-OE1 3.07Å; R434-E465 IonicContact NH2-OE2 2.74Å; R434-E465 PolarHBondContact NH2-OE2 3.43Å; R434-V470 HydrophobicContact CB-CG2 4.15Å
435M97.7Very high96.5Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-58.9-50.9177179.9-77.2-65.100110.6V152 L404 P431 V432 V437 C438 D439 T469 V470V152-M435 HydrophobicContact CG2-CE 4.18Å; V152-M435 HydrophobicContact CG2-CG 4Å; V152-M435 HydrophobicContact CG2-SD 4.1Å; L404-M435 HydrophobicContact CD2-CE 4.01Å; P431-M435 WeakPolarHBondContact O-CB 3.22Å; P431-M435 PolarHBondContact O-N 3.08Å; V432-M435 HydrophobicContact CG1-CE 4.29Å; V432-M435 PolarHBondContact O-N 2.88Å; M435-V437 VanDerWaalsContact C-N 3.3Å; M435-V437 PolarHBondContact O-N 3.47Å; M435-C438 PolarHBondContact O-N 2.97Å; M435-C438 VanDerWaalsContact O-N 3.11Å; M435-C438 PolarHBondContact O-SG 3.46Å; M435-D439 PolarHBondContact O-N 3.45Å; M435-D439 HydrophobicContact SD-CB 3.99Å; M435-T469 HydrophobicContact CB-CG2 4.34Å; M435-T469 HydrophobicContact CE-CG2 4.45Å; M435-T469 HydrophobicContact CG-CG2 4.23Å; M435-T469 WeakPolarHBondContact CG-O 3.29Å; M435-V470 HydrophobicContact CB-CB 4.45Å; M435-V470 HydrophobicContact CB-CG2 4.07Å
436Q98.2Very high96.2Very high3 Ų320.1 Ų20.11%0.01410%0.099CC..Hα-helixtrans-57.2-42.2-177.9-178.6-178.225.900112.5N401 L404 V432 C438 D439 D440N401-Q436 PolarHBondContact ND2-NE2 3.34Å; N401-Q436 PolarHBondContact O-OE1 3.41Å; L404-Q436 HydrophobicContact CD1-CG 4.06Å; V432-Q436 WeakPolarHBondContact O-CB 3.39Å; V432-Q436 PolarHBondContact O-N 3.12Å; Q436-C438 VanDerWaalsContact C-N 3.28Å; Q436-C438 PolarHBondContact O-N 3.31Å; Q436-D439 PolarHBondContact O-N 2.8Å; Q436-D440 VanDerWaalsContact O-CB 3.29Å; Q436-D440 WeakPolarHBondContact O-CB 3.16Å; Q436-D440 PolarHBondContact O-N 3.41Å
437V98.1Very high95.9Very high2 Ų214.4 Ų14.41%0.0128%0.078CC..Hα-helixtrans-58.8-41.1-179.6170.40000111.5K399 M417 I424 D433 R434 M435 L441 L458K399-V437 HydrophobicContact CD-CG2 4.43Å; M417-V437 HydrophobicContact CE-CG1 3.75Å; M417-V437 HydrophobicContact SD-CG1 3.87Å; I424-V437 HydrophobicContact CD1-CB 4.39Å; I424-V437 HydrophobicContact CD1-CG1 3.92Å; D433-V437 WeakPolarHBondContact O-CG2 3.39Å; D433-V437 PolarHBondContact O-N 3.12Å; R434-V437 PolarHBondContact O-N 3.16Å; M435-V437 VanDerWaalsContact C-N 3.3Å; M435-V437 PolarHBondContact O-N 3.47Å; V437-L441 PolarHBondContact O-N 3.06Å; V437-L458 HydrophobicContact CG1-CD2 4.21Å
438C97.2Very high95.7Very high0 Ų014 Ų140%09%0.093CC..Hα-helixtrans-79.1-36.3179.479.40000112.7M435 Q436 L441 F442 Y455 L458 L459 Y462M435-C438 PolarHBondContact O-N 2.97Å; M435-C438 VanDerWaalsContact O-N 3.11Å; M435-C438 PolarHBondContact O-SG 3.46Å; Q436-C438 VanDerWaalsContact C-N 3.28Å; Q436-C438 PolarHBondContact O-N 3.31Å; C438-L441 PolarHBondContact O-N 3.5Å; C438-F442 PolarHBondContact O-N 2.79Å; C438-Y455 HydrophobicContact CB-CE2 4.33Å; C438-Y455 WeakPolarHBondContact O-CE2 3.5Å; C438-L458 HydrophobicContact CB-CD2 3.94Å; C438-L459 HydrophobicContact CB-CD2 4.49Å; C438-Y462 HydrophobicContact CB-CE1 4.41Å; C438-Y462 HydrophobicContact CB-CE2 4.14Å
439D98.1Very high95.7Very high9 Ų915 Ų155%0.0489%0.093CC..Hα-helixtrans-65.4-44.4176.5-168.972.2000111.9C156 R409 M435 Q436 L441 F442 A443 N477C156-D439 VanDerWaalsContact SG-CG 3.57Å; C156-D439 PolarHBondContact SG-OD2 3.43Å; R409-D439 IonicContact CZ-OD2 2.8Å; R409-D439 IonicContact NH1-OD2 3.57Å; R409-D439 PolarHBondContact NH1-OD2 3.03Å; R409-D439 IonicContact NH2-OD2 3.14Å; R409-D439 PolarHBondContact NH2-OD2 3.47Å; R409-D439 VanDerWaalsContact NH2-OD2 3.08Å; M435-D439 PolarHBondContact O-N 3.45Å; M435-D439 HydrophobicContact SD-CB 3.99Å; Q436-D439 PolarHBondContact O-N 2.8Å; D439-L441 PolarHBondContact O-N 3.42Å; D439-F442 WeakPolarHBondContact O-CB 3.36Å; D439-F442 PolarHBondContact O-N 3.1Å; D439-A443 PolarHBondContact O-N 2.68Å; D439-N477 PolarHBondContact OD1-ND2 3.07Å
440D98.3Very high95.7Very high4 Ų416.9 Ų16.92%0.02111%0.105CC..Hα-helixtrans-60.8-44.9177-80.9-9.7000111.5R409 V410 Q436 F442 A443 F444R409-D440 WeakPolarHBondContact CB-OD1 3.13Å; R409-D440 WeakPolarHBondContact CG-OD1 3.36Å; R409-D440 IonicContact CZ-OD1 3.54Å; R409-D440 IonicContact NH1-OD1 2.69Å; R409-D440 PolarHBondContact NH1-OD1 3.08Å; V410-D440 PolarHBondContact N-OD2 3.26Å; Q436-D440 VanDerWaalsContact O-CB 3.29Å; Q436-D440 WeakPolarHBondContact O-CB 3.16Å; Q436-D440 PolarHBondContact O-N 3.41Å; D440-F442 VanDerWaalsContact C-N 3.3Å; D440-F442 PolarHBondContact O-N 3.38Å; D440-A443 PolarHBondContact O-N 3.44Å; D440-F444 HydrophobicContact CB-CE2 3.94Å; D440-F444 HydrophobicContact CB-CZ 4.32Å; D440-F444 WeakPolarHBondContact O-CD2 3.49Å; D440-F444 WeakPolarHBondContact O-CE2 3.25Å; D440-F444 VanDerWaalsContact O-CG 3.22Å; D440-F444 WeakPolarHBondContact O-CG 3.38Å; D440-F444 PolarHBondContact O-N 2.93Å
441L97.8Very high95.8Very high31 Ų3119.5 Ų19.516%0.16212%0.123CC..Hα-helixtrans-63.8-38.3177.7-169.765.5000111.6V437 C438 D439 F444 A445 V450 L458V437-L441 PolarHBondContact O-N 3.06Å; C438-L441 PolarHBondContact O-N 3.5Å; D439-L441 PolarHBondContact O-N 3.42Å; L441-F444 PolarHBondContact O-N 3.29Å; L441-A445 PolarHBondContact O-N 3.08Å; L441-V450 HydrophobicContact CD1-CG2 3.97Å; L441-L458 HydrophobicContact CB-CD2 4.08Å; L441-L458 HydrophobicContact CD2-CB 3.73Å; L441-L458 HydrophobicContact CD2-CD2 3.51Å; L441-L458 HydrophobicContact CD2-CG 4.2Å; L441-L458 HydrophobicContact CG-CD2 4.44Å
442F97.9Very high95.8Very high4 Ų422.2 Ų22.22%0.01814%0.135CC..Hα-helixtrans-64.5-44.3174.4-171.9-102.1000111.9C438 D439 D440 F444 A445 R446 Y455 N477 V480 L481C438-F442 PolarHBondContact O-N 2.79Å; D439-F442 WeakPolarHBondContact O-CB 3.36Å; D439-F442 PolarHBondContact O-N 3.1Å; D440-F442 VanDerWaalsContact C-N 3.3Å; D440-F442 PolarHBondContact O-N 3.38Å; F442-F444 VanDerWaalsContact C-N 3.31Å; F442-F444 PolarHBondContact O-N 3.24Å; F442-A445 WeakPolarHBondContact O-CB 3.49Å; F442-A445 PolarHBondContact O-N 3Å; F442-R446 WeakPolarHBondContact O-CB 3.15Å; F442-R446 PolarHBondContact O-N 3.27Å; F442-Y455 HydrophobicContact CB-CD2 3.81Å; F442-Y455 HydrophobicContact CB-CE2 3.73Å; F442-Y455 HydrophobicContact CB-CG 4.41Å; F442-Y455 AromaticContact CD2-CD1 3.73Å; F442-Y455 HydrophobicContact CD2-CD1 3.73Å; F442-Y455 HydrophobicContact CD2-CD2 4.12Å; F442-Y455 AromaticContact CD2-CE1 3.66Å; F442-Y455 HydrophobicContact CD2-CE1 3.66Å; F442-Y455 HydrophobicContact CD2-CE2 4.08Å; F442-Y455 AromaticContact CD2-CG 3.95Å; F442-Y455 HydrophobicContact CD2-CG 3.95Å; F442-Y455 AromaticContact CD2-CZ 3.84Å; F442-Y455 HydrophobicContact CE2-CD1 4.35Å; F442-Y455 HydrophobicContact CE2-CE1 4.19Å; F442-Y455 HydrophobicContact CG-CD2 4.47Å; F442-Y455 HydrophobicContact CG-CE2 4.31Å; F442-N477 HydrophobicContact CD1-CB 3.85Å; F442-N477 WeakPolarHBondContact CD1-OD1 3.37Å; F442-N477 HydrophobicContact CD2-CB 3.86Å; F442-N477 HydrophobicContact CE1-CB 3.91Å; F442-N477 VanDerWaalsContact CE1-OD1 3.24Å; F442-N477 WeakPolarHBondContact CE1-OD1 3.2Å; F442-N477 HydrophobicContact CE2-CB 3.93Å; F442-N477 HydrophobicContact CG-CB 3.81Å; F442-N477 HydrophobicContact CZ-CB 3.95Å; F442-N477 WeakPolarHBondContact CZ-O 3.2Å; F442-V480 HydrophobicContact CZ-CB 4.13Å; F442-V480 HydrophobicContact CZ-CG1 4.23Å; F442-L481 HydrophobicContact CE2-CD1 4.12Å; F442-L481 HydrophobicContact CE2-CD2 4Å; F442-L481 HydrophobicContact CE2-CG 3.9Å; F442-L481 HydrophobicContact CZ-CD2 4.37Å; F442-L481 HydrophobicContact CZ-CG 4.38Å
443A96.7Very high95.9Very high1 Ų125.9 Ų25.91%0.00816%0.156CC..Hα-helixtrans-59.6-41.7175.700000111.5F347 Y349 D439 D440 A445 R446 A447F347-A443 HydrophobicContact CE1-CB 4.5Å; F347-A443 HydrophobicContact CZ-CB 4.05Å; Y349-A443 HydrophobicContact CE1-CB 4.44Å; Y349-A443 WeakPolarHBondContact CE1-O 3.49Å; D439-A443 PolarHBondContact O-N 2.68Å; D440-A443 PolarHBondContact O-N 3.44Å; A443-A445 VanDerWaalsContact C-N 3.34Å; A443-A445 PolarHBondContact O-N 2.74Å; A443-R446 PolarHBondContact O-N 2.76Å; A443-A447 WeakPolarHBondContact O-CB 3.41Å; A443-A447 PolarHBondContact O-N 3.45Å
444F96.3Very high95.8Very high6 Ų627.4 Ų27.43%0.02617%0.17CC..Hα-helixtrans-65.1-36.3173.7-58.8-40000112.6V326 F347 R409 V410 R411 D440 L441 F442 A447 G448 Q449 V450V326-F444 HydrophobicContact CB-CE1 4.29Å; V326-F444 HydrophobicContact CG2-CE1 3.57Å; V326-F444 HydrophobicContact CG2-CZ 3.63Å; F347-F444 HydrophobicContact CD2-CD1 4.31Å; F347-F444 HydrophobicContact CD2-CE1 4.06Å; F347-F444 AromaticContact CE2-CD1 3.69Å; F347-F444 HydrophobicContact CE2-CD1 3.69Å; F347-F444 AromaticContact CE2-CE1 3.85Å; F347-F444 HydrophobicContact CE2-CE1 3.85Å; R409-F444 HydrophobicContact CB-CE1 4.39Å; R409-F444 HydrophobicContact CB-CZ 4.09Å; V410-F444 WeakPolarHBondContact O-CE2 3.13Å; R411-F444 HydrophobicContact CB-CE2 3.79Å; R411-F444 HydrophobicContact CB-CZ 3.77Å; R411-F444 HydrophobicContact CG-CD2 4.47Å; R411-F444 HydrophobicContact CG-CE2 4.13Å; R411-F444 HydrophobicContact CG-CZ 4.46Å; D440-F444 HydrophobicContact CB-CE2 3.94Å; D440-F444 HydrophobicContact CB-CZ 4.32Å; D440-F444 WeakPolarHBondContact O-CD2 3.49Å; D440-F444 WeakPolarHBondContact O-CE2 3.25Å; D440-F444 VanDerWaalsContact O-CG 3.22Å; D440-F444 WeakPolarHBondContact O-CG 3.38Å; D440-F444 PolarHBondContact O-N 2.93Å; L441-F444 PolarHBondContact O-N 3.29Å; F442-F444 VanDerWaalsContact C-N 3.31Å; F442-F444 PolarHBondContact O-N 3.24Å; F444-A447 PolarHBondContact O-N 2.89Å; F444-G448 PolarHBondContact O-N 3.06Å; F444-Q449 HydrophobicContact CB-CB 4.36Å; F444-Q449 WeakPolarHBondContact O-CB 3.46Å; F444-Q449 PolarHBondContact O-N 2.95Å; F444-V450 HydrophobicContact CB-CG1 4.41Å; F444-V450 HydrophobicContact CB-CG2 3.8Å; F444-V450 PolarHBondContact O-N 3.25Å
445A95.4Very high95.8Very high2 Ų226.9 Ų26.92%0.01717%0.167CC..Hα-helixtrans-66.9-44.2176.500000111.1L441 F442 A443 A447 G448 V450 H452L441-A445 PolarHBondContact O-N 3.08Å; F442-A445 WeakPolarHBondContact O-CB 3.49Å; F442-A445 PolarHBondContact O-N 3Å; A443-A445 VanDerWaalsContact C-N 3.34Å; A443-A445 PolarHBondContact O-N 2.74Å; A445-A447 VanDerWaalsContact C-N 3.31Å; A445-A447 PolarHBondContact O-N 3.3Å; A445-G448 PolarHBondContact O-N 2.96Å; A445-V450 WeakPolarHBondContact CA-O 3.28Å; A445-V450 HydrophobicContact CB-CG2 3.85Å; A445-H452 PolarHBondContact O-CE1 3.32Å; A445-H452 VanDerWaalsContact O-CE1 3.31Å
446R91.4Very high95.8Very high55 Ų5529 Ų2921%0.20818%0.178CC..Hα-helixtrans-63.4-36175.7-170.7178.7-167.5-174.99.7112Y349 F442 A443 G448 L707Y349-R446 HydrophobicContact CD1-CB 4.2Å; Y349-R446 HydrophobicContact CD1-CG 4.03Å; Y349-R446 HydrophobicContact CE1-CB 3.75Å; Y349-R446 HydrophobicContact CE1-CG 3.77Å; F442-R446 WeakPolarHBondContact O-CB 3.15Å; F442-R446 PolarHBondContact O-N 3.27Å; A443-R446 PolarHBondContact O-N 2.76Å; R446-G448 PolarHBondContact O-N 3.36Å; R446-L707 HydrophobicContact CG-CD2 4.33Å; R446-L707 VanDerWaalsContact CZ-O 3.27Å; R446-L707 PolarHBondContact NE-O 3.15Å; R446-L707 VanDerWaalsContact NH2-CB 3.29Å; R446-L707 PolarHBondContact NH2-O 3.25Å
447A90.9Very high95.8Very high19 Ų1934.3 Ų34.316%0.15720%0.203CC..THydrogen-bonded Turntrans-74.41.8172.400000114.1F347 Y349 A443 F444 A445 Q449F347-A447 HydrophobicContact CE2-CB 4.08Å; F347-A447 HydrophobicContact CZ-CB 4.03Å; Y349-A447 HydrophobicContact CD1-CB 3.88Å; A443-A447 WeakPolarHBondContact O-CB 3.41Å; A443-A447 PolarHBondContact O-N 3.45Å; F444-A447 PolarHBondContact O-N 2.89Å; A445-A447 VanDerWaalsContact C-N 3.31Å; A445-A447 PolarHBondContact O-N 3.3Å; A447-Q449 HydrophobicContact CB-CG 3.94Å; A447-Q449 PolarHBondContact O-N 3.46Å
448G91.5Very high95.8Very high67 Ų6734.7 Ų34.769%0.69121%0.206SC*.THydrogen-bonded Turntrans67.717.7-178.300000114.2F444 A445 R446F444-G448 PolarHBondContact O-N 3.06Å; A445-G448 PolarHBondContact O-N 2.96Å; R446-G448 PolarHBondContact O-N 3.36Å
449Q91.9Very high95.8Very high62 Ų6234.7 Ų34.729%0.2921%0.206SC..SBendtrans-90.1-17.1-178.1-57.3-173.817.900113.6R411 F444 A447R411-Q449 PolarHBondContact NH2-O 2.95Å; F444-Q449 HydrophobicContact CB-CB 4.36Å; F444-Q449 WeakPolarHBondContact O-CB 3.46Å; F444-Q449 PolarHBondContact O-N 2.95Å; A447-Q449 HydrophobicContact CB-CG 3.94Å; A447-Q449 PolarHBondContact O-N 3.46Å
450V94.1Very high95.8Very high42 Ų4238.3 Ų38.326%0.25522%0.224SC..SBendtrans-143.6169.3171.7-60.20000109.4L441 F444 A445L441-V450 HydrophobicContact CD1-CG2 3.97Å; F444-V450 HydrophobicContact CB-CG1 4.41Å; F444-V450 HydrophobicContact CB-CG2 3.8Å; F444-V450 PolarHBondContact O-N 3.25Å; A445-V450 WeakPolarHBondContact CA-O 3.28Å; A445-V450 HydrophobicContact CB-CG2 3.85Å
451S95.3Very high95.8Very high67 Ų6741.1 Ų41.147%0.46924%0.237SC..  trans-80.1144.8175.8179.90000111.7V453 A454S451-V453 PolarHBondContact O-N 2.9Å; S451-V453 WeakPolarHBondContact OG-CB 3.4Å; S451-V453 PolarHBondContact OG-N 3.42Å; S451-V453 VanDerWaalsContact OG-N 3.08Å; S451-A454 WeakPolarHBondContact O-CB 3.45Å; S451-A454 PolarHBondContact O-N 2.94Å; S451-A454 VanDerWaalsContact O-N 3.07Å
452H95.1Very high95.8Very high73 Ų7339.8 Ų39.834%0.33823%0.23SC..Hα-helixtrans-62.5-23168-68.787.5000112.5A445 A454 Y455 L456A445-H452 PolarHBondContact O-CE1 3.32Å; A445-H452 VanDerWaalsContact O-CE1 3.31Å; H452-A454 VanDerWaalsContact C-N 3.31Å; H452-A454 PolarHBondContact O-N 3.23Å; H452-Y455 WeakPolarHBondContact O-CB 3.3Å; H452-Y455 PolarHBondContact O-N 2.68Å; H452-L456 WeakPolarHBondContact O-CG 3.3Å; H452-L456 PolarHBondContact O-N 2.72Å
453V96.4Very high95.7Very high83 Ų8345.3 Ų45.350%0.50325%0.254SS..Hα-helixtrans-62.7-40.3172.3179.20000110.6S451 Y455 L456 E457S451-V453 PolarHBondContact O-N 2.9Å; S451-V453 WeakPolarHBondContact OG-CB 3.4Å; S451-V453 PolarHBondContact OG-N 3.42Å; S451-V453 VanDerWaalsContact OG-N 3.08Å; V453-Y455 VanDerWaalsContact C-N 3.27Å; V453-Y455 PolarHBondContact O-N 2.77Å; V453-L456 PolarHBondContact O-N 2.77Å; V453-L456 VanDerWaalsContact O-N 3.14Å; V453-E457 HydrophobicContact CG1-CG 4.29Å; V453-E457 WeakPolarHBondContact O-CB 3.49Å; V453-E457 WeakPolarHBondContact O-CG 3.2Å; V453-E457 PolarHBondContact O-N 3.23Å
454A96.4Very high95.6Very high34 Ų3447.7 Ų47.728%0.28127%0.274SS..Hα-helixtrans-63.4-34.7177.500000111.9S451 H452 L458S451-A454 WeakPolarHBondContact O-CB 3.45Å; S451-A454 PolarHBondContact O-N 2.94Å; S451-A454 VanDerWaalsContact O-N 3.07Å; H452-A454 VanDerWaalsContact C-N 3.31Å; H452-A454 PolarHBondContact O-N 3.23Å; A454-L458 PolarHBondContact O-N 2.69Å
455Y97.7Very high95.6Very high0 Ų047.6 Ų47.60%027%0.273CS..Hα-helixtrans-65.2-47.3172172.3-104.8000111.8C438 F442 H452 V453 E457 L458 L459 N477 L478 L481C438-Y455 HydrophobicContact CB-CE2 4.33Å; C438-Y455 WeakPolarHBondContact O-CE2 3.5Å; F442-Y455 HydrophobicContact CB-CD2 3.81Å; F442-Y455 HydrophobicContact CB-CE2 3.73Å; F442-Y455 HydrophobicContact CB-CG 4.41Å; F442-Y455 AromaticContact CD2-CD1 3.73Å; F442-Y455 HydrophobicContact CD2-CD1 3.73Å; F442-Y455 HydrophobicContact CD2-CD2 4.12Å; F442-Y455 AromaticContact CD2-CE1 3.66Å; F442-Y455 HydrophobicContact CD2-CE1 3.66Å; F442-Y455 HydrophobicContact CD2-CE2 4.08Å; F442-Y455 AromaticContact CD2-CG 3.95Å; F442-Y455 HydrophobicContact CD2-CG 3.95Å; F442-Y455 AromaticContact CD2-CZ 3.84Å; F442-Y455 HydrophobicContact CE2-CD1 4.35Å; F442-Y455 HydrophobicContact CE2-CE1 4.19Å; F442-Y455 HydrophobicContact CG-CD2 4.47Å; F442-Y455 HydrophobicContact CG-CE2 4.31Å; H452-Y455 WeakPolarHBondContact O-CB 3.3Å; H452-Y455 PolarHBondContact O-N 2.68Å; V453-Y455 VanDerWaalsContact C-N 3.27Å; V453-Y455 PolarHBondContact O-N 2.77Å; Y455-E457 VanDerWaalsContact C-N 3.29Å; Y455-E457 PolarHBondContact O-N 3.21Å; Y455-L458 WeakPolarHBondContact O-CB 3.21Å; Y455-L458 PolarHBondContact O-N 2.89Å; Y455-L458 VanDerWaalsContact O-N 3.16Å; Y455-L459 HydrophobicContact CD1-CD1 4.29Å; Y455-L459 HydrophobicContact CE1-CD1 3.6Å; Y455-L459 HydrophobicContact CE1-CG 4.09Å; Y455-L459 HydrophobicContact CE2-CD2 4.02Å; Y455-L459 HydrophobicContact CE2-CG 4.24Å; Y455-L459 WeakPolarHBondContact O-CG 3.39Å; Y455-L459 PolarHBondContact O-N 3.19Å; Y455-N477 HydrophobicContact CE1-CB 4.48Å; Y455-N477 VanDerWaalsContact OH-CB 3.32Å; Y455-N477 WeakPolarHBondContact OH-CB 3.45Å; Y455-L478 HydrophobicContact CE1-CD2 4.46Å; Y455-L481 HydrophobicContact CD1-CD1 4.39Å; Y455-L481 HydrophobicContact CE1-CD1 4.44Å
456L97.8Very high95.5Very high44 Ų4451.3 Ų51.323%0.2329%0.29CS..Hα-helixtrans-63.6-34.9177.4-64.2175.2000112.6H452 V453 L459 L478 L481 L494 F497H452-L456 WeakPolarHBondContact O-CG 3.3Å; H452-L456 PolarHBondContact O-N 2.72Å; V453-L456 PolarHBondContact O-N 2.77Å; V453-L456 VanDerWaalsContact O-N 3.14Å; L456-L459 HydrophobicContact CD2-CD1 4.43Å; L456-L459 PolarHBondContact O-N 3.03Å; L456-L478 HydrophobicContact CD2-CD2 4.11Å; L456-L481 HydrophobicContact CD2-CD1 4.34Å; L456-L494 HydrophobicContact CD2-CD1 4.38Å; L456-F497 HydrophobicContact CD2-CD1 4.14Å; L456-F497 HydrophobicContact CD2-CE1 3.86Å; L456-F497 HydrophobicContact CD2-CZ 4.18Å
457E97.3Very high95.7Very high115 Ų11550.3 Ų50.354%0.53729%0.289SS..Hα-helixtrans-65.2-43172.3-73.9171.8168.400111.5V453 Y455 L459 L460V453-E457 HydrophobicContact CG1-CG 4.29Å; V453-E457 WeakPolarHBondContact O-CB 3.49Å; V453-E457 WeakPolarHBondContact O-CG 3.2Å; V453-E457 PolarHBondContact O-N 3.23Å; Y455-E457 VanDerWaalsContact C-N 3.29Å; Y455-E457 PolarHBondContact O-N 3.21Å; E457-L459 VanDerWaalsContact C-N 3.3Å; E457-L459 PolarHBondContact O-N 2.88Å; E457-L460 VanDerWaalsContact O-CB 3.28Å; E457-L460 WeakPolarHBondContact O-CB 3.34Å; E457-L460 WeakPolarHBondContact O-CG 3.41Å; E457-L460 PolarHBondContact O-N 3.41Å; E457-L460 VanDerWaalsContact O-N 3.12Å
458L97.8Very high95.9Very high11 Ų1149.9 Ų49.96%0.05828%0.284CS..Hα-helixtrans-58.3-43.4173.8176.765.9000111.1L421 V437 C438 L441 A454 Y455 L460 H461 Y462L421-L458 HydrophobicContact CD2-CD1 3.54Å; V437-L458 HydrophobicContact CG1-CD2 4.21Å; C438-L458 HydrophobicContact CB-CD2 3.94Å; L441-L458 HydrophobicContact CB-CD2 4.08Å; L441-L458 HydrophobicContact CD2-CB 3.73Å; L441-L458 HydrophobicContact CD2-CD2 3.51Å; L441-L458 HydrophobicContact CD2-CG 4.2Å; L441-L458 HydrophobicContact CG-CD2 4.44Å; A454-L458 PolarHBondContact O-N 2.69Å; Y455-L458 WeakPolarHBondContact O-CB 3.21Å; Y455-L458 PolarHBondContact O-N 2.89Å; Y455-L458 VanDerWaalsContact O-N 3.16Å; L458-L460 PolarHBondContact O-N 3.28Å; L458-L460 VanDerWaalsContact O-N 3.08Å; L458-H461 WeakPolarHBondContact O-CB 3.29Å; L458-H461 PolarHBondContact O-N 2.78Å; L458-Y462 HydrophobicContact CD1-CE2 4.1Å; L458-Y462 HydrophobicContact CD2-CE2 4.41Å; L458-Y462 HydrophobicContact CG-CE2 3.92Å; L458-Y462 WeakPolarHBondContact O-CD2 3.27Å
459L98.2Very high96Very high0 Ų046.7 Ų46.70%025%0.251CS..Hα-helixtrans-60.5-19.1178.8-67.8-170.6000113.7C438 Y455 L456 E457 H461 Y462 I474 L478 F497 F501C438-L459 HydrophobicContact CB-CD2 4.49Å; Y455-L459 HydrophobicContact CD1-CD1 4.29Å; Y455-L459 HydrophobicContact CE1-CD1 3.6Å; Y455-L459 HydrophobicContact CE1-CG 4.09Å; Y455-L459 HydrophobicContact CE2-CD2 4.02Å; Y455-L459 HydrophobicContact CE2-CG 4.24Å; Y455-L459 WeakPolarHBondContact O-CG 3.39Å; Y455-L459 PolarHBondContact O-N 3.19Å; L456-L459 HydrophobicContact CD2-CD1 4.43Å; L456-L459 PolarHBondContact O-N 3.03Å; E457-L459 VanDerWaalsContact C-N 3.3Å; E457-L459 PolarHBondContact O-N 2.88Å; L459-H461 PolarHBondContact O-N 2.67Å; L459-Y462 HydrophobicContact CD2-CD2 4.41Å; L459-Y462 PolarHBondContact O-N 3.29Å; L459-I474 HydrophobicContact CD1-CG2 4.08Å; L459-I474 HydrophobicContact CD2-CD1 3.86Å; L459-I474 HydrophobicContact CD2-CG1 3.83Å; L459-I474 HydrophobicContact CD2-CG2 4.1Å; L459-L478 HydrophobicContact CD1-CD1 4.32Å; L459-L478 HydrophobicContact CD1-CD2 4.01Å; L459-L478 HydrophobicContact CD1-CG 4.29Å; L459-F497 HydrophobicContact CB-CZ 3.95Å; L459-F497 HydrophobicContact CD1-CE1 4.03Å; L459-F497 HydrophobicContact CD1-CZ 4.21Å; L459-F501 HydrophobicContact CB-CE2 4.36Å; L459-F501 WeakPolarHBondContact O-CE2 3.26Å
460L97.3Very high96.3Very high84 Ų8443.7 Ų43.744%0.4424%0.237SC..G310 helixtrans-62.8-22.8173.1-58.8176.9000112.6E457 L458 Y462 K463 F497E457-L460 VanDerWaalsContact O-CB 3.28Å; E457-L460 WeakPolarHBondContact O-CB 3.34Å; E457-L460 WeakPolarHBondContact O-CG 3.41Å; E457-L460 PolarHBondContact O-N 3.41Å; E457-L460 VanDerWaalsContact O-N 3.12Å; L458-L460 PolarHBondContact O-N 3.28Å; L458-L460 VanDerWaalsContact O-N 3.08Å; L460-Y462 VanDerWaalsContact C-N 3.33Å; L460-K463 WeakPolarHBondContact O-CG 3.12Å; L460-F497 HydrophobicContact CD2-CE2 4.01Å
461H97.9Very high96.4Very high64 Ų6441.7 Ų41.730%0.29623%0.225SC..G310 helixtrans-81.3-10173.2-66.1-76.2000113.5I424 S425 L458 L459I424-H461 HydrophobicContact CG2-CB 4.22Å; S425-H461 VanDerWaalsContact CA-O 3.31Å; S425-H461 WeakPolarHBondContact CA-O 3.42Å; S425-H461 WeakPolarHBondContact OG-CB 3.34Å; S425-H461 PolarHBondContact OG-ND1 3.2Å; L458-H461 WeakPolarHBondContact O-CB 3.29Å; L458-H461 PolarHBondContact O-N 2.78Å; L459-H461 PolarHBondContact O-N 2.67Å
462Y98.2Very high96.5Very high2 Ų239.1 Ų39.11%0.00821%0.206CC..G310 helixtrans-102.711.7179.8-69.1-103.4000112.5I424 R434 C438 L458 L459 L460 A464 E465 V470 I474I424-Y462 HydrophobicContact CG2-CD1 4.13Å; I424-Y462 HydrophobicContact CG2-CD2 3.84Å; I424-Y462 HydrophobicContact CG2-CE1 3.77Å; I424-Y462 HydrophobicContact CG2-CE2 3.41Å; I424-Y462 VanDerWaalsContact CG2-CE2 3.41Å; I424-Y462 HydrophobicContact CG2-CG 4.18Å; R434-Y462 HydrophobicContact CB-CE1 4.03Å; R434-Y462 PolarHBondContact O-OH 2.93Å; C438-Y462 HydrophobicContact CB-CE1 4.41Å; C438-Y462 HydrophobicContact CB-CE2 4.14Å; L458-Y462 HydrophobicContact CD1-CE2 4.1Å; L458-Y462 HydrophobicContact CD2-CE2 4.41Å; L458-Y462 HydrophobicContact CG-CE2 3.92Å; L458-Y462 WeakPolarHBondContact O-CD2 3.27Å; L459-Y462 HydrophobicContact CD2-CD2 4.41Å; L459-Y462 PolarHBondContact O-N 3.29Å; L460-Y462 VanDerWaalsContact C-N 3.33Å; Y462-A464 PolarHBondContact O-N 3.46Å; Y462-A464 VanDerWaalsContact O-N 3.13Å; Y462-E465 HydrophobicContact CD1-CB 4.46Å; Y462-E465 HydrophobicContact CD1-CG 4.45Å; Y462-E465 WeakPolarHBondContact O-CB 3.21Å; Y462-E465 PolarHBondContact O-N 3.02Å; Y462-V470 HydrophobicContact CD1-CG1 3.61Å; Y462-V470 HydrophobicContact CE1-CG1 3.61Å; Y462-I474 HydrophobicContact CD1-CD1 3.84Å; Y462-I474 HydrophobicContact CG-CD1 4.03Å
463K95.4Very high96.5Very high121 Ų12135.8 Ų35.853%0.52619%0.191SC..THydrogen-bonded Turntrans-60.6-23.7-176.2-77.6-177.4179.3-175.60114.9L460 H504L460-K463 WeakPolarHBondContact O-CG 3.12Å; K463-H504 PolarHBondContact O-CE1 2.88Å; K463-H504 PolarHBondContact O-NE2 2.71Å
464A94.7Very high96.6Very high51 Ų5131.8 Ų31.842%0.42117%0.167SC..THydrogen-bonded Turntrans-103.37.2178.500000112.4M427 Y462M427-A464 HydrophobicContact CE-CB 4.4Å; M427-A464 WeakPolarHBondContact CE-O 3.46Å; M427-A464 VanDerWaalsContact SD-O 3.33Å; Y462-A464 PolarHBondContact O-N 3.46Å; Y462-A464 VanDerWaalsContact O-N 3.13Å
465E96.7Very high96.6Very high4 Ų430.2 Ų30.22%0.01915%0.154CC..  trans-66.7139.7-178.5-176.660.7-96.400110.9R434 Y462 D467 V470 L471R434-E465 IonicContact CZ-OE1 2.67Å; R434-E465 IonicContact CZ-OE2 2.59Å; R434-E465 VanDerWaalsContact CZ-OE2 3.29Å; R434-E465 IonicContact NE-OE2 3.6Å; R434-E465 PolarHBondContact NE-OE2 3.17Å; R434-E465 VanDerWaalsContact NH2-CD 3.28Å; R434-E465 IonicContact NH2-OE1 3.19Å; R434-E465 PolarHBondContact NH2-OE1 3.07Å; R434-E465 IonicContact NH2-OE2 2.74Å; R434-E465 PolarHBondContact NH2-OE2 3.43Å; Y462-E465 HydrophobicContact CD1-CB 4.46Å; Y462-E465 HydrophobicContact CD1-CG 4.45Å; Y462-E465 WeakPolarHBondContact O-CB 3.21Å; Y462-E465 PolarHBondContact O-N 3.02Å; E465-D467 WeakPolarHBondContact OE1-CB 3.11Å; E465-D467 PolarHBondContact OE1-N 3.11Å; E465-V470 HydrophobicContact CG-CB 3.75Å; E465-V470 HydrophobicContact CG-CG1 3.64Å; E465-V470 HydrophobicContact CG-CG2 4.47Å; E465-L471 HydrophobicContact CB-CD2 4.16Å; E465-L471 HydrophobicContact CB-CG 4.43Å; E465-L471 HydrophobicContact CG-CD1 4.47Å; E465-L471 HydrophobicContact CG-CD2 4.02Å; E465-L471 HydrophobicContact CG-CG 3.85Å; E465-L471 WeakPolarHBondContact O-CD1 3.41Å
