A0A087XZJ2_POEFO Loading...

TLDc domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XZJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 453 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
1Q45Very low76.6Confident233 Ų23396.1 Ų96.1100%1.08950%0.499SS*.  0145.40-77.2175-22.600108.3
2P51.7Low77.8Confident85 Ų8590.3 Ų90.355%0.55247%0.467SS*.  trans-60.3140.8173.825.3-31.4000110M4 V33P2-M4 PolarHBondContact O-N 3.46Å; P2-M4 VanDerWaalsContact O-N 3.14Å; P2-V33 HydrophobicContact CB-CG1 4.14Å; P2-V33 HydrophobicContact CG-CG1 3.93Å
3I56.7Low78.7Confident143 Ų14387.5 Ų87.573%0.73345%0.451SS*.  trans-68.1110.9176.2-61.5171.5000107.5
4M76.4Confident79.1Confident65 Ų6590.2 Ų90.232%0.3246%0.458SS..  trans-94.396.1178.5-69.1-165.9-73.700110.3P2 L27 V33 H34P2-M4 PolarHBondContact O-N 3.46Å; P2-M4 VanDerWaalsContact O-N 3.14Å; M4-L27 HydrophobicContact CB-CD2 3.91Å; M4-V33 HydrophobicContact CG-CG1 4.31Å; M4-H34 PolarHBondContact SD-CE1 3.2Å
5N83.3Confident79.8Confident123 Ų12387.5 Ų87.566%0.65844%0.442SS*.  trans-89.4126.2172.1-67.9-28.1000110.2K30N5-K30 WeakPolarHBondContact O-CE 3.2Å
6S90.3Very high80.6Confident43 Ų4382.2 Ų82.230%0.30142%0.416SS..  trans-64.5135.3176.4171.70000111.5L8 Q13 E155 Y157S6-L8 WeakPolarHBondContact OG-CB 3.23Å; S6-L8 PolarHBondContact OG-N 3.02Å; S6-L8 PolarHBondContact OG-O 2.86Å; S6-Q13 PolarHBondContact OG-NE2 2.86Å; S6-E155 WeakPolarHBondContact CA-OE1 3.35Å; S6-Y157 PolarHBondContact OG-OH 3.32Å
7K93.3Very high81Confident101 Ų10178.7 Ų78.744%0.43940%0.4SS..SBendtrans-79.4-25.6167.5-100.6-175.4174.2172.70112S9 Y56 D153 E155K7-S9 PolarHBondContact O-N 3.12Å; K7-Y56 HydrophobicContact CB-CE1 4.1Å; K7-Y56 HydrophobicContact CB-CE2 4.25Å; K7-D153 HydrophobicContact CD-CB 4.19Å; K7-D153 IonicContact NZ-OD2 3.39Å; K7-E155 VanDerWaalsContact N-CD 3.34Å; K7-E155 PolarHBondContact N-OE1 3.26Å; K7-E155 PolarHBondContact N-OE2 2.81Å
8L92Very high81.2Confident3 Ų378.3 Ų78.32%0.01641%0.406CS..SBendtrans-62119.8173.8-162.365.4000110.3S6 H12 Q13 I16 L25 V54 Y56 I62 E155 Y157S6-L8 WeakPolarHBondContact OG-CB 3.23Å; S6-L8 PolarHBondContact OG-N 3.02Å; S6-L8 PolarHBondContact OG-O 2.86Å; L8-H12 HydrophobicContact CD1-CB 3.48Å; L8-H12 VanDerWaalsContact CD1-CB 3.48Å; L8-H12 HydrophobicContact CG-CB 3.87Å; L8-Q13 HydrophobicContact CB-CG 4.11Å; L8-Q13 HydrophobicContact CD2-CB 4.41Å; L8-Q13 HydrophobicContact CD2-CG 3.5Å; L8-Q13 HydrophobicContact CG-CG 3.73Å; L8-Q13 PolarHBondContact