466E94.3Very high96.5Very high79 Ų7933.4 Ų33.437%0.36918%0.177SC..  trans-133.5-7.5179.3-59.4-168.4172.700112.8L505 K508E466-L505 HydrophobicContact CG-CD2 4.12Å; E466-K508 IonicContact OE1-NZ 2.88Å; E466-K508 PolarHBondContact OE1-NZ 3.47Å; E466-K508 IonicContact OE2-NZ 3.55Å; E466-K508 PolarHBondContact OE2-NZ 3.4Å
467D94.9Very high96.4Very high34 Ų3431.8 Ų31.818%0.18217%0.168CC..  trans-71.6136.3-178.5-172.9-89000112.2P431 E465 T469 V470 L471P431-D467 HydrophobicContact CB-CB 4.27Å; P431-D467 VanDerWaalsContact CB-CG 3.41Å; P431-D467 WeakPolarHBondContact CB-OD1 3.44Å; P431-D467 WeakPolarHBondContact CB-OD2 3.23Å; P431-D467 VanDerWaalsContact CG-OD2 3.31Å; P431-D467 WeakPolarHBondContact CG-OD2 3.26Å; E465-D467 WeakPolarHBondContact OE1-CB 3.11Å; E465-D467 PolarHBondContact OE1-N 3.11Å; D467-T469 WeakPolarHBondContact OD1-CB 3.4Å; D467-T469 PolarHBondContact OD1-N 3.09Å; D467-V470 HydrophobicContact CB-CB 4.32Å; D467-V470 HydrophobicContact CB-CG2 3.98Å; D467-V470 PolarHBondContact O-N 3.48Å; D467-V470 PolarHBondContact OD1-N 3.01Å; D467-L471 WeakPolarHBondContact O-CB 2.93Å; D467-L471 WeakPolarHBondContact O-CG 3.42Å; D467-L471 PolarHBondContact O-N 2.94Å
468F94.9Very high96.3Very high10 Ų1026.3 Ų26.34%0.04414%0.142CC..Hα-helixtrans-62.8-46-178172.8-87.2000113Q149 V470 L471 S472 T520 M523 L524 I527Q149-F468 VanDerWaalsContact CD-CE1 3.49Å; Q149-F468 HydrophobicContact CG-CD1 3.72Å; Q149-F468 HydrophobicContact CG-CE1 3.56Å; F468-V470 VanDerWaalsContact C-N 3.29Å; F468-V470 PolarHBondContact O-N 3.05Å; F468-L471 PolarHBondContact O-N 2.8Å; F468-S472 WeakPolarHBondContact O-CB 3.3Å; F468-S472 PolarHBondContact O-N 3Å; F468-S472 PolarHBondContact O-OG 2.96Å; F468-T520 HydrophobicContact CB-CG2 4.11Å; F468-T520 WeakPolarHBondContact CD2-O 3.45Å; F468-T520 HydrophobicContact CG-CG2 4.2Å; F468-M523 HydrophobicContact CD2-CB 4.26Å; F468-M523 HydrophobicContact CE1-CE 4.46Å; F468-M523 HydrophobicContact CE2-CB 3.65Å; F468-M523 HydrophobicContact CE2-CE 4.01Å; F468-M523 HydrophobicContact CZ-CB 4.46Å; F468-M523 HydrophobicContact CZ-CE 3.67Å; F468-L524 HydrophobicContact CB-CD2 4.44Å; F468-L524 HydrophobicContact CD2-CB 4Å; F468-L524 HydrophobicContact CD2-CD1 4.18Å; F468-L524 HydrophobicContact CD2-CG 4.5Å; F468-I527 HydrophobicContact CE2-CD1 4.19Å
469T93.9Very high96.1Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-64.7-38.5-176.9-68.50000110.6T148 Q149 V152 V432 M435 D467 S472 S473T148-T469 WeakPolarHBondContact CB-OG1 3.31Å; T148-T469 WeakPolarHBondContact O-CG2 3.5Å; T148-T469 PolarHBondContact OG1-OG1 2.85Å; Q149-T469 PolarHBondContact N-OG1 2.86Å; V152-T469 HydrophobicContact CG2-CG2 3.91Å; V152-T469 WeakPolarHBondContact CG2-O 3.29Å; V432-T469 HydrophobicContact CG2-CG2 4.4Å; M435-T469 HydrophobicContact CB-CG2 4.34Å; M435-T469 HydrophobicContact CE-CG2 4.45Å; M435-T469 HydrophobicContact CG-CG2 4.23Å; M435-T469 WeakPolarHBondContact CG-O 3.29Å; D467-T469 WeakPolarHBondContact OD1-CB 3.4Å; D467-T469 PolarHBondContact OD1-N 3.09Å; T469-S472 PolarHBondContact O-OG 2.9Å; T469-S473 PolarHBondContact O-N 3.48Å
470V97.4Very high95.7Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-70.7-49.9176-171.30000111.4P431 R434 M435 Y462 E465 D467 F468 S472 S473 I474P431-V470 HydrophobicContact CB-CG2 4.19Å; P431-V470 VanDerWaalsContact O-CG2 3.29Å; P431-V470 WeakPolarHBondContact O-CG2 3.14Å; R434-V470 HydrophobicContact CB-CG2 4.15Å; M435-V470 HydrophobicContact CB-CB 4.45Å; M435-V470 HydrophobicContact CB-CG2 4.07Å; Y462-V470 HydrophobicContact CD1-CG1 3.61Å; Y462-V470 HydrophobicContact CE1-CG1 3.61Å; E465-V470 HydrophobicContact CG-CB 3.75Å; E465-V470 HydrophobicContact CG-CG1 3.64Å; E465-V470 HydrophobicContact CG-CG2 4.47Å; D467-V470 HydrophobicContact CB-CB 4.32Å; D467-V470 HydrophobicContact CB-CG2 3.98Å; D467-V470 PolarHBondContact O-N 3.48Å; D467-V470 PolarHBondContact OD1-N 3.01Å; F468-V470 VanDerWaalsContact C-N 3.29Å; F468-V470 PolarHBondContact O-N 3.05Å; V470-S472 PolarHBondContact O-N 2.88Å; V470-S473 PolarHBondContact O-N 3.11Å; V470-I474 HydrophobicContact CG1-CD1 3.89Å; V470-I474 WeakPolarHBondContact O-CG1 3.21Å; V470-I474 PolarHBondContact O-N 2.89Å
471L97.5Very high95.4Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-72-29.8-175.3-72171.8000113.2E465 D467 F468 I474 A475 F501 F502 L505 W509 L524E465-L471 HydrophobicContact CB-CD2 4.16Å; E465-L471 HydrophobicContact CB-CG 4.43Å; E465-L471 HydrophobicContact CG-CD1 4.47Å; E465-L471 HydrophobicContact CG-CD2 4.02Å; E465-L471 HydrophobicContact CG-CG 3.85Å; E465-L471 WeakPolarHBondContact O-CD1 3.41Å; D467-L471 WeakPolarHBondContact O-CB 2.93Å; D467-L471 WeakPolarHBondContact O-CG 3.42Å; D467-L471 PolarHBondContact O-N 2.94Å; F468-L471 PolarHBondContact O-N 2.8Å; L471-I474 HydrophobicContact CD2-CD1 4.48Å; L471-I474 PolarHBondContact O-N 3.28Å; L471-A475 WeakPolarHBondContact O-CB 3.27Å; L471-A475 PolarHBondContact O-N 3.02Å; L471-F501 HydrophobicContact CD2-CE1 3.84Å; L471-F501 HydrophobicContact CD2-CZ 4.26Å; L471-F502 HydrophobicContact CD2-CE1 4.37Å; L471-L505 HydrophobicContact CD1-CD1 3.59Å; L471-L505 HydrophobicContact CD2-CD1 4.22Å; L471-W509 HydrophobicContact CD1-CH2 4.36Å; L471-L524 HydrophobicContact CB-CD1 3.79Å; L471-L524 HydrophobicContact CB-CD2 4.06Å; L471-L524 HydrophobicContact CB-CG 4.46Å; L471-L524 HydrophobicContact CD1-CD2 3.65Å; L471-L524 HydrophobicContact CD1-CG 4.48Å; L471-L524 HydrophobicContact CG-CD2 4.49Å
472S96.1Very high95.2Very high12 Ų1223.5 Ų23.58%0.08413%0.132CC..Hα-helixtrans-65.7-43.2174.667.50000111.1F468 T469 V470 A475 S476F468-S472 WeakPolarHBondContact O-CB 3.3Å; F468-S472 PolarHBondContact O-N 3Å; F468-S472 PolarHBondContact O-OG 2.96Å; T469-S472 PolarHBondContact O-OG 2.9Å; V470-S472 PolarHBondContact O-N 2.88Å; S472-A475 PolarHBondContact O-N 3.21Å; S472-S476 WeakPolarHBondContact O-CB 3.3Å; S472-S476 PolarHBondContact O-N 3.06Å
473S96.5Very high94.6Very high3 Ų325.6 Ų25.62%0.02114%0.143CC..Hα-helixtrans-61.4-49.1172.7176.10000111.6T469 V470 A475 S476 N477T469-S473 PolarHBondContact O-N 3.48Å; V470-S473 PolarHBondContact O-N 3.11Å; S473-A475 VanDerWaalsContact C-N 3.34Å; S473-A475 PolarHBondContact O-N 3.27Å; S473-S476 PolarHBondContact O-N 3.37Å; S473-N477 WeakPolarHBondContact O-CB 3.2Å; S473-N477 PolarHBondContact O-N 3.07Å; S473-N477 PolarHBondContact O-ND2 3.14Å
474I98.1Very high94.1Very high0 Ų023.1 Ų23.10%014%0.14CC..Hα-helixtrans-59.6-45.5177.2-67.9170.4000110.9L459 Y462 V470 L471 S476 N477 L478 F501 F502L459-I474 HydrophobicContact CD1-CG2 4.08Å; L459-I474 HydrophobicContact CD2-CD1 3.86Å; L459-I474 HydrophobicContact CD2-CG1 3.83Å; L459-I474 HydrophobicContact CD2-CG2 4.1Å; Y462-I474 HydrophobicContact CD1-CD1 3.84Å; Y462-I474 HydrophobicContact CG-CD1 4.03Å; V470-I474 HydrophobicContact CG1-CD1 3.89Å; V470-I474 WeakPolarHBondContact O-CG1 3.21Å; V470-I474 PolarHBondContact O-N 2.89Å; L471-I474 HydrophobicContact CD2-CD1 4.48Å; L471-I474 PolarHBondContact O-N 3.28Å; I474-S476 PolarHBondContact O-N 3.28Å; I474-N477 PolarHBondContact O-N 2.89Å; I474-L478 HydrophobicContact CG2-CD1 3.68Å; I474-L478 HydrophobicContact CG2-CG 4.2Å; I474-L478 WeakPolarHBondContact O-CB 3.43Å; I474-L478 VanDerWaalsContact O-CG 3.32Å; I474-L478 WeakPolarHBondContact O-CG 3.34Å; I474-L478 PolarHBondContact O-N 3.34Å; I474-F501 HydrophobicContact CD1-CZ 4.13Å; I474-F501 HydrophobicContact CG2-CE1 3.95Å; I474-F501 HydrophobicContact CG2-CZ 4.15Å; I474-F502 HydrophobicContact CG2-CZ 4.41Å
475A97Very high93.9Very high1 Ų120.7 Ų20.71%0.00812%0.12CC..Hα-helixtrans-59.6-45.6177.600000111.8L471 S472 S473 N479 F502 I527 I531L471-A475 WeakPolarHBondContact O-CB 3.27Å; L471-A475 PolarHBondContact O-N 3.02Å; S472-A475 PolarHBondContact O-N 3.21Å; S473-A475 VanDerWaalsContact C-N 3.34Å; S473-A475 PolarHBondContact O-N 3.27Å; A475-N479 VanDerWaalsContact O-CB 3.3Å; A475-N479 WeakPolarHBondContact O-CB 3.42Å; A475-N479 PolarHBondContact O-N 3.42Å; A475-N479 PolarHBondContact O-ND2 2.84Å; A475-N479 VanDerWaalsContact O-ND2 3.12Å; A475-F502 HydrophobicContact CB-CZ 4.46Å; A475-I527 HydrophobicContact CB-CG2 3.52Å; A475-I531 HydrophobicContact CB-CD1 3.44Å; A475-I531 VanDerWaalsContact CB-CD1 3.44Å
476S94.2Very high93.4Very high67 Ų6721.6 Ų21.647%0.46912%0.124SC..Hα-helixtrans-60.1-47.8176.4-171.50000111.6S472 S473 I474 N479 V480S472-S476 WeakPolarHBondContact O-CB 3.3Å; S472-S476 PolarHBondContact O-N 3.06Å; S473-S476 PolarHBondContact O-N 3.37Å; I474-S476 PolarHBondContact O-N 3.28Å; S476-N479 WeakPolarHBondContact O-CB 3.37Å; S476-N479 PolarHBondContact O-N 3.06Å; S476-V480 PolarHBondContact O-N 3.39Å
477N95.6Very high92.9Very high9 Ų921.3 Ų21.35%0.04814%0.143CC..Hα-helixtrans-66.2-43.1-179.6-72.1-24.9000112.3D439 F442 Y455 S473 I474 N479 V480 L481D439-N477 PolarHBondContact OD1-ND2 3.07Å; F442-N477 HydrophobicContact CD1-CB 3.85Å; F442-N477 WeakPolarHBondContact CD1-OD1 3.37Å; F442-N477 HydrophobicContact CD2-CB 3.86Å; F442-N477 HydrophobicContact CE1-CB 3.91Å; F442-N477 VanDerWaalsContact CE1-OD1 3.24Å; F442-N477 WeakPolarHBondContact CE1-OD1 3.2Å; F442-N477 HydrophobicContact CE2-CB 3.93Å; F442-N477 HydrophobicContact CG-CB 3.81Å; F442-N477 HydrophobicContact CZ-CB 3.95Å; F442-N477 WeakPolarHBondContact CZ-O 3.2Å; Y455-N477 HydrophobicContact CE1-CB 4.48Å; Y455-N477 VanDerWaalsContact OH-CB 3.32Å; Y455-N477 WeakPolarHBondContact OH-CB 3.45Å; S473-N477 WeakPolarHBondContact O-CB 3.2Å; S473-N477 PolarHBondContact O-N 3.07Å; S473-N477 PolarHBondContact O-ND2 3.14Å; I474-N477 PolarHBondContact O-N 2.89Å; N477-N479 VanDerWaalsContact C-N 3.29Å; N477-N479 PolarHBondContact O-N 3.27Å; N477-V480 WeakPolarHBondContact O-CB 3.36Å; N477-V480 PolarHBondContact O-N 3.5Å; N477-L481 PolarHBondContact O-N 3.5Å
478L96.5Very high92.6Very high0 Ų025.2 Ų25.20%016%0.155CC..Hα-helixtrans-64.4-33.9173.3-71.9174.8000112.1Y455 L456 L459 I474 V480 L481 L482 F497 F502Y455-L478 HydrophobicContact CE1-CD2 4.46Å; L456-L478 HydrophobicContact CD2-CD2 4.11Å; L459-L478 HydrophobicContact CD1-CD1 4.32Å; L459-L478 HydrophobicContact CD1-CD2 4.01Å; L459-L478 HydrophobicContact CD1-CG 4.29Å; I474-L478 HydrophobicContact CG2-CD1 3.68Å; I474-L478 HydrophobicContact CG2-CG 4.2Å; I474-L478 WeakPolarHBondContact O-CB 3.43Å; I474-L478 VanDerWaalsContact O-CG 3.32Å; I474-L478 WeakPolarHBondContact O-CG 3.34Å; I474-L478 PolarHBondContact O-N 3.34Å; L478-V480 VanDerWaalsContact C-N 3.33Å; L478-V480 PolarHBondContact O-N 2.56Å; L478-L481 HydrophobicContact CD2-CD1 4.4Å; L478-L481 PolarHBondContact O-N 2.73Å; L478-L482 WeakPolarHBondContact O-CB 3.37Å; L478-L482 VanDerWaalsContact O-CG 3.31Å; L478-L482 WeakPolarHBondContact O-CG 3.23Å; L478-L482 PolarHBondContact O-N 2.96Å; L478-F497 HydrophobicContact CD2-CD1 4.49Å; L478-F497 HydrophobicContact CD2-CE1 4.25Å; L478-F502 HydrophobicContact CD1-CE2 3.62Å; L478-F502 HydrophobicContact CD1-CZ 4.01Å
479N92.2Very high92.6Very high33 Ų3332 Ų3218%0.17619%0.191CC..Hα-helixtrans-62.6-38.6175.5-79.9-30.9000112.8A475 S476 N477 L482 N483 R534A475-N479 VanDerWaalsContact O-CB 3.3Å; A475-N479 WeakPolarHBondContact O-CB 3.42Å; A475-N479 PolarHBondContact O-N 3.42Å; A475-N479 PolarHBondContact O-ND2 2.84Å; A475-N479 VanDerWaalsContact O-ND2 3.12Å; S476-N479 WeakPolarHBondContact O-CB 3.37Å; S476-N479 PolarHBondContact O-N 3.06Å; N477-N479 VanDerWaalsContact C-N 3.29Å; N477-N479 PolarHBondContact O-N 3.27Å; N479-L482 PolarHBondContact O-N 3.31Å; N479-N483 WeakPolarHBondContact O-CB 3.49Å; N479-N483 PolarHBondContact O-N 3.36Å; N479-N483 PolarHBondContact O-ND2 3.31Å; N479-R534 PolarHBondContact OD1-NH1 3.01Å
480V89.7Confident92.6Very high39 Ų3936.1 Ų36.124%0.23621%0.209CC..Hα-helixtrans-60.2-47.9172.3174.80000110.1F442 S476 N477 L478 L482 N483 C484F442-V480 HydrophobicContact CZ-CB 4.13Å; F442-V480 HydrophobicContact CZ-CG1 4.23Å; S476-V480 PolarHBondContact O-N 3.39Å; N477-V480 WeakPolarHBondContact O-CB 3.36Å; N477-V480 PolarHBondContact O-N 3.5Å; L478-V480 VanDerWaalsContact C-N 3.33Å; L478-V480 PolarHBondContact O-N 2.56Å; V480-L482 PolarHBondContact O-N 3.08Å; V480-N483 PolarHBondContact O-N 2.98Å; V480-C484 WeakPolarHBondContact O-CB 3.38Å; V480-C484 PolarHBondContact O-N 2.91Å; V480-C484 PolarHBondContact O-SG 3.43Å
481L92.7Very high92.4Very high22 Ų2238 Ų3812%0.11522%0.218CC..Hα-helixtrans-63.3-42.6178.5-62-176.2000112.5F442 Y455 L456 N477 L478 N483 C484 S485 L494F442-L481 HydrophobicContact CE2-CD1 4.12Å; F442-L481 HydrophobicContact CE2-CD2 4Å; F442-L481 HydrophobicContact CE2-CG 3.9Å; F442-L481 HydrophobicContact CZ-CD2 4.37Å; F442-L481 HydrophobicContact CZ-CG 4.38Å; Y455-L481 HydrophobicContact CD1-CD1 4.39Å; Y455-L481 HydrophobicContact CE1-CD1 4.44Å; L456-L481 HydrophobicContact CD2-CD1 4.34Å; N477-L481 PolarHBondContact O-N 3.5Å; L478-L481 HydrophobicContact CD2-CD1 4.4Å; L478-L481 PolarHBondContact O-N 2.73Å; L481-N483 VanDerWaalsContact C-N 3.35Å; L481-N483 PolarHBondContact O-N 2.85Å; L481-C484 PolarHBondContact O-N 3.12Å; L481-S485 VanDerWaalsContact O-CB 3.29Å; L481-S485 WeakPolarHBondContact O-CB 3.42Å; L481-S485 PolarHBondContact O-N 3.49Å; L481-L494 HydrophobicContact CB-CD2 3.68Å
482L92Very high92.4Very high7 Ų746 Ų464%0.03725%0.253CS..Hα-helixtrans-59.4-46.2177.3-75.4169.7000110.9L478 N479 V480 C484 S485 Q486 L494 Q495 I531L478-L482 WeakPolarHBondContact O-CB 3.37Å; L478-L482 VanDerWaalsContact O-CG 3.31Å; L478-L482 WeakPolarHBondContact O-CG 3.23Å; L478-L482 PolarHBondContact O-N 2.96Å; N479-L482 PolarHBondContact O-N 3.31Å; V480-L482 PolarHBondContact O-N 3.08Å; L482-C484 VanDerWaalsContact C-N 3.34Å; L482-C484 PolarHBondContact O-N 3.34Å; L482-S485 PolarHBondContact O-N 3.01Å; L482-S485 PolarHBondContact O-OG 3.37Å; L482-Q486 PolarHBondContact O-N 2.9Å; L482-L494 HydrophobicContact CD2-CD2 4.04Å; L482-L494 HydrophobicContact CD2-CG 4.04Å; L482-L494 HydrophobicContact CG-CD2 4.33Å; L482-Q495 HydrophobicContact CD2-CG 4.11Å; L482-I531 HydrophobicContact CD1-CG2 4.37Å
483N86.5Confident92.5Very high46 Ų4649.1 Ų49.125%0.24627%0.273CS..Hα-helixtrans-60.9-42.9177.1-70.6-18.4000111.9N479 V480 L481 S485 R534N479-N483 WeakPolarHBondContact O-CB 3.49Å; N479-N483 PolarHBondContact O-N 3.36Å; N479-N483 PolarHBondContact O-ND2 3.31Å; V480-N483 PolarHBondContact O-N 2.98Å; L481-N483 VanDerWaalsContact C-N 3.35Å; L481-N483 PolarHBondContact O-N 2.85Å; N483-S485 VanDerWaalsContact C-N 3.31Å; N483-S485 PolarHBondContact O-N 3.34Å; N483-R534 PolarHBondContact OD1-NH2 2.83Å
484C85Confident92.5Very high68 Ų6849.6 Ų49.646%0.45928%0.276SS..Hα-helixtrans-70.9-24178.2-73.80000114V480 L481 L482 R488V480-C484 WeakPolarHBondContact O-CB 3.38Å; V480-C484 PolarHBondContact O-N 2.91Å; V480-C484 PolarHBondContact O-SG 3.43Å; L481-C484 PolarHBondContact O-N 3.12Å; L482-C484 VanDerWaalsContact C-N 3.34Å; L482-C484 PolarHBondContact O-N 3.34Å; C484-R488 WeakPolarHBondContact O-CD 3.47Å; C484-R488 PolarHBondContact O-NE 3.07Å
485S90.2Very high92.5Very high0 Ų050.3 Ų50.30%028%0.279CS..Hα-helixtrans-79.1-22.7-177.576.30000114L481 L482 N483 G487 R488 F490 E491L481-S485 VanDerWaalsContact O-CB 3.29Å; L481-S485 WeakPolarHBondContact O-CB 3.42Å; L481-S485 PolarHBondContact O-N 3.49Å; L482-S485 PolarHBondContact O-N 3.01Å; L482-S485 PolarHBondContact O-OG 3.37Å; N483-S485 VanDerWaalsContact C-N 3.31Å; N483-S485 PolarHBondContact O-N 3.34Å; S485-G487 PolarHBondContact O-N 3.31Å; S485-R488 WeakPolarHBondContact O-CA 3.28Å; S485-R488 WeakPolarHBondContact O-CB 3.49Å; S485-R488 WeakPolarHBondContact O-CG 3.32Å; S485-R488 PolarHBondContact O-N 2.84Å; S485-F490 VanDerWaalsContact CB-CE2 3.44Å; S485-E491 WeakPolarHBondContact O-CB 3.46Å
486Q86.3Confident92.5Very high23 Ų2353.4 Ų53.411%0.10730%0.295CS..THydrogen-bonded Turntrans-56125.4-172.9-72.4175.8-200112.8L482 R488 E491 K637L482-Q486 PolarHBondContact O-N 2.9Å; Q486-R488 VanDerWaalsContact C-N 3.29Å; Q486-E491 WeakPolarHBondContact CA-OE2 3.49Å; Q486-K637 PolarHBondContact NE2-O 2.85Å
487G83.9Confident92.7Very high74 Ų7452 Ų5276%0.76328%0.281SS*.THydrogen-bonded Turntrans77.68.8-177.100000114.4S485 E491S485-G487 PolarHBondContact O-N 3.31Å; G487-E491 PolarHBondContact N-OE2 2.95Å
488R88.9Confident92.8Very high116 Ų11651.6 Ų51.644%0.43828%0.279SS..SBendtrans-107.2159.4177.3-53.2-171.9-176.9-150.39.5111.2C484 S485 Q486 F490 E491C484-R488 WeakPolarHBondContact O-CD 3.47Å; C484-R488 PolarHBondContact O-NE 3.07Å; S485-R488 WeakPolarHBondContact O-CA 3.28Å; S485-R488 WeakPolarHBondContact O-CB 3.49Å; S485-R488 WeakPolarHBondContact O-CG 3.32Å; S485-R488 PolarHBondContact O-N 2.84Å; Q486-R488 VanDerWaalsContact C-N 3.29Å; R488-F490 HydrophobicContact CB-CD1 3.97Å; R488-F490 HydrophobicContact CB-CE1 3.72Å; R488-F490 HydrophobicContact CB-CZ 4.09Å; R488-F490 VanDerWaalsContact CD-CE1 3.42Å; R488-F490 HydrophobicContact CG-CE1 4.24Å; R488-F490 HydrophobicContact CG-CZ 4.35Å; R488-F490 PolarHBondContact O-N 3.39Å; R488-F490 VanDerWaalsContact O-N 3.1Å; R488-E491 WeakPolarHBondContact O-CB 3.29Å; R488-E491 PolarHBondContact O-N 3.19Å; R488-E491 VanDerWaalsContact O-N 3.11Å
489N94.2Very high92.9Very high151 Ų15154.5 Ų54.581%0.80729%0.289SS*.THydrogen-bonded Turntrans-61.2-20.6-178.564-23.3000114.3
490F93.2Very high93.1Very high87 Ų8759.4 Ų59.438%0.38231%0.311SS..THydrogen-bonded Turntrans-97.13.7178.961.5-97.5000114.6S485 R488 P493 L494S485-F490 VanDerWaalsContact CB-CE2 3.44Å; R488-F490 HydrophobicContact CB-CD1 3.97Å; R488-F490 HydrophobicContact CB-CE1 3.72Å; R488-F490 HydrophobicContact CB-CZ 4.09Å; R488-F490 VanDerWaalsContact CD-CE1 3.42Å; R488-F490 HydrophobicContact CG-CE1 4.24Å; R488-F490 HydrophobicContact CG-CZ 4.35Å; R488-F490 PolarHBondContact O-N 3.39Å; R488-F490 VanDerWaalsContact O-N 3.1Å; F490-P493 WeakPolarHBondContact O-CD 3.41Å; F490-L494 WeakPolarHBondContact O-CB 3.34Å; F490-L494 PolarHBondContact O-N 3.4Å
491E94.3Very high93.4Very high40 Ų4057.9 Ų57.919%0.18730%0.301CS..Hα-helixtrans-57-55.9177.2-174.9178.3166.500112.3S485 Q486 G487 R488 L494 Q495S485-E491 WeakPolarHBondContact O-CB 3.46Å; Q486-E491 WeakPolarHBondContact CA-OE2 3.49Å; G487-E491 PolarHBondContact N-OE2 2.95Å; R488-E491 WeakPolarHBondContact O-CB 3.29Å; R488-E491 PolarHBondContact O-N 3.19Å; R488-E491 VanDerWaalsContact O-N 3.11Å; E491-L494 PolarHBondContact O-N 3.29Å; E491-Q495 WeakPolarHBondContact O-CG 3.36Å; E491-Q495 PolarHBondContact O-N 3.33Å; E491-Q495 PolarHBondContact OE1-NE2 2.95Å; E491-Q495 VanDerWaalsContact OE1-NE2 3.08Å
492K97Very high93.6Very high167 Ų16756.8 Ų56.873%0.72630%0.296SS*.Hα-helixtrans-63.7-45-177.8-65.5-179.8179.6-177.90112.7L494 Q495 N496K492-L494 VanDerWaalsContact C-N 3.34Å; K492-L494 PolarHBondContact O-N 2.84Å; K492-Q495 PolarHBondContact O-N 3.48Å; K492-N496 WeakPolarHBondContact O-CB 3.3Å; K492-N496 PolarHBondContact O-N 3.44Å
493P97.6Very high93.7Very high79 Ų7958.4 Ų58.451%0.51330%0.303SS..Hα-helixtrans-55.4-44.5171.8-2935.1000113.8F490 N496 F497F490-P493 WeakPolarHBondContact O-CD 3.41Å; P493-N496 PolarHBondContact O-N 3.27Å; P493-F497 PolarHBondContact O-N 2.87Å
494L97.2Very high94Very high13 Ų1359.6 Ų59.67%0.06831%0.307CS..Hα-helixtrans-66.7-44.1179.2-179.763.2000111.9L456 L481 L482 F490 E491 K492 N496 F497 C498L456-L494 HydrophobicContact CD2-CD1 4.38Å; L481-L494 HydrophobicContact CB-CD2 3.68Å; L482-L494 HydrophobicContact CD2-CD2 4.04Å; L482-L494 HydrophobicContact CD2-CG 4.04Å; L482-L494 HydrophobicContact CG-CD2 4.33Å; F490-L494 WeakPolarHBondContact O-CB 3.34Å; F490-L494 PolarHBondContact O-N 3.4Å; E491-L494 PolarHBondContact O-N 3.29Å; K492-L494 VanDerWaalsContact C-N 3.34Å; K492-L494 PolarHBondContact O-N 2.84Å; L494-N496 PolarHBondContact O-N 3.19Å; L494-F497 WeakPolarHBondContact O-CB 3.32Å; L494-F497 PolarHBondContact O-N 3.34Å; L494-F497 VanDerWaalsContact O-N 3.17Å; L494-C498 PolarHBondContact O-N 2.91Å; L494-C498 PolarHBondContact O-SG 3.15Å; L494-C498 VanDerWaalsContact O-SG 3.37Å
495Q97.7Very high94.5Very high15 Ų1556.3 Ų56.37%0.0729%0.285CS..Hα-helixtrans-57.2-40.7174-72169.4-1100111.2L482 E491 K492 C498 R499 C535L482-Q495 HydrophobicContact CD2-CG 4.11Å; E491-Q495 WeakPolarHBondContact O-CG 3.36Å; E491-Q495 PolarHBondContact O-N 3.33Å; E491-Q495 PolarHBondContact OE1-NE2 2.95Å; E491-Q495 VanDerWaalsContact OE1-NE2 3.08Å; K492-Q495 PolarHBondContact O-N 3.48Å; Q495-C498 PolarHBondContact O-N 3.09Å; Q495-R499 WeakPolarHBondContact O-CG 3.42Å; Q495-R499 PolarHBondContact O-N 2.78Å; Q495-C535 HydrophobicContact CB-CB 4.13Å; Q495-C535 HydrophobicContact CG-CB 4.36Å
496N98Very high94.7Very high66 Ų6656.7 Ų56.735%0.35329%0.288SS..Hα-helixtrans-65.9-41177-170.565.8000113K492 P493 L494 R499 Q500K492-N496 WeakPolarHBondContact O-CB 3.3Å; K492-N496 PolarHBondContact O-N 3.44Å; P493-N496 PolarHBondContact O-N 3.27Å; L494-N496 PolarHBondContact O-N 3.19Å; N496-R499 VanDerWaalsContact CA-NH2 3.29Å; N496-R499 VanDerWaalsContact CB-NH2 3.35Å; N496-R499 PolarHBondContact O-N 3.13Å; N496-R499 PolarHBondContact OD1-NH2 3.4Å; N496-Q500 PolarHBondContact ND2-NE2 3.15Å; N496-Q500 WeakPolarHBondContact O-CG 3.46Å; N496-Q500 PolarHBondContact O-N 3.1Å
497F97.8Very high95Very high38 Ų3864 Ų6417%0.16731%0.314CS..Hα-helixtrans-58.1-49.9172.8175.6-88.8000111.1L456 L459 L460 L478 P493 L494 R499 Q500 F501L456-F497 HydrophobicContact CD2-CD1 4.14Å; L456-F497 HydrophobicContact CD2-CE1 3.86Å; L456-F497 HydrophobicContact CD2-CZ 4.18Å; L459-F497 HydrophobicContact CB-CZ 3.95Å; L459-F497 HydrophobicContact CD1-CE1 4.03Å; L459-F497 HydrophobicContact CD1-CZ 4.21Å; L460-F497 HydrophobicContact CD2-CE2 4.01Å; L478-F497 HydrophobicContact CD2-CD1 4.49Å; L478-F497 HydrophobicContact CD2-CE1 4.25Å; P493-F497 PolarHBondContact O-N 2.87Å; L494-F497 WeakPolarHBondContact O-CB 3.32Å; L494-F497 PolarHBondContact O-N 3.34Å; L494-F497 VanDerWaalsContact O-N 3.17Å; F497-R499 PolarHBondContact O-N 3.18Å; F497-Q500 PolarHBondContact O-N 3.34Å; F497-F501 HydrophobicContact CZ-CD2 4.46Å; F497-F501 WeakPolarHBondContact O-CB 3.42Å; F497-F501 PolarHBondContact O-N 2.95Å
498C97.9Very high95.4Very high0 Ų065.8 Ų65.80%030%0.301CS..Hα-helixtrans-60.3-43.1179.1-65.90000112.1L494 Q495 F501 F502 I531 C535L494-C498 PolarHBondContact O-N 2.91Å; L494-C498 PolarHBondContact O-SG 3.15Å; L494-C498 VanDerWaalsContact O-SG 3.37Å; Q495-C498 PolarHBondContact O-N 3.09Å; C498-F501 PolarHBondContact O-N 2.97Å; C498-F502 HydrophobicContact CB-CD2 4.48Å; C498-F502 WeakPolarHBondContact O-CB 3.48Å; C498-F502 VanDerWaalsContact O-CD2 3.28Å; C498-F502 WeakPolarHBondContact O-CD2 3.44Å; C498-F502 PolarHBondContact O-N 3.41Å; C498-I531 HydrophobicContact CB-CG2 4.3Å; C498-C535 HydrophobicContact CB-CB 4.49Å; C498-C535 WeakPolarHBondContact CB-SG 3.44Å
499R98Very high95.6Very high60 Ų6061 Ų6123%0.22628%0.283CS..Hα-helixtrans-57.5-51.6173.9-72.6-172-55.9-93.3-0.3111.2Q495 N496 F497 F501 F502 H503 L532 C535 D537Q495-R499 WeakPolarHBondContact O-CG 3.42Å; Q495-R499 PolarHBondContact O-N 2.78Å; N496-R499 VanDerWaalsContact CA-NH2 3.29Å; N496-R499 VanDerWaalsContact CB-NH2 3.35Å; N496-R499 PolarHBondContact O-N 3.13Å; N496-R499 PolarHBondContact OD1-NH2 3.4Å; F497-R499 PolarHBondContact O-N 3.18Å; R499-F501 VanDerWaalsContact C-N 3.25Å; R499-F501 PolarHBondContact O-N 3.2Å; R499-F502 PolarHBondContact O-N 3.33Å; R499-H503 WeakPolarHBondContact O-CB 3.49Å; R499-H503 PolarHBondContact O-N 3.13Å; R499-L532 HydrophobicContact CB-CD2 4.4Å; R499-L532 HydrophobicContact CG-CD2 4.21Å; R499-C535 HydrophobicContact CG-CB 3.89Å; R499-C535 PolarHBondContact NH1-O 2.73Å; R499-D537 HydrophobicContact CG-CB 4.29Å
500Q96.4Very high95.5Very high136 Ų13654.8 Ų54.864%0.63626%0.255SS*.Hα-helixtrans-60.7-35.8179.6-70.4-179.88.700112.9N496 F497N496-Q500 PolarHBondContact ND2-NE2 3.15Å; N496-Q500 WeakPolarHBondContact O-CG 3.46Å; N496-Q500 PolarHBondContact O-N 3.1Å; F497-Q500 PolarHBondContact O-N 3.34Å
501F97.3Very high95.6Very high7 Ų753.1 Ų53.13%0.03125%0.246CC..Hα-helixtrans-68-46.1177.9-169.6-91.5000111.7L459 L471 I474 F497 C498 R499 H504L459-F501 HydrophobicContact CB-CE2 4.36Å; L459-F501 WeakPolarHBondContact O-CE2 3.26Å; L471-F501 HydrophobicContact CD2-CE1 3.84Å; L471-F501 HydrophobicContact CD2-CZ 4.26Å; I474-F501 HydrophobicContact CD1-CZ 4.13Å; I474-F501 HydrophobicContact CG2-CE1 3.95Å; I474-F501 HydrophobicContact CG2-CZ 4.15Å; F497-F501 HydrophobicContact CZ-CD2 4.46Å; F497-F501 WeakPolarHBondContact O-CB 3.42Å; F497-F501 PolarHBondContact O-N 2.95Å; C498-F501 PolarHBondContact O-N 2.97Å; R499-F501 VanDerWaalsContact C-N 3.25Å; R499-F501 PolarHBondContact O-N 3.2Å; F501-H504 PolarHBondContact O-CE1 2.91Å; F501-H504 PolarHBondContact O-ND1 3.1Å
502F97.3Very high95.4Very high0 Ų058.2 Ų58.20%027%0.27CS..Hα-helixtrans-96-16.1-170.2-73.8-65.1000115.7L471 I474 A475 L478 C498 R499 H504 L505 S506 V528 I531 L532L471-F502 HydrophobicContact CD2-CE1 4.37Å; I474-F502 HydrophobicContact CG2-CZ 4.41Å; A475-F502 HydrophobicContact CB-CZ 4.46Å; L478-F502 HydrophobicContact CD1-CE2 3.62Å; L478-F502 HydrophobicContact CD1-CZ 4.01Å; C498-F502 HydrophobicContact CB-CD2 4.48Å; C498-F502 WeakPolarHBondContact O-CB 3.48Å; C498-F502 VanDerWaalsContact O-CD2 3.28Å; C498-F502 WeakPolarHBondContact O-CD2 3.44Å; C498-F502 PolarHBondContact O-N 3.41Å; R499-F502 PolarHBondContact O-N 3.33Å; F502-H504 VanDerWaalsContact C-N 3.27Å; F502-H504 PolarHBondContact O-N 2.89Å; F502-L505 HydrophobicContact CD1-CD1 4.12Å; F502-L505 PolarHBondContact O-N 3.11Å; F502-L505 VanDerWaalsContact O-N 3.1Å; F502-S506 PolarHBondContact O-N 3.18Å; F502-S506 VanDerWaalsContact O-N 3.17Å; F502-V528 HydrophobicContact CB-CG1 4.03Å; F502-V528 HydrophobicContact CD1-CB 4.43Å; F502-V528 HydrophobicContact CD1-CG1 4.12Å; F502-V528 HydrophobicContact CD1-CG2 3.74Å; F502-V528 HydrophobicContact CE1-CG2 4.06Å; F502-V528 HydrophobicContact CG-CG1 4.38Å; F502-I531 HydrophobicContact CD2-CG2 3.74Å; F502-I531 HydrophobicContact CE2-CD1 4.02Å; F502-I531 HydrophobicContact CE2-CG2 3.82Å; F502-I531 HydrophobicContact CZ-CD1 4.09Å; F502-L532 HydrophobicContact CB-CD1 4.3Å; F502-L532 HydrophobicContact CB-CD2 3.85Å; F502-L532 HydrophobicContact CB-CG 4.03Å
503H93.2Very high94.9Very high41 Ų4155.8 Ų55.819%0.1926%0.261CS..Hα-helixtrans-62.1-30.9-172.3-162.850.5000114.6R499 L505 S506 R507 D537 D539R499-H503 WeakPolarHBondContact O-CB 3.49Å; R499-H503 PolarHBondContact O-N 3.13Å; H503-L505 VanDerWaalsContact C-N 3.35Å; H503-S506 PolarHBondContact O-OG 3.17Å; H503-R507 PolarHBondContact CD2-NE 3.36Å; H503-R507 VanDerWaalsContact NE2-CZ 3.27Å; H503-R507 PolarHBondContact NE2-NE 3.28Å; H503-R507 VanDerWaalsContact NE2-NE 3.11Å; H503-R507 PolarHBondContact NE2-NH2 2.55Å; H503-R507 WeakPolarHBondContact O-CB 3.39Å; H503-R507 WeakPolarHBondContact O-CG 3.39Å; H503-R507 PolarHBondContact O-N 3.21Å; H503-R507 VanDerWaalsContact O-N 3.17Å; H503-D537 IonicContact CE1-OD2 3.52Å; H503-D537 IonicContact ND1-OD2 3.43Å; H503-D539 IonicContact CE1-OD2 3.6Å
504H93.7Very high94.4Very high70 Ų7056.7 Ų56.732%0.32426%0.258SS..Hα-helixtrans-69.3-36.3178.273-80.1000111.6K463 F501 F502 K508K463-H504 PolarHBondContact O-CE1 2.88Å; K463-H504 PolarHBondContact O-NE2 2.71Å; F501-H504 PolarHBondContact O-CE1 2.91Å; F501-H504 PolarHBondContact O-ND1 3.1Å; F502-H504 VanDerWaalsContact C-N 3.27Å; F502-H504 PolarHBondContact O-N 2.89Å; H504-K508 WeakPolarHBondContact O-CB 3.3Å; H504-K508 PolarHBondContact O-N 2.87Å
505L94.9Very high93.5Very high0 Ų062.2 Ų62.20%030%0.298CS..Hα-helixtrans-69.8-43.6176.9-61.1174.4000111.4E466 L471 F502 H503 R507 K508 W509 V528E466-L505 HydrophobicContact CG-CD2 4.12Å; L471-L505 HydrophobicContact CD1-CD1 3.59Å; L471-L505 HydrophobicContact CD2-CD1 4.22Å; F502-L505 HydrophobicContact CD1-CD1 4.12Å; F502-L505 PolarHBondContact O-N 3.11Å; F502-L505 VanDerWaalsContact O-N 3.1Å; H503-L505 VanDerWaalsContact C-N 3.35Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.03Å; L505-K508 PolarHBondContact O-N 3.46Å; L505-W509 HydrophobicContact CB-CE3 4.15Å; L505-W509 HydrophobicContact CB-CH2 3.94Å; L505-W509 HydrophobicContact CB-CZ2 4.44Å; L505-W509 HydrophobicContact CB-CZ3 3.82Å; L505-W509 HydrophobicContact CD1-CH2 3.99Å; L505-W509 HydrophobicContact CD1-CZ3 4.38Å; L505-W509 HydrophobicContact CD2-CH2 3.87Å; L505-W509 HydrophobicContact CD2-CZ2 3.84Å; L505-W509 HydrophobicContact CG-CH2 4.14Å; L505-W509 HydrophobicContact CG-CZ3 4.48Å; L505-W509 PolarHBondContact O-N 3.38Å; L505-V528 HydrophobicContact CB-CG1 4.34Å; L505-V528 HydrophobicContact CD1-CG2 4.35Å
506S94.2Very high92.8Very high8 Ų870.5 Ų70.56%0.05634%0.336CS..Hα-helixtrans-61.8-40.6177.464.50000112.1F502 H503 G510 L532F502-S506 PolarHBondContact O-N 3.18Å; F502-S506 VanDerWaalsContact O-N 3.17Å; H503-S506 PolarHBondContact O-OG 3.17Å; S506-G510 WeakPolarHBondContact O-CA 3.46Å; S506-G510 PolarHBondContact O-N 3.3Å; S506-L532 WeakPolarHBondContact OG-CD1 3.36Å
507R92.4Very high92.3Very high177 Ų17769 Ų6967%0.66833%0.328SS*.Hα-helixtrans-66.1-37.8174.7-74.1178.7173.4-168.7-4.2112.8H503 L505H503-R507 PolarHBondContact CD2-NE 3.36Å; H503-R507 VanDerWaalsContact NE2-CZ 3.27Å; H503-R507 PolarHBondContact NE2-NE 3.28Å; H503-R507 VanDerWaalsContact NE2-NE 3.11Å; H503-R507 PolarHBondContact NE2-NH2 2.55Å; H503-R507 WeakPolarHBondContact O-CB 3.39Å; H503-R507 WeakPolarHBondContact O-CG 3.39Å; H503-R507 PolarHBondContact O-N 3.21Å; H503-R507 VanDerWaalsContact O-N 3.17Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.03Å
508K92.6Very high92Very high111 Ų11174 Ų7448%0.48335%0.349SS..Hα-helixtrans-68.9-46.1-179.7-179.5172.3172.4173.30112.2E466 H504 L505E466-K508 IonicContact OE1-NZ 2.88Å; E466-K508 PolarHBondContact OE1-NZ 3.47Å; E466-K508 IonicContact OE2-NZ 3.55Å; E466-K508 PolarHBondContact OE2-NZ 3.4Å; H504-K508 WeakPolarHBondContact O-CB 3.3Å; H504-K508 PolarHBondContact O-N 2.87Å; L505-K508 PolarHBondContact O-N 3.46Å
509W92.5Very high91.7Very high14 Ų1475.1 Ų75.15%0.05335%0.354CS..Hα-helixtrans-91.9-19.6-174.6-57.8-35.5000114.5L471 L505 V521 L524 R525 V528L471-W509 HydrophobicContact CD1-CH2 4.36Å; L505-W509 HydrophobicContact CB-CE3 4.15Å; L505-W509 HydrophobicContact CB-CH2 3.94Å; L505-W509 HydrophobicContact CB-CZ2 4.44Å; L505-W509 HydrophobicContact CB-CZ3 3.82Å; L505-W509 HydrophobicContact CD1-CH2 3.99Å; L505-W509 HydrophobicContact CD1-CZ3 4.38Å; L505-W509 HydrophobicContact CD2-CH2 3.87Å; L505-W509 HydrophobicContact CD2-CZ2 3.84Å; L505-W509 HydrophobicContact CG-CH2 4.14Å; L505-W509 HydrophobicContact CG-CZ3 4.48Å; L505-W509 PolarHBondContact O-N 3.38Å; W509-V521 HydrophobicContact CD2-CG1 3.9Å; W509-V521 HydrophobicContact CG-CG1 3.81Å; W509-L524 HydrophobicContact CH2-CB 4.14Å; W509-L524 HydrophobicContact CH2-CD2 3.31Å; W509-L524 HydrophobicContact CH2-CG 3.6Å; W509-L524 HydrophobicContact CZ2-CD2 4.07Å; W509-L524 HydrophobicContact CZ3-CB 4.05Å; W509-L524 HydrophobicContact CZ3-CD2 3.99Å; W509-L524 HydrophobicContact CZ3-CG 3.72Å; W509-R525 HydrophobicContact CB-CG 4.44Å; W509-R525 HydrophobicContact CE3-CB 4.27Å; W509-R525 PolarHBondContact O-NE 3.19Å; W509-R525 PolarHBondContact O-NH2 3.04Å; W509-V528 HydrophobicContact CZ3-CB 4.37Å; W509-V528 HydrophobicContact CZ3-CG2 3.88Å
510G92.8Very high91.5Very high21 Ų2172.9 Ų72.922%0.21635%0.348CS..THydrogen-bonded Turntrans55-152.3176.900000114.5S506 R525 M529S506-G510 WeakPolarHBondContact O-CA 3.46Å; S506-G510 PolarHBondContact O-N 3.3Å; G510-R525 WeakPolarHBondContact O-CD 3.47Å; G510-R525 PolarHBondContact O-NE 2.95Å; G510-R525 VanDerWaalsContact O-NE 3.13Å; G510-M529 WeakPolarHBondContact O-CE 3.46Å
511W94.8Very high91.4Very high53 Ų5367.5 Ų67.520%0.20132%0.324CS..THydrogen-bonded Turntrans-11410.6-174-65.387.4000113.6M529 V540 T543 A544 L547 L559 L562 M565 I566W511-M529 HydrophobicContact CZ2-SD 4.04Å; W511-V540 HydrophobicContact CH2-CG1 4.06Å; W511-V540 HydrophobicContact CZ2-CB 4.35Å; W511-V540 HydrophobicContact CZ2-CG1 3.93Å; W511-T543 HydrophobicContact CD2-CG2 3.7Å; W511-T543 VanDerWaalsContact CE2-CG2 3.45Å; W511-T543 HydrophobicContact CE3-CG2 4.39Å; W511-T543 HydrophobicContact CG-CG2 3.85Å; W511-T543 HydrophobicContact CZ2-CG2 3.98Å; W511-A544 HydrophobicContact CH2-CB 3.89Å; W511-A544 HydrophobicContact CZ3-CB 4.33Å; W511-L547 HydrophobicContact CB-CD1 4.34Å; W511-L547 HydrophobicContact CD2-CD1 3.92Å; W511-L547 HydrophobicContact CE3-CD1 3.31Å; W511-L547 HydrophobicContact CG-CD1 4.36Å; W511-L547 HydrophobicContact CZ3-CD1 3.88Å; W511-L559 WeakPolarHBondContact O-CD1 3.34Å; W511-L562 HydrophobicContact CE3-CD1 3.92Å; W511-M565 HydrophobicContact CE3-CE 4.42Å; W511-M565 HydrophobicContact CH2-CE 3.69Å; W511-M565 HydrophobicContact CH2-SD 4.24Å; W511-M565 HydrophobicContact CZ3-CE 3.44Å; W511-M565 VanDerWaalsContact CZ3-CE 3.44Å; W511-M565 HydrophobicContact CZ3-SD 4.4Å; W511-I566 HydrophobicContact CZ3-CD1 4.28Å; W511-I566 HydrophobicContact CZ3-CG1 4.01Å
512Q90.7Very high91.2Very high147 Ų14767.3 Ų67.369%0.68732%0.323SS*.SBendtrans-123.4150.6-178.2-64.6-175.31.900109.8R525Q512-R525 PolarHBondContact O-NH2 3.3Å
513Q86.3Confident91.1Very high116 Ų11668 Ų6854%0.54233%0.327SS..  trans-82.2133172.5-173.5176.711.900109.2L559Q513-L559 HydrophobicContact CB-CD1 4.3Å; Q513-L559 HydrophobicContact CB-CD2 4.11Å
514H86.1Confident91.1Very high98 Ų9866.1 Ų66.145%0.45432%0.318SS..  trans-94.8150174.6-59.4-74.3000111E516 E517H514-E516 VanDerWaalsContact C-N 3.26Å; H514-E516 PolarHBondContact O-N 3Å; H514-E517 HydrophobicContact CB-CB 4.25Å; H514-E517 IonicContact CD2-OE2 2.68Å; H514-E517 VanDerWaalsContact O-CB 3.26Å; H514-E517 WeakPolarHBondContact O-CB 3.24Å; H514-E517 PolarHBondContact O-N 3.23Å
515S79.1Confident91.2Very high129 Ų12963 Ų6390%0.90230%0.303SS*.THydrogen-bonded Turntrans-65.4-25.1-174.250.20000114.5
516E83.8Confident91.2Very high188 Ų18864.2 Ų64.288%0.87931%0.312SS*.THydrogen-bonded Turntrans-112.421.4179.5-61.3-176.8176.400111.8H514 K518H514-E516 VanDerWaalsContact C-N 3.26Å; H514-E516 PolarHBondContact O-N 3Å; E516-K518 PolarHBondContact O-N 3.05Å
517E87.3Confident91.3Very high36 Ų3666.4 Ų66.417%0.16832%0.322CS..  trans-70130.6179.7-175.1164.2114.900111.5H514 V521 S522 R525H514-E517 HydrophobicContact CB-CB 4.25Å; H514-E517 IonicContact CD2-OE2 2.68Å; H514-E517 VanDerWaalsContact O-CB 3.26Å; H514-E517 WeakPolarHBondContact O-CB 3.24Å; H514-E517 PolarHBondContact O-N 3.23Å; E517-V521 HydrophobicContact CG-CB 3.7Å; E517-V521 HydrophobicContact CG-CG1 3.71Å; E517-S522 WeakPolarHBondContact OE1-CA 3.42Å; E517-S522 WeakPolarHBondContact OE1-CB 3.42Å; E517-S522 PolarHBondContact OE1-N 3.01Å; E517-S522 PolarHBondContact OE1-OG 3.17Å; E517-R525 VanDerWaalsContact CD-NH2 3.32Å; E517-R525 IonicContact OE1-CZ 3.83Å; E517-R525 IonicContact OE1-NH1 3.29Å; E517-R525 PolarHBondContact OE1-NH1 3.35Å; E517-R525 IonicContact OE1-NH2 2.98Å; E517-R525 PolarHBondContact OE1-NH2 3.39Å; E517-R525 IonicContact OE2-CZ 3.48Å; E517-R525 IonicContact OE2-NH1 3.94Å; E517-R525 IonicContact OE2-NH2 3.93Å; E517-R525 PolarHBondContact OE2-NH2 3.35Å
518K90.2Very high91.5Very high143 Ų14358 Ų5862%0.62229%0.291SS*.  trans-62.5139.7170.5-64.2-175177.1-173.40109.9E516 T520 V521 S522E516-K518 PolarHBondContact O-N 3.05Å; K518-T520 PolarHBondContact O-N 2.95Å; K518-T520 VanDerWaalsContact O-N 3.1Å; K518-V521 HydrophobicContact CB-CG2 4.1Å; K518-V521 WeakPolarHBondContact O-CB 3.09Å; K518-V521 PolarHBondContact O-N 2.97Å; K518-S522 PolarHBondContact O-N 3.39Å
519H92.2Very high91.7Very high22 Ų2252.8 Ų52.810%0.10227%0.268CS..Hα-helixtrans-43.5-46.3173176.294.3000112.7T91 Q95 E143 Y144 V521 S522 M523T91-H519 HydrophobicContact CG2-CB 4.49Å; T91-H519 WeakPolarHBondContact CG2-CE1 3.24Å; T91-H519 WeakPolarHBondContact CG2-ND1 3.06Å; Q95-H519 PolarHBondContact OE1-NE2 3.24Å; E143-H519 WeakPolarHBondContact O-CB 3.33Å; Y144-H519 HydrophobicContact CD1-CB 4.09Å; Y144-H519 AromaticContact CD1-CD2 3.75Å; Y144-H519 AromaticContact CD1-CE1 3.22Å; Y144-H519 WeakPolarHBondContact CD1-CE1 3.32Å; Y144-H519 AromaticContact CD1-CG 3.44Å; Y144-H519 VanDerWaalsContact CD1-CG 3.44Å; Y144-H519 AromaticContact CD1-ND1 3.11Å; Y144-H519 WeakPolarHBondContact CD1-ND1 3.47Å; Y144-H519 AromaticContact CD1-NE2 3.62Å; Y144-H519 AromaticContact CE1-CE1 3.32Å; Y144-H519 WeakPolarHBondContact CE1-CE1 3.46Å; Y144-H519 AromaticContact CE1-CG 3.97Å; Y144-H519 AromaticContact CE1-ND1 3.17Å; Y144-H519 WeakPolarHBondContact CE1-ND1 3.34Å; Y144-H519 AromaticContact CG-CD2 3.97Å; Y144-H519 AromaticContact CG-CE1 3.61Å; Y144-H519 AromaticContact CG-ND1 3.94Å; Y144-H519 AromaticContact CG-NE2 3.64Å; Y144-H519 AromaticContact CZ-CE1 3.76Å; H519-V521 VanDerWaalsContact C-N 3.33Å; H519-V521 PolarHBondContact O-N 3.32Å; H519-S522 PolarHBondContact O-N 2.98Å; H519-M523 PolarHBondContact NE2-SD 3.42Å; H519-M523 VanDerWaalsContact NE2-SD 3.42Å; H519-M523 PolarHBondContact O-N 3.44Å
520T93.8Very high91.8Very high14 Ų1453 Ų539%0.08627%0.271CS..Hα-helixtrans-66.7-28.5-17955.10000114Y144 D145 F468 K518 M523 L524Y144-T520 WeakPolarHBondContact O-CG2 2.94Å; D145-T520 HydrophobicContact CB-CG2 4.06Å; F468-T520 HydrophobicContact CB-CG2 4.11Å; F468-T520 WeakPolarHBondContact CD2-O 3.45Å; F468-T520 HydrophobicContact CG-CG2 4.2Å; K518-T520 PolarHBondContact O-N 2.95Å; K518-T520 VanDerWaalsContact O-N 3.1Å; T520-M523 PolarHBondContact O-N 3.15Å; T520-L524 VanDerWaalsContact O-CB 3.28Å; T520-L524 WeakPolarHBondContact O-CB 3.4Å; T520-L524 PolarHBondContact O-N 2.94Å
521V94.3Very high92Very high23 Ų2352 Ų5214%0.13926%0.26CS..Hα-helixtrans-68.8-38.3175.7170.70000110.8W509 E517 K518 H519 M523 L524 R525W509-V521 HydrophobicContact CD2-CG1 3.9Å; W509-V521 HydrophobicContact CG-CG1 3.81Å; E517-V521 HydrophobicContact CG-CB 3.7Å; E517-V521 HydrophobicContact CG-CG1 3.71Å; K518-V521 HydrophobicContact CB-CG2 4.1Å; K518-V521 WeakPolarHBondContact O-CB 3.09Å; K518-V521 PolarHBondContact O-N 2.97Å; H519-V521 VanDerWaalsContact C-N 3.33Å; H519-V521 PolarHBondContact O-N 3.32Å; V521-M523 VanDerWaalsContact C-N 3.33Å; V521-M523 PolarHBondContact O-N 3.28Å; V521-L524 PolarHBondContact O-N 3.38Å; V521-R525 WeakPolarHBondContact O-CB 3.38Å; V521-R525 PolarHBondContact O-N 2.95Å
522S93Very high92.2Very high3 Ų349.5 Ų49.52%0.02125%0.251CS..Hα-helixtrans-61.5-43.3176.8-52.60000111.4E517 K518 H519E517-S522 WeakPolarHBondContact OE1-CA 3.42Å; E517-S522 WeakPolarHBondContact OE1-CB 3.42Å; E517-S522 PolarHBondContact OE1-N 3.01Å; E517-S522 PolarHBondContact OE1-OG 3.17Å; K518-S522 PolarHBondContact O-N 3.39Å; H519-S522 PolarHBondContact O-N 2.98Å
523M94.3Very high92.5Very high14 Ų1442.6 Ų42.67%0.06922%0.218CC..Hα-helixtrans-64.5-46.3175.2-62.3172.760.500111.5T91 Q95 F468 H519 T520 V521 R525 S526 I527T91-M523 HydrophobicContact CG2-CG 3.96Å; T91-M523 HydrophobicContact CG2-SD 4.41Å; Q95-M523 PolarHBondContact OE1-SD 3.39Å; F468-M523 HydrophobicContact CD2-CB 4.26Å; F468-M523 HydrophobicContact CE1-CE 4.46Å; F468-M523 HydrophobicContact CE2-CB 3.65Å; F468-M523 HydrophobicContact CE2-CE 4.01Å; F468-M523 HydrophobicContact CZ-CB 4.46Å; F468-M523 HydrophobicContact CZ-CE 3.67Å; H519-M523 PolarHBondContact NE2-SD 3.42Å; H519-M523 VanDerWaalsContact NE2-SD 3.42Å; H519-M523 PolarHBondContact O-N 3.44Å; T520-M523 PolarHBondContact O-N 3.15Å; V521-M523 VanDerWaalsContact C-N 3.33Å; V521-M523 PolarHBondContact O-N 3.28Å; M523-R525 PolarHBondContact O-N 3.24Å; M523-S526 WeakPolarHBondContact O-CB 3.17Å; M523-S526 PolarHBondContact O-N 3.01Å; M523-I527 PolarHBondContact O-N 3.37Å
524L94.9Very high92.9Very high2 Ų237.9 Ų37.91%0.0120%0.196CC..Hα-helixtrans-66-37.6-177.1-162.250.2000113F468 L471 W509 T520 V521 S526 I527 V528F468-L524 HydrophobicContact CB-CD2 4.44Å; F468-L524 HydrophobicContact CD2-CB 4Å; F468-L524 HydrophobicContact CD2-CD1 4.18Å; F468-L524 HydrophobicContact CD2-CG 4.5Å; L471-L524 HydrophobicContact CB-CD1 3.79Å; L471-L524 HydrophobicContact CB-CD2 4.06Å; L471-L524 HydrophobicContact CB-CG 4.46Å; L471-L524 HydrophobicContact CD1-CD2 3.65Å; L471-L524 HydrophobicContact CD1-CG 4.48Å; L471-L524 HydrophobicContact CG-CD2 4.49Å; W509-L524 HydrophobicContact CH2-CB 4.14Å; W509-L524 HydrophobicContact CH2-CD2 3.31Å; W509-L524 HydrophobicContact CH2-CG 3.6Å; W509-L524 HydrophobicContact CZ2-CD2 4.07Å; W509-L524 HydrophobicContact CZ3-CB 4.05Å; W509-L524 HydrophobicContact CZ3-CD2 3.99Å; W509-L524 HydrophobicContact CZ3-CG 3.72Å; T520-L524 VanDerWaalsContact O-CB 3.28Å; T520-L524 WeakPolarHBondContact O-CB 3.4Å; T520-L524 PolarHBondContact O-N 2.94Å; V521-L524 PolarHBondContact O-N 3.38Å; L524-S526 PolarHBondContact O-N 2.88Å; L524-I527 PolarHBondContact O-N 2.91Å; L524-I527 VanDerWaalsContact O-N 3.12Å; L524-V528 HydrophobicContact CD1-CG2 4.43Å; L524-V528 HydrophobicContact CG-CG2 4.28Å; L524-V528 WeakPolarHBondContact O-CG2 3.49Å; L524-V528 PolarHBondContact O-N 3.05Å
525R95.6Very high93.4Very high4 Ų433.2 Ų33.22%0.01517%0.174CC..Hα-helixtrans-53.6-46176.2-175.8-165.3-76.8112.92110.5W509 G510 Q512 E517 V521 M523 I527 V528 M529 L562W509-R525 HydrophobicContact CB-CG 4.44Å; W509-R525 HydrophobicContact CE3-CB 4.27Å; W509-R525 PolarHBondContact O-NE 3.19Å; W509-R525 PolarHBondContact O-NH2 3.04Å; G510-R525 WeakPolarHBondContact O-CD 3.47Å; G510-R525 PolarHBondContact O-NE 2.95Å; G510-R525 VanDerWaalsContact O-NE 3.13Å; Q512-R525 PolarHBondContact O-NH2 3.3Å; E517-R525 VanDerWaalsContact CD-NH2 3.32Å; E517-R525 IonicContact OE1-CZ 3.83Å; E517-R525 IonicContact OE1-NH1 3.29Å; E517-R525 PolarHBondContact OE1-NH1 3.35Å; E517-R525 IonicContact OE1-NH2 2.98Å; E517-R525 PolarHBondContact OE1-NH2 3.39Å; E517-R525 IonicContact OE2-CZ 3.48Å; E517-R525 IonicContact OE2-NH1 3.94Å; E517-R525 IonicContact OE2-NH2 3.93Å; E517-R525 PolarHBondContact OE2-NH2 3.35Å; V521-R525 WeakPolarHBondContact O-CB 3.38Å; V521-R525 PolarHBondContact O-N 2.95Å; M523-R525 PolarHBondContact O-N 3.24Å; R525-I527 PolarHBondContact O-N 3.19Å; R525-V528 PolarHBondContact O-N 3.19Å; R525-M529 HydrophobicContact CG-CE 4.29Å; R525-M529 HydrophobicContact CG-CG 4.26Å; R525-M529 WeakPolarHBondContact O-CB 3.22Å; R525-M529 WeakPolarHBondContact O-CG 3.42Å; R525-M529 PolarHBondContact O-N 3.04Å; R525-L562 HydrophobicContact CG-CD2 3.95Å
526S94.4Very high94.2Very high25 Ų2532.5 Ų32.518%0.17515%0.152CC..Hα-helixtrans-60.6-44.8178.9-162.20000112.1M523 L524 D530 D561M523-S526 WeakPolarHBondContact O-CB 3.17Å; M523-S526 PolarHBondContact O-N 3.01Å; L524-S526 PolarHBondContact O-N 2.88Å; S526-D530 PolarHBondContact O-N 3.14Å; S526-D561 WeakPolarHBondContact CB-O 3.35Å; S526-D561 PolarHBondContact OG-O 3.34Å
527I95.4Very high94.9Very high54 Ų5424.2 Ų24.228%0.27711%0.113SC..Hα-helixtrans-62.7-49.1178.9-63.4171.5000111F468 A475 M523 L524 R525 D530 I531F468-I527 HydrophobicContact CE2-CD1 4.19Å; A475-I527 HydrophobicContact CB-CG2 3.52Å; M523-I527 PolarHBondContact O-N 3.37Å; L524-I527 PolarHBondContact O-N 2.91Å; L524-I527 VanDerWaalsContact O-N 3.12Å; R525-I527 PolarHBondContact O-N 3.19Å; I527-D530 PolarHBondContact O-N 3.37Å; I527-I531 HydrophobicContact CG2-CD1 4.4Å; I527-I531 PolarHBondContact O-N 3.08Å; I527-I531 VanDerWaalsContact O-N 3.08Å
528V96.6Very high95.4Very high1 Ų127.7 Ų27.71%0.00613%0.129CC..Hα-helixtrans-62.2-45.8-178.7166.10000111.1F502 L505 W509 L524 R525 I531 L532F502-V528 HydrophobicContact CB-CG1 4.03Å; F502-V528 HydrophobicContact CD1-CB 4.43Å; F502-V528 HydrophobicContact CD1-CG1 4.12Å; F502-V528 HydrophobicContact CD1-CG2 3.74Å; F502-V528 HydrophobicContact CE1-CG2 4.06Å; F502-V528 HydrophobicContact CG-CG1 4.38Å; L505-V528 HydrophobicContact CB-CG1 4.34Å; L505-V528 HydrophobicContact CD1-CG2 4.35Å; W509-V528 HydrophobicContact CZ3-CB 4.37Å; W509-V528 HydrophobicContact CZ3-CG2 3.88Å; L524-V528 HydrophobicContact CD1-CG2 4.43Å; L524-V528 HydrophobicContact CG-CG2 4.28Å; L524-V528 WeakPolarHBondContact O-CG2 3.49Å; L524-V528 PolarHBondContact O-N 3.05Å; R525-V528 PolarHBondContact O-N 3.19Å; V528-I531 PolarHBondContact O-N 3.26Å; V528-L532 HydrophobicContact CG1-CD1 4.04Å; V528-L532 WeakPolarHBondContact O-CG 3.47Å; V528-L532 PolarHBondContact O-N 2.85Å
529M96.7Very high95.6Very high1 Ų125.4 Ų25.41%0.00512%0.124CC..Hα-helixtrans-67.4-35.8179.1-63-65.9-172.600112.3G510 W511 R525 I531 L532 S533 V540 M565G510-M529 WeakPolarHBondContact O-CE 3.46Å; W511-M529 HydrophobicContact CZ2-SD 4.04Å; R525-M529 HydrophobicContact CG-CE 4.29Å; R525-M529 HydrophobicContact CG-CG 4.26Å; R525-M529 WeakPolarHBondContact O-CB 3.22Å; R525-M529 WeakPolarHBondContact O-CG 3.42Å; R525-M529 PolarHBondContact O-N 3.04Å; M529-I531 VanDerWaalsContact C-N 3.35Å; M529-I531 PolarHBondContact O-N 3.44Å; M529-L532 PolarHBondContact O-N 3.2Å; M529-S533 WeakPolarHBondContact O-CB 3.12Å; M529-S533 PolarHBondContact O-N 3.45Å; M529-V540 HydrophobicContact CB-CG1 4.49Å; M529-V540 HydrophobicContact SD-CG1 4.32Å; M529-V540 HydrophobicContact SD-CG2 4.03Å; M529-M565 HydrophobicContact CB-CE 3.25Å; M529-M565 HydrophobicContact CB-CG 4.1Å; M529-M565 HydrophobicContact CB-SD 3.79Å; M529-M565 HydrophobicContact CG-CE 3.94Å
530D95.7Very high95.9Very high20 Ų2024.6 Ų24.611%0.10712%0.121CC..Hα-helixtrans-63.5-41.2174.2-174.370.3000111.1S526 I527 R534 M565 K637S526-D530 PolarHBondContact O-N 3.14Å; I527-D530 PolarHBondContact O-N 3.37Å; D530-R534 WeakPolarHBondContact O-CB 3.37Å; D530-R534 VanDerWaalsContact O-CG 3.23Å; D530-R534 WeakPolarHBondContact O-CG 3.43Å; D530-R534 PolarHBondContact O-N 2.94Å; D530-M565 HydrophobicContact CB-CG 3.86Å; D530-K637 IonicContact OD1-NZ 3.42Å; D530-K637 PolarHBondContact OD1-NZ 3.24Å; D530-K637 IonicContact OD2-NZ 4Å; D530-K637 PolarHBondContact OD2-NZ 3.21Å
531I97Very high96.1Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-63.9-45.9176-71.6177.9000110.9A475 L482 C498 F502 I527 V528 M529 R534 C535A475-I531 HydrophobicContact CB-CD1 3.44Å; A475-I531 VanDerWaalsContact CB-CD1 3.44Å; L482-I531 HydrophobicContact CD1-CG2 4.37Å; C498-I531 HydrophobicContact CB-CG2 4.3Å; F502-I531 HydrophobicContact CD2-CG2 3.74Å; F502-I531 HydrophobicContact CE2-CD1 4.02Å; F502-I531 HydrophobicContact CE2-CG2 3.82Å; F502-I531 HydrophobicContact CZ-CD1 4.09Å; I527-I531 HydrophobicContact CG2-CD1 4.4Å; I527-I531 PolarHBondContact O-N 3.08Å; I527-I531 VanDerWaalsContact O-N 3.08Å; V528-I531 PolarHBondContact O-N 3.26Å; M529-I531 VanDerWaalsContact C-N 3.35Å; M529-I531 PolarHBondContact O-N 3.44Å; I531-R534 CarbonylContact O-C 3.41Å; I531-R534 PolarHBondContact O-N 3.3Å; I531-C535 WeakPolarHBondContact O-CB 3.45Å; I531-C535 PolarHBondContact O-N 3.27Å; I531-C535 PolarHBondContact O-SG 2.98Å
532L97.9Very high96.3Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-63.7-44.3179.7-73.1173.3000112R499 F502 S506 V528 M529 R534 C535 R536 D537 V540R499-L532 HydrophobicContact CB-CD2 4.4Å; R499-L532 HydrophobicContact CG-CD2 4.21Å; F502-L532 HydrophobicContact CB-CD1 4.3Å; F502-L532 HydrophobicContact CB-CD2 3.85Å; F502-L532 HydrophobicContact CB-CG 4.03Å; S506-L532 WeakPolarHBondContact OG-CD1 3.36Å; V528-L532 HydrophobicContact CG1-CD1 4.04Å; V528-L532 WeakPolarHBondContact O-CG 3.47Å; V528-L532 PolarHBondContact O-N 2.85Å; M529-L532 PolarHBondContact O-N 3.2Å; L532-R534 PolarHBondContact O-N 3.43Å; L532-C535 CarbonylContact O-C 3.54Å; L532-C535 WeakPolarHBondContact O-CA 3.44Å; L532-C535 PolarHBondContact O-N 2.91Å; L532-R536 PolarHBondContact O-N 3.45Å; L532-D537 HydrophobicContact CB-CB 3.96Å; L532-D537 HydrophobicContact CD2-CB 4.37Å; L532-D537 WeakPolarHBondContact O-CB 3.26Å; L532-D537 PolarHBondContact O-N 3.42Å; L532-V540 HydrophobicContact CB-CB 4.36Å; L532-V540 HydrophobicContact CB-CG1 4.33Å; L532-V540 HydrophobicContact CB-CG2 3.92Å; L532-V540 HydrophobicContact CD1-CG2 3.99Å
533S97.1Very high96.5Very high1 Ų129.5 Ų29.51%0.00715%0.147CC..Hα-helixtrans-55.5-50.5172.3173.50000110.5M529 C535 R536 S569 Y573M529-S533 WeakPolarHBondContact O-CB 3.12Å; M529-S533 PolarHBondContact O-N 3.45Å; S533-C535 PolarHBondContact O-N 2.9Å; S533-R536 WeakPolarHBondContact O-CA 3.43Å; S533-R536 PolarHBondContact O-N 3.28Å; S533-S569 WeakPolarHBondContact OG-CB 3.37Å; S533-S569 PolarHBondContact OG-OG 2.89Å; S533-Y573 PolarHBondContact O-OH 3.47Å
534R94.9Very high96.7Very high18 Ų1828.9 Ų28.97%0.06814%0.144CC..Hα-helixtrans-61.1-28.6175.9-74.5173.563.3-160.3-8.7114.1N479 N483 D530 I531 L532 R536N479-R534 PolarHBondContact OD1-NH1 3.01Å; N483-R534 PolarHBondContact OD1-NH2 2.83Å; D530-R534 WeakPolarHBondContact O-CB 3.37Å; D530-R534 VanDerWaalsContact O-CG 3.23Å; D530-R534 WeakPolarHBondContact O-CG 3.43Å; D530-R534 PolarHBondContact O-N 2.94Å; I531-R534 CarbonylContact O-C 3.41Å; I531-R534 PolarHBondContact O-N 3.3Å; L532-R534 PolarHBondContact O-N 3.43Å; R534-R536 PolarHBondContact O-N 2.65Å