O-NE2 3.06Å; L8-I16 HydrophobicContact CD1-CD1 4.29Å; L8-I16 HydrophobicContact CD2-CD1 3.71Å; L8-L25 HydrophobicContact CD2-CD1 4.19Å; L8-V54 HydrophobicContact CD1-CG1 4.26Å; L8-V54 HydrophobicContact CD2-CG2 4.42Å; L8-Y56 WeakPolarHBondContact CA-OH 3.32Å; L8-Y56 VanDerWaalsContact CB-OH 3.32Å; L8-Y56 WeakPolarHBondContact CB-OH 3.4Å; L8-Y56 PolarHBondContact N-OH 3.41Å; L8-Y56 VanDerWaalsContact N-OH 3.1Å; L8-I62 HydrophobicContact CD1-CG2 4.16Å; L8-E155 PolarHBondContact N-OE2 2.83Å; L8-Y157 WeakPolarHBondContact CB-OH 3.34Å; L8-Y157 HydrophobicContact CD2-CE2 4.15Å
9S88.6Confident81.5Confident47 Ų4777.8 Ų77.833%0.32940%0.402SS..  trans-66.4156.617977.70000111.6K7 N11 H12 Q13K7-S9 PolarHBondContact O-N 3.12Å; S9-N11 PolarHBondContact O-N 3.44Å; S9-N11 VanDerWaalsContact O-N 3.16Å; S9-H12 PolarHBondContact O-N 2.89Å; S9-H12 VanDerWaalsContact O-N 3.07Å; S9-H12 PolarHBondContact OG-N 3.08Å; S9-H12 PolarHBondContact OG-ND1 3.47Å; S9-Q13 WeakPolarHBondContact O-CG 3.5Å; S9-Q13 PolarHBondContact O-N 2.92Å
10E82.2Confident81.7Confident138 Ų13875.8 Ų75.865%0.64539%0.391SS*.Hα-helixtrans-54.8-35.3175.9-70.4-175.5-17000113Q13 K14E10-Q13 PolarHBondContact O-N 3.44Å; E10-K14 WeakPolarHBondContact O-CB 3.44Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.41Å; E10-K14 PolarHBondContact O-N 3.32Å
11N83.1Confident81.5Confident76 Ų7674 Ų7441%0.40639%0.392SS..Hα-helixtrans-68.9-41.9178.5-70-34000111.6S9 K14 E15S9-N11 PolarHBondContact O-N 3.44Å; S9-N11 VanDerWaalsContact O-N 3.16Å; N11-K14 PolarHBondContact O-N 3Å; N11-E15 WeakPolarHBondContact O-CB 3.49Å; N11-E15 PolarHBondContact O-N 3.32Å
12H91.4Very high83Confident26 Ų2671.4 Ų71.412%0.1238%0.379CS..Hα-helixtrans-68.5-37.7176.3-64.8132.2000111.7L8 S9 E15 I16 I62 F88 G90L8-H12 HydrophobicContact CD1-CB 3.48Å; L8-H12 VanDerWaalsContact CD1-CB 3.48Å; L8-H12 HydrophobicContact CG-CB 3.87Å; S9-H12 PolarHBondContact O-N 2.89Å; S9-H12 VanDerWaalsContact O-N 3.07Å; S9-H12 PolarHBondContact OG-N 3.08Å; S9-H12 PolarHBondContact OG-ND1 3.47Å; H12-E15 PolarHBondContact O-N 3.12Å; H12-I16 PolarHBondContact O-N 2.99Å; H12-I62 VanDerWaalsContact CE1-CD1 3.5Å; H12-I62 WeakPolarHBondContact CE1-CD1 3.36Å; H12-F88 HydrophobicContact CB-CE1 4.26Å; H12-F88 HydrophobicContact CB-CE2 4.09Å; H12-F88 HydrophobicContact CB-CZ 3.78Å; H12-F88 AromaticContact CD2-CD1 3.47Å; H12-F88 VanDerWaalsContact CD2-CD1 3.47Å; H12-F88 WeakPolarHBondContact CD2-CD1 3.31Å; H12-F88 AromaticContact CD2-CE1 3.52Å; H12-F88 AromaticContact CD2-CG 3.71Å; H12-F88 AromaticContact CD2-CZ 3.8Å; H12-G90 PolarHBondContact NE2-O 2.8Å