535C97Very high96.8Very high0 Ų032 Ų320%016%0.161CC..THydrogen-bonded Turntrans-86.713.7174.8-63.70000112.8Q495 C498 R499 I531 L532 S533 D537Q495-C535 HydrophobicContact CB-CB 4.13Å; Q495-C535 HydrophobicContact CG-CB 4.36Å; C498-C535 HydrophobicContact CB-CB 4.49Å; C498-C535 WeakPolarHBondContact CB-SG 3.44Å; R499-C535 HydrophobicContact CG-CB 3.89Å; R499-C535 PolarHBondContact NH1-O 2.73Å; I531-C535 WeakPolarHBondContact O-CB 3.45Å; I531-C535 PolarHBondContact O-N 3.27Å; I531-C535 PolarHBondContact O-SG 2.98Å; L532-C535 CarbonylContact O-C 3.54Å; L532-C535 WeakPolarHBondContact O-CA 3.44Å; L532-C535 PolarHBondContact O-N 2.91Å; S533-C535 PolarHBondContact O-N 2.9Å; C535-D537 VanDerWaalsContact C-N 3.29Å; C535-D537 PolarHBondContact O-N 2.82Å
536R96.7Very high96.9Very high114 Ų11436.4 Ų36.443%0.4318%0.181SC..THydrogen-bonded Turntrans57.241177-55.6-176.6-177.7-77.2-7.7112.7L532 S533 R534 Q538 E606L532-R536 PolarHBondContact O-N 3.45Å; S533-R536 WeakPolarHBondContact O-CA 3.43Å; S533-R536 PolarHBondContact O-N 3.28Å; R534-R536 PolarHBondContact O-N 2.65Å; R536-Q538 PolarHBondContact O-N 3.18Å; R536-E606 IonicContact CZ-OE2 3.36Å; R536-E606 IonicContact NH1-OE2 3.95Å; R536-E606 IonicContact NH2-OE1 3.51Å; R536-E606 IonicContact NH2-OE2 3.71Å; R536-E606 PolarHBondContact NH2-OE2 3.18Å
537D97.8Very high97.1Very high13 Ų1336.8 Ų36.87%0.0718%0.181CC..  trans-74113.1169.2-167.1-75.7000109.6R499 H503 L532 C535 D539 V540 I541R499-D537 HydrophobicContact CG-CB 4.29Å; H503-D537 IonicContact CE1-OD2 3.52Å; H503-D537 IonicContact ND1-OD2 3.43Å; L532-D537 HydrophobicContact CB-CB 3.96Å; L532-D537 HydrophobicContact CD2-CB 4.37Å; L532-D537 WeakPolarHBondContact O-CB 3.26Å; L532-D537 PolarHBondContact O-N 3.42Å; C535-D537 VanDerWaalsContact C-N 3.29Å; C535-D537 PolarHBondContact O-N 2.82Å; D537-D539 PolarHBondContact OD1-N 3.28Å; D537-V540 HydrophobicContact CB-CB 4.21Å; D537-V540 HydrophobicContact CB-CG2 4.27Å; D537-V540 PolarHBondContact O-N 3.31Å; D537-V540 PolarHBondContact OD1-N 3.45Å; D537-I541 VanDerWaalsContact O-CG1 3.25Å; D537-I541 WeakPolarHBondContact O-CG1 3.25Å; D537-I541 PolarHBondContact O-N 3.25Å
538Q96.9Very high97.3Very high109 Ų10934.2 Ų34.251%0.50917%0.168SC..Hα-helixtrans-68-39.6-170.2-1656445.400112R536 V540 I541 D542R536-Q538 PolarHBondContact O-N 3.18Å; Q538-V540 VanDerWaalsContact C-N 3.27Å; Q538-V540 PolarHBondContact O-N 2.98Å; Q538-I541 PolarHBondContact O-N 3.41Å; Q538-D542 PolarHBondContact NE2-OD1 3.27Å; Q538-D542 WeakPolarHBondContact O-CB 3.43Å; Q538-D542 VanDerWaalsContact O-CG 3.26Å; Q538-D542 PolarHBondContact O-N 3.4Å
539D96.3Very high97.3Very high96 Ų9635.6 Ų35.651%0.51318%0.177SC..Hα-helixtrans-60.1-42179.2-63-13.5000110.4H503 D537 T543H503-D539 IonicContact CE1-OD2 3.6Å; D537-D539 PolarHBondContact OD1-N 3.28Å; D539-T543 WeakPolarHBondContact O-CB 3.48Å; D539-T543 PolarHBondContact O-N 2.87Å; D539-T543 VanDerWaalsContact O-N 3.15Å; D539-T543 PolarHBondContact O-OG1 3.16Å
540V97.6Very high97.4Very high5 Ų538.6 Ų38.63%0.0319%0.19CC..Hα-helixtrans-69.1-41.7177.71730000111.8W511 M529 L532 D537 Q538 A544W511-V540 HydrophobicContact CH2-CG1 4.06Å; W511-V540 HydrophobicContact CZ2-CB 4.35Å; W511-V540 HydrophobicContact CZ2-CG1 3.93Å; M529-V540 HydrophobicContact CB-CG1 4.49Å; M529-V540 HydrophobicContact SD-CG1 4.32Å; M529-V540 HydrophobicContact SD-CG2 4.03Å; L532-V540 HydrophobicContact CB-CB 4.36Å; L532-V540 HydrophobicContact CB-CG1 4.33Å; L532-V540 HydrophobicContact CB-CG2 3.92Å; L532-V540 HydrophobicContact CD1-CG2 3.99Å; D537-V540 HydrophobicContact CB-CB 4.21Å; D537-V540 HydrophobicContact CB-CG2 4.27Å; D537-V540 PolarHBondContact O-N 3.31Å; D537-V540 PolarHBondContact OD1-N 3.45Å; Q538-V540 VanDerWaalsContact C-N 3.27Å; Q538-V540 PolarHBondContact O-N 2.98Å; V540-A544 VanDerWaalsContact O-CB 3.26Å; V540-A544 WeakPolarHBondContact O-CB 3.33Å; V540-A544 PolarHBondContact O-N 3.34Å
541I98Very high97.4Very high18 Ų1839.9 Ų39.99%0.09220%0.196CC..Hα-helixtrans-63.9-49.8179.5-70.4167.4000110.7D537 Q538 T543 A544 D545 Y573D537-I541 VanDerWaalsContact O-CG1 3.25Å; D537-I541 WeakPolarHBondContact O-CG1 3.25Å; D537-I541 PolarHBondContact O-N 3.25Å; Q538-I541 PolarHBondContact O-N 3.41Å; I541-T543 VanDerWaalsContact C-N 3.33Å; I541-T543 PolarHBondContact O-N 3.22Å; I541-A544 PolarHBondContact O-N 3.44Å; I541-D545 PolarHBondContact O-N 3.46Å; I541-Y573 HydrophobicContact CD1-CD2 4.22Å; I541-Y573 HydrophobicContact CD1-CE1 4.46Å; I541-Y573 HydrophobicContact CD1-CE2 3.53Å; I541-Y573 HydrophobicContact CG1-CD2 4.16Å; I541-Y573 HydrophobicContact CG1-CE2 3.63Å; I541-Y573 HydrophobicContact CG2-CD2 3.9Å; I541-Y573 HydrophobicContact CG2-CE2 4.24Å
542D98.1Very high97.4Very high86 Ų8642.3 Ų42.346%0.4621%0.21SC..Hα-helixtrans-63.2-42.5-177.4-68-13.4000110.7Q538 D545 E546Q538-D542 PolarHBondContact NE2-OD1 3.27Å; Q538-D542 WeakPolarHBondContact O-CB 3.43Å; Q538-D542 VanDerWaalsContact O-CG 3.26Å; Q538-D542 PolarHBondContact O-N 3.4Å; D542-D545 PolarHBondContact O-N 2.86Å; D542-E546 WeakPolarHBondContact O-CB 3.45Å; D542-E546 PolarHBondContact O-N 3.27Å
543T97.7Very high97.3Very high39 Ų3947.6 Ų47.624%0.23924%0.235CC..Hα-helixtrans-66.9-40.7177.3-50.70000111.8W511 D539 I541 E546 L547W511-T543 HydrophobicContact CD2-CG2 3.7Å; W511-T543 VanDerWaalsContact CE2-CG2 3.45Å; W511-T543 HydrophobicContact CE3-CG2 4.39Å; W511-T543 HydrophobicContact CG-CG2 3.85Å; W511-T543 HydrophobicContact CZ2-CG2 3.98Å; D539-T543 WeakPolarHBondContact O-CB 3.48Å; D539-T543 PolarHBondContact O-N 2.87Å; D539-T543 VanDerWaalsContact O-N 3.15Å; D539-T543 PolarHBondContact O-OG1 3.16Å; I541-T543 VanDerWaalsContact C-N 3.33Å; I541-T543 PolarHBondContact O-N 3.22Å; T543-E546 PolarHBondContact O-N 2.97Å; T543-L547 HydrophobicContact CG2-CD1 4.23Å; T543-L547 HydrophobicContact CG2-CG 4.5Å; T543-L547 WeakPolarHBondContact O-CB 3.41Å; T543-L547 VanDerWaalsContact O-CG 3.29Å; T543-L547 WeakPolarHBondContact O-CG 3.35Å; T543-L547 PolarHBondContact O-N 3.32Å
544A98Very high97.2Very high0 Ų055.8 Ų55.80%027%0.267CS..Hα-helixtrans-62.7-42.7176.300000111.7W511 V540 I541 L547 F548W511-A544 HydrophobicContact CH2-CB 3.89Å; W511-A544 HydrophobicContact CZ3-CB 4.33Å; V540-A544 VanDerWaalsContact O-CB 3.26Å; V540-A544 WeakPolarHBondContact O-CB 3.33Å; V540-A544 PolarHBondContact O-N 3.34Å; I541-A544 PolarHBondContact O-N 3.44Å; A544-L547 PolarHBondContact O-N 2.83Å; A544-F548 WeakPolarHBondContact O-CB 3.36Å; A544-F548 PolarHBondContact O-N 3.44Å
545D98.1Very high97.1Very high69 Ų6957.7 Ų57.737%0.36929%0.292SS..Hα-helixtrans-65.3-42.9177.6-171.467.7000111.7I541 D542 L547 F548 C549I541-D545 PolarHBondContact O-N 3.46Å; D542-D545 PolarHBondContact O-N 2.86Å; D545-L547 PolarHBondContact O-N 3.49Å; D545-F548 PolarHBondContact O-N 2.91Å; D545-C549 WeakPolarHBondContact O-CB 3.44Å; D545-C549 PolarHBondContact O-N 3.47Å; D545-C549 PolarHBondContact O-SG 2.91Å
546E98Very high97Very high95 Ų9562.7 Ų62.744%0.44431%0.314SS..Hα-helixtrans-59.4-46.3175.2-174.1-171.7-178.300111.6D542 T543 C549 K550D542-E546 WeakPolarHBondContact O-CB 3.45Å; D542-E546 PolarHBondContact O-N 3.27Å; T543-E546 PolarHBondContact O-N 2.97Å; E546-C549 PolarHBondContact O-N 3.33Å; E546-K550 HydrophobicContact CG-CD 4.31Å; E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CG 3.31Å; E546-K550 PolarHBondContact O-N 3.45Å; E546-K550 VanDerWaalsContact OE1-CE 3.23Å; E546-K550 WeakPolarHBondContact OE1-CE 3.5Å; E546-K550 IonicContact OE1-NZ 3.59Å; E546-K550 PolarHBondContact OE1-NZ 3.34Å
547L98Very high96.8Very high33 Ų3362.6 Ų62.617%0.17333%0.328CS..Hα-helixtrans-64.8-41.6177.9-71173.7000111.8W511 T543 A544 D545 K550 H551 L558 I566W511-L547 HydrophobicContact CB-CD1 4.34Å; W511-L547 HydrophobicContact CD2-CD1 3.92Å; W511-L547 HydrophobicContact CE3-CD1 3.31Å; W511-L547 HydrophobicContact CG-CD1 4.36Å; W511-L547 HydrophobicContact CZ3-CD1 3.88Å; T543-L547 HydrophobicContact CG2-CD1 4.23Å; T543-L547 HydrophobicContact CG2-CG 4.5Å; T543-L547 WeakPolarHBondContact O-CB 3.41Å; T543-L547 VanDerWaalsContact O-CG 3.29Å; T543-L547 WeakPolarHBondContact O-CG 3.35Å; T543-L547 PolarHBondContact O-N 3.32Å; A544-L547 PolarHBondContact O-N 2.83Å; D545-L547 PolarHBondContact O-N 3.49Å; L547-K550 PolarHBondContact O-N 3.21Å; L547-H551 WeakPolarHBondContact O-CB 3.46Å; L547-H551 PolarHBondContact O-N 3Å; L547-L558 HydrophobicContact CB-CD2 4.07Å; L547-I566 HydrophobicContact CB-CD1 4.14Å; L547-I566 HydrophobicContact CD1-CD1 3.95Å
548F98.4Very high96.7Very high0 Ų062.9 Ų62.90%033%0.329CS..Hα-helixtrans-61.7-48.2175.4176.7-103.2000111.6A544 D545 K550 H551 V552 I566 F567 A570 T578 K581 I582 I585A544-F548 WeakPolarHBondContact O-CB 3.36Å; A544-F548 PolarHBondContact O-N 3.44Å; D545-F548 PolarHBondContact O-N 2.91Å; F548-K550 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.35Å; F548-H551 WeakPolarHBondContact O-CB 3.45Å; F548-H551 PolarHBondContact O-N 2.93Å; F548-H551 VanDerWaalsContact O-N 3.16Å; F548-V552 HydrophobicContact CD1-CG2 4.46Å; F548-V552 HydrophobicContact CD2-CG2 4.28Å; F548-V552 HydrophobicContact CE1-CG2 3.99Å; F548-V552 HydrophobicContact CE2-CG2 3.78Å; F548-V552 HydrophobicContact CZ-CG2 3.62Å; F548-V552 WeakPolarHBondContact O-CG2 3.48Å; F548-V552 PolarHBondContact O-N 3.02Å; F548-I566 HydrophobicContact CB-CG2 3.77Å; F548-I566 HydrophobicContact CD2-CG2 4.48Å; F548-F567 AromaticContact CD2-CD1 3.91Å; F548-F567 HydrophobicContact CD2-CD1 3.91Å; F548-F567 HydrophobicContact CD2-CE1 4.14Å; F548-F567 HydrophobicContact CE2-CD1 4.08Å; F548-F567 HydrophobicContact CE2-CE1 4.25Å; F548-A570 HydrophobicContact CB-CB 4.11Å; F548-A570 HydrophobicContact CD1-CB 3.77Å; F548-A570 HydrophobicContact CD2-CB 3.92Å; F548-A570 HydrophobicContact CE1-CB 4.16Å; F548-A570 HydrophobicContact CE2-CB 4.29Å; F548-A570 HydrophobicContact CG-CB 3.64Å; F548-A570 HydrophobicContact CZ-CB 4.4Å; F548-T578 HydrophobicContact CD1-CG2 4.4Å; F548-T578 HydrophobicContact CE1-CG2 3.66Å; F548-T578 HydrophobicContact CZ-CG2 3.97Å; F548-K581 HydrophobicContact CE1-CB 4.45Å; F548-K581 HydrophobicContact CE1-CD 4.18Å; F548-K581 HydrophobicContact CZ-CB 4.01Å; F548-I582 HydrophobicContact CE2-CD1 3.98Å; F548-I582 HydrophobicContact CE2-CG1 3.68Å; F548-I582 HydrophobicContact CZ-CD1 4.13Å; F548-I582 HydrophobicContact CZ-CG1 3.77Å; F548-I585 HydrophobicContact CE2-CD1 4.47Å
549C97.7Very high96.6Very high30 Ų3060 Ų6020%0.20332%0.317CS..Hα-helixtrans-59.8-45.8177.6-71.30000110.9D545 E546 H551 V552 E553D545-C549 WeakPolarHBondContact O-CB 3.44Å; D545-C549 PolarHBondContact O-N 3.47Å; D545-C549 PolarHBondContact O-SG 2.91Å; E546-C549 PolarHBondContact O-N 3.33Å; C549-H551 VanDerWaalsContact C-N 3.28Å; C549-H551 PolarHBondContact O-N 3.33Å; C549-V552 PolarHBondContact O-N 2.74Å; C549-E553 WeakPolarHBondContact O-CB 3.47Å; C549-E553 WeakPolarHBondContact O-CG 3.23Å; C549-E553 PolarHBondContact O-N 3.02Å
550K97.7Very high96.5Very high65 Ų6556.6 Ų56.628%0.28330%0.3SS..Hα-helixtrans-61.1-36.6176.5-74.2175.8-176.6171.80113.1E546 L547 F548 Y554 K556E546-K550 HydrophobicContact CG-CD 4.31Å; E546-K550 WeakPolarHBondContact O-CB 3.38Å; E546-K550 WeakPolarHBondContact O-CG 3.31Å; E546-K550 PolarHBondContact O-N 3.45Å; E546-K550 VanDerWaalsContact OE1-CE 3.23Å; E546-K550 WeakPolarHBondContact OE1-CE 3.5Å; E546-K550 IonicContact OE1-NZ 3.59Å; E546-K550 PolarHBondContact OE1-NZ 3.34Å; L547-K550 PolarHBondContact O-N 3.21Å; F548-K550 VanDerWaalsContact C-N 3.34Å; F548-K550 PolarHBondContact O-N 3.35Å; K550-Y554 HydrophobicContact CB-CD2 4.24Å; K550-Y554 HydrophobicContact CG-CD2 4.16Å; K550-Y554 HydrophobicContact CG-CE2 4.36Å; K550-Y554 WeakPolarHBondContact O-CB 3.33Å; K550-Y554 PolarHBondContact O-N 2.92Å; K550-Y554 VanDerWaalsContact O-N 3.09Å; K550-K556 HydrophobicContact CB-CB 4.25Å; K550-K556 HydrophobicContact CB-CD 4.23Å; K550-K556 HydrophobicContact CD-CD 4.33Å; K550-K556 PolarHBondContact O-N 2.95Å
551H97.2Very high96.4Very high47 Ų4757.2 Ų57.222%0.21830%0.304CS..Hα-helixtrans-64.9-46.8175.917866.4000111.9L547 F548 C549 G555 K556 L558L547-H551 WeakPolarHBondContact O-CB 3.46Å; L547-H551 PolarHBondContact O-N 3Å; F548-H551 WeakPolarHBondContact O-CB 3.45Å; F548-H551 PolarHBondContact O-N 2.93Å; F548-H551 VanDerWaalsContact O-N 3.16Å; C549-H551 VanDerWaalsContact C-N 3.28Å; C549-H551 PolarHBondContact O-N 3.33Å; H551-G555 VanDerWaalsContact O-CA 3.24Å; H551-G555 WeakPolarHBondContact O-CA 3.4Å; H551-G555 PolarHBondContact O-N 3.36Å; H551-G555 VanDerWaalsContact O-N 3.15Å; H551-K556 WeakPolarHBondContact CA-O 3.45Å; H551-K556 PolarHBondContact ND1-O 3.1Å; H551-L558 HydrophobicContact CB-CD1 4.11Å; H551-L558 HydrophobicContact CB-CD2 4.02Å; H551-L558 HydrophobicContact CB-CG 3.88Å
552V97.1Very high96.4Very high51 Ų5156.5 Ų56.531%0.30930%0.3SS..Hα-helixtrans-73.3-40.6-177.21760000112.5F548 C549 K581 I585F548-V552 HydrophobicContact CD1-CG2 4.46Å; F548-V552 HydrophobicContact CD2-CG2 4.28Å; F548-V552 HydrophobicContact CE1-CG2 3.99Å; F548-V552 HydrophobicContact CE2-CG2 3.78Å; F548-V552 HydrophobicContact CZ-CG2 3.62Å; F548-V552 WeakPolarHBondContact O-CG2 3.48Å; F548-V552 PolarHBondContact O-N 3.02Å; C549-V552 PolarHBondContact O-N 2.74Å; V552-K581 HydrophobicContact CG1-CB 4.26Å; V552-K581 HydrophobicContact CG1-CD 3.96Å; V552-K581 HydrophobicContact CG1-CG 3.99Å; V552-K581 HydrophobicContact CG2-CB 4.42Å; V552-I585 HydrophobicContact CG2-CD1 4.21Å
553E94.7Very high96.3Very high110 Ų11053 Ų5351%0.51428%0.28SS..Hα-helixtrans-85.5-42-172.3-67177.8178.100112.8C549C549-E553 WeakPolarHBondContact O-CB 3.47Å; C549-E553 WeakPolarHBondContact O-CG 3.23Å; C549-E553 PolarHBondContact O-N 3.02Å
554Y95.2Very high96.2Very high174 Ų17452.2 Ų52.268%0.68228%0.277SS*.Hα-helixtrans-109.9-0.1-173.8-49-68000113.3K550 K556K550-Y554 HydrophobicContact CB-CD2 4.24Å; K550-Y554 HydrophobicContact CG-CD2 4.16Å; K550-Y554 HydrophobicContact CG-CE2 4.36Å; K550-Y554 WeakPolarHBondContact O-CB 3.33Å; K550-Y554 PolarHBondContact O-N 2.92Å; K550-Y554 VanDerWaalsContact O-N 3.09Å; Y554-K556 PolarHBondContact O-N 2.99Å
555G93.4Very high96.2Very high58 Ų5852.4 Ų52.460%0.59828%0.278SS*.  trans65.622.2-175.300000113.1H551H551-G555 VanDerWaalsContact O-CA 3.24Å; H551-G555 WeakPolarHBondContact O-CA 3.4Å; H551-G555 PolarHBondContact O-N 3.36Å; H551-G555 VanDerWaalsContact O-N 3.15Å
556K94.5Very high96.2Very high105 Ų10549.1 Ų49.146%0.45726%0.261SS..PPolyproline II helixtrans-63.7125.8179-170.9175.4-178.5179.10109.2K550 H551 Y554K550-K556 HydrophobicContact CB-CB 4.25Å; K550-K556 HydrophobicContact CB-CD 4.23Å; K550-K556 HydrophobicContact CD-CD 4.33Å; K550-K556 PolarHBondContact O-N 2.95Å; H551-K556 WeakPolarHBondContact CA-O 3.45Å; H551-K556 PolarHBondContact ND1-O 3.1Å; Y554-K556 PolarHBondContact O-N 2.99Å
557P92.9Very high96.2Very high111 Ų11144.6 Ų44.672%0.72124%0.24SC*.PPolyproline II helixtrans-65.1140.1178.925.8-33000110.5
558L95.4Very high96.2Very high20 Ų2043.2 Ų43.211%0.10523%0.233CC..PPolyproline II helixtrans-90.4149169-64.9179000109.2L547 H551 P560 R563 I566 F567L547-L558 HydrophobicContact CB-CD2 4.07Å; H551-L558 HydrophobicContact CB-CD1 4.11Å; H551-L558 HydrophobicContact CB-CD2 4.02Å; H551-L558 HydrophobicContact CB-CG 3.88Å; L558-P560 WeakPolarHBondContact O-CD 3.36Å; L558-R563 HydrophobicContact CB-CB 4.49Å; L558-R563 HydrophobicContact CD1-CG 4.29Å; L558-I566 HydrophobicContact CD1-CB 4.42Å; L558-I566 HydrophobicContact CD1-CD1 4.27Å; L558-I566 HydrophobicContact CD1-CG2 4.02Å; L558-I566 HydrophobicContact CD2-CD1 3.87Å; L558-F567 HydrophobicContact CD1-CD1 4.3Å; L558-F567 HydrophobicContact CD1-CE1 3.67Å; L558-F567 HydrophobicContact CD1-CZ 4.41Å
559L94.5Very high96.2Very high49 Ų4943.3 Ų43.326%0.25723%0.234SC..PPolyproline II helixtrans-59127.7165.4-73.2177.2000109W511 Q513 D561 L562 R563W511-L559 WeakPolarHBondContact O-CD1 3.34Å; Q513-L559 HydrophobicContact CB-CD1 4.3Å; Q513-L559 HydrophobicContact CB-CD2 4.11Å; L559-D561 VanDerWaalsContact C-N 3.27Å; L559-D561 PolarHBondContact O-N 3.26Å; L559-L562 HydrophobicContact CB-CB 4.31Å; L559-L562 HydrophobicContact CB-CD1 4.33Å; L559-L562 HydrophobicContact CB-CG 4.28Å; L559-L562 HydrophobicContact CD1-CD1 4Å; L559-L562 PolarHBondContact O-N 3.44Å; L559-R563 PolarHBondContact O-N 3.01Å; L559-R563 VanDerWaalsContact O-N 3.1Å
560P95.4Very high96.2Very high24 Ų2442 Ų4216%0.15623%0.225CC..Hα-helixtrans-52-43.8-178.1-33.139.1000113.9K87 M88 S89 L558 L562 R563K87-P560 WeakPolarHBondContact O-CG 3.45Å; M88-P560 WeakPolarHBondContact O-CB 3.31Å; S89-P560 VanDerWaalsContact C-CB 3.48Å; S89-P560 VanDerWaalsContact O-CB 3.25Å; S89-P560 WeakPolarHBondContact O-CB 3.49Å; L558-P560 WeakPolarHBondContact O-CD 3.36Å; P560-L562 VanDerWaalsContact C-N 3.25Å; P560-L562 PolarHBondContact O-N 3.37Å; P560-R563 WeakPolarHBondContact O-CB 3.29Å; P560-R563 PolarHBondContact O-N 3.29Å
561D95.4Very high96.1Very high18 Ų1839 Ų3910%0.09621%0.212CC..Hα-helixtrans-63.8-27.5179.6-65.8-57.9000113.9S90 T91 S526 L559S90-D561 WeakPolarHBondContact CB-OD1 3.3Å; T91-D561 WeakPolarHBondContact CB-OD1 3.33Å; T91-D561 PolarHBondContact N-OD1 3.33Å; T91-D561 PolarHBondContact OG1-OD1 3.45Å; T91-D561 PolarHBondContact OG1-OD2 3.04Å; S526-D561 WeakPolarHBondContact CB-O 3.35Å; S526-D561 PolarHBondContact OG-O 3.34Å; L559-D561 VanDerWaalsContact C-N 3.27Å; L559-D561 PolarHBondContact O-N 3.26Å
562L96.6Very high96.1Very high2 Ų237 Ų371%0.0120%0.202CC..Hα-helixtrans-93.4-16.6-179.4-63.7-177000113.2W511 R525 L559 P560 A564 M565 I566W511-L562 HydrophobicContact CE3-CD1 3.92Å; R525-L562 HydrophobicContact CG-CD2 3.95Å; L559-L562 HydrophobicContact CB-CB 4.31Å; L559-L562 HydrophobicContact CB-CD1 4.33Å; L559-L562 HydrophobicContact CB-CG 4.28Å; L559-L562 HydrophobicContact CD1-CD1 4Å; L559-L562 PolarHBondContact O-N 3.44Å; P560-L562 VanDerWaalsContact C-N 3.25Å; P560-L562 PolarHBondContact O-N 3.37Å; L562-A564 PolarHBondContact O-N 3Å; L562-M565 HydrophobicContact CB-CE 4.48Å; L562-M565 HydrophobicContact CD2-CE 3.88Å; L562-M565 PolarHBondContact O-N 3.39Å; L562-I566 HydrophobicContact CB-CD1 3.83Å; L562-I566 HydrophobicContact CB-CG1 4.36Å; L562-I566 WeakPolarHBondContact O-CB 3.41Å; L562-I566 VanDerWaalsContact O-CG1 3.3Å; L562-I566 WeakPolarHBondContact O-CG1 3.31Å; L562-I566 PolarHBondContact O-N 2.69Å
563R97.1Very high96.1Very high13 Ų1337.5 Ų37.55%0.04920%0.199CC..Hα-helixtrans-55.7-48.9-172.9-178.6178.159.1-116.2-5.6112.4M88 L558 L559 P560 M565 I566 F567 E593 D597M88-R563 PolarHBondContact O-NH1 3.02Å; M88-R563 PolarHBondContact O-NH2 2.67Å; L558-R563 HydrophobicContact CB-CB 4.49Å; L558-R563 HydrophobicContact CD1-CG 4.29Å; L559-R563 PolarHBondContact O-N 3.01Å; L559-R563 VanDerWaalsContact O-N 3.1Å; P560-R563 WeakPolarHBondContact O-CB 3.29Å; P560-R563 PolarHBondContact O-N 3.29Å; R563-M565 VanDerWaalsContact C-N 3.33Å; R563-M565 PolarHBondContact O-N 2.82Å; R563-I566 PolarHBondContact O-N 2.94Å; R563-F567 HydrophobicContact CG-CD1 4.42Å; R563-F567 HydrophobicContact CG-CD2 4.04Å; R563-F567 HydrophobicContact CG-CE1 4.03Å; R563-F567 HydrophobicContact CG-CE2 3.6Å; R563-F567 HydrophobicContact CG-CG 4.43Å; R563-F567 HydrophobicContact CG-CZ 3.6Å; R563-F567 WeakPolarHBondContact O-CB 3.39Å; R563-F567 WeakPolarHBondContact O-CG 3.28Å; R563-F567 PolarHBondContact O-N 3.29Å; R563-E593 IonicContact NH2-OE1 2.73Å; R563-E593 PolarHBondContact NH2-OE1 3.16Å; R563-D597 IonicContact CZ-OD2 3.87Å; R563-D597 VanDerWaalsContact CZ-OD2 3.3Å; R563-D597 IonicContact NE-OD2 2.71Å; R563-D597 PolarHBondContact NE-OD2 2.81Å; R563-D597 IonicContact NH2-OD2 2.67Å; R563-D597 PolarHBondContact NH2-OD2 2.92Å
564A96.1Very high96.1Very high22 Ų2233.5 Ų33.518%0.18219%0.187CC..Hα-helixtrans-60.3-42.5-179.100000112.4L562 S568 D597L562-A564 PolarHBondContact O-N 3Å; A564-S568 VanDerWaalsContact O-CB 3.31Å; A564-S568 WeakPolarHBondContact O-CB 3.47Å; A564-S568 PolarHBondContact O-N 3.21Å; A564-S568 PolarHBondContact O-OG 3.4Å; A564-D597 HydrophobicContact CB-CB 4.39Å; A564-D597 WeakPolarHBondContact CB-OD1 2.68Å
565M96.3Very high96.2Very high4 Ų425.8 Ų25.82%0.0216%0.161CC..Hα-helixtrans-70.1-43.9178.7178.3-83.4-62.300111.5W511 M529 D530 L562 R563 F567 S568 S569W511-M565 HydrophobicContact CE3-CE 4.42Å; W511-M565 HydrophobicContact CH2-CE 3.69Å; W511-M565 HydrophobicContact CH2-SD 4.24Å; W511-M565 HydrophobicContact CZ3-CE 3.44Å; W511-M565 VanDerWaalsContact CZ3-CE 3.44Å; W511-M565 HydrophobicContact CZ3-SD 4.4Å; M529-M565 HydrophobicContact CB-CE 3.25Å; M529-M565 HydrophobicContact CB-CG 4.1Å; M529-M565 HydrophobicContact CB-SD 3.79Å; M529-M565 HydrophobicContact CG-CE 3.94Å; D530-M565 HydrophobicContact CB-CG 3.86Å; L562-M565 HydrophobicContact CB-CE 4.48Å; L562-M565 HydrophobicContact CD2-CE 3.88Å; L562-M565 PolarHBondContact O-N 3.39Å; R563-M565 VanDerWaalsContact C-N 3.33Å; R563-M565 PolarHBondContact O-N 2.82Å; M565-F567 PolarHBondContact O-N 2.85Å; M565-S568 PolarHBondContact O-N 3.12Å; M565-S569 WeakPolarHBondContact O-CB 3.49Å; M565-S569 PolarHBondContact O-N 2.75Å
566I98.3Very high96.4Very high1 Ų125 Ų251%0.00515%0.145CC..Hα-helixtrans-59.7-48.2176.7-71169.4000110.5W511 L547 F548 L558 L562 R563 S568 S569 A570W511-I566 HydrophobicContact CZ3-CD1 4.28Å; W511-I566 HydrophobicContact CZ3-CG1 4.01Å; L547-I566 HydrophobicContact CB-CD1 4.14Å; L547-I566 HydrophobicContact CD1-CD1 3.95Å; F548-I566 HydrophobicContact CB-CG2 3.77Å; F548-I566 HydrophobicContact CD2-CG2 4.48Å; L558-I566 HydrophobicContact CD1-CB 4.42Å; L558-I566 HydrophobicContact CD1-CD1 4.27Å; L558-I566 HydrophobicContact CD1-CG2 4.02Å; L558-I566 HydrophobicContact CD2-CD1 3.87Å; L562-I566 HydrophobicContact CB-CD1 3.83Å; L562-I566 HydrophobicContact CB-CG1 4.36Å; L562-I566 WeakPolarHBondContact O-CB 3.41Å; L562-I566 VanDerWaalsContact O-CG1 3.3Å; L562-I566 WeakPolarHBondContact O-CG1 3.31Å; L562-I566 PolarHBondContact O-N 2.69Å; R563-I566 PolarHBondContact O-N 2.94Å; I566-S568 VanDerWaalsContact C-N 3.33Å; I566-S568 PolarHBondContact O-N 2.78Å; I566-S569 PolarHBondContact O-N 3.04Å; I566-A570 WeakPolarHBondContact O-CB 3.49Å; I566-A570 PolarHBondContact O-N 2.57Å
567F98.3Very high96.5Very high0 Ų027 Ų270%016%0.156CC..Hα-helixtrans-62.1-42.8177.2-69.5-2.6000111.4F548 L558 R563 M565 S569 A570 C571 I582 I585 V594 D597 A601F548-F567 AromaticContact CD2-CD1 3.91Å; F548-F567 HydrophobicContact CD2-CD1 3.91Å; F548-F567 HydrophobicContact CD2-CE1 4.14Å; F548-F567 HydrophobicContact CE2-CD1 4.08Å; F548-F567 HydrophobicContact CE2-CE1 4.25Å; L558-F567 HydrophobicContact CD1-CD1 4.3Å; L558-F567 HydrophobicContact CD1-CE1 3.67Å; L558-F567 HydrophobicContact CD1-CZ 4.41Å; R563-F567 HydrophobicContact CG-CD1 4.42Å; R563-F567 HydrophobicContact CG-CD2 4.04Å; R563-F567 HydrophobicContact CG-CE1 4.03Å; R563-F567 HydrophobicContact CG-CE2 3.6Å; R563-F567 HydrophobicContact CG-CG 4.43Å; R563-F567 HydrophobicContact CG-CZ 3.6Å; R563-F567 WeakPolarHBondContact O-CB 3.39Å; R563-F567 WeakPolarHBondContact O-CG 3.28Å; R563-F567 PolarHBondContact O-N 3.29Å; M565-F567 PolarHBondContact O-N 2.85Å; F567-S569 PolarHBondContact O-N 3.08Å; F567-A570 PolarHBondContact O-N 3.12Å; F567-C571 WeakPolarHBondContact O-CB 3.27Å; F567-C571 PolarHBondContact O-N 2.73Å; F567-I582 HydrophobicContact CB-CD1 4.28Å; F567-I585 HydrophobicContact CE1-CD1 4.32Å; F567-I585 HydrophobicContact CZ-CD1 4.04Å; F567-I585 HydrophobicContact CZ-CG2 4.49Å; F567-V594 HydrophobicContact CE2-CG1 4.49Å; F567-D597 HydrophobicContact CD2-CB 4.14Å; F567-A601 VanDerWaalsContact C-CB 3.45Å; F567-A601 HydrophobicContact CB-CB 3.52Å
568S97.6Very high96.7Very high4 Ų422.3 Ų22.33%0.02813%0.125CC..Hα-helixtrans-63.5-40.5178.4-61.50000112.2A564 M565 I566 R572A564-S568 VanDerWaalsContact O-CB 3.31Å; A564-S568 WeakPolarHBondContact O-CB 3.47Å; A564-S568 PolarHBondContact O-N 3.21Å; A564-S568 PolarHBondContact O-OG 3.4Å; M565-S568 PolarHBondContact O-N 3.12Å; I566-S568 VanDerWaalsContact C-N 3.33Å; I566-S568 PolarHBondContact O-N 2.78Å; S568-R572 VanDerWaalsContact O-CB 3.29Å; S568-R572 WeakPolarHBondContact O-CB 3.29Å; S568-R572 PolarHBondContact O-N 2.69Å
569S98.1Very high96.8Very high2 Ų221.4 Ų21.41%0.01412%0.12CC..Hα-helixtrans-65.5-48.2175.9-165.10000111S533 M565 I566 F567 C571 R572 Y573S533-S569 WeakPolarHBondContact OG-CB 3.37Å; S533-S569 PolarHBondContact OG-OG 2.89Å; M565-S569 WeakPolarHBondContact O-CB 3.49Å; M565-S569 PolarHBondContact O-N 2.75Å; I566-S569 PolarHBondContact O-N 3.04Å; F567-S569 PolarHBondContact O-N 3.08Å; S569-C571 PolarHBondContact O-N 3.48Å; S569-R572 WeakPolarHBondContact O-CB 3.33Å; S569-R572 PolarHBondContact O-N 2.71Å; S569-R572 VanDerWaalsContact O-N 3.15Å; S569-Y573 VanDerWaalsContact O-CD2 3.23Å; S569-Y573 WeakPolarHBondContact O-CD2 3.39Å; S569-Y573 PolarHBondContact O-N 3.35Å
570A97.9Very high97Very high3 Ų323.4 Ų23.43%0.02513%0.128CC..Hα-helixtrans-59.5-47.2178.400000111.7F548 I566 F567 R572 Y573 G574 T578F548-A570 HydrophobicContact CB-CB 4.11Å; F548-A570 HydrophobicContact CD1-CB 3.77Å; F548-A570 HydrophobicContact CD2-CB 3.92Å; F548-A570 HydrophobicContact CE1-CB 4.16Å; F548-A570 HydrophobicContact CE2-CB 4.29Å; F548-A570 HydrophobicContact CG-CB 3.64Å; F548-A570 HydrophobicContact CZ-CB 4.4Å; I566-A570 WeakPolarHBondContact O-CB 3.49Å; I566-A570 PolarHBondContact O-N 2.57Å; F567-A570 PolarHBondContact O-N 3.12Å; A570-R572 VanDerWaalsContact C-N 3.3Å; A570-R572 PolarHBondContact O-N 2.82Å; A570-Y573 PolarHBondContact O-N 3.25Å; A570-G574 WeakPolarHBondContact O-CA 3.48Å; A570-G574 PolarHBondContact O-N 3.08Å; A570-T578 HydrophobicContact CB-CG2 3.82Å; A570-T578 WeakPolarHBondContact O-CG2 3.45Å
571C97.2Very high97.1Very high1 Ų125.2 Ų25.21%0.00713%0.134CC..Hα-helixtrans-66.7-30.4177.1-107.30000113.4F567 S569 Y573 I582 A601 S605F567-C571 WeakPolarHBondContact O-CB 3.27Å; F567-C571 PolarHBondContact O-N 2.73Å; S569-C571 PolarHBondContact O-N 3.48Å; C571-Y573 VanDerWaalsContact C-N 3.32Å; C571-Y573 PolarHBondContact O-N 3.4Å; C571-I582 HydrophobicContact CB-CD1 4.04Å; C571-I582 WeakPolarHBondContact SG-CD1 3.47Å; C571-A601 HydrophobicContact CB-CB 4.47Å; C571-A601 WeakPolarHBondContact CB-O 3.5Å; C571-S605 WeakPolarHBondContact O-CA 2.95Å
572R97.1Very high97.2Very high4 Ų424.3 Ų24.32%0.01513%0.129CC..Hα-helixtrans-62.8-39.8178.1-173.8179.3-69.1-97.3-4.7112S568 S569 A570 E606S568-R572 VanDerWaalsContact O-CB 3.29Å; S568-R572 WeakPolarHBondContact O-CB 3.29Å; S568-R572 PolarHBondContact O-N 2.69Å; S569-R572 WeakPolarHBondContact O-CB 3.33Å; S569-R572 PolarHBondContact O-N 2.71Å; S569-R572 VanDerWaalsContact O-N 3.15Å; A570-R572 VanDerWaalsContact C-N 3.3Å; A570-R572 PolarHBondContact O-N 2.82Å; R572-E606 WeakPolarHBondContact CD-OE1 3.23Å; R572-E606 HydrophobicContact CG-CG 3.94Å; R572-E606 IonicContact CZ-OE1 3.04Å; R572-E606 IonicContact NH1-OE1 3.79Å; R572-E606 PolarHBondContact NH1-OE1 3.05Å; R572-E606 PolarHBondContact O-N 3.45Å
573Y96.6Very high97.2Very high62 Ų6225.7 Ų25.724%0.24314%0.136CC..Hα-helixtrans-115.5-25.5-168.7-56.6-59.9000115.2S533 I541 S569 A570 C571 G575S533-Y573 PolarHBondContact O-OH 3.47Å; I541-Y573 HydrophobicContact CD1-CD2 4.22Å; I541-Y573 HydrophobicContact CD1-CE1 4.46Å; I541-Y573 HydrophobicContact CD1-CE2 3.53Å; I541-Y573 HydrophobicContact CG1-CD2 4.16Å; I541-Y573 HydrophobicContact CG1-CE2 3.63Å; I541-Y573 HydrophobicContact CG2-CD2 3.9Å; I541-Y573 HydrophobicContact CG2-CE2 4.24Å; S569-Y573 VanDerWaalsContact O-CD2 3.23Å; S569-Y573 WeakPolarHBondContact O-CD2 3.39Å; S569-Y573 PolarHBondContact O-N 3.35Å; A570-Y573 PolarHBondContact O-N 3.25Å; C571-Y573 VanDerWaalsContact C-N 3.32Å; C571-Y573 PolarHBondContact O-N 3.4Å; Y573-G575 PolarHBondContact O-N 2.87Å
574G94.7Very high97.2Very high26 Ų2632.4 Ų32.427%0.26817%0.166SC..SBendtrans-86.84.8-16500000117.1A570 T578A570-G574 WeakPolarHBondContact O-CA 3.48Å; A570-G574 PolarHBondContact O-N 3.08Å; G574-T578 WeakPolarHBondContact CA-OG1 3.49Å; G574-T578 VanDerWaalsContact O-CB 3.25Å; G574-T578 WeakPolarHBondContact O-CB 3.29Å; G574-T578 PolarHBondContact O-OG1 2.8Å
575G96.5Very high97.3Very high13 Ų1332.8 Ų32.813%0.13416%0.164CC..Hα-helixtrans66.1-163.2174.300000116Y573 Q577 T578 F579 I607Y573-G575 PolarHBondContact O-N 2.87Å; G575-Q577 PolarHBondContact O-N 2.91Å; G575-T578 PolarHBondContact O-N 3.29Å; G575-F579 PolarHBondContact O-N 2.77Å; G575-I607 VanDerWaalsContact CA-CD1 3.43Å
576V97.7Very high97.3Very high42 Ų4233.4 Ų33.426%0.25517%0.166SC..Hα-helixtrans-63.8-38.9-171.7177.40000112.7T578 F579 E580 E609 V610 K613V576-T578 VanDerWaalsContact C-N 3.32Å; V576-T578 PolarHBondContact O-N 3.15Å; V576-F579 WeakPolarHBondContact O-CB 3.32Å; V576-F579 PolarHBondContact O-N 2.89Å; V576-E580 WeakPolarHBondContact O-CG 3.34Å; V576-E580 PolarHBondContact O-N 3.46Å; V576-E609 HydrophobicContact CG2-CB 3.91Å; V576-V610 HydrophobicContact CG2-CG2 3.94Å; V576-K613 HydrophobicContact CG1-CD 4.02Å
577Q97Very high97.2Very high147 Ų14738.5 Ų38.569%0.68719%0.194SC*.Hα-helixtrans-63.7-40.3179.3-64.1179.814.300111.5G575 E580 K581G575-Q577 PolarHBondContact O-N 2.91Å; Q577-E580 PolarHBondContact O-N 3.34Å; Q577-K581 WeakPolarHBondContact O-CG 3.46Å; Q577-K581 PolarHBondContact O-N 3.21Å
578T97.4Very high97Very high11 Ų1147 Ų477%0.06723%0.231CC..Hα-helixtrans-68.1-40.3176.8-62.80000111.7F548 A570 G574 G575 V576 E580 K581 I582F548-T578 HydrophobicContact CD1-CG2 4.4Å; F548-T578 HydrophobicContact CE1-CG2 3.66Å; F548-T578 HydrophobicContact CZ-CG2 3.97Å; A570-T578 HydrophobicContact CB-CG2 3.82Å; A570-T578 WeakPolarHBondContact O-CG2 3.45Å; G574-T578 WeakPolarHBondContact CA-OG1 3.49Å; G574-T578 VanDerWaalsContact O-CB 3.25Å; G574-T578 WeakPolarHBondContact O-CB 3.29Å; G574-T578 PolarHBondContact O-OG1 2.8Å; G575-T578 PolarHBondContact O-N 3.29Å; V576-T578 VanDerWaalsContact C-N 3.32Å; V576-T578 PolarHBondContact O-N 3.15Å; T578-E580 VanDerWaalsContact C-N 3.33Å; T578-E580 PolarHBondContact O-N 3.44Å; T578-K581 WeakPolarHBondContact O-CB 3.45Å; T578-K581 PolarHBondContact O-N 2.83Å; T578-I582 HydrophobicContact CG2-CD1 4.35Å; T578-I582 PolarHBondContact O-N 2.85Å
579F97.9Very high96.8Very high1 Ų148 Ų480%0.00424%0.237CC..Hα-helixtrans-56.8-45.6171.9174.3-91000112G575 V576 K581 I582 L583 M602 V610 K613 L614G575-F579 PolarHBondContact O-N 2.77Å; V576-F579 WeakPolarHBondContact O-CB 3.32Å; V576-F579 PolarHBondContact O-N 2.89Å; F579-K581 PolarHBondContact O-N 3.44Å; F579-I582 PolarHBondContact O-N 3.46Å; F579-L583 HydrophobicContact CE1-CD2 4.19Å; F579-L583 WeakPolarHBondContact O-CB 3.37Å; F579-L583 PolarHBondContact O-N 3.01Å; F579-M602 HydrophobicContact CD2-CB 4.3Å; F579-M602 HydrophobicContact CD2-CG 3.93Å; F579-M602 HydrophobicContact CD2-SD 4.27Å; F579-M602 HydrophobicContact CE2-CB 3.94Å; F579-M602 HydrophobicContact CE2-CG 3.73Å; F579-M602 HydrophobicContact CE2-SD 3.65Å; F579-M602 HydrophobicContact CZ-SD 4.02Å; F579-V610 HydrophobicContact CB-CG1 3.82Å; F579-V610 HydrophobicContact CB-CG2 4.49Å; F579-V610 HydrophobicContact CD2-CG1 3.59Å; F579-V610 HydrophobicContact CE2-CG1 4.4Å; F579-V610 HydrophobicContact CG-CG1 3.86Å; F579-K613 HydrophobicContact CD1-CD 3.95Å; F579-K613 HydrophobicContact CD1-CG 4.26Å; F579-K613 HydrophobicContact CE1-CB 4.29Å; F579-K613 HydrophobicContact CE1-CD 3.94Å; F579-K613 HydrophobicContact CE1-CG 3.78Å; F579-L614 HydrophobicContact CE2-CB 4.08Å; F579-L614 HydrophobicContact CE2-CD1 4.12Å; F579-L614 HydrophobicContact CZ-CB 4.33Å; F579-L614 HydrophobicContact CZ-CD1 4.44Å
580E97.6Very high96.3Very high91 Ų9154.5 Ų54.543%0.42528%0.276SS..Hα-helixtrans-64.2-38.4177.2-72178.9161.300112.8V576 Q577 T578 L583 K584 K613V576-E580 WeakPolarHBondContact O-CG 3.34Å; V576-E580 PolarHBondContact O-N 3.46Å; Q577-E580 PolarHBondContact O-N 3.34Å; T578-E580 VanDerWaalsContact C-N 3.33Å; T578-E580 PolarHBondContact O-N 3.44Å; E580-L583 PolarHBondContact O-N 3.24Å; E580-K584 WeakPolarHBondContact O-CB 3.1Å; E580-K584 PolarHBondContact O-N 3.39Å; E580-K613 IonicContact OE1-NZ 2.73Å; E580-K613 PolarHBondContact OE1-NZ 3.49Å
581K97.9Very high95.9Very high62 Ų6255.1 Ų55.127%0.2728%0.279SS..Hα-helixtrans-60.2-46.1173.7-72170.3175.1-175.50111F548 V552 Q577 T578 F579 K584 I585F548-K581 HydrophobicContact CE1-CB 4.45Å; F548-K581 HydrophobicContact CE1-CD 4.18Å; F548-K581 HydrophobicContact CZ-CB 4.01Å; V552-K581 HydrophobicContact CG1-CB 4.26Å; V552-K581 HydrophobicContact CG1-CD 3.96Å; V552-K581 HydrophobicContact CG1-CG 3.99Å; V552-K581 HydrophobicContact CG2-CB 4.42Å; Q577-K581 WeakPolarHBondContact O-CG 3.46Å; Q577-K581 PolarHBondContact O-N 3.21Å; T578-K581 WeakPolarHBondContact O-CB 3.45Å; T578-K581 PolarHBondContact O-N 2.83Å; F579-K581 PolarHBondContact O-N 3.44Å; K581-K584 WeakPolarHBondContact O-CB 3.36Å; K581-K584 PolarHBondContact O-N 3.44Å; K581-I585 WeakPolarHBondContact O-CG1 3.45Å; K581-I585 PolarHBondContact O-N 3.48Å; K581-I585 VanDerWaalsContact O-N 3.12Å
582I97.8Very high95.5Very high0 Ų056 Ų560%029%0.285CS..Hα-helixtrans-66.7-40.5177.4-74.6169.3000111.5F548 F567 C571 T578 F579 K584 I585 Y586 C598 M602F548-I582 HydrophobicContact CE2-CD1 3.98Å; F548-I582 HydrophobicContact CE2-CG1 3.68Å; F548-I582 HydrophobicContact CZ-CD1 4.13Å; F548-I582 HydrophobicContact CZ-CG1 3.77Å; F567-I582 HydrophobicContact CB-CD1 4.28Å; C571-I582 HydrophobicContact CB-CD1 4.04Å; C571-I582 WeakPolarHBondContact SG-CD1 3.47Å; T578-I582 HydrophobicContact CG2-CD1 4.35Å; T578-I582 PolarHBondContact O-N 2.85Å; F579-I582 PolarHBondContact O-N 3.46Å; I582-K584 VanDerWaalsContact C-N 3.27Å; I582-K584 PolarHBondContact O-N 3.05Å; I582-I585 WeakPolarHBondContact O-CB 3.4Å; I582-I585 PolarHBondContact O-N 3.42Å; I582-I585 VanDerWaalsContact O-N 3.12Å; I582-Y586 PolarHBondContact O-N 3.27Å; I582-C598 HydrophobicContact CG2-CB 3.83Å; I582-M602 HydrophobicContact CG2-CG 3.73Å; I582-M602 HydrophobicContact CG2-SD 4.36Å
583L96.9Very high95.3Very high31 Ų3157.3 Ų57.316%0.16229%0.291CS..Hα-helixtrans-61.8-37.1175.5-176.261000111.9F579 E580 Y586 N587 M602 F617F579-L583 HydrophobicContact CE1-CD2 4.19Å; F579-L583 WeakPolarHBondContact O-CB 3.37Å; F579-L583 PolarHBondContact O-N 3.01Å; E580-L583 PolarHBondContact O-N 3.24Å; L583-Y586 HydrophobicContact CD1-CD1 4.27Å; L583-Y586 WeakPolarHBondContact O-CB 3.31Å; L583-Y586 PolarHBondContact O-N 2.99Å; L583-N587 PolarHBondContact O-N 3.04Å; L583-N587 PolarHBondContact O-ND2 3.42Å; L583-M602 HydrophobicContact CB-SD 4.42Å; L583-M602 HydrophobicContact CD1-SD 4.22Å; L583-F617 HydrophobicContact CD1-CD1 4.42Å; L583-F617 HydrophobicContact CD1-CD2 3.85Å; L583-F617 HydrophobicContact CD1-CE1 4.12Å; L583-F617 HydrophobicContact CD1-CE2 3.51Å; L583-F617 HydrophobicContact CD1-CG 4.29Å; L583-F617 HydrophobicContact CD1-CZ 3.66Å
584K96.9Very high95.2Very high154 Ų15454.9 Ų54.967%0.6728%0.283SS*.Hα-helixtrans-64.7-39.3173.5-173.2179.9-179-179.70112.1E580 K581 I582 K588E580-K584 WeakPolarHBondContact O-CB 3.1Å; E580-K584 PolarHBondContact O-N 3.39Å; K581-K584 WeakPolarHBondContact O-CB 3.36Å; K581-K584 PolarHBondContact O-N 3.44Å; I582-K584 VanDerWaalsContact C-N 3.27Å; I582-K584 PolarHBondContact O-N 3.05Å; K584-K588 VanDerWaalsContact O-CB 3.31Å; K584-K588 WeakPolarHBondContact O-CB 3.24Å; K584-K588 PolarHBondContact O-N 2.92Å; K584-K588 VanDerWaalsContact O-N 3.16Å
585I97.2Very high95.2Very high29 Ų2955.1 Ų55.115%0.14928%0.277CS..Hα-helixtrans-62-49.9173.8-64.3168.6000109.7F548 V552 F567 K581 I582 N587 K588 T589 V594F548-I585 HydrophobicContact CE2-CD1 4.47Å; V552-I585 HydrophobicContact CG2-CD1 4.21Å; F567-I585 HydrophobicContact CE1-CD1 4.32Å; F567-I585 HydrophobicContact CZ-CD1 4.04Å; F567-I585 HydrophobicContact CZ-CG2 4.49Å; K581-I585 WeakPolarHBondContact O-CG1 3.45Å; K581-I585 PolarHBondContact O-N 3.48Å; K581-I585 VanDerWaalsContact O-N 3.12Å; I582-I585 WeakPolarHBondContact O-CB 3.4Å; I582-I585 PolarHBondContact O-N 3.42Å; I582-I585 VanDerWaalsContact O-N 3.12Å; I585-N587 VanDerWaalsContact C-N 3.34Å; I585-N587 PolarHBondContact O-N 3.27Å; I585-K588 PolarHBondContact O-N 2.95Å; I585-K588 VanDerWaalsContact O-N 3.1Å; I585-T589 VanDerWaalsContact O-CG2 3.29Å; I585-T589 WeakPolarHBondContact O-CG2 3.26Å; I585-T589 PolarHBondContact O-N 2.7Å; I585-V594 HydrophobicContact CG2-CG1 3.91Å
586Y96.7Very high95.1Very high17 Ų1757 Ų577%0.06728%0.28CS..Hα-helixtrans-53.4-48.2178.4172.5-99.9000112.5I582 L583 K588 Q595 C598 L599 F617 A622I582-Y586 PolarHBondContact O-N 3.27Å; L583-Y586 HydrophobicContact CD1-CD1 4.27Å; L583-Y586 WeakPolarHBondContact O-CB 3.31Å; L583-Y586 PolarHBondContact O-N 2.99Å; Y586-K588 VanDerWaalsContact C-N 3.3Å; Y586-K588 PolarHBondContact O-N 3.31Å; Y586-Q595 HydrophobicContact CD2-CB 3.96Å; Y586-Q595 HydrophobicContact CD2-CG 4.17Å; Y586-Q595 HydrophobicContact CE2-CB 3.92Å; Y586-Q595 HydrophobicContact CE2-CG 4.23Å; Y586-C598 HydrophobicContact CD2-CB 4.28Å; Y586-L599 HydrophobicContact CD2-CD2 4.25Å; Y586-L599 HydrophobicContact CD2-CG 4.12Å; Y586-L599 HydrophobicContact CE2-CD1 3.96Å; Y586-L599 HydrophobicContact CE2-CD2 3.8Å; Y586-L599 HydrophobicContact CE2-CG 3.74Å; Y586-F617 HydrophobicContact CD1-CZ 4.02Å; Y586-F617 HydrophobicContact CE1-CE2 4.45Å; Y586-F617 AromaticContact CE1-CZ 3.71Å; Y586-F617 HydrophobicContact CE1-CZ 3.71Å; Y586-A622 PolarHBondContact OH-O 3.12Å
587N95.4Very high95Very high109 Ų10955.8 Ų55.858%0.58327%0.272SS*.Hα-helixtrans-70.6-23.6-179.1-70.6-28.6000113.7L583 I585L583-N587 PolarHBondContact O-N 3.04Å; L583-N587 PolarHBondContact O-ND2 3.42Å; I585-N587 VanDerWaalsContact C-N 3.34Å; I585-N587 PolarHBondContact O-N 3.27Å
588K95.4Very high95.1Very high177 Ų17748.8 Ų48.877%0.7724%0.239SC*.Hα-helixtrans-90.6-34.8-177.4-175.2-179176.6-172.50112.7K584 I585 Y586K584-K588 VanDerWaalsContact O-CB 3.31Å; K584-K588 WeakPolarHBondContact O-CB 3.24Å; K584-K588 PolarHBondContact O-N 2.92Å; K584-K588 VanDerWaalsContact O-N 3.16Å; I585-K588 PolarHBondContact O-N 2.95Å; I585-K588 VanDerWaalsContact O-N 3.1Å; Y586-K588 VanDerWaalsContact C-N 3.3Å; Y586-K588 PolarHBondContact O-N 3.31Å
589T92.8Very high95Very high27 Ų2748.3 Ų48.317%0.16624%0.236CC..  trans-74.6138-174.7-176.50000111.9I585 F591 V594 Q595I585-T589 VanDerWaalsContact O-CG2 3.29Å; I585-T589 WeakPolarHBondContact O-CG2 3.26Å; I585-T589 PolarHBondContact O-N 2.7Å; T589-F591 PolarHBondContact OG1-N 3.43Å; T589-F591 VanDerWaalsContact OG1-N 3.11Å; T589-V594 HydrophobicContact CG2-CB 4.02Å; T589-V594 HydrophobicContact CG2-CG1 3.75Å; T589-Q595 HydrophobicContact CG2-CB 4.46Å; T589-Q595 HydrophobicContact CG2-CG 3.45Å; T589-Q595 VanDerWaalsContact CG2-CG 3.45Å; T589-Q595 PolarHBondContact O-NE2 3.23Å
590T88Confident94.9Very high137 Ų13752.3 Ų52.384%0.8425%0.252SS*.  trans-94.8-7.6169.653.90000112.4
591F90.2Very high94.9Very high16 Ų1648 Ų487%0.0723%0.231CC..  trans-91.6117.2-176.2-163.5-123.3000111.5F83 D85 M88 S89 T589 E593 V594 Q595F83-F591 HydrophobicContact CB-CE2 4.4Å; D85-F591 HydrophobicContact CB-CE1 4.35Å; D85-F591 HydrophobicContact CB-CE2 4.15Å; D85-F591 HydrophobicContact CB-CZ 3.92Å; M88-F591 HydrophobicContact CB-CD1 3.87Å; M88-F591 HydrophobicContact CB-CE1 3.91Å; M88-F591 HydrophobicContact CE-CB 3.68Å; M88-F591 HydrophobicContact CE-CD1 3.89Å; M88-F591 HydrophobicContact CE-CD2 4.1Å; M88-F591 HydrophobicContact CE-CG 3.63Å; M88-F591 HydrophobicContact SD-CB 4.33Å; M88-F591 HydrophobicContact SD-CD1 4.34Å; M88-F591 HydrophobicContact SD-CG 4.48Å; S89-F591 VanDerWaalsContact OG-CZ 3.31Å; S89-F591 WeakPolarHBondContact OG-CZ 3.31Å; T589-F591 PolarHBondContact OG1-N 3.43Å; T589-F591 VanDerWaalsContact OG1-N 3.11Å; F591-E593 VanDerWaalsContact C-N 3.27Å; F591-E593 HydrophobicContact CD1-CB 3.84Å; F591-E593 HydrophobicContact CE1-CB 3.57Å; F591-E593 HydrophobicContact CZ-CB 4.36Å; F591-E593 PolarHBondContact O-N 2.92Å; F591-V594 HydrophobicContact CD1-CG2 4.17Å; F591-V594 PolarHBondContact O-N 3.06Å; F591-V594 VanDerWaalsContact O-N 3.15Å; F591-Q595 PolarHBondContact O-N 2.87Å
592S88.5Confident94.9Very high21 Ų2145 Ų4515%0.14722%0.219CC..Hα-helixtrans-56.7-35-172.9-69.90000113.6Q595 R596S592-Q595 PolarHBondContact O-N 3.18Å; S592-R596 WeakPolarHBondContact O-CG 3.31Å; S592-R596 PolarHBondContact O-N 3.28Å
593E91.8Very high94.7Very high30 Ų3045 Ų4514%0.1422%0.219CC..Hα-helixtrans-62.9-47.1178.2-166.3178.7153.100111.8S89 S90 A93 R563 F591 Q595 R596 D597S89-E593 VanDerWaalsContact CA-OE2 3.26Å; S89-E593 WeakPolarHBondContact CA-OE2 3.16Å; S89-E593 PolarHBondContact OG-OE2 3.2Å; S90-E593 VanDerWaalsContact CB-OE1 3.28Å; S90-E593 WeakPolarHBondContact CB-OE1 3.44Å; S90-E593 PolarHBondContact N-OE1 3.16Å; S90-E593 PolarHBondContact OG-OE1 3.28Å; A93-E593 WeakPolarHBondContact CB-OE2 3.43Å; R563-E593 IonicContact NH2-OE1 2.73Å; R563-E593 PolarHBondContact NH2-OE1 3.16Å; F591-E593 VanDerWaalsContact C-N 3.27Å; F591-E593 HydrophobicContact CD1-CB 3.84Å; F591-E593 HydrophobicContact CE1-CB 3.57Å; F591-E593 HydrophobicContact CZ-CB 4.36Å; F591-E593 PolarHBondContact O-N 2.92Å; E593-Q595 VanDerWaalsContact C-N 3.32Å; E593-Q595 PolarHBondContact O-N 2.93Å; E593-R596 PolarHBondContact O-N 3.19Å; E593-D597 PolarHBondContact O-N 2.99Å
594V94.8Very high94.7Very high12 Ų1243.6 Ų43.67%0.07321%0.211CC..Hα-helixtrans-63.9-39.4177.8177.90000110.8F567 I585 T589 F591 R596 D597 C598F567-V594 HydrophobicContact CE2-CG1 4.49Å; I585-V594 HydrophobicContact CG2-CG1 3.91Å; T589-V594 HydrophobicContact CG2-CB 4.02Å; T589-V594 HydrophobicContact CG2-CG1 3.75Å; F591-V594 HydrophobicContact CD1-CG2 4.17Å; F591-V594 PolarHBondContact O-N 3.06Å; F591-V594 VanDerWaalsContact O-N 3.15Å; V594-R596 VanDerWaalsContact C-N 3.32Å; V594-R596 PolarHBondContact O-N 3.36Å; V594-D597 PolarHBondContact O-N 3.3Å; V594-C598 PolarHBondContact O-N 3.41Å; V594-C598 PolarHBondContact O-SG 3.38Å
595Q94.9Very high94.7Very high30 Ų3036.2 Ų36.214%0.1418%0.179CC..Hα-helixtrans-59.6-44.5175.9-70.4-177.5-16.700111.5Y586 T589 F591 S592 E593 C598 L599Y586-Q595 HydrophobicContact CD2-CB 3.96Å; Y586-Q595 HydrophobicContact CD2-CG 4.17Å; Y586-Q595 HydrophobicContact CE2-CB 3.92Å; Y586-Q595 HydrophobicContact CE2-CG 4.23Å; T589-Q595 HydrophobicContact CG2-CB 4.46Å; T589-Q595 HydrophobicContact CG2-CG 3.45Å; T589-Q595 VanDerWaalsContact CG2-CG 3.45Å; T589-Q595 PolarHBondContact O-NE2 3.23Å; F591-Q595 PolarHBondContact O-N 2.87Å; S592-Q595 PolarHBondContact O-N 3.18Å; E593-Q595 VanDerWaalsContact C-N 3.32Å; E593-Q595 PolarHBondContact O-N 2.93Å; Q595-C598 PolarHBondContact O-N 3Å; Q595-L599 WeakPolarHBondContact O-CG 3.49Å; Q595-L599 PolarHBondContact O-N 3.31Å
596R94.6Very high94.5Very high54 Ų5437.5 Ų37.520%0.20418%0.184CC..Hα-helixtrans-66.9-38.4179.4-68.5172.665.688.2-6.3111.9S592 E593 V594 L599 R600 D627 L630S592-R596 WeakPolarHBondContact O-CG 3.31Å; S592-R596 PolarHBondContact O-N 3.28Å; E593-R596 PolarHBondContact O-N 3.19Å; V594-R596 VanDerWaalsContact C-N 3.32Å; V594-R596 PolarHBondContact O-N 3.36Å; R596-L599 PolarHBondContact O-N 3.2Å; R596-R600 PolarHBondContact O-N 3.14Å; R596-D627 IonicContact CZ-OD1 2.75Å; R596-D627 IonicContact NH1-OD1 3.96Å; R596-D627 PolarHBondContact NH1-OD1 3.39Å; R596-L630 HydrophobicContact CB-CD1 3.65Å; R596-L630 HydrophobicContact CG-CD1 3.54Å
597D96.2Very high94.5Very high15 Ų1539.2 Ų39.28%0.0819%0.194CC..Hα-helixtrans-60.2-46.3173.1-68.8-22.3000111.2R563 A564 F567 E593 V594 R600 A601R563-D597 IonicContact CZ-OD2 3.87Å; R563-D597 VanDerWaalsContact CZ-OD2 3.3Å; R563-D597 IonicContact NE-OD2 2.71Å; R563-D597 PolarHBondContact NE-OD2 2.81Å; R563-D597 IonicContact NH2-OD2 2.67Å; R563-D597 PolarHBondContact NH2-OD2 2.92Å; A564-D597 HydrophobicContact CB-CB 4.39Å; A564-D597 WeakPolarHBondContact CB-OD1 2.68Å; F567-D597 HydrophobicContact CD2-CB 4.14Å; E593-D597 PolarHBondContact O-N 2.99Å; V594-D597 PolarHBondContact O-N 3.3Å; D597-R600 PolarHBondContact O-N 2.77Å; D597-A601 VanDerWaalsContact O-CB 3.24Å; D597-A601 WeakPolarHBondContact O-CB 3.34Å; D597-A601 PolarHBondContact O-N 3.12Å
598C97.7Very high94.5Very high0 Ų039 Ų390%019%0.19CC..Hα-helixtrans-60.6-46.6175.9-65.90000112.1I582 Y586 V594 Q595 R600 A601 M602I582-C598 HydrophobicContact CG2-CB 3.83Å; Y586-C598 HydrophobicContact CD2-CB 4.28Å; V594-C598 PolarHBondContact O-N 3.41Å; V594-C598 PolarHBondContact O-SG 3.38Å; Q595-C598 PolarHBondContact O-N 3Å; C598-R600 PolarHBondContact O-N 2.94Å; C598-A601 PolarHBondContact O-N 3.16Å; C598-M602 WeakPolarHBondContact O-CB 3.41Å; C598-M602 WeakPolarHBondContact O-CG 3.44Å; C598-M602 PolarHBondContact O-N 3.27Å
599L96.7Very high94.7Very high1 Ų136.8 Ų36.81%0.00518%0.182CC..Hα-helixtrans-60.2-44.3-179.8-71.4173.7000112Y586 Q595 R596 M602 F617 V623 D627 L630 V631Y586-L599 HydrophobicContact CD2-CD2 4.25Å; Y586-L599 HydrophobicContact CD2-CG 4.12Å; Y586-L599 HydrophobicContact CE2-CD1 3.96Å; Y586-L599 HydrophobicContact CE2-CD2 3.8Å; Y586-L599 HydrophobicContact CE2-CG 3.74Å; Q595-L599 WeakPolarHBondContact O-CG 3.49Å; Q595-L599 PolarHBondContact O-N 3.31Å; R596-L599 PolarHBondContact O-N 3.2Å; L599-M602 HydrophobicContact CD2-CE 3.8Å; L599-M602 HydrophobicContact CG-CE 4.48Å; L599-F617 HydrophobicContact CD2-CE1 4.23Å; L599-V623 HydrophobicContact CD1-CG1 4.17Å; L599-V623 HydrophobicContact CD2-CG1 4Å; L599-V623 HydrophobicContact CD2-CG2 3.76Å; L599-D627 HydrophobicContact CD1-CB 3.61Å; L599-L630 HydrophobicContact CB-CB 4.22Å; L599-L630 HydrophobicContact CD1-CD1 4.35Å; L599-V631 HydrophobicContact CB-CG2 3.94Å; L599-V631 HydrophobicContact CD2-CG2 3.89Å; L599-V631 HydrophobicContact CG-CG2 4.46Å
600R95.6Very high94.9Very high86 Ų8635.5 Ų35.533%0.32517%0.174SC..Hα-helixtrans-66-43.7176.5-175.2178.3-72.7152.4-7111.7R596 D597 C598 G603 C604 G634R596-R600 PolarHBondContact O-N 3.14Å; D597-R600 PolarHBondContact O-N 2.77Å; C598-R600 PolarHBondContact O-N 2.94Å; R600-G603 PolarHBondContact O-N 3Å; R600-C604 PolarHBondContact O-SG 3.44Å; R600-G634 WeakPolarHBondContact O-CA 3.47Å
601A97.6Very high95.3Very high0 Ų029 Ų290%013%0.134CC..Hα-helixtrans-61.7-45179.600000112.4F567 C571 D597 C598 G603 C604F567-A601 VanDerWaalsContact C-CB 3.45Å; F567-A601 HydrophobicContact CB-CB 3.52Å; C571-A601 HydrophobicContact CB-CB 4.47Å; C571-A601 WeakPolarHBondContact CB-O 3.5Å; D597-A601 VanDerWaalsContact O-CB 3.24Å; D597-A601 WeakPolarHBondContact O-CB 3.34Å; D597-A601 PolarHBondContact O-N 3.12Å; C598-A601 PolarHBondContact O-N 3.16Å; A601-G603 PolarHBondContact O-N 2.91Å; A601-C604 VanDerWaalsContact O-CB 3.32Å; A601-C604 WeakPolarHBondContact O-CB 3.3Å; A601-C604 PolarHBondContact O-N 3.38Å
602M96.8Very high95.6Very high0 Ų033.2 Ų33.20%015%0.154CC..Hα-helixtrans-56.7-34.1178.7-77-172.5-70.900112.8F579 I582 L583 C598 L599 C604 L614 F617F579-M602 HydrophobicContact CD2-CB 4.3Å; F579-M602 HydrophobicContact CD2-CG 3.93Å; F579-M602 HydrophobicContact CD2-SD 4.27Å; F579-M602 HydrophobicContact CE2-CB 3.94Å; F579-M602 HydrophobicContact CE2-CG 3.73Å; F579-M602 HydrophobicContact CE2-SD 3.65Å; F579-M602 HydrophobicContact CZ-SD 4.02Å; I582-M602 HydrophobicContact CG2-CG 3.73Å; I582-M602 HydrophobicContact CG2-SD 4.36Å; L583-M602 HydrophobicContact CB-SD 4.42Å; L583-M602 HydrophobicContact CD1-SD 4.22Å; C598-M602 WeakPolarHBondContact O-CB 3.41Å; C598-M602 WeakPolarHBondContact O-CG 3.44Å; C598-M602 PolarHBondContact O-N 3.27Å; L599-M602 HydrophobicContact CD2-CE 3.8Å; L599-M602 HydrophobicContact CG-CE 4.48Å; M602-C604 VanDerWaalsContact C-N 3.28Å; M602-C604 PolarHBondContact O-N 3.38Å; M602-L614 HydrophobicContact CB-CD1 4.17Å; M602-F617 HydrophobicContact CE-CE1 3.88Å; M602-F617 HydrophobicContact SD-CE1 4.45Å
603G94.9Very high95.9Very high0 Ų035.4 Ų35.40%016%0.161CC..Hα-helixtrans-68.5-22174.800000114.2R600 A601 S605 G634 M635R600-G603 PolarHBondContact O-N 3Å; A601-G603 PolarHBondContact O-N 2.91Å; G603-S605 VanDerWaalsContact C-N 3.25Å; G603-S605 PolarHBondContact O-N 3.47Å; G603-G634 VanDerWaalsContact C-C 3.41Å; G603-G634 CarbonylContact O-C 3.12Å; G603-M635 WeakPolarHBondContact O-CA 3.17Å; G603-M635 WeakPolarHBondContact O-CG 3.4Å; G603-M635 PolarHBondContact O-N 2.82Å