13Q89Confident84.4Confident55 Ų5568.5 Ų68.526%0.25736%0.36SS..Hα-helixtrans-61-48.9172.8-71.5-177.320.800111.5S6 L8 S9 E10 E15 I16 C17 L25S6-Q13 PolarHBondContact OG-NE2 2.86Å; L8-Q13 HydrophobicContact CB-CG 4.11Å; L8-Q13 HydrophobicContact CD2-CB 4.41Å; L8-Q13 HydrophobicContact CD2-CG 3.5Å; L8-Q13 HydrophobicContact CG-CG 3.73Å; L8-Q13 PolarHBondContact O-NE2 3.06Å; S9-Q13 WeakPolarHBondContact O-CG 3.5Å; S9-Q13 PolarHBondContact O-N 2.92Å; E10-Q13 PolarHBondContact O-N 3.44Å; Q13-E15 VanDerWaalsContact C-N 3.29Å; Q13-E15 PolarHBondContact O-N 3.46Å; Q13-I16 PolarHBondContact O-N 3.41Å; Q13-C17 PolarHBondContact O-N 2.98Å; Q13-C17 PolarHBondContact O-SG 3.32Å; Q13-C17 VanDerWaalsContact O-SG 3.34Å; Q13-L25 HydrophobicContact CG-CD1 4.44Å
14K84.9Confident85.7Confident125 Ų12565.6 Ų65.654%0.54334%0.343SS..Hα-helixtrans-59.1-41.1177.2-76.3171.6-173.8170.60112E10 N11 C17 S18E10-K14 WeakPolarHBondContact O-CB 3.44Å; E10-K14 VanDerWaalsContact O-CG 3.24Å; E10-K14 WeakPolarHBondContact O-CG 3.41Å; E10-K14 PolarHBondContact O-N 3.32Å; N11-K14 PolarHBondContact O-N 3Å; K14-C17 PolarHBondContact O-N 3.38Å; K14-S18 WeakPolarHBondContact O-CB 3.46Å; K14-S18 PolarHBondContact O-N 2.99Å
15E88.6Confident86.4Confident49 Ų4963.6 Ų63.623%0.22933%0.334CS..Hα-helixtrans-67.9-39.5177.3-173.660.9-158.600111.9N11 H12 Q13 S18 Q19 F88 L93N11-E15 WeakPolarHBondContact O-CB 3.49Å; N11-E15 PolarHBondContact O-N 3.32Å; H12-E15 PolarHBondContact O-N 3.12Å; Q13-E15 VanDerWaalsContact C-N 3.29Å; Q13-E15 PolarHBondContact O-N 3.46Å; E15-S18 PolarHBondContact O-N 3.3Å; E15-S18 PolarHBondContact O-OG 3.43Å; E15-Q19 WeakPolarHBondContact O-CG 3.26Å; E15-Q19 PolarHBondContact O-N 3.22Å; E15-Q19 PolarHBondContact OE1-NE2 3.37Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.17Å; E15-F88 HydrophobicContact CB-CE1 4.02Å; E15-F88 HydrophobicContact CG-CE1 3.93Å; E15-L93 HydrophobicContact CG-CB 3.57Å
16I92.8Very high86.7Confident3 Ų362.7 Ų62.72%0.01532%0.324CS..Hα-helixtrans-63.4-44.6172.3-74.2158.6000110.9L8 H12 Q13 S18 Q19 L20 L25 V52 F86 F88 L93L8-I16 HydrophobicContact CD1-CD1 4.29Å; L8-I16 HydrophobicContact CD2-CD1 3.71Å; H12-I16 PolarHBondContact O-N 2.99Å; Q13-I16 PolarHBondContact O-N 3.41Å; I16-S18 PolarHBondContact O-N 2.85Å; I16-Q19 WeakPolarHBondContact O-CB 3.44Å; I16-Q19 PolarHBondContact