604C95.5Very high96.2Very high0 Ų034 Ų340%015%0.154CC..THydrogen-bonded Turntrans-78.41.2-170.9-65.40000115R600 A601 M602 T638R600-C604 PolarHBondContact O-SG 3.44Å; A601-C604 VanDerWaalsContact O-CB 3.32Å; A601-C604 WeakPolarHBondContact O-CB 3.3Å; A601-C604 PolarHBondContact O-N 3.38Å; M602-C604 VanDerWaalsContact C-N 3.28Å; M602-C604 PolarHBondContact O-N 3.38Å; C604-T638 WeakPolarHBondContact O-CG2 3.25Å
605S96.4Very high96.1Very high0 Ų034.5 Ų34.50%016%0.156CC..  trans-61.1140.7-177.3-175.60000113.2C571 G603 I607 V610 T638C571-S605 WeakPolarHBondContact O-CA 2.95Å; G603-S605 VanDerWaalsContact C-N 3.25Å; G603-S605 PolarHBondContact O-N 3.47Å; S605-I607 PolarHBondContact OG-N 3.29Å; S605-I607 PolarHBondContact OG-O 2.91Å; S605-V610 WeakPolarHBondContact OG-CB 3.44Å; S605-V610 WeakPolarHBondContact OG-CG1 3.5Å; S605-T638 PolarHBondContact O-OG1 3.24Å
606E94.3Very high96.1Very high55 Ų5538.9 Ų38.926%0.25718%0.18SC..  trans-99.91.4168.3-67.8178.4-16800112.4R536 R572 T638R536-E606 IonicContact CZ-OE2 3.36Å; R536-E606 IonicContact NH1-OE2 3.95Å; R536-E606 IonicContact NH2-OE1 3.51Å; R536-E606 IonicContact NH2-OE2 3.71Å; R536-E606 PolarHBondContact NH2-OE2 3.18Å; R572-E606 WeakPolarHBondContact CD-OE1 3.23Å; R572-E606 HydrophobicContact CG-CG 3.94Å; R572-E606 IonicContact CZ-OE1 3.04Å; R572-E606 IonicContact NH1-OE1 3.79Å; R572-E606 PolarHBondContact NH1-OE1 3.05Å; R572-E606 PolarHBondContact O-N 3.45Å; E606-T638 HydrophobicContact CG-CG2 3.59Å
607I96.8Very high96.1Very high53 Ų5337.3 Ų37.327%0.27218%0.175SC..  trans-103.2124.8-174.6-60.6166000109.6G575 S605 E609 V610 L611G575-I607 VanDerWaalsContact CA-CD1 3.43Å; S605-I607 PolarHBondContact OG-N 3.29Å; S605-I607 PolarHBondContact OG-O 2.91Å; I607-E609 HydrophobicContact CG2-CB 4.44Å; I607-E609 PolarHBondContact O-N 3.31Å; I607-V610 HydrophobicContact CB-CB 4.39Å; I607-V610 HydrophobicContact CB-CG2 4.01Å; I607-V610 HydrophobicContact CG2-CG2 4.05Å; I607-V610 WeakPolarHBondContact O-CB 3.36Å; I607-V610 PolarHBondContact O-N 3.39Å; I607-L611 PolarHBondContact O-N 2.88Å
608E96.1Very high95.9Very high106 Ų10636.9 Ų36.950%0.49517%0.172SC..Hα-helixtrans-59-48.9-174.1-177.6151.9-140.100113.1V610 L611 E612 L640 Y644E608-V610 PolarHBondContact O-N 3.17Å; E608-L611 WeakPolarHBondContact O-CA 3.06Å; E608-L611 PolarHBondContact O-N 3.15Å; E608-E612 HydrophobicContact CG-CG 4.45Å; E608-E612 PolarHBondContact O-N 3.39Å; E608-L640 HydrophobicContact CB-CD2 4.03Å; E608-Y644 WeakPolarHBondContact CG-OH 3.49Å; E608-Y644 PolarHBondContact OE1-OH 3.01Å
609E97.7Very high95.4Very high130 Ų13040.4 Ų40.461%0.60719%0.191SC*.Hα-helixtrans-56.2-35.9179.2-63.6171.5165.500112.6V576 I607 K613V576-E609 HydrophobicContact CG2-CB 3.91Å; I607-E609 HydrophobicContact CG2-CB 4.44Å; I607-E609 PolarHBondContact O-N 3.31Å; E609-K613 WeakPolarHBondContact O-CB 3.24Å; E609-K613 PolarHBondContact O-N 3.37Å; E609-K613 VanDerWaalsContact O-N 3.14Å
610V97.8Very high95Very high0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-69.2-42.5176.41760000110.7V576 F579 S605 I607 E608 K613 L614V576-V610 HydrophobicContact CG2-CG2 3.94Å; F579-V610 HydrophobicContact CB-CG1 3.82Å; F579-V610 HydrophobicContact CB-CG2 4.49Å; F579-V610 HydrophobicContact CD2-CG1 3.59Å; F579-V610 HydrophobicContact CE2-CG1 4.4Å; F579-V610 HydrophobicContact CG-CG1 3.86Å; S605-V610 WeakPolarHBondContact OG-CB 3.44Å; S605-V610 WeakPolarHBondContact OG-CG1 3.5Å; I607-V610 HydrophobicContact CB-CB 4.39Å; I607-V610 HydrophobicContact CB-CG2 4.01Å; I607-V610 HydrophobicContact CG2-CG2 4.05Å; I607-V610 WeakPolarHBondContact O-CB 3.36Å; I607-V610 PolarHBondContact O-N 3.39Å; E608-V610 PolarHBondContact O-N 3.17Å; V610-K613 PolarHBondContact O-N 2.91Å; V610-L614 WeakPolarHBondContact O-CB 3.17Å; V610-L614 PolarHBondContact O-N 3.25Å
611L96.5Very high94.3Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-68.2-36.3179.1-67.5173.6000111.8I607 E608 L614 M615 M635 L640 Y644I607-L611 PolarHBondContact O-N 2.88Å; E608-L611 WeakPolarHBondContact O-CA 3.06Å; E608-L611 PolarHBondContact O-N 3.15Å; L611-L614 HydrophobicContact CD2-CD2 4.26Å; L611-L614 WeakPolarHBondContact O-CB 3.43Å; L611-L614 PolarHBondContact O-N 3.34Å; L611-M615 WeakPolarHBondContact O-CG 3.25Å; L611-M615 PolarHBondContact O-N 3.02Å; L611-M635 HydrophobicContact CD2-CG 4.43Å; L611-L640 HydrophobicContact CD1-CB 4.06Å; L611-L640 HydrophobicContact CD1-CD2 3.67Å; L611-L640 HydrophobicContact CD1-CG 3.54Å; L611-Y644 HydrophobicContact CB-CD1 3.92Å; L611-Y644 HydrophobicContact CB-CD2 4.12Å; L611-Y644 HydrophobicContact CB-CE1 4.09Å; L611-Y644 HydrophobicContact CB-CE2 4.29Å; L611-Y644 HydrophobicContact CB-CG 3.95Å; L611-Y644 HydrophobicContact CD1-CD2 3.85Å; L611-Y644 HydrophobicContact CD1-CE2 4.3Å; L611-Y644 HydrophobicContact CD1-CG 4.24Å
612E96Very high93.8Very high104 Ų10447.7 Ų47.749%0.48625%0.245SC..Hα-helixtrans-60.4-46.2171.7-69.5-174.1152.500111.6E608 L614 M615 L616 Y644E608-E612 HydrophobicContact CG-CG 4.45Å; E608-E612 PolarHBondContact O-N 3.39Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 3.18Å; E612-M615 WeakPolarHBondContact O-CB 3.49Å; E612-M615 PolarHBondContact O-N 3.44Å; E612-M615 VanDerWaalsContact O-N 3.14Å; E612-L616 PolarHBondContact O-N 3.21Å; E612-Y644 HydrophobicContact CG-CE1 4.07Å; E612-Y644 WeakPolarHBondContact CG-OH 3.38Å
613K96.3Very high93.5Very high67 Ų6748 Ų4829%0.29125%0.247SC..Hα-helixtrans-64.4-37.5176.2-164.9167.6-175.5156.40112.5V576 F579 E580 E609 V610 M615 L616 F617V576-K613 HydrophobicContact CG1-CD 4.02Å; F579-K613 HydrophobicContact CD1-CD 3.95Å; F579-K613 HydrophobicContact CD1-CG 4.26Å; F579-K613 HydrophobicContact CE1-CB 4.29Å; F579-K613 HydrophobicContact CE1-CD 3.94Å; F579-K613 HydrophobicContact CE1-CG 3.78Å; E580-K613 IonicContact OE1-NZ 2.73Å; E580-K613 PolarHBondContact OE1-NZ 3.49Å; E609-K613 WeakPolarHBondContact O-CB 3.24Å; E609-K613 PolarHBondContact O-N 3.37Å; E609-K613 VanDerWaalsContact O-N 3.14Å; V610-K613 PolarHBondContact O-N 2.91Å; K613-M615 VanDerWaalsContact C-N 3.31Å; K613-M615 PolarHBondContact O-N 3.45Å; K613-L616 PolarHBondContact O-N 2.99Å; K613-F617 PolarHBondContact O-N 3.44Å
614L96.4Very high93.1Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-60.4-40.8172.4177.760.1000111.4F579 M602 V610 L611 E612 L616 F617 L618 V631 M635F579-L614 HydrophobicContact CE2-CB 4.08Å; F579-L614 HydrophobicContact CE2-CD1 4.12Å; F579-L614 HydrophobicContact CZ-CB 4.33Å; F579-L614 HydrophobicContact CZ-CD1 4.44Å; M602-L614 HydrophobicContact CB-CD1 4.17Å; V610-L614 WeakPolarHBondContact O-CB 3.17Å; V610-L614 PolarHBondContact O-N 3.25Å; L611-L614 HydrophobicContact CD2-CD2 4.26Å; L611-L614 WeakPolarHBondContact O-CB 3.43Å; L611-L614 PolarHBondContact O-N 3.34Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 3.18Å; L614-L616 VanDerWaalsContact C-N 3.33Å; L614-L616 PolarHBondContact O-N 3.29Å; L614-F617 HydrophobicContact CD1-CD1 4.15Å; L614-F617 WeakPolarHBondContact O-CB 3.28Å; L614-F617 PolarHBondContact O-N 3.25Å; L614-L618 HydrophobicContact CD1-CG 4.29Å; L614-L618 HydrophobicContact CG-CD1 4.36Å; L614-L618 HydrophobicContact CG-CG 4.49Å; L614-L618 VanDerWaalsContact O-CG 3.31Å; L614-L618 WeakPolarHBondContact O-CG 3.41Å; L614-L618 PolarHBondContact O-N 3.26Å; L614-V631 HydrophobicContact CD1-CG1 3.84Å; L614-V631 HydrophobicContact CD2-CG1 3.75Å; L614-V631 HydrophobicContact CG-CG1 4.14Å; L614-M635 HydrophobicContact CD2-CG 4.22Å; L614-M635 HydrophobicContact CD2-SD 4.06Å
615M93.9Very high92.6Very high23 Ų2356 Ų5611%0.11328%0.28CS..Hα-helixtrans-60.8-42.9176.6-63.7-5794.500111.9L611 E612 K613 F617 L618 D619 M635 Y644 Y648L611-M615 WeakPolarHBondContact O-CG 3.25Å; L611-M615 PolarHBondContact O-N 3.02Å; E612-M615 WeakPolarHBondContact O-CB 3.49Å; E612-M615 PolarHBondContact O-N 3.44Å; E612-M615 VanDerWaalsContact O-N 3.14Å; K613-M615 VanDerWaalsContact C-N 3.31Å; K613-M615 PolarHBondContact O-N 3.45Å; M615-F617 VanDerWaalsContact C-N 3.33Å; M615-F617 PolarHBondContact O-N 2.8Å; M615-L618 HydrophobicContact CE-CD1 3.76Å; M615-L618 PolarHBondContact O-N 3.33Å; M615-D619 PolarHBondContact O-N 3.15Å; M615-M635 HydrophobicContact CE-CE 4.37Å; M615-M635 HydrophobicContact CE-SD 3.68Å; M615-Y644 HydrophobicContact CG-CD1 3.75Å; M615-Y644 HydrophobicContact CG-CE1 4.26Å; M615-Y644 HydrophobicContact SD-CD1 4.14Å; M615-Y648 HydrophobicContact SD-CD2 3.69Å; M615-Y648 HydrophobicContact SD-CG 4.09Å
616L93.7Very high92Very high123 Ų12359.6 Ų59.664%0.64430%0.296SS*.Hα-helixtrans-63-40.4175.9-64.4173.6000111.8E612 K613 L614 D619 S620E612-L616 PolarHBondContact O-N 3.21Å; K613-L616 PolarHBondContact O-N 2.99Å; L614-L616 VanDerWaalsContact C-N 3.33Å; L614-L616 PolarHBondContact O-N 3.29Å; L616-D619 PolarHBondContact O-N 3.11Å; L616-S620 PolarHBondContact O-N 3.33Å
617F94.3Very high91.7Very high21 Ų2157.4 Ų57.49%0.09229%0.287CS..Hα-helixtrans-62.4-43.1175.4173.6-117.6000111.9L583 Y586 L599 M602 K613 L614 M615 D619 S620 A622 V623L583-F617 HydrophobicContact CD1-CD1 4.42Å; L583-F617 HydrophobicContact CD1-CD2 3.85Å; L583-F617 HydrophobicContact CD1-CE1 4.12Å; L583-F617 HydrophobicContact CD1-CE2 3.51Å; L583-F617 HydrophobicContact CD1-CG 4.29Å; L583-F617 HydrophobicContact CD1-CZ 3.66Å; Y586-F617 HydrophobicContact CD1-CZ 4.02Å; Y586-F617 HydrophobicContact CE1-CE2 4.45Å; Y586-F617 AromaticContact CE1-CZ 3.71Å; Y586-F617 HydrophobicContact CE1-CZ 3.71Å; L599-F617 HydrophobicContact CD2-CE1 4.23Å; M602-F617 HydrophobicContact CE-CE1 3.88Å; M602-F617 HydrophobicContact SD-CE1 4.45Å; K613-F617 PolarHBondContact O-N 3.44Å; L614-F617 HydrophobicContact CD1-CD1 4.15Å; L614-F617 WeakPolarHBondContact O-CB 3.28Å; L614-F617 PolarHBondContact O-N 3.25Å; M615-F617 VanDerWaalsContact C-N 3.33Å; M615-F617 PolarHBondContact O-N 2.8Å; F617-D619 VanDerWaalsContact C-N 3.27Å; F617-D619 PolarHBondContact O-N 2.78Å; F617-S620 WeakPolarHBondContact O-CB 3.45Å; F617-S620 PolarHBondContact O-N 3.23Å; F617-S620 PolarHBondContact O-OG 2.83Å; F617-A622 HydrophobicContact CD2-CB 4.37Å; F617-A622 HydrophobicContact CE2-CB 3.62Å; F617-A622 HydrophobicContact CZ-CB 4.18Å; F617-V623 HydrophobicContact CD1-CG2 4.09Å; F617-V623 HydrophobicContact CE1-CG2 3.33Å; F617-V623 HydrophobicContact CZ-CG2 3.63Å
618L92.2Very high91.4Very high5 Ų555.2 Ų55.23%0.02628%0.276CS..Hα-helixtrans-63.6-33.8176.5-65.6175.8000112.6L614 M615 S620 E621 V623 L628 V631 Y648L614-L618 HydrophobicContact CD1-CG 4.29Å; L614-L618 HydrophobicContact CG-CD1 4.36Å; L614-L618 HydrophobicContact CG-CG 4.49Å; L614-L618 VanDerWaalsContact O-CG 3.31Å; L614-L618 WeakPolarHBondContact O-CG 3.41Å; L614-L618 PolarHBondContact O-N 3.26Å; M615-L618 HydrophobicContact CE-CD1 3.76Å; M615-L618 PolarHBondContact O-N 3.33Å; L618-S620 VanDerWaalsContact C-N 3.29Å; L618-S620 PolarHBondContact O-N 3.45Å; L618-E621 PolarHBondContact O-N 3.36Å; L618-V623 HydrophobicContact CD2-CB 4.5Å; L618-V623 HydrophobicContact CD2-CG2 3.96Å; L618-L628 HydrophobicContact CD1-CD1 4.48Å; L618-L628 HydrophobicContact CD2-CD1 3.74Å; L618-V631 HydrophobicContact CD1-CG1 4.2Å; L618-V631 HydrophobicContact CD2-CB 4.34Å; L618-V631 HydrophobicContact CD2-CG1 4.17Å; L618-V631 HydrophobicContact CD2-CG2 4.09Å; L618-Y648 HydrophobicContact CB-CD2 4.37Å; L618-Y648 HydrophobicContact CB-CE2 3.49Å; L618-Y648 VanDerWaalsContact CB-CE2 3.49Å; L618-Y648 HydrophobicContact CD1-CD2 4.03Å; L618-Y648 HydrophobicContact CD1-CE1 4.47Å; L618-Y648 HydrophobicContact CD1-CE2 3.87Å; L618-Y648 HydrophobicContact CD1-CG 4.41Å; L618-Y648 HydrophobicContact CG-CE2 4.34Å
619D88.3Confident90.9Very high74 Ų7451.4 Ų51.440%0.39626%0.258SS..Hα-helixtrans-70-22.9176.1-76-25.1000114.1M615 L616 F617 E621 R652M615-D619 PolarHBondContact O-N 3.15Å; L616-D619 PolarHBondContact O-N 3.11Å; F617-D619 VanDerWaalsContact C-N 3.27Å; F617-D619 PolarHBondContact O-N 2.78Å; D619-E621 PolarHBondContact O-N 3.08Å; D619-E621 VanDerWaalsContact O-N 3.17Å; D619-R652 IonicContact OD1-CZ 3.75Å; D619-R652 IonicContact OD1-NE 3.74Å; D619-R652 PolarHBondContact OD1-NE 3.4Å; D619-R652 IonicContact OD1-NH2 2.69Å; D619-R652 PolarHBondContact OD1-NH2 3.37Å; D619-R652 IonicContact OD2-CZ 3.54Å; D619-R652 IonicContact OD2-NH2 2.99Å; D619-R652 PolarHBondContact OD2-NH2 2.8Å
620S88.8Confident90.6Very high72 Ų7245.3 Ų45.350%0.50323%0.229SC..THydrogen-bonded Turntrans-69.8-6.8177.874.90000114.1L616 F617 L618 A622L616-S620 PolarHBondContact O-N 3.33Å; F617-S620 WeakPolarHBondContact O-CB 3.45Å; F617-S620 PolarHBondContact O-N 3.23Å; F617-S620 PolarHBondContact O-OG 2.83Å; L618-S620 VanDerWaalsContact C-N 3.29Å; L618-S620 PolarHBondContact O-N 3.45Å; S620-A622 PolarHBondContact O-N 3.06Å; S620-A622 WeakPolarHBondContact OG-CB 3.24Å; S620-A622 PolarHBondContact OG-N 3.03Å
621E80.3Confident90.5Very high120 Ų12045.3 Ų45.356%0.56123%0.229SC*.THydrogen-bonded Turntrans59.112.1-173.9-50.4-158135.200115.2L618 D619 V623 R659L618-E621 PolarHBondContact O-N 3.36Å; D619-E621 PolarHBondContact O-N 3.08Å; D619-E621 VanDerWaalsContact O-N 3.17Å; E621-V623 PolarHBondContact O-N 3.04Å; E621-R659 IonicContact OE1-CZ 3.08Å; E621-R659 IonicContact OE1-NE 2.69Å; E621-R659 IonicContact OE1-NH1 3.79Å; E621-R659 PolarHBondContact OE1-NH1 2.76Å
622A87.5Confident90.2Very high48 Ų4845.3 Ų45.340%0.39723%0.229SC..  trans-61.9-27.9174.600000112.8Y586 F617 S620Y586-A622 PolarHBondContact OH-O 3.12Å; F617-A622 HydrophobicContact CD2-CB 4.37Å; F617-A622 HydrophobicContact CE2-CB 3.62Å; F617-A622 HydrophobicContact CZ-CB 4.18Å; S620-A622 PolarHBondContact O-N 3.06Å; S620-A622 WeakPolarHBondContact OG-CB 3.24Å; S620-A622 PolarHBondContact OG-N 3.03Å
623V88.9Confident89.8Confident6 Ų643.2 Ų43.24%0.03622%0.221CC..SBendtrans-81.1120.6175.5-175.30000109.7L599 F617 L618 E621 I625 D627L599-V623 HydrophobicContact CD1-CG1 4.17Å; L599-V623 HydrophobicContact CD2-CG1 4Å; L599-V623 HydrophobicContact CD2-CG2 3.76Å; F617-V623 HydrophobicContact CD1-CG2 4.09Å; F617-V623 HydrophobicContact CE1-CG2 3.33Å; F617-V623 HydrophobicContact CZ-CG2 3.63Å; L618-V623 HydrophobicContact CD2-CB 4.5Å; L618-V623 HydrophobicContact CD2-CG2 3.96Å; E621-V623 PolarHBondContact O-N 3.04Å; V623-I625 PolarHBondContact O-N 2.68Å; V623-D627 HydrophobicContact CG1-CB 4.34Å
624R87.6Confident89.6Confident125 Ų12540 Ų4047%0.47221%0.207SC..  trans-52.8134.2171.2-63.7177.9-179173.9-1.2109.2Q626 D627 L628R624-Q626 HydrophobicContact CB-CG 4.13Å; R624-Q626 PolarHBondContact O-N 3.39Å; R624-Q626 VanDerWaalsContact O-N 3.08Å; R624-D627 PolarHBondContact O-N 3.47Å; R624-L628 PolarHBondContact O-N 3.23Å
625I84.9Confident89.4Confident45 Ų4540 Ų4023%0.23121%0.207CC..G310 helixtrans-57.8-32.5-174.6-167.857.1000112.3V623 D627 L628 L656 R659 Y660V623-I625 PolarHBondContact O-N 2.68Å; I625-D627 PolarHBondContact O-N 3.08Å; I625-L628 HydrophobicContact CD1-CD2 4.03Å; I625-L628 PolarHBondContact O-N 2.99Å; I625-L656 HydrophobicContact CD1-CD2 4.14Å; I625-R659 HydrophobicContact CD1-CB 4.26Å; I625-R659 HydrophobicContact CG1-CB 4.27Å; I625-Y660 HydrophobicContact CD1-CD2 4.42Å; I625-Y660 HydrophobicContact CD1-CE1 4.05Å; I625-Y660 HydrophobicContact CD1-CE2 3.88Å; I625-Y660 HydrophobicContact CG1-CD1 3.93Å; I625-Y660 HydrophobicContact CG1-CE1 3.57Å; I625-Y660 HydrophobicContact CG1-CE2 4.25Å; I625-Y660 HydrophobicContact CG1-CG 4.41Å; I625-Y660 PolarHBondContact O-OH 3.41Å; I625-Y660 VanDerWaalsContact O-OH 3.06Å
626Q83.2Confident89.1Confident74 Ų7439.6 Ų39.635%0.34621%0.206SC..G310 helixtrans-66-21.7176.372.2-170.616.900114.1R624 H629 L667R624-Q626 HydrophobicContact CB-CG 4.13Å; R624-Q626 PolarHBondContact O-N 3.39Å; R624-Q626 VanDerWaalsContact O-N 3.08Å; Q626-H629 PolarHBondContact O-CE1 2.95Å; Q626-H629 PolarHBondContact O-ND1 3.14Å; Q626-L667 HydrophobicContact CB-CD1 4.31Å
627D88.8Confident88.8Confident10 Ų1035.5 Ų35.55%0.05318%0.183CC..G310 helixtrans-103.9-6.3-176.2-64.1-52.9000112.8R596 L599 V623 R624 I625 H629 L630R596-D627 IonicContact CZ-OD1 2.75Å; R596-D627 IonicContact NH1-OD1 3.96Å; R596-D627 PolarHBondContact NH1-OD1 3.39Å; L599-D627 HydrophobicContact CD1-CB 3.61Å; V623-D627 HydrophobicContact CG1-CB 4.34Å; R624-D627 PolarHBondContact O-N 3.47Å; I625-D627 PolarHBondContact O-N 3.08Å; D627-H629 PolarHBondContact O-N 3.4Å; D627-L630 HydrophobicContact CB-CD1 4.16Å; D627-L630 VanDerWaalsContact O-CB 3.3Å; D627-L630 WeakPolarHBondContact O-CB 3.5Å; D627-L630 PolarHBondContact O-N 3.33Å
628L90.1Very high88.5Confident7 Ų734.6 Ų34.64%0.03718%0.179CC..Hα-helixtrans-55.6-36.4179.5177.862.5000112.9L618 R624 I625 L630 V631 M632 Y648 L656L618-L628 HydrophobicContact CD1-CD1 4.48Å; L618-L628 HydrophobicContact CD2-CD1 3.74Å; R624-L628 PolarHBondContact O-N 3.23Å; I625-L628 HydrophobicContact CD1-CD2 4.03Å; I625-L628 PolarHBondContact O-N 2.99Å; L628-L630 PolarHBondContact O-N 3.1Å; L628-V631 PolarHBondContact O-N 2.8Å; L628-M632 PolarHBondContact O-N 2.9Å; L628-Y648 HydrophobicContact CD1-CE1 4.15Å; L628-Y648 HydrophobicContact CD2-CE1 4.25Å; L628-L656 HydrophobicContact CD2-CD2 3.51Å
629H86.6Confident88.2Confident26 Ų2636.9 Ų36.912%0.1220%0.195CC..Hα-helixtrans-60.2-26.9178.471.3-78.8000112.9Q626 D627 M632 L633 T670Q626-H629 PolarHBondContact O-CE1 2.95Å; Q626-H629 PolarHBondContact O-ND1 3.14Å; D627-H629 PolarHBondContact O-N 3.4Å; H629-M632 WeakPolarHBondContact O-CB 3.42Å; H629-M632 PolarHBondContact O-N 3.28Å; H629-L633 WeakPolarHBondContact O-CG 3.48Å; H629-L633 PolarHBondContact O-N 2.77Å; H629-T670 HydrophobicContact CB-CG2 4.23Å
630L91.5Very high88.3Confident1 Ų134.9 Ų34.91%0.00518%0.184CC..Hα-helixtrans-67.8-39.5179.3-61.7173.4000112.3R596 L599 D627 L628 M632 L633 G634R596-L630 HydrophobicContact CB-CD1 3.65Å; R596-L630 HydrophobicContact CG-CD1 3.54Å; L599-L630 HydrophobicContact CB-CB 4.22Å; L599-L630 HydrophobicContact CD1-CD1 4.35Å; D627-L630 HydrophobicContact CB-CD1 4.16Å; D627-L630 VanDerWaalsContact O-CB 3.3Å; D627-L630 WeakPolarHBondContact O-CB 3.5Å; D627-L630 PolarHBondContact O-N 3.33Å; L628-L630 PolarHBondContact O-N 3.1Å; L630-M632 VanDerWaalsContact C-N 3.3Å; L630-L633 HydrophobicContact CD2-CD1 4.46Å; L630-L633 PolarHBondContact O-N 2.73Å; L630-G634 PolarHBondContact O-N 3.39Å
631V94.2Very high88.4Confident0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-64.5-42.2175.7-173.80000109.6L599 L614 L618 L628 L633 G634 M635L599-V631 HydrophobicContact CB-CG2 3.94Å; L599-V631 HydrophobicContact CD2-CG2 3.89Å; L599-V631 HydrophobicContact CG-CG2 4.46Å; L614-V631 HydrophobicContact CD1-CG1 3.84Å; L614-V631 HydrophobicContact CD2-CG1 3.75Å; L614-V631 HydrophobicContact CG-CG1 4.14Å; L618-V631 HydrophobicContact CD1-CG1 4.2Å; L618-V631 HydrophobicContact CD2-CB 4.34Å; L618-V631 HydrophobicContact CD2-CG1 4.17Å; L618-V631 HydrophobicContact CD2-CG2 4.09Å; L628-V631 PolarHBondContact O-N 2.8Å; V631-L633 VanDerWaalsContact C-N 3.35Å; V631-L633 PolarHBondContact O-N 3.11Å; V631-G634 PolarHBondContact O-N 3.49Å; V631-M635 HydrophobicContact CG1-CE 4.19Å; V631-M635 WeakPolarHBondContact O-CG 3.38Å; V631-M635 PolarHBondContact O-N 3.44Å
632M89.9Confident88.8Confident0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-60.1-44.1174.9-61.4-63.8-137.500111.7L628 H629 L630 G634 M635 V636 A645 Y648 F649 V674L628-M632 PolarHBondContact O-N 2.9Å; H629-M632 WeakPolarHBondContact O-CB 3.42Å; H629-M632 PolarHBondContact O-N 3.28Å; L630-M632 VanDerWaalsContact C-N 3.3Å; M632-G634 VanDerWaalsContact C-N 3.27Å; M632-G634 PolarHBondContact O-N 3.39Å; M632-M635 HydrophobicContact CG-CE 4.27Å; M632-M635 PolarHBondContact O-N 3.3Å; M632-M635 VanDerWaalsContact O-N 3.16Å; M632-M635 HydrophobicContact SD-CE 3.16Å; M632-M635 WeakPolarHBondContact SD-CE 3.45Å; M632-V636 WeakPolarHBondContact O-CG1 3.21Å; M632-V636 PolarHBondContact O-N 3.07Å; M632-A645 HydrophobicContact SD-CB 3.91Å; M632-Y648 HydrophobicContact CE-CD1 3.69Å; M632-Y648 HydrophobicContact CE-CE1 4.42Å; M632-F649 HydrophobicContact CE-CB 3.92Å; M632-F649 HydrophobicContact CE-CD2 4.23Å; M632-V674 VanDerWaalsContact C-CG1 3.46Å; M632-V674 HydrophobicContact CB-CB 4.34Å; M632-V674 HydrophobicContact CB-CG1 3.68Å; M632-V674 WeakPolarHBondContact O-CG1 3.29Å
633L89.1Confident88.8Confident60 Ų6029.5 Ų29.531%0.31414%0.142SC..Hα-helixtrans-61.2-34.7176.8-74.4171.2000112.4H629 L630 V631 V636 V674H629-L633 WeakPolarHBondContact O-CG 3.48Å; H629-L633 PolarHBondContact O-N 2.77Å; L630-L633 HydrophobicContact CD2-CD1 4.46Å; L630-L633 PolarHBondContact O-N 2.73Å; V631-L633 VanDerWaalsContact C-N 3.35Å; V631-L633 PolarHBondContact O-N 3.11Å; L633-V636 VanDerWaalsContact O-CG2 3.26Å; L633-V636 WeakPolarHBondContact O-CG2 3.34Å; L633-V674 HydrophobicContact CD2-CG1 4.15Å; L633-V674 HydrophobicContact CD2-CG2 3.66Å; L633-V674 HydrophobicContact CG-CG1 4.47Å; L633-V674 HydrophobicContact CG-CG2 4.34Å
634G92.5Very high88.9Confident0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-65.5-50.117100000112.2R600 G603 L630 V631 M632 V636 K637R600-G634 WeakPolarHBondContact O-CA 3.47Å; G603-G634 VanDerWaalsContact C-C 3.41Å; G603-G634 CarbonylContact O-C 3.12Å; L630-G634 PolarHBondContact O-N 3.39Å; V631-G634 PolarHBondContact O-N 3.49Å; M632-G634 VanDerWaalsContact C-N 3.27Å; M632-G634 PolarHBondContact O-N 3.39Å; G634-V636 VanDerWaalsContact C-N 3.3Å; G634-V636 PolarHBondContact O-N 3.42Å; G634-K637 WeakPolarHBondContact O-CB 3.41Å; G634-K637 PolarHBondContact O-N 3.04Å; G634-K637 VanDerWaalsContact O-N 3.16Å
635M92.2Very high89Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-60-35.7-177.1-74.6-170.2-66.700113.6G603 L611 L614 M615 V631 M632 K637 T638 G641 R642 A645G603-M635 WeakPolarHBondContact O-CA 3.17Å; G603-M635 WeakPolarHBondContact O-CG 3.4Å; G603-M635 PolarHBondContact O-N 2.82Å; L611-M635 HydrophobicContact CD2-CG 4.43Å; L614-M635 HydrophobicContact CD2-CG 4.22Å; L614-M635 HydrophobicContact CD2-SD 4.06Å; M615-M635 HydrophobicContact CE-CE 4.37Å; M615-M635 HydrophobicContact CE-SD 3.68Å; V631-M635 HydrophobicContact CG1-CE 4.19Å; V631-M635 WeakPolarHBondContact O-CG 3.38Å; V631-M635 PolarHBondContact O-N 3.44Å; M632-M635 HydrophobicContact CG-CE 4.27Å; M632-M635 PolarHBondContact O-N 3.3Å; M632-M635 VanDerWaalsContact O-N 3.16Å; M632-M635 HydrophobicContact SD-CE 3.16Å; M632-M635 WeakPolarHBondContact SD-CE 3.45Å; M635-K637 PolarHBondContact O-N 3.01Å; M635-T638 PolarHBondContact O-N 2.9Å; M635-G641 CarbonylContact O-C 3.59Å; M635-G641 WeakPolarHBondContact O-CA 3.46Å; M635-R642 PolarHBondContact O-N 2.96Å; M635-R642 VanDerWaalsContact O-N 3.14Å; M635-A645 HydrophobicContact CB-CB 4Å; M635-A645 HydrophobicContact CE-CB 3.75Å; M635-A645 HydrophobicContact SD-CB 4.25Å
636V86.5Confident89.1Confident14 Ų1422.8 Ų22.89%0.08511%0.114CC..THydrogen-bonded Turntrans-69.6-16.3-178.2-64.50000114.2M632 L633 G634 T638 R642 V674M632-V636 WeakPolarHBondContact O-CG1 3.21Å; M632-V636 PolarHBondContact O-N 3.07Å; L633-V636 VanDerWaalsContact O-CG2 3.26Å; L633-V636 WeakPolarHBondContact O-CG2 3.34Å; G634-V636 VanDerWaalsContact C-N 3.3Å; G634-V636 PolarHBondContact O-N 3.42Å; V636-T638 PolarHBondContact O-N 3.43Å; V636-R642 HydrophobicContact CB-CG 4.1Å; V636-R642 HydrophobicContact CG1-CG 4.25Å; V636-R642 WeakPolarHBondContact O-CG 3.5Å; V636-R642 PolarHBondContact O-NH1 3.34Å; V636-V674 HydrophobicContact CB-CG1 4.27Å; V636-V674 HydrophobicContact CG1-CB 4.49Å; V636-V674 HydrophobicContact CG1-CG1 3.4Å; V636-V674 WeakPolarHBondContact CG1-O 3.49Å; V636-V674 HydrophobicContact CG2-CG1 3.86Å
637K86.8Confident89.3Confident38 Ų3825.1 Ų25.117%0.16512%0.123CC..THydrogen-bonded Turntrans-67.6-14.9175.4-64.8-169.4174.4-167.80112.9Q486 D530 G634 M635Q486-K637 PolarHBondContact NE2-O 2.85Å; D530-K637 IonicContact OD1-NZ 3.42Å; D530-K637 PolarHBondContact OD1-NZ 3.24Å; D530-K637 IonicContact OD2-NZ 4Å; D530-K637 PolarHBondContact OD2-NZ 3.21Å; G634-K637 WeakPolarHBondContact O-CB 3.41Å; G634-K637 PolarHBondContact O-N 3.04Å; G634-K637 VanDerWaalsContact O-N 3.16Å; M635-K637 PolarHBondContact O-N 3.01Å
638T88.2Confident89.4Confident2 Ų225 Ų251%0.01212%0.121CC..SBendtrans-123.7151.1-179.274.80000111.9C604 S605 E606 M635 V636 L640 G641 R642C604-T638 WeakPolarHBondContact O-CG2 3.25Å; S605-T638 PolarHBondContact O-OG1 3.24Å; E606-T638 HydrophobicContact CG-CG2 3.59Å; M635-T638 PolarHBondContact O-N 2.9Å; V636-T638 PolarHBondContact O-N 3.43Å; T638-L640 VanDerWaalsContact C-N 3.31Å; T638-L640 PolarHBondContact O-N 3.46Å; T638-G641 PolarHBondContact O-N 3.46Å; T638-G641 WeakPolarHBondContact OG1-CA 3.33Å; T638-G641 PolarHBondContact OG1-N 3.23Å; T638-R642 WeakPolarHBondContact O-CG 3.36Å; T638-R642 PolarHBondContact O-N 2.98Å; T638-R642 PolarHBondContact O-NH1 3.31Å
639S86.2Confident89.2Confident52 Ų5224.6 Ų24.636%0.36412%0.12SC..Hα-helixtrans-66.1-36.2-179.1600000112.1Q643S639-Q643 PolarHBondContact O-NE2 3.13Å
640L90Very high89.1Confident33 Ų3328 Ų2817%0.17313%0.134CC..Hα-helixtrans-73.9-46.7175.5-17062.4000111E608 L611 T638 R642 Q643 Y644E608-L640 HydrophobicContact CB-CD2 4.03Å; L611-L640 HydrophobicContact CD1-CB 4.06Å; L611-L640 HydrophobicContact CD1-CD2 3.67Å; L611-L640 HydrophobicContact CD1-CG 3.54Å; T638-L640 VanDerWaalsContact C-N 3.31Å; T638-L640 PolarHBondContact O-N 3.46Å; L640-R642 VanDerWaalsContact C-N 3.3Å; L640-R642 PolarHBondContact O-N 2.87Å; L640-Q643 WeakPolarHBondContact O-CA 3.33Å; L640-Q643 WeakPolarHBondContact O-CB 3.41Å; L640-Q643 PolarHBondContact O-N 3.14Å; L640-Y644 HydrophobicContact CD1-CD2 4.26Å; L640-Y644 HydrophobicContact CD1-CE2 3.95Å; L640-Y644 HydrophobicContact CG-CD2 4.18Å; L640-Y644 HydrophobicContact CG-CE2 4.13Å; L640-Y644 WeakPolarHBondContact O-CD2 3.43Å; L640-Y644 PolarHBondContact O-N 3.25Å; L640-Y644 VanDerWaalsContact O-N 3.16Å
641G91.3Very high88.9Confident0 Ų032.9 Ų32.90%016%0.164CC..Hα-helixtrans-57.1-40.2176.700000112.7M635 T638 Q643 Y644 A645M635-G641 CarbonylContact O-C 3.59Å; M635-G641 WeakPolarHBondContact O-CA 3.46Å; T638-G641 PolarHBondContact O-N 3.46Å; T638-G641 WeakPolarHBondContact OG1-CA 3.33Å; T638-G641 PolarHBondContact OG1-N 3.23Å; G641-Q643 VanDerWaalsContact C-N 3.25Å; G641-Q643 PolarHBondContact O-N 3.03Å; G641-Y644 PolarHBondContact O-N 3.47Å; G641-Y644 VanDerWaalsContact O-N 3.13Å; G641-A645 WeakPolarHBondContact O-CB 3.47Å; G641-A645 PolarHBondContact O-N 3.35Å
642R87.9Confident88.7Confident14 Ų1435.5 Ų35.55%0.05317%0.174CC..Hα-helixtrans-56.3-37.4172.6-78.1-166.1-62-78.13.4113.3M635 V636 T638 L640 W646M635-R642 PolarHBondContact O-N 2.96Å; M635-R642 VanDerWaalsContact O-N 3.14Å; V636-R642 HydrophobicContact CB-CG 4.1Å; V636-R642 HydrophobicContact CG1-CG 4.25Å; V636-R642 WeakPolarHBondContact O-CG 3.5Å; V636-R642 PolarHBondContact O-NH1 3.34Å; T638-R642 WeakPolarHBondContact O-CG 3.36Å; T638-R642 PolarHBondContact O-N 2.98Å; T638-R642 PolarHBondContact O-NH1 3.31Å; L640-R642 VanDerWaalsContact C-N 3.3Å; L640-R642 PolarHBondContact O-N 2.87Å; R642-W646 WeakPolarHBondContact O-CB 3.33Å; R642-W646 PolarHBondContact O-N 3.29Å; R642-W646 VanDerWaalsContact O-N 3.17Å
643Q87.8Confident88.5Confident112 Ų11236 Ų3652%0.52318%0.176SC..Hα-helixtrans-69-42.9177.9-62.9175.455.500111S639 L640 G641 K647S639-Q643 PolarHBondContact O-NE2 3.13Å; L640-Q643 WeakPolarHBondContact O-CA 3.33Å; L640-Q643 WeakPolarHBondContact O-CB 3.41Å; L640-Q643 PolarHBondContact O-N 3.14Å; G641-Q643 VanDerWaalsContact C-N 3.25Å; G641-Q643 PolarHBondContact O-N 3.03Å; Q643-K647 VanDerWaalsContact O-CB 3.31Å; Q643-K647 WeakPolarHBondContact O-CB 3.41Å; Q643-K647 PolarHBondContact O-N 3.3Å
644Y91.9Very high88.4Confident15 Ų1540.3 Ų40.36%0.05919%0.193CC..Hα-helixtrans-67.7-43.3177.6-85.2-98000112.5E608 L611 E612 M615 L640 G641 W646 K647 Y648E608-Y644 WeakPolarHBondContact CG-OH 3.49Å; E608-Y644 PolarHBondContact OE1-OH 3.01Å; L611-Y644 HydrophobicContact CB-CD1 3.92Å; L611-Y644 HydrophobicContact CB-CD2 4.12Å; L611-Y644 HydrophobicContact CB-CE1 4.09Å; L611-Y644 HydrophobicContact CB-CE2 4.29Å; L611-Y644 HydrophobicContact CB-CG 3.95Å; L611-Y644 HydrophobicContact CD1-CD2 3.85Å; L611-Y644 HydrophobicContact CD1-CE2 4.3Å; L611-Y644 HydrophobicContact CD1-CG 4.24Å; E612-Y644 HydrophobicContact CG-CE1 4.07Å; E612-Y644 WeakPolarHBondContact CG-OH 3.38Å; M615-Y644 HydrophobicContact CG-CD1 3.75Å; M615-Y644 HydrophobicContact CG-CE1 4.26Å; M615-Y644 HydrophobicContact SD-CD1 4.14Å; L640-Y644 HydrophobicContact CD1-CD2 4.26Å; L640-Y644 HydrophobicContact CD1-CE2 3.95Å; L640-Y644 HydrophobicContact CG-CD2 4.18Å; L640-Y644 HydrophobicContact CG-CE2 4.13Å; L640-Y644 WeakPolarHBondContact O-CD2 3.43Å; L640-Y644 PolarHBondContact O-N 3.25Å; L640-Y644 VanDerWaalsContact O-N 3.16Å; G641-Y644 PolarHBondContact O-N 3.47Å; G641-Y644 VanDerWaalsContact O-N 3.13Å; Y644-W646 VanDerWaalsContact C-N 3.34Å; Y644-W646 PolarHBondContact O-N 3.06Å; Y644-K647 PolarHBondContact O-N 3.22Å; Y644-Y648 WeakPolarHBondContact O-CB 3.42Å; Y644-Y648 PolarHBondContact O-N 3Å
645A89.6Confident88.2Confident0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-56.4-48.2174.500000111.4M632 M635 G641 Y648 F649M632-A645 HydrophobicContact SD-CB 3.91Å; M635-A645 HydrophobicContact CB-CB 4Å; M635-A645 HydrophobicContact CE-CB 3.75Å; M635-A645 HydrophobicContact SD-CB 4.25Å; G641-A645 WeakPolarHBondContact O-CB 3.47Å; G641-A645 PolarHBondContact O-N 3.35Å; A645-Y648 PolarHBondContact O-N 2.91Å; A645-F649 WeakPolarHBondContact O-CB 3.44Å; A645-F649 PolarHBondContact O-N 2.79Å
646W86.6Confident88Confident21 Ų2143.2 Ų43.28%0.0821%0.213CC..Hα-helixtrans-63.8-45.6176175.7-109.1000112.4R642 Y644 Y648 F649 K650 K685 F688 L689R642-W646 WeakPolarHBondContact O-CB 3.33Å; R642-W646 PolarHBondContact O-N 3.29Å; R642-W646 VanDerWaalsContact O-N 3.17Å; Y644-W646 VanDerWaalsContact C-N 3.34Å; Y644-W646 PolarHBondContact O-N 3.06Å; W646-Y648 VanDerWaalsContact C-N 3.31Å; W646-Y648 PolarHBondContact O-N 3Å; W646-F649 HydrophobicContact CZ3-CD1 4.44Å; W646-F649 PolarHBondContact O-N 3.18Å; W646-K650 HydrophobicContact CD2-CB 4.47Å; W646-K650 HydrophobicContact CZ2-CB 4.21Å; W646-K650 HydrophobicContact CZ2-CD 4.09Å; W646-K650 HydrophobicContact CZ2-CG 4.32Å; W646-K650 WeakPolarHBondContact O-CB 3.47Å; W646-K650 PolarHBondContact O-N 3.22Å; W646-K685 HydrophobicContact CD2-CD 3.77Å; W646-K685 VanDerWaalsContact CE2-CD 3.4Å; W646-K685 HydrophobicContact CE3-CD 4.45Å; W646-K685 HydrophobicContact CG-CD 4.06Å; W646-K685 HydrophobicContact CH2-CB 4.24Å; W646-K685 HydrophobicContact CH2-CD 4.45Å; W646-K685 HydrophobicContact CZ2-CB 3.85Å; W646-K685 HydrophobicContact CZ2-CD 3.78Å; W646-K685 HydrophobicContact CZ2-CG 3.89Å; W646-K685 VanDerWaalsContact NE1-CE 3.3Å; W646-F688 HydrophobicContact CH2-CD1 4.05Å; W646-F688 HydrophobicContact CH2-CE1 4.41Å; W646-F688 HydrophobicContact CZ2-CD1 4.02Å; W646-F688 HydrophobicContact CZ2-CE1 4.42Å; W646-L689 HydrophobicContact CH2-CD1 4.27Å; W646-L689 HydrophobicContact CH2-CD2 3.61Å; W646-L689 HydrophobicContact CH2-CG 3.88Å; W646-L689 HydrophobicContact CZ3-CD1 4.42Å; W646-L689 HydrophobicContact CZ3-CD2 3.89Å; W646-L689 HydrophobicContact CZ3-CG 4.38Å
647K88.3Confident88Confident123 Ų12343.3 Ų43.354%0.53522%0.215SC..Hα-helixtrans-57.9-46.9177.9-178.5-178.9177.1-1760110.3Q643 Y644 T651Q643-K647 VanDerWaalsContact O-CB 3.31Å; Q643-K647 WeakPolarHBondContact O-CB 3.41Å; Q643-K647 PolarHBondContact O-N 3.3Å; Y644-K647 PolarHBondContact O-N 3.22Å; K647-T651 WeakPolarHBondContact O-CB 3.05Å; K647-T651 PolarHBondContact O-N 3.11Å; K647-T651 VanDerWaalsContact O-N 3.08Å; K647-T651 PolarHBondContact O-OG1 2.86Å
648Y89.2Confident88Confident6 Ų647 Ų472%0.02424%0.24CC..Hα-helixtrans-59.7-53.5178.3-176.4-92000111.6M615 L618 L628 M632 Y644 A645 W646 T651 R652 L656M615-Y648 HydrophobicContact SD-CD2 3.69Å; M615-Y648 HydrophobicContact SD-CG 4.09Å; L618-Y648 HydrophobicContact CB-CD2 4.37Å; L618-Y648 HydrophobicContact CB-CE2 3.49Å; L618-Y648 VanDerWaalsContact CB-CE2 3.49Å; L618-Y648 HydrophobicContact CD1-CD2 4.03Å; L618-Y648 HydrophobicContact CD1-CE1 4.47Å; L618-Y648 HydrophobicContact CD1-CE2 3.87Å; L618-Y648 HydrophobicContact CD1-CG 4.41Å; L618-Y648 HydrophobicContact CG-CE2 4.34Å; L628-Y648 HydrophobicContact CD1-CE1 4.15Å; L628-Y648 HydrophobicContact CD2-CE1 4.25Å; M632-Y648 HydrophobicContact CE-CD1 3.69Å; M632-Y648 HydrophobicContact CE-CE1 4.42Å; Y644-Y648 WeakPolarHBondContact O-CB 3.42Å; Y644-Y648 PolarHBondContact O-N 3Å; A645-Y648 PolarHBondContact O-N 2.91Å; W646-Y648 VanDerWaalsContact C-N 3.31Å; W646-Y648 PolarHBondContact O-N 3Å; Y648-T651 PolarHBondContact O-N 3.34Å; Y648-R652 VanDerWaalsContact CE2-NE 3.29Å; Y648-R652 WeakPolarHBondContact O-CB 3.09Å; Y648-R652 PolarHBondContact O-N 2.97Å; Y648-R652 VanDerWaalsContact O-N 3.13Å; Y648-L656 HydrophobicContact CE1-CD1 4.39Å
649F86.3Confident88Confident0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-61.9-48-178.5-170.2-97000111.6M632 A645 W646 T651 R652 M653 L656 F668 C671 L672 S675M632-F649 HydrophobicContact CE-CB 3.92Å; M632-F649 HydrophobicContact CE-CD2 4.23Å; A645-F649 WeakPolarHBondContact O-CB 3.44Å; A645-F649 PolarHBondContact O-N 2.79Å; W646-F649 HydrophobicContact CZ3-CD1 4.44Å; W646-F649 PolarHBondContact O-N 3.18Å; F649-T651 VanDerWaalsContact C-N 3.33Å; F649-T651 PolarHBondContact O-N 3.38Å; F649-R652 CarbonylContact O-C 3.54Å; F649-R652 PolarHBondContact O-N 3.18Å; F649-M653 HydrophobicContact CD1-CE 4Å; F649-M653 HydrophobicContact CE1-CE 3.69Å; F649-M653 HydrophobicContact CE1-CG 4.16Å; F649-M653 HydrophobicContact CZ-CG 4.45Å; F649-M653 WeakPolarHBondContact O-CA 3.4Å; F649-M653 WeakPolarHBondContact O-CB 3.2Å; F649-M653 PolarHBondContact O-N 2.62Å; F649-L656 HydrophobicContact CD2-CD1 3.72Å; F649-L656 HydrophobicContact CE2-CD1 3.99Å; F649-F668 HydrophobicContact CE1-CZ 4.36Å; F649-F668 HydrophobicContact CE2-CD2 4.49Å; F649-F668 HydrophobicContact CE2-CE2 4.16Å; F649-F668 HydrophobicContact CE2-CZ 4.33Å; F649-F668 HydrophobicContact CZ-CD2 4.44Å; F649-F668 AromaticContact CZ-CE1 3.93Å; F649-F668 HydrophobicContact CZ-CE1 3.93Å; F649-F668 AromaticContact CZ-CE2 3.82Å; F649-F668 HydrophobicContact CZ-CE2 3.82Å; F649-F668 AromaticContact CZ-CZ 3.55Å; F649-F668 HydrophobicContact CZ-CZ 3.55Å; F649-C671 HydrophobicContact CD2-CB 4.02Å; F649-C671 HydrophobicContact CE2-CB 3.77Å; F649-L672 HydrophobicContact CD1-CD1 4.25Å; F649-L672 HydrophobicContact CE1-CB 3.86Å; F649-L672 HydrophobicContact CE1-CD1 3.51Å; F649-L672 HydrophobicContact CE1-CG 4.25Å; F649-L672 HydrophobicContact CE2-CB 4.21Å; F649-L672 HydrophobicContact CZ-CB 3.52Å; F649-L672 HydrophobicContact CZ-CD1 4.09Å; F649-L672 HydrophobicContact CZ-CG 4.35Å; F649-S675 WeakPolarHBondContact CB-OG 3.5Å; F649-S675 WeakPolarHBondContact CG-OG 3.48Å
650K84.3Confident87.8Confident96 Ų9649.6 Ų49.642%0.41724%0.242SC..Hα-helixtrans-56.4-46.5179.4-178.9178179.9-171.60111.8W646 R652 F688W646-K650 HydrophobicContact CD2-CB 4.47Å; W646-K650 HydrophobicContact CZ2-CB 4.21Å; W646-K650 HydrophobicContact CZ2-CD 4.09Å; W646-K650 HydrophobicContact CZ2-CG 4.32Å; W646-K650 WeakPolarHBondContact O-CB 3.47Å; W646-K650 PolarHBondContact O-N 3.22Å; K650-R652 VanDerWaalsContact C-N 3.34Å; K650-F688 HydrophobicContact CB-CE1 4.44Å; K650-F688 HydrophobicContact CD-CE1 4.28Å; K650-F688 HydrophobicContact CD-CZ 4.3Å; K650-F688 HydrophobicContact CG-CD1 4.43Å; K650-F688 HydrophobicContact CG-CE1 3.62Å; K650-F688 HydrophobicContact CG-CE2 4.41Å; K650-F688 HydrophobicContact CG-CZ 3.62Å
651T88.8Confident87.5Confident104 Ų10450.4 Ų50.464%0.63826%0.259SS*.Hα-helixtrans-72-28.7-176.7-55.80000112.3K647 Y648 F649K647-T651 WeakPolarHBondContact O-CB 3.05Å; K647-T651 PolarHBondContact O-N 3.11Å; K647-T651 VanDerWaalsContact O-N 3.08Å; K647-T651 PolarHBondContact O-OG1 2.86Å; Y648-T651 PolarHBondContact O-N 3.34Å; F649-T651 VanDerWaalsContact C-N 3.33Å; F649-T651 PolarHBondContact O-N 3.38Å
652R89Confident87Confident55 Ų5551.7 Ų51.721%0.20827%0.272CS..Hα-helixtrans-109.66.8-174.1-68.6164.9-172.375.11.5114.6D619 Y648 F649 K650 K654 S655 L656D619-R652 IonicContact OD1-CZ 3.75Å; D619-R652 IonicContact OD1-NE 3.74Å; D619-R652 PolarHBondContact OD1-NE 3.4Å; D619-R652 IonicContact OD1-NH2 2.69Å; D619-R652 PolarHBondContact OD1-NH2 3.37Å; D619-R652 IonicContact OD2-CZ 3.54Å; D619-R652 IonicContact OD2-NH2 2.99Å; D619-R652 PolarHBondContact OD2-NH2 2.8Å; Y648-R652 VanDerWaalsContact CE2-NE 3.29Å; Y648-R652 WeakPolarHBondContact O-CB 3.09Å; Y648-R652 PolarHBondContact O-N 2.97Å; Y648-R652 VanDerWaalsContact O-N 3.13Å; F649-R652 CarbonylContact O-C 3.54Å; F649-R652 PolarHBondContact O-N 3.18Å; K650-R652 VanDerWaalsContact C-N 3.34Å; R652-K654 VanDerWaalsContact C-N 3.29Å; R652-K654 PolarHBondContact O-N 2.85Å; R652-K654 VanDerWaalsContact O-N 3.12Å; R652-S655 PolarHBondContact O-N 3.26Å; R652-L656 HydrophobicContact CB-CD1 4.17Å; R652-L656 HydrophobicContact CB-CG 4.12Å; R652-L656 WeakPolarHBondContact O-CG 3.43Å; R652-L656 PolarHBondContact O-N 3.07Å
653M85.9Confident86.6Confident10 Ų1052.4 Ų52.45%0.04928%0.278CS..Hα-helixtrans-50.4-45.2-171.2-170.7-177.4-65.900113.6F649 A657 F668 F688 L689 Y692F649-M653 HydrophobicContact CD1-CE 4Å; F649-M653 HydrophobicContact CE1-CE 3.69Å; F649-M653 HydrophobicContact CE1-CG 4.16Å; F649-M653 HydrophobicContact CZ-CG 4.45Å; F649-M653 WeakPolarHBondContact O-CA 3.4Å; F649-M653 WeakPolarHBondContact O-CB 3.2Å; F649-M653 PolarHBondContact O-N 2.62Å; M653-A657 VanDerWaalsContact O-CB 3.32Å; M653-A657 WeakPolarHBondContact O-CB 3.49Å; M653-A657 PolarHBondContact O-N 3.23Å; M653-F668 HydrophobicContact CG-CE2 4.32Å; M653-F668 HydrophobicContact CG-CZ 3.87Å; M653-F688 HydrophobicContact CE-CD1 4.31Å; M653-F688 HydrophobicContact CE-CE1 3.52Å; M653-F688 HydrophobicContact CE-CZ 4.33Å; M653-L689 HydrophobicContact CE-CD2 3.99Å; M653-Y692 WeakPolarHBondContact SD-CB 3.42Å; M653-Y692 HydrophobicContact SD-CD2 4.21Å; M653-Y692 HydrophobicContact SD-CG 3.87Å
654K87Confident85.8Confident152 Ų15250.6 Ų50.666%0.66127%0.269SS*.Hα-helixtrans-63.9-47.1178.1-69.5-174.9179.3-177.70112.2R652 A657 T658R652-K654 VanDerWaalsContact C-N 3.29Å; R652-K654 PolarHBondContact O-N 2.85Å; R652-K654 VanDerWaalsContact O-N 3.12Å; K654-A657 PolarHBondContact O-N 3.43Å; K654-T658 PolarHBondContact O-N 3.36Å; K654-T658 PolarHBondContact O-OG1 3.12Å
655S88.7Confident84.9Confident59 Ų5954.5 Ų54.541%0.41328%0.283SS..Hα-helixtrans-61.9-45.4178.1176.10000111.1R652 A657 T658 R659R652-S655 PolarHBondContact O-N 3.26Å; S655-A657 PolarHBondContact O-N 2.89Å; S655-T658 PolarHBondContact O-N 3.22Å; S655-R659 WeakPolarHBondContact O-CB 2.94Å; S655-R659 WeakPolarHBondContact O-CG 3.2Å; S655-R659 PolarHBondContact O-N 2.85Å
656L87.1Confident84.1Confident2 Ų258 Ų581%0.0131%0.306CS..Hα-helixtrans-61.4-45.6176.3-67.7175.4000111.3I625 L628 Y648 F649 R652 T658 R659 Y660 F668I625-L656 HydrophobicContact CD1-CD2 4.14Å; L628-L656 HydrophobicContact CD2-CD2 3.51Å; Y648-L656 HydrophobicContact CE1-CD1 4.39Å; F649-L656 HydrophobicContact CD2-CD1 3.72Å; F649-L656 HydrophobicContact CE2-CD1 3.99Å; R652-L656 HydrophobicContact CB-CD1 4.17Å; R652-L656 HydrophobicContact CB-CG 4.12Å; R652-L656 WeakPolarHBondContact O-CG 3.43Å; R652-L656 PolarHBondContact O-N 3.07Å; L656-T658 VanDerWaalsContact C-N 3.29Å; L656-T658 PolarHBondContact O-N 3.39Å; L656-R659 PolarHBondContact O-N 3.36Å; L656-Y660 HydrophobicContact CB-CD2 4.3Å; L656-Y660 HydrophobicContact CB-CE2 4.37Å; L656-Y660 HydrophobicContact CD2-CE2 4.28Å; L656-Y660 WeakPolarHBondContact O-CB 3.16Å; L656-Y660 WeakPolarHBondContact O-CD2 3.48Å; L656-Y660 PolarHBondContact O-N 3.02Å; L656-F668 HydrophobicContact CB-CD2 4.16Å; L656-F668 HydrophobicContact CB-CE2 4.07Å
657A86.4Confident83.6Confident16 Ų1659.2 Ų59.213%0.13231%0.314CS..Hα-helixtrans-58-43.1177.100000111.3M653 K654 S655 G661 G662 T663 F668M653-A657 VanDerWaalsContact O-CB 3.32Å; M653-A657 WeakPolarHBondContact O-CB 3.49Å; M653-A657 PolarHBondContact O-N 3.23Å; K654-A657 PolarHBondContact O-N 3.43Å; S655-A657 PolarHBondContact O-N 2.89Å; A657-G661 PolarHBondContact O-N 3.34Å; A657-G662 WeakPolarHBondContact O-CA 3.37Å; A657-G662 PolarHBondContact O-N 3.47Å; A657-T663 HydrophobicContact CB-CG2 3.76Å; A657-F668 HydrophobicContact CB-CD2 4.21Å; A657-F668 HydrophobicContact CB-CE2 3.74Å; A657-F668 HydrophobicContact CB-CZ 4.27Å
658T88.5Confident83.3Confident114 Ų11453.4 Ų53.470%0.69929%0.288SS*.Hα-helixtrans-64.4-49175-57.40000111.8K654 S655 L656 Y660 G661K654-T658 PolarHBondContact O-N 3.36Å; K654-T658 PolarHBondContact O-OG1 3.12Å; S655-T658 PolarHBondContact O-N 3.22Å; L656-T658 VanDerWaalsContact C-N 3.29Å; L656-T658 PolarHBondContact O-N 3.39Å; T658-Y660 VanDerWaalsContact C-N 3.31Å; T658-Y660 PolarHBondContact O-N 3.24Å; T658-G661 PolarHBondContact O-N 3.48Å
659R86.9Confident82.7Confident84 Ų8453.2 Ų53.232%0.31729%0.288SS..Hα-helixtrans-63.7-34-177.3-74.7-179.362.4178.9-5.4113.3E621 I625 S655 L656 G661E621-R659 IonicContact OE1-CZ 3.08Å; E621-R659 IonicContact OE1-NE 2.69Å; E621-R659 IonicContact OE1-NH1 3.79Å; E621-R659 PolarHBondContact OE1-NH1 2.76Å; I625-R659 HydrophobicContact CD1-CB 4.26Å; I625-R659 HydrophobicContact CG1-CB 4.27Å; S655-R659 WeakPolarHBondContact O-CB 2.94Å; S655-R659 WeakPolarHBondContact O-CG 3.2Å; S655-R659 PolarHBondContact O-N 2.85Å; L656-R659 PolarHBondContact O-N 3.36Å; R659-G661 VanDerWaalsContact C-N 3.31Å
660Y82.6Confident82.3Confident25 Ų2555.4 Ų55.410%0.09830%0.301CS..Hα-helixtrans-79.6-13.3174.3-75.9-64.8000113.2I625 L656 T658 R665 L667 F668 C671I625-Y660 HydrophobicContact CD1-CD2 4.42Å; I625-Y660 HydrophobicContact CD1-CE1 4.05Å; I625-Y660 HydrophobicContact CD1-CE2 3.88Å; I625-Y660 HydrophobicContact CG1-CD1 3.93Å; I625-Y660 HydrophobicContact CG1-CE1 3.57Å; I625-Y660 HydrophobicContact CG1-CE2 4.25Å; I625-Y660 HydrophobicContact CG1-CG 4.41Å; I625-Y660 PolarHBondContact O-OH 3.41Å; I625-Y660 VanDerWaalsContact O-OH 3.06Å; L656-Y660 HydrophobicContact CB-CD2 4.3Å; L656-Y660 HydrophobicContact CB-CE2 4.37Å; L656-Y660 HydrophobicContact CD2-CE2 4.28Å; L656-Y660 WeakPolarHBondContact O-CB 3.16Å; L656-Y660 WeakPolarHBondContact O-CD2 3.48Å; L656-Y660 PolarHBondContact O-N 3.02Å; T658-Y660 VanDerWaalsContact C-N 3.31Å; T658-Y660 PolarHBondContact O-N 3.24Å; Y660-R665 VanDerWaalsContact O-CG 3.29Å; Y660-R665 WeakPolarHBondContact O-CG 3.12Å; Y660-L667 HydrophobicContact CD1-CB 3.68Å; Y660-L667 HydrophobicContact CD1-CD1 4.34Å; Y660-L667 HydrophobicContact CE1-CB 3.31Å; Y660-L667 HydrophobicContact CE1-CD1 3.97Å; Y660-L667 HydrophobicContact CE1-CG 4.28Å; Y660-F668 HydrophobicContact CD2-CB 3.79Å; Y660-F668 AromaticContact CD2-CD2 3.95Å; Y660-F668 HydrophobicContact CD2-CD2 3.95Å; Y660-F668 HydrophobicContact CD2-CG 4.38Å; Y660-F668 HydrophobicContact CE2-CB 4.44Å; Y660-F668 HydrophobicContact CG-CB 4.05Å; Y660-C671 PolarHBondContact OH-SG 3.47Å
661G83.2Confident82.1Confident50 Ų5050.8 Ų50.852%0.51528%0.281SS..THydrogen-bonded Turntrans8228.4-175.800000113.8A657 T658 R659 R665A657-G661 PolarHBondContact O-N 3.34Å; T658-G661 PolarHBondContact O-N 3.48Å; R659-G661 VanDerWaalsContact C-N 3.31Å; G661-R665 PolarHBondContact O-NE 3.13Å
662G80.5Confident81.8Confident28 Ų2846.2 Ų46.229%0.28925%0.253SS..SBendtrans131.8158.6172.800000113.9A657 K664 R665A657-G662 WeakPolarHBondContact O-CA 3.37Å; A657-G662 PolarHBondContact O-N 3.47Å; G662-K664 VanDerWaalsContact C-N 3.25Å; G662-K664 PolarHBondContact O-N 3.21Å; G662-R665 WeakPolarHBondContact O-CB 3.08Å; G662-R665 WeakPolarHBondContact O-CG 3.44Å; G662-R665 PolarHBondContact O-N 3.22Å
663T79.6Confident81Confident29 Ų2945.4 Ų45.418%0.17825%0.251CS..THydrogen-bonded Turntrans-70.6-21.5177.254.80000112.8A657 R665 F668 Q669A657-T663 HydrophobicContact CB-CG2 3.76Å; T663-R665 PolarHBondContact O-N 3.34Å; T663-F668 HydrophobicContact CG2-CD1 4.46Å; T663-F668 HydrophobicContact CG2-CE1 3.85Å; T663-F668 HydrophobicContact CG2-CZ 3.87Å; T663-F668 VanDerWaalsContact O-CD1 3.24Å; T663-F668 WeakPolarHBondContact O-CD1 3.17Å; T663-Q669 PolarHBondContact O-NE2 3.16Å
664K70.8Confident80.5Confident74 Ų7445.5 Ų45.532%0.32225%0.252SS..THydrogen-bonded Turntrans-75.3-11.9178.4-65.3-168.3170.3-146.10114T178 E182 G662T178-K664 HydrophobicContact CG2-CD 3.9Å; T178-K664 PolarHBondContact OG1-NZ 2.75Å; E182-K664 IonicContact OE1-NZ 2.66Å; E182-K664 PolarHBondContact OE1-NZ 2.76Å; E182-K664 VanDerWaalsContact OE1-NZ 3.14Å; G662-K664 VanDerWaalsContact C-N 3.25Å; G662-K664 PolarHBondContact O-N 3.21Å
665R74.3Confident80Confident97 Ų9738.3 Ų38.337%0.36622%0.222SC..SBendtrans-68.6136.6-172.6-64.6-74.3-172.1-166.67.7110.8E181 Y660 G661 G662 T663 L667 F668 Q669E181-R665 IonicContact OE1-CZ 3.35Å; E181-R665 IonicContact OE1-NH1 2.71Å; E181-R665 PolarHBondContact OE1-NH1 2.55Å; E181-R665 IonicContact OE2-CZ 2.55Å; E181-R665 IonicContact OE2-NH1 2.65Å; E181-R665 PolarHBondContact OE2-NH1 3.22Å; Y660-R665 VanDerWaalsContact O-CG 3.29Å; Y660-R665 WeakPolarHBondContact O-CG 3.12Å; G661-R665 PolarHBondContact O-NE 3.13Å; G662-R665 WeakPolarHBondContact O-CB 3.08Å; G662-R665 WeakPolarHBondContact O-CG 3.44Å; G662-R665 PolarHBondContact O-N 3.22Å; T663-R665 PolarHBondContact O-N 3.34Å; R665-L667 VanDerWaalsContact C-N 3.32Å; R665-L667 PolarHBondContact O-N 2.86Å; R665-F668 HydrophobicContact CB-CB 4.5Å; R665-F668 WeakPolarHBondContact O-CB 3.06Å; R665-F668 PolarHBondContact O-N 3.33Å; R665-Q669 PolarHBondContact O-N 3.17Å
666P71.4Confident79Confident74 Ų7435.6 Ų35.648%0.48120%0.202SC..Hα-helixtrans-52.2-45.8-174.3-30.435.1000113.8F668 Q669 T670P666-F668 PolarHBondContact O-N 2.91Å; P666-Q669 CarbonylContact O-C 3.59Å; P666-Q669 WeakPolarHBondContact O-CA 3.44Å; P666-Q669 WeakPolarHBondContact O-CB 3.13Å; P666-Q669 PolarHBondContact O-N 2.96Å; P666-Q669 VanDerWaalsContact O-N 3.12Å; P666-T670 PolarHBondContact O-N 2.95Å; P666-T670 PolarHBondContact O-OG1 3.42Å; P666-T670 VanDerWaalsContact O-OG1 3.04Å
667L76.3Confident78Confident46 Ų4638.8 Ų38.824%0.24122%0.219CC..Hα-helixtrans-66.8-33.9-179.3-68.2171.2000113.7Q626 Y660 R665 C671Q626-L667 HydrophobicContact CB-CD1 4.31Å; Y660-L667 HydrophobicContact CD1-CB 3.68Å; Y660-L667 HydrophobicContact CD1-CD1 4.34Å; Y660-L667 HydrophobicContact CE1-CB 3.31Å; Y660-L667 HydrophobicContact CE1-CD1 3.97Å; Y660-L667 HydrophobicContact CE1-CG 4.28Å; R665-L667 VanDerWaalsContact C-N 3.32Å; R665-L667 PolarHBondContact O-N 2.86Å; L667-C671 PolarHBondContact O-N 3.18Å; L667-C671 PolarHBondContact O-SG 2.99Å
668F82.9Confident76.5Confident0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-64.9-45171.8179.4-85.5000110F649 M653 L656 A657 Y660 T663 R665 P666 C671 L672F649-F668 HydrophobicContact CE1-CZ 4.36Å; F649-F668 HydrophobicContact CE2-CD2 4.49Å; F649-F668 HydrophobicContact CE2-CE2 4.16Å; F649-F668 HydrophobicContact CE2-CZ 4.33Å; F649-F668 HydrophobicContact CZ-CD2 4.44Å; F649-F668 AromaticContact CZ-CE1 3.93Å; F649-F668 HydrophobicContact CZ-CE1 3.93Å; F649-F668 AromaticContact CZ-CE2 3.82Å; F649-F668 HydrophobicContact CZ-CE2 3.82Å; F649-F668 AromaticContact CZ-CZ 3.55Å; F649-F668 HydrophobicContact CZ-CZ 3.55Å; M653-F668 HydrophobicContact CG-CE2 4.32Å; M653-F668 HydrophobicContact CG-CZ 3.87Å; L656-F668 HydrophobicContact CB-CD2 4.16Å; L656-F668 HydrophobicContact CB-CE2 4.07Å; A657-F668 HydrophobicContact CB-CD2 4.21Å; A657-F668 HydrophobicContact CB-CE2 3.74Å; A657-F668 HydrophobicContact CB-CZ 4.27Å; Y660-F668 HydrophobicContact CD2-CB 3.79Å; Y660-F668 AromaticContact CD2-CD2 3.95Å; Y660-F668 HydrophobicContact CD2-CD2 3.95Å; Y660-F668 HydrophobicContact CD2-CG 4.38Å; Y660-F668 HydrophobicContact CE2-CB 4.44Å; Y660-F668 HydrophobicContact CG-CB 4.05Å; T663-F668 HydrophobicContact CG2-CD1 4.46Å; T663-F668 HydrophobicContact CG2-CE1 3.85Å; T663-F668 HydrophobicContact CG2-CZ 3.87Å; T663-F668 VanDerWaalsContact O-CD1 3.24Å; T663-F668 WeakPolarHBondContact O-CD1 3.17Å; R665-F668 HydrophobicContact CB-CB 4.5Å; R665-F668 WeakPolarHBondContact O-CB 3.06Å; R665-F668 PolarHBondContact O-N 3.33Å; P666-F668 PolarHBondContact O-N 2.91Å; F668-C671 PolarHBondContact O-N 2.82Å; F668-L672 WeakPolarHBondContact O-CB 3.34Å; F668-L672 PolarHBondContact O-N 3.14Å
669Q76.6Confident74.6Confident3 Ų338.2 Ų38.21%0.01421%0.214CC..Hα-helixtrans-61.9-43.6177.6-69.4-65.7-26.800111.6T663 R665 P666 C671 L672 E673 C697 K701T663-Q669 PolarHBondContact O-NE2 3.16Å; R665-Q669 PolarHBondContact O-N 3.17Å; P666-Q669 CarbonylContact O-C 3.59Å; P666-Q669 WeakPolarHBondContact O-CA 3.44Å; P666-Q669 WeakPolarHBondContact O-CB 3.13Å; P666-Q669 PolarHBondContact O-N 2.96Å; P666-Q669 VanDerWaalsContact O-N 3.12Å; Q669-C671 PolarHBondContact O-N 3.35Å; Q669-L672 WeakPolarHBondContact O-CB 3.1Å; Q669-L672 PolarHBondContact O-N 3.14Å; Q669-E673 WeakPolarHBondContact O-CB 3.49Å; Q669-E673 VanDerWaalsContact O-CG 3.28Å; Q669-E673 WeakPolarHBondContact O-CG 3.42Å; Q669-E673 PolarHBondContact O-N 2.94Å; Q669-C697 PolarHBondContact NE2-SG 2.91Å; Q669-C697 VanDerWaalsContact NE2-SG 3.41Å; Q669-K701 HydrophobicContact CB-CD 4.45Å