O-N 3.03Å; I16-L20 HydrophobicContact CG2-CD1 3.81Å; I16-L20 WeakPolarHBondContact O-CG 3.25Å; I16-L20 PolarHBondContact O-N 2.84Å; I16-L25 HydrophobicContact CB-CD1 4.38Å; I16-L25 HydrophobicContact CG2-CD1 3.99Å; I16-L25 HydrophobicContact CG2-CD2 4.43Å; I16-V52 HydrophobicContact CD1-CG1 4.35Å; I16-V52 HydrophobicContact CG2-CG1 4.24Å; I16-V52 HydrophobicContact CG2-CG2 3.94Å; I16-F86 HydrophobicContact CD1-CE2 4.18Å; I16-F86 HydrophobicContact CD1-CZ 4.12Å; I16-F88 HydrophobicContact CD1-CE2 4.03Å; I16-F88 HydrophobicContact CD1-CZ 3.96Å; I16-F88 HydrophobicContact CG1-CE2 4.36Å; I16-F88 HydrophobicContact CG1-CZ 3.9Å; I16-L93 HydrophobicContact CB-CD1 4.41Å; I16-L93 HydrophobicContact CG1-CD1 3.53Å
17C88Confident86.9Confident23 Ų2362 Ų6216%0.15532%0.316CS..Hα-helixtrans-62.7-43.2178.9-68.40000111.8Q13 K14 Q19 L20 G21 V23Q13-C17 PolarHBondContact O-N 2.98Å; Q13-C17 PolarHBondContact O-SG 3.32Å; Q13-C17 VanDerWaalsContact O-SG 3.34Å; K14-C17 PolarHBondContact O-N 3.38Å; C17-Q19 PolarHBondContact O-N 2.99Å; C17-Q19 VanDerWaalsContact O-N 3.11Å; C17-L20 CarbonylContact O-C 3.52Å; C17-L20 PolarHBondContact O-N 3.13Å; C17-G21 PolarHBondContact O-N 3.31Å; C17-V23 HydrophobicContact CB-CG2 4.15Å; C17-V23 PolarHBondContact SG-O 2.91Å; C17-V23 VanDerWaalsContact SG-O 3.35Å
18S84Confident87Confident72 Ų7257.9 Ų57.950%0.50330%0.299SS..Hα-helixtrans-57.6-31.2178.677.10000112.5K14 E15 I16K14-S18 WeakPolarHBondContact O-CB 3.46Å; K14-S18 PolarHBondContact O-N 2.99Å; E15-S18 PolarHBondContact O-N 3.3Å; E15-S18 PolarHBondContact O-OG 3.43Å; I16-S18 PolarHBondContact O-N 2.85Å
19Q87.3Confident87.2Confident68 Ų6857.7 Ų57.732%0.31830%0.299SS..THydrogen-bonded Turntrans-79.8-15.1178.3-67.6-57.1-30.300114.3E15 I16 C17 L93 K95E15-Q19 WeakPolarHBondContact O-CG 3.26Å; E15-Q19 PolarHBondContact O-N 3.22Å; E15-Q19 PolarHBondContact OE1-NE2 3.37Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.17Å; I16-Q19 WeakPolarHBondContact O-CB 3.44Å; I16-Q19 PolarHBondContact O-N 3.03Å; C17-Q19 PolarHBondContact O-N 2.99Å; C17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-L93 HydrophobicContact CG-CD1 4.34Å; Q19-L93 HydrophobicContact CG-CD2 4.24Å; Q19-K95 VanDerWaalsContact CB-CE 3.48Å; Q19-K95 PolarHBondContact O-NZ 3.4Å; Q19-K95 VanDerWaalsContact O-NZ 3.08Å