670T77.5Confident72.9Confident45 Ų4544.2 Ų44.228%0.27624%0.236SC..Hα-helixtrans-60-45.5173.9-54.10000111.5H629 P666 L672 E673 V674H629-T670 HydrophobicContact CB-CG2 4.23Å; P666-T670 PolarHBondContact O-N 2.95Å; P666-T670 PolarHBondContact O-OG1 3.42Å; P666-T670 VanDerWaalsContact O-OG1 3.04Å; T670-L672 VanDerWaalsContact C-N 3.33Å; T670-L672 PolarHBondContact O-N 3.17Å; T670-E673 PolarHBondContact O-N 3.38Å; T670-V674 HydrophobicContact CG2-CG2 4.13Å; T670-V674 VanDerWaalsContact O-CB 3.3Å; T670-V674 WeakPolarHBondContact O-CB 3.4Å; T670-V674 WeakPolarHBondContact O-CG2 3.5Å; T670-V674 PolarHBondContact O-N 3.32Å
671C80.7Confident71.4Confident0 Ų047.6 Ų47.60%026%0.259CS..Hα-helixtrans-62.7-41.5177.1-70.20000112F649 Y660 L667 F668 Q669 S675F649-C671 HydrophobicContact CD2-CB 4.02Å; F649-C671 HydrophobicContact CE2-CB 3.77Å; Y660-C671 PolarHBondContact OH-SG 3.47Å; L667-C671 PolarHBondContact O-N 3.18Å; L667-C671 PolarHBondContact O-SG 2.99Å; F668-C671 PolarHBondContact O-N 2.82Å; Q669-C671 PolarHBondContact O-N 3.35Å; C671-S675 WeakPolarHBondContact O-CB 3.43Å; C671-S675 PolarHBondContact O-N 3.45Å; C671-S675 PolarHBondContact O-OG 3.28Å
672L81Confident70.1Confident7 Ų745.3 Ų45.34%0.03724%0.235CC..Hα-helixtrans-58.9-54.4174.3168.959000110F649 F668 Q669 T670 S675 A676 L689 V693F649-L672 HydrophobicContact CD1-CD1 4.25Å; F649-L672 HydrophobicContact CE1-CB 3.86Å; F649-L672 HydrophobicContact CE1-CD1 3.51Å; F649-L672 HydrophobicContact CE1-CG 4.25Å; F649-L672 HydrophobicContact CE2-CB 4.21Å; F649-L672 HydrophobicContact CZ-CB 3.52Å; F649-L672 HydrophobicContact CZ-CD1 4.09Å; F649-L672 HydrophobicContact CZ-CG 4.35Å; F668-L672 WeakPolarHBondContact O-CB 3.34Å; F668-L672 PolarHBondContact O-N 3.14Å; Q669-L672 WeakPolarHBondContact O-CB 3.1Å; Q669-L672 PolarHBondContact O-N 3.14Å; T670-L672 VanDerWaalsContact C-N 3.33Å; T670-L672 PolarHBondContact O-N 3.17Å; L672-S675 PolarHBondContact O-N 2.99Å; L672-S675 PolarHBondContact O-OG 3.45Å; L672-A676 WeakPolarHBondContact O-CB 3.15Å; L672-A676 PolarHBondContact O-N 2.8Å; L672-L689 HydrophobicContact CD1-CD1 4.23Å; L672-L689 HydrophobicContact CD1-CD2 3.33Å; L672-L689 HydrophobicContact CD1-CG 4.4Å; L672-V693 HydrophobicContact CD2-CG2 3.98Å
673E73.7Confident68.8Low38 Ų3850.6 Ų50.618%0.17825%0.251CS..Hα-helixtrans-57.8-55-176.5-76.4172.7-17900110.6Q669 T670 S675 A676 I677 K701 L705Q669-E673 WeakPolarHBondContact O-CB 3.49Å; Q669-E673 VanDerWaalsContact O-CG 3.28Å; Q669-E673 WeakPolarHBondContact O-CG 3.42Å; Q669-E673 PolarHBondContact O-N 2.94Å; T670-E673 PolarHBondContact O-N 3.38Å; E673-S675 PolarHBondContact O-N 3.21Å; E673-A676 WeakPolarHBondContact O-CA 3.37Å; E673-A676 WeakPolarHBondContact O-CB 3.45Å; E673-A676 PolarHBondContact O-N 3.43Å; E673-I677 PolarHBondContact O-N 3.21Å; E673-K701 WeakPolarHBondContact OE1-CB 3.46Å; E673-K701 VanDerWaalsContact OE1-CD 3.28Å; E673-K701 WeakPolarHBondContact OE1-CD 3.49Å; E673-L705 HydrophobicContact CB-CD2 4.13Å; E673-L705 WeakPolarHBondContact O-CD2 3.48Å
674V75.2Confident67.8Low12 Ų1252.3 Ų52.37%0.07327%0.274CS..Hα-helixtrans-58.4-48.2-179.8175.40000110.4M632 L633 V636 T670 A676 I677M632-V674 VanDerWaalsContact C-CG1 3.46Å; M632-V674 HydrophobicContact CB-CB 4.34Å; M632-V674 HydrophobicContact CB-CG1 3.68Å; M632-V674 WeakPolarHBondContact O-CG1 3.29Å; L633-V674 HydrophobicContact CD2-CG1 4.15Å; L633-V674 HydrophobicContact CD2-CG2 3.66Å; L633-V674 HydrophobicContact CG-CG1 4.47Å; L633-V674 HydrophobicContact CG-CG2 4.34Å; V636-V674 HydrophobicContact CB-CG1 4.27Å; V636-V674 HydrophobicContact CG1-CB 4.49Å; V636-V674 HydrophobicContact CG1-CG1 3.4Å; V636-V674 WeakPolarHBondContact CG1-O 3.49Å; V636-V674 HydrophobicContact CG2-CG1 3.86Å; T670-V674 HydrophobicContact CG2-CG2 4.13Å; T670-V674 VanDerWaalsContact O-CB 3.3Å; T670-V674 WeakPolarHBondContact O-CB 3.4Å; T670-V674 WeakPolarHBondContact O-CG2 3.5Å; T670-V674 PolarHBondContact O-N 3.32Å; V674-A676 PolarHBondContact O-N 3.45Å; V674-A676 VanDerWaalsContact O-N 3.11Å; V674-I677 PolarHBondContact O-N 3.41Å
675S75.2Confident67.5Low2 Ų250.6 Ų50.61%0.01427%0.267CS..Hα-helixtrans-64.9-18.8179.274.60000114.3F649 C671 L672 E673F649-S675 WeakPolarHBondContact CB-OG 3.5Å; F649-S675 WeakPolarHBondContact CG-OG 3.48Å; C671-S675 WeakPolarHBondContact O-CB 3.43Å; C671-S675 PolarHBondContact O-N 3.45Å; C671-S675 PolarHBondContact O-OG 3.28Å; L672-S675 PolarHBondContact O-N 2.99Å; L672-S675 PolarHBondContact O-OG 3.45Å; E673-S675 PolarHBondContact O-N 3.21Å
676A67.5Low66.9Low1 Ų147.4 Ų47.41%0.00826%0.256CS..Hα-helixtrans-94.2-9.3-177.100000113.5L672 E673 V674 S678 F682 L705L672-A676 WeakPolarHBondContact O-CB 3.15Å; L672-A676 PolarHBondContact O-N 2.8Å; E673-A676 WeakPolarHBondContact O-CA 3.37Å; E673-A676 WeakPolarHBondContact O-CB 3.45Å; E673-A676 PolarHBondContact O-N 3.43Å; V674-A676 PolarHBondContact O-N 3.45Å; V674-A676 VanDerWaalsContact O-N 3.11Å; A676-S678 PolarHBondContact O-N 2.97Å; A676-F682 HydrophobicContact CB-CD2 4.17Å; A676-F682 HydrophobicContact CB-CE2 3.32Å; A676-F682 HydrophobicContact CB-CZ 3.77Å; A676-F682 WeakPolarHBondContact O-CD2 3.34Å; A676-F682 WeakPolarHBondContact O-CE2 3.5Å; A676-F682 WeakPolarHBondContact O-CG 3.31Å; A676-L705 HydrophobicContact CB-CD1 3.61Å; A676-L705 HydrophobicContact CB-CD2 3.71Å; A676-L705 HydrophobicContact CB-CG 4.24Å
677I66.9Low66.5Low69 Ų6947.6 Ų47.635%0.35426%0.258SS..PPolyproline II helixtrans-54.6123.8177.7-66.3173.3000110.2E673 V674 L705E673-I677 PolarHBondContact O-N 3.21Å; V674-I677 PolarHBondContact O-N 3.41Å; I677-L705 HydrophobicContact CG1-CD2 4.33Å
678S55Low66.1Low56 Ų5647.9 Ų47.939%0.39226%0.257SS..PPolyproline II helixtrans-78136.1-155.3780000114.7A676A676-S678 PolarHBondContact O-N 2.97Å
679N48.5Very low65.3Low63 Ų6348 Ų4834%0.33726%0.257SS..SBend-92.7161.7129.8-121.3-21.9000106.8V681 F682N679-V681 CarbonylContact O-C 3.59Å; N679-V681 PolarHBondContact O-N 3.11Å; N679-F682 WeakPolarHBondContact O-CB 3.48Å; N679-F682 PolarHBondContact O-N 2.84Å
680R51.5Low64.7Low209 Ų20951.5 Ų51.579%0.78928%0.276SS*.G310 helixtrans-43.4-24.7178.4-95.8-176.5175.3-175.7-1115.2F682R680-F682 PolarHBondContact O-N 3.41Å; R680-F682 VanDerWaalsContact O-N 3.13Å
681V51.4Low64.2Low97 Ų9759.2 Ų59.259%0.58830%0.3SS*.G310 helixtrans-54.4-22.1170.4-168.50000113.3N679 F683 G684N679-V681 CarbonylContact O-C 3.59Å; N679-V681 PolarHBondContact O-N 3.11Å; V681-F683 PolarHBondContact O-N 3.49Å; V681-G684 PolarHBondContact O-N 3.17Å; V681-G684 VanDerWaalsContact O-N 3.17Å
682F55Low63.4Low2 Ų264.2 Ų64.21%0.00932%0.32CS..G310 helixtrans-63.4-36.2-176.9-171.8-107.3000114.5A676 N679 R680 G684 K685 I686 L689 L705A676-F682 HydrophobicContact CB-CD2 4.17Å; A676-F682 HydrophobicContact CB-CE2 3.32Å; A676-F682 HydrophobicContact CB-CZ 3.77Å; A676-F682 WeakPolarHBondContact O-CD2 3.34Å; A676-F682 WeakPolarHBondContact O-CE2 3.5Å; A676-F682 WeakPolarHBondContact O-CG 3.31Å; N679-F682 WeakPolarHBondContact O-CB 3.48Å; N679-F682 PolarHBondContact O-N 2.84Å; R680-F682 PolarHBondContact O-N 3.41Å; R680-F682 VanDerWaalsContact O-N 3.13Å; F682-G684 PolarHBondContact O-N 3.28Å; F682-K685 HydrophobicContact CD2-CB 4.23Å; F682-K685 HydrophobicContact CD2-CD 4.06Å; F682-K685 HydrophobicContact CE2-CB 4.47Å; F682-K685 WeakPolarHBondContact O-CA 3.43Å; F682-K685 WeakPolarHBondContact O-CB 3.36Å; F682-K685 PolarHBondContact O-N 3.06Å; F682-I686 HydrophobicContact CD1-CG1 4.44Å; F682-I686 HydrophobicContact CE1-CD1 4.45Å; F682-I686 HydrophobicContact CE1-CG1 4.03Å; F682-I686 HydrophobicContact CZ-CG1 4.4Å; F682-I686 PolarHBondContact O-N 3.29Å; F682-L689 HydrophobicContact CE2-CD1 3.81Å; F682-L689 HydrophobicContact CZ-CD1 3.83Å; F682-L705 HydrophobicContact CE1-CB 3.97Å; F682-L705 HydrophobicContact CE1-CD1 4.36Å; F682-L705 HydrophobicContact CZ-CB 4.17Å; F682-L705 HydrophobicContact CZ-CD1 3.78Å
683F54.5Low62.5Low139 Ų13963.9 Ų63.961%0.6132%0.318SS*.G310 helixtrans-57.6-34.9175.6-83.2-86.2000111.9V681 K685 I686 F706V681-F683 PolarHBondContact O-N 3.49Å; F683-K685 VanDerWaalsContact C-N 3.27Å; F683-K685 PolarHBondContact O-N 3.22Å; F683-I686 HydrophobicContact CD1-CD1 4.2Å; F683-F706 HydrophobicContact CD1-CE1 4.11Å; F683-F706 HydrophobicContact CE1-CD1 4.15Å; F683-F706 AromaticContact CE1-CE1 3.44Å; F683-F706 HydrophobicContact CE1-CE1 3.44Å; F683-F706 VanDerWaalsContact CE1-CE1 3.44Å; F683-F706 HydrophobicContact CE1-CZ 4.41Å; F683-F706 HydrophobicContact CE2-CD1 4.37Å; F683-F706 HydrophobicContact CE2-CE1 4.26Å; F683-F706 AromaticContact CZ-CD1 3.75Å; F683-F706 HydrophobicContact CZ-CD1 3.75Å; F683-F706 AromaticContact CZ-CE1 3.52Å; F683-F706 HydrophobicContact CZ-CE1 3.52Å
684G57.9Low61.6Low65 Ų6565.5 Ų65.567%0.6733%0.332SS*.G310 helixtrans-72.6-14174.200000114.6V681 F682V681-G684 PolarHBondContact O-N 3.17Å; V681-G684 VanDerWaalsContact O-N 3.17Å; F682-G684 PolarHBondContact O-N 3.28Å
685K64Low60.5Low38 Ų3868.3 Ų68.317%0.16535%0.352CS..G310 helixtrans-92.9-19.5-178.3-61.7172-179-174.60113.1W646 F682 F683 F688 L689W646-K685 HydrophobicContact CD2-CD 3.77Å; W646-K685 VanDerWaalsContact CE2-CD 3.4Å; W646-K685 HydrophobicContact CE3-CD 4.45Å; W646-K685 HydrophobicContact CG-CD 4.06Å; W646-K685 HydrophobicContact CH2-CB 4.24Å; W646-K685 HydrophobicContact CH2-CD 4.45Å; W646-K685 HydrophobicContact CZ2-CB 3.85Å; W646-K685 HydrophobicContact CZ2-CD 3.78Å; W646-K685 HydrophobicContact CZ2-CG 3.89Å; W646-K685 VanDerWaalsContact NE1-CE 3.3Å; F682-K685 HydrophobicContact CD2-CB 4.23Å; F682-K685 HydrophobicContact CD2-CD 4.06Å; F682-K685 HydrophobicContact CE2-CB 4.47Å; F682-K685 WeakPolarHBondContact O-CA 3.43Å; F682-K685 WeakPolarHBondContact O-CB 3.36Å; F682-K685 PolarHBondContact O-N 3.06Å; F683-K685 VanDerWaalsContact C-N 3.27Å; F683-K685 PolarHBondContact O-N 3.22Å; K685-F688 WeakPolarHBondContact O-CB 3.5Å; K685-F688 PolarHBondContact O-N 2.65Å; K685-F688 VanDerWaalsContact O-N 3.11Å; K685-L689 PolarHBondContact O-N 2.73Å
686I61.1Low59.4Low29 Ų2977.9 Ų77.915%0.14939%0.388CS..Hα-helixtrans-55.4-46.3-179.2-65.9164.9000112.9F682 F683 F688 L689 L690 M702 F706F682-I686 HydrophobicContact CD1-CG1 4.44Å; F682-I686 HydrophobicContact CE1-CD1 4.45Å; F682-I686 HydrophobicContact CE1-CG1 4.03Å; F682-I686 HydrophobicContact CZ-CG1 4.4Å; F682-I686 PolarHBondContact O-N 3.29Å; F683-I686 HydrophobicContact CD1-CD1 4.2Å; I686-F688 PolarHBondContact O-N 3.13Å; I686-L689 PolarHBondContact O-N 3.37Å; I686-L690 HydrophobicContact CG2-CD1 3.82Å; I686-L690 HydrophobicContact CG2-CG 4.16Å; I686-L690 WeakPolarHBondContact O-CG 3.31Å; I686-L690 PolarHBondContact O-N 2.88Å; I686-M702 HydrophobicContact CG2-SD 4.1Å; I686-F706 HydrophobicContact CD1-CE1 3.96Å; I686-F706 HydrophobicContact CD1-CZ 3.51Å
687P64.5Low58.5Low78 Ų7878.3 Ų78.351%0.50639%0.391SS..Hα-helixtrans-61.2-31.7179.6-23.334.4000112.9R691P687-R691 WeakPolarHBondContact O-CG 3.45Å
688F67.5Low57.7Low53 Ų5375.2 Ų75.223%0.23238%0.375CS..Hα-helixtrans-68.5-44.5175.1176-93.3000111W646 K650 M653 K685 I686 L690 R691 Y692W646-F688 HydrophobicContact CH2-CD1 4.05Å; W646-F688 HydrophobicContact CH2-CE1 4.41Å; W646-F688 HydrophobicContact CZ2-CD1 4.02Å; W646-F688 HydrophobicContact CZ2-CE1 4.42Å; K650-F688 HydrophobicContact CB-CE1 4.44Å; K650-F688 HydrophobicContact CD-CE1 4.28Å; K650-F688 HydrophobicContact CD-CZ 4.3Å; K650-F688 HydrophobicContact CG-CD1 4.43Å; K650-F688 HydrophobicContact CG-CE1 3.62Å; K650-F688 HydrophobicContact CG-CE2 4.41Å; K650-F688 HydrophobicContact CG-CZ 3.62Å; M653-F688 HydrophobicContact CE-CD1 4.31Å; M653-F688 HydrophobicContact CE-CE1 3.52Å; M653-F688 HydrophobicContact CE-CZ 4.33Å; K685-F688 WeakPolarHBondContact O-CB 3.5Å; K685-F688 PolarHBondContact O-N 2.65Å; K685-F688 VanDerWaalsContact O-N 3.11Å; I686-F688 PolarHBondContact O-N 3.13Å; F688-L690 PolarHBondContact O-N 3.23Å; F688-R691 PolarHBondContact O-N 3.41Å; F688-Y692 HydrophobicContact CD2-CE2 4.05Å; F688-Y692 HydrophobicContact CE1-CD2 4.33Å; F688-Y692 HydrophobicContact CE1-CE2 4.47Å; F688-Y692 HydrophobicContact CE2-CD2 4.2Å; F688-Y692 AromaticContact CE2-CE2 3.56Å; F688-Y692 HydrophobicContact CE2-CE2 3.56Å; F688-Y692 HydrophobicContact CZ-CD2 4.07Å; F688-Y692 AromaticContact CZ-CE2 3.8Å; F688-Y692 HydrophobicContact CZ-CE2 3.8Å; F688-Y692 WeakPolarHBondContact O-CD2 3.33Å
689L65.9Low57.3Low1 Ų178.1 Ų78.11%0.00538%0.383CS..Hα-helixtrans-63.4-42.3179.3-71.1175.3000112.7W646 M653 L672 F682 K685 I686 R691 Y692 V693 M702W646-L689 HydrophobicContact CH2-CD1 4.27Å; W646-L689 HydrophobicContact CH2-CD2 3.61Å; W646-L689 HydrophobicContact CH2-CG 3.88Å; W646-L689 HydrophobicContact CZ3-CD1 4.42Å; W646-L689 HydrophobicContact CZ3-CD2 3.89Å; W646-L689 HydrophobicContact CZ3-CG 4.38Å; M653-L689 HydrophobicContact CE-CD2 3.99Å; L672-L689 HydrophobicContact CD1-CD1 4.23Å; L672-L689 HydrophobicContact CD1-CD2 3.33Å; L672-L689 HydrophobicContact CD1-CG 4.4Å; F682-L689 HydrophobicContact CE2-CD1 3.81Å; F682-L689 HydrophobicContact CZ-CD1 3.83Å; K685-L689 PolarHBondContact O-N 2.73Å; I686-L689 PolarHBondContact O-N 3.37Å; L689-R691 PolarHBondContact O-N 3Å; L689-R691 VanDerWaalsContact O-N 3.15Å; L689-Y692 PolarHBondContact O-N 3.5Å; L689-Y692 VanDerWaalsContact O-N 3.11Å; L689-V693 PolarHBondContact O-N 3.07Å; L689-M702 HydrophobicContact CB-CE 3.26Å; L689-M702 HydrophobicContact CD1-CE 3.85Å; L689-M702 HydrophobicContact CG-CE 4.19Å
690L65.1Low57.4Low78 Ų7879.6 Ų79.641%0.40838%0.383SS..Hα-helixtrans-63.1-19.2178.6-69174.2000113.6I686 F688 A698 M702I686-L690 HydrophobicContact CG2-CD1 3.82Å; I686-L690 HydrophobicContact CG2-CG 4.16Å; I686-L690 WeakPolarHBondContact O-CG 3.31Å; I686-L690 PolarHBondContact O-N 2.88Å; F688-L690 PolarHBondContact O-N 3.23Å; L690-A698 HydrophobicContact CD2-CB 4.13Å; L690-M702 HydrophobicContact CD2-CE 4.03Å; L690-M702 HydrophobicContact CD2-SD 4.22Å; L690-M702 HydrophobicContact CG-CE 4.19Å
691R65.8Low57.3Low206 Ų20672.2 Ų72.278%0.77736%0.357SS*.THydrogen-bonded Turntrans-77.4-22.9175.7-73.9179.4-175.1-166.30.9114P687 F688 L689P687-R691 WeakPolarHBondContact O-CG 3.45Å; F688-R691 PolarHBondContact O-N 3.41Å; L689-R691 PolarHBondContact O-N 3Å; L689-R691 VanDerWaalsContact O-N 3.15Å
692Y64Low57.2Low105 Ų10568.4 Ų68.441%0.41233%0.333SS..THydrogen-bonded Turntrans-118.8-17.2-171.1-68.1-77.9000113.9M653 F688 L689M653-Y692 WeakPolarHBondContact SD-CB 3.42Å; M653-Y692 HydrophobicContact SD-CD2 4.21Å; M653-Y692 HydrophobicContact SD-CG 3.87Å; F688-Y692 HydrophobicContact CD2-CE2 4.05Å; F688-Y692 HydrophobicContact CE1-CD2 4.33Å; F688-Y692 HydrophobicContact CE1-CE2 4.47Å; F688-Y692 HydrophobicContact CE2-CD2 4.2Å; F688-Y692 AromaticContact CE2-CE2 3.56Å; F688-Y692 HydrophobicContact CE2-CE2 3.56Å; F688-Y692 HydrophobicContact CZ-CD2 4.07Å; F688-Y692 AromaticContact CZ-CE2 3.8Å; F688-Y692 HydrophobicContact CZ-CE2 3.8Å; F688-Y692 WeakPolarHBondContact O-CD2 3.33Å; L689-Y692 PolarHBondContact O-N 3.5Å; L689-Y692 VanDerWaalsContact O-N 3.11Å
693V61.4Low56.7Low1 Ų168.9 Ų68.91%0.00634%0.336CS..SBendtrans-111.9121176.8-174.10000107.8L672 L689 S695 C697 A698L672-V693 HydrophobicContact CD2-CG2 3.98Å; L689-V693 PolarHBondContact O-N 3.07Å; V693-S695 PolarHBondContact O-N 3.17Å; V693-C697 HydrophobicContact CG1-CB 4.38Å; V693-A698 HydrophobicContact CB-CB 3.92Å; V693-A698 HydrophobicContact CG1-CB 3.69Å
694P56.4Low56.3Low72 Ų7265.3 Ų65.347%0.46832%0.32SS..  trans-50.9137.9179-2531.9000111.6R696 C697 A698P694-R696 VanDerWaalsContact C-N 3.31Å; P694-R696 PolarHBondContact O-N 3.2Å; P694-R696 VanDerWaalsContact O-N 3.12Å; P694-C697 PolarHBondContact O-N 3.46Å; P694-C697 VanDerWaalsContact O-N 3.08Å; P694-A698 PolarHBondContact O-N 2.99Å
695S52.1Low55.6Low70 Ų7062.7 Ų62.749%0.4929%0.291SS..Hα-helixtrans-51-42.8-165.156.90000114.2V693 C697 Q699V693-S695 PolarHBondContact O-N 3.17Å; S695-C697 PolarHBondContact O-N 2.87Å; S695-Q699 WeakPolarHBondContact O-CB 3.41Å; S695-Q699 WeakPolarHBondContact O-CG 3.34Å; S695-Q699 PolarHBondContact O-N 3.12Å; S695-Q699 PolarHBondContact O-OE1 3.46Å
696R51.4Low54.5Low203 Ų20365.1 Ų65.177%0.76630%0.302SS*.Hα-helixtrans-64.8-40.2-178.3-73.4-172.3178.4-172.7-0.6113.7P694 R700P694-R696 VanDerWaalsContact C-N 3.31Å; P694-R696 PolarHBondContact O-N 3.2Å; P694-R696 VanDerWaalsContact O-N 3.12Å; R696-R700 WeakPolarHBondContact O-CB 3.12Å; R696-R700 WeakPolarHBondContact O-CG 3.36Å; R696-R700 PolarHBondContact O-N 2.88Å; R696-R700 VanDerWaalsContact O-N 3.11Å
697C49.1Very low53.4Low11 Ų1166.2 Ų66.27%0.07431%0.308CS..Hα-helixtrans-74.9-43.5-177.1-165.60000111.1Q669 V693 P694 S695 R700 K701Q669-C697 PolarHBondContact NE2-SG 2.91Å; Q669-C697 VanDerWaalsContact NE2-SG 3.41Å; V693-C697 HydrophobicContact CG1-CB 4.38Å; P694-C697 PolarHBondContact O-N 3.46Å; P694-C697 VanDerWaalsContact O-N 3.08Å; S695-C697 PolarHBondContact O-N 2.87Å; C697-R700 PolarHBondContact O-N 3.05Å; C697-K701 PolarHBondContact O-N 3.15Å; C697-K701 VanDerWaalsContact O-N 3.15Å
698A48.8Very low52.9Low3 Ų365.7 Ų65.73%0.02530%0.298CS..Hα-helixtrans-63.5-45.6173.100000112.4L690 V693 P694 R700 K701 M702L690-A698 HydrophobicContact CD2-CB 4.13Å; V693-A698 HydrophobicContact CB-CB 3.92Å; V693-A698 HydrophobicContact CG1-CB 3.69Å; P694-A698 PolarHBondContact O-N 2.99Å; A698-R700 VanDerWaalsContact C-N 3.27Å; A698-R700 PolarHBondContact O-N 3.11Å; A698-K701 PolarHBondContact O-N 3.14Å; A698-M702 HydrophobicContact CB-CE 3.87Å; A698-M702 HydrophobicContact CB-SD 4.45Å; A698-M702 WeakPolarHBondContact O-CB 3.47Å; A698-M702 WeakPolarHBondContact O-CG 3.32Å; A698-M702 PolarHBondContact O-N 2.96Å
699Q48Very low52.1Low117 Ų11766.3 Ų66.355%0.54730%0.301SS..Hα-helixtrans-65.8-30.6-179.4-74.7169.3-14.300112.3S695 P703S695-Q699 WeakPolarHBondContact O-CB 3.41Å; S695-Q699 WeakPolarHBondContact O-CG 3.34Å; S695-Q699 PolarHBondContact O-N 3.12Å; S695-Q699 PolarHBondContact O-OE1 3.46Å; Q699-P703 WeakPolarHBondContact O-CD 3.5Å; Q699-P703 WeakPolarHBondContact O-CG 3.44Å
700R50.5Low51.3Low94 Ų9469.9 Ų69.936%0.35532%0.318SS..Hα-helixtrans-76-36.6174.7-78.9-176.7175.2177.7-8113.2S166 R696 C697 A698S166-R700 WeakPolarHBondContact CB-O 3.19Å; S166-R700 PolarHBondContact OG-O 3.47Å; R696-R700 WeakPolarHBondContact O-CB 3.12Å; R696-R700 WeakPolarHBondContact O-CG 3.36Å; R696-R700 PolarHBondContact O-N 2.88Å; R696-R700 VanDerWaalsContact O-N 3.11Å; C697-R700 PolarHBondContact O-N 3.05Å; A698-R700 VanDerWaalsContact C-N 3.27Å; A698-R700 PolarHBondContact O-N 3.11Å
701K49.4Very low50.5Low55 Ų5569.5 Ų69.524%0.23931%0.313CS..Hα-helixtrans-98-20.3-176.1-72.6179.8170.5-162.70114.3Q669 E673 C697 A698 P703 K704Q669-K701 HydrophobicContact CB-CD 4.45Å; E673-K701 WeakPolarHBondContact OE1-CB 3.46Å; E673-K701 VanDerWaalsContact OE1-CD 3.28Å; E673-K701 WeakPolarHBondContact OE1-CD 3.49Å; C697-K701 PolarHBondContact O-N 3.15Å; C697-K701 VanDerWaalsContact O-N 3.15Å; A698-K701 PolarHBondContact O-N 3.14Å; K701-P703 VanDerWaalsContact C-CD 3.46Å; K701-K704 WeakPolarHBondContact O-CB 3.41Å; K701-K704 PolarHBondContact O-N 3.17Å; K701-K704 VanDerWaalsContact O-N 3.15Å
702M48.5Very low49.6Very low17 Ų1760.9 Ų60.98%0.08428%0.284CS..THydrogen-bonded Turntrans-58.5-36.8175.6-81.2-176.1-17300115.5I686 L689 L690 A698 K704 L705 F706I686-M702 HydrophobicContact CG2-SD 4.1Å; L689-M702 HydrophobicContact CB-CE 3.26Å; L689-M702 HydrophobicContact CD1-CE 3.85Å; L689-M702 HydrophobicContact CG-CE 4.19Å; L690-M702 HydrophobicContact CD2-CE 4.03Å; L690-M702 HydrophobicContact CD2-SD 4.22Å; L690-M702 HydrophobicContact CG-CE 4.19Å; A698-M702 HydrophobicContact CB-CE 3.87Å; A698-M702 HydrophobicContact CB-SD 4.45Å; A698-M702 WeakPolarHBondContact O-CB 3.47Å; A698-M702 WeakPolarHBondContact O-CG 3.32Å; A698-M702 PolarHBondContact O-N 2.96Å; M702-K704 PolarHBondContact O-N 3.22Å; M702-L705 HydrophobicContact CG-CD1 4.32Å; M702-L705 WeakPolarHBondContact O-CA 3.35Å; M702-L705 VanDerWaalsContact O-CB 3.24Å; M702-L705 WeakPolarHBondContact O-CB 3.38Å; M702-L705 PolarHBondContact O-N 2.69Å; M702-F706 HydrophobicContact CB-CE2 4.45Å; M702-F706 WeakPolarHBondContact O-CD2 3.48Å
703P44.2Very low48.6Very low12 Ų1258 Ų588%0.07828%0.275CS..Hα-helixtrans-53.9-37174.4-30.138.2000113.4C165 Q699 K701 L705 F706C165-P703 WeakPolarHBondContact SG-CG 3.43Å; Q699-P703 WeakPolarHBondContact O-CD 3.5Å; Q699-P703 WeakPolarHBondContact O-CG 3.44Å; K701-P703 VanDerWaalsContact C-CD 3.46Å; P703-L705 PolarHBondContact O-N 2.91Å; P703-L705 VanDerWaalsContact O-N 3.17Å; P703-F706 PolarHBondContact O-N 3.08Å; P703-F706 VanDerWaalsContact O-N 3.14Å
704K46.7Very low47.7Very low63 Ų6362.1 Ų62.127%0.27429%0.294SS..Hα-helixtrans-60.8-23.7175.1-66.7-172.9175.8-174.90112.9T164 K701 M702T164-K704 HydrophobicContact CG2-CG 4.35Å; K701-K704 WeakPolarHBondContact O-CB 3.41Å; K701-K704 PolarHBondContact O-N 3.17Å; K701-K704 VanDerWaalsContact O-N 3.15Å; M702-K704 PolarHBondContact O-N 3.22Å
705L42.4Very low47Very low10 Ų1061.3 Ų61.35%0.05228%0.281CS..Hα-helixtrans-83.8-17-179.7-61.3166000114.2E673 A676 I677 F682 M702 P703 L707E673-L705 HydrophobicContact CB-CD2 4.13Å; E673-L705 WeakPolarHBondContact O-CD2 3.48Å; A676-L705 HydrophobicContact CB-CD1 3.61Å; A676-L705 HydrophobicContact CB-CD2 3.71Å; A676-L705 HydrophobicContact CB-CG 4.24Å; I677-L705 HydrophobicContact CG1-CD2 4.33Å; F682-L705 HydrophobicContact CE1-CB 3.97Å; F682-L705 HydrophobicContact CE1-CD1 4.36Å; F682-L705 HydrophobicContact CZ-CB 4.17Å; F682-L705 HydrophobicContact CZ-CD1 3.78Å; M702-L705 HydrophobicContact CG-CD1 4.32Å; M702-L705 WeakPolarHBondContact O-CA 3.35Å; M702-L705 VanDerWaalsContact O-CB 3.24Å; M702-L705 WeakPolarHBondContact O-CB 3.38Å; M702-L705 PolarHBondContact O-N 2.69Å; P703-L705 PolarHBondContact O-N 2.91Å; P703-L705 VanDerWaalsContact O-N 3.17Å; L705-L707 VanDerWaalsContact C-N 3.33Å
706F40.8Very low46.6Very low89 Ų8960.6 Ų60.639%0.3926%0.263SS..Hα-helixtrans-83.6-16.7173.9-67.8-82.2000112.5F683 I686 M702 P703F683-F706 HydrophobicContact CD1-CE1 4.11Å; F683-F706 HydrophobicContact CE1-CD1 4.15Å; F683-F706 AromaticContact CE1-CE1 3.44Å; F683-F706 HydrophobicContact CE1-CE1 3.44Å; F683-F706 VanDerWaalsContact CE1-CE1 3.44Å; F683-F706 HydrophobicContact CE1-CZ 4.41Å; F683-F706 HydrophobicContact CE2-CD1 4.37Å; F683-F706 HydrophobicContact CE2-CE1 4.26Å; F683-F706 AromaticContact CZ-CD1 3.75Å; F683-F706 HydrophobicContact CZ-CD1 3.75Å; F683-F706 AromaticContact CZ-CE1 3.52Å; F683-F706 HydrophobicContact CZ-CE1 3.52Å; I686-F706 HydrophobicContact CD1-CE1 3.96Å; I686-F706 HydrophobicContact CD1-CZ 3.51Å; M702-F706 HydrophobicContact CB-CE2 4.45Å; M702-F706 WeakPolarHBondContact O-CD2 3.48Å; P703-F706 PolarHBondContact O-N 3.08Å; P703-F706 VanDerWaalsContact O-N 3.14Å
707L39.5Very low46.2Very low53 Ų5347.6 Ų47.628%0.27722%0.218SC..  trans-93.30-178.4-68173.4000110.9T164 Y349 R446 L705T164-L707 HydrophobicContact CG2-CD1 3.47Å; T164-L707 VanDerWaalsContact CG2-CD1 3.47Å; Y349-L707 VanDerWaalsContact CB-CD2 3.42Å; Y349-L707 HydrophobicContact CD1-CD2 4Å; Y349-L707 HydrophobicContact CD2-CD1 3.41Å; Y349-L707 VanDerWaalsContact CD2-CD1 3.41Å; Y349-L707 HydrophobicContact CD2-CD2 3.59Å; Y349-L707 HydrophobicContact CD2-CG 4.16Å; Y349-L707 HydrophobicContact CE2-CD1 3.97Å; Y349-L707 HydrophobicContact CE2-CD2 4.29Å; Y349-L707 HydrophobicContact CG-CD1 4.1Å; Y349-L707 HydrophobicContact CG-CD2 3.41Å; Y349-L707 VanDerWaalsContact CG-CD2 3.41Å; Y349-L707 HydrophobicContact CG-CG 4.42Å; R446-L707 HydrophobicContact CG-CD2 4.33Å; R446-L707 VanDerWaalsContact CZ-O 3.27Å; R446-L707 PolarHBondContact NE-O 3.15Å; R446-L707 VanDerWaalsContact NH2-CB 3.29Å; R446-L707 PolarHBondContact NH2-O 3.25Å; L705-L707 VanDerWaalsContact C-N 3.33Å

Retrieved 707 of 707 residues in 636.3 ms (Link to these results)

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