20L85.1Confident87.6Confident37 Ų3756.3 Ų56.319%0.19429%0.286CS..THydrogen-bonded Turntrans-115.7-9-176.3-64.3178.1000113.2I16 C17 V23 V52 Y66 F84 V159I16-L20 HydrophobicContact CG2-CD1 3.81Å; I16-L20 WeakPolarHBondContact O-CG 3.25Å; I16-L20 PolarHBondContact O-N 2.84Å; C17-L20 CarbonylContact O-C 3.52Å; C17-L20 PolarHBondContact O-N 3.13Å; L20-V23 HydrophobicContact CB-CG2 3.79Å; L20-V52 HydrophobicContact CD1-CG2 3.72Å; L20-Y66 HydrophobicContact CD1-CD2 3.92Å; L20-Y66 HydrophobicContact CD1-CE2 4.07Å; L20-Y66 HydrophobicContact CD2-CD1 3.98Å; L20-Y66 HydrophobicContact CD2-CD2 3.73Å; L20-Y66 HydrophobicContact CD2-CE1 3.94Å; L20-Y66 HydrophobicContact CD2-CE2 3.69Å; L20-Y66 HydrophobicContact CD2-CG 3.86Å; L20-F84 HydrophobicContact CD2-CE1 3.73Å; L20-F84 HydrophobicContact CD2-CZ 3.78Å; L20-V159 HydrophobicContact CD1-CG1 4.26Å; L20-V159 HydrophobicContact CD1-CG2 4.07Å
21G79Confident88.2Confident40 Ų4049.7 Ų49.741%0.41226%0.256SS..SBendtrans98.6-151.1-179.900000113.3C17 V23C17-G21 PolarHBondContact O-N 3.31Å; G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 2.88Å
22H74.7Confident88.8Confident177 Ų17749.4 Ų49.482%0.81926%0.257SS*.SBendtrans-79.878.6-179.8-68.1-77.4000111.4L162H22-L162 HydrophobicContact CB-CD1 4.34Å; H22-L162 PolarHBondContact O-N 3.07Å
23V82Confident89Confident24 Ų2451 Ų5115%0.14527%0.268CS..EExtended strand (participates in β ladder)trans-131.9160.7-176.7-580000111.4C17 L20 G21 V159 L160C17-V23 HydrophobicContact CB-CG2 4.15Å; C17-V23 PolarHBondContact SG-O 2.91Å; C17-V23 VanDerWaalsContact SG-O 3.35Å; L20-V23 HydrophobicContact CB-CG2 3.79Å; G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 2.88Å; V23-V159 HydrophobicContact CB-CG1 3.7Å; V23-V159 HydrophobicContact CG1-CG1 3.76Å; V23-V159 HydrophobicContact CG2-CG1 3.83Å; V23-L160 WeakPolarHBondContact CA-O 3.41Å; V23-L160 WeakPolarHBondContact CB-O 3.39Å
24H84.8Confident89.2Confident83 Ų8350.7 Ų50.738%0.38427%0.267SS..EExtended strand (participates in β ladder)trans-125.7157.9164.973.9-82.6000110.6L160 L162H24-L160 VanDerWaalsContact CE1-CB 3.42Å; H24-L160 WeakPolarHBondContact CE1-CB 3.38Å; H24-L160 PolarHBondContact N-O 2.91Å; H24-L160 PolarHBondContact O-N 3.06Å; H24-L162 HydrophobicContact CB-CD2 4.32Å; H24-L162 WeakPolarHBondContact ND1-CD2 3.35Å
25L89.5Confident89.7Confident23 Ų2346.1 Ų46.112%0.1226%0.255CS..EExtended strand (participates in β ladder)trans-104.2116.7-175.9-60.5-178.6000109.9L8 Q13 I16 V52 Y157 V159L8-L25 HydrophobicContact CD2-CD1 4.19Å; Q13-L25 HydrophobicContact CG-CD1 4.44Å; I16-L25 HydrophobicContact CB-CD1 4.38Å; I16-L25 HydrophobicContact CG2-CD1 3.99Å; I16-L25 HydrophobicContact CG2-CD2 4.43Å; L25-V52 HydrophobicContact CD2-CG2 4.2Å; L25-Y157 HydrophobicContact CB-CD1 3.75Å; L25-Y157 HydrophobicContact CB-CG 4.04Å; L25-Y157 HydrophobicContact CD1-CG 4.49Å; L25-V159 HydrophobicContact CD2-CG2 3.95Å
26K90.8Very high90Very high104 Ų10446.5 Ų46.545%0.45226%0.255SS..EExtended strand (participates in β ladder)trans-97.9115.6172.5179.4179.1179.5176.10109.3L28 Y157 Q158 L160K26-L28 PolarHBondContact O-N 3.33Å; K26-Y157 CarbonylContact O-C 3.44Å; K26-Y157 WeakPolarHBondContact O-CA 3.45Å; K26-Q158 HydrophobicContact CB-CB 4.41Å; K26-Q158 PolarHBondContact N-O 2.96Å; K26-Q158 PolarHBondContact O-N 2.91Å; K26-L160 HydrophobicContact CB-CD1 3.89Å; K26-L160 HydrophobicContact CD-CD1 3.85Å
27L94.5Very high90.1Very high27 Ų2749.9 Ų49.914%0.14128%0.275CS..EExtended strand (participates in β ladder)trans-65.9119.7178.7-177.860.1000110.2M4 Y29 E155 Y157M4-L27 HydrophobicContact CB-CD2 3.91Å; L27-Y29 WeakPolarHBondContact CD1-O 3.42Å; L27-E155 HydrophobicContact CD1-CB 3.9Å; L27-E155 HydrophobicContact CD1-CG 4.22Å; L27-Y157 HydrophobicContact CB-CD1 3.94Å; L27-Y157 HydrophobicContact CB-CE1 3.87Å; L27-Y157 HydrophobicContact CD1-CD1 4.06Å; L27-Y157 HydrophobicContact CD1-CE1 3.73Å; L27-Y157 HydrophobicContact CD1-CE2 4.36Å; L27-Y157 HydrophobicContact CG-CE1 4.31Å
28L95.3Very high90.4Very high15 Ų1549.2 Ų49.28%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-99.1-46178.2-61.8177.7000111.3K26 H34 L48 T51 V156 Q158K26-L28 PolarHBondContact O-N 3.33Å; L28-H34 PolarHBondContact O-CE1 2.87Å; L28-L48 HydrophobicContact CD1-CB 4.02Å; L28-L48 HydrophobicContact CD1-CD1 3.56Å; L28-L48 HydrophobicContact CD1-CG 4.45Å; L28-L48 HydrophobicContact CD2-CD1 3.67Å; L28-L48 HydrophobicContact CG-CD1 4.21Å; L28-T51 HydrophobicContact CD1-CG2 4.5Å; L28-V156 WeakPolarHBondContact CB-O 3.39Å; L28-V156 PolarHBondContact N-O 3.44Å; L28-Q158 HydrophobicContact CD1-CB 3.81Å; L28-Q158 HydrophobicContact CD2-CB 4.07Å; L28-Q158 HydrophobicContact CG-CB 3.96Å
29Y96.6Very high91Very high0 Ų050 Ų500%028%0.277CS..EExtended strand (participates in β ladder)trans-136.6136.2-172.3168.3-94.6000110.8L27 A31 H34 G35 A40 F41 Q44 C45 C154 E155 V156L27-Y29 WeakPolarHBondContact CD1-O 3.42Å; Y29-A31 HydrophobicContact CE1-CB 3.9Å; Y29-A31 WeakPolarHBondContact OH-CB 3.36Å; Y29-H34 HydrophobicContact CD2-CB 3.83Å; Y29-H34 AromaticContact CD2-ND1 3.6Å; Y29-H34 HydrophobicContact CE2-CB 3.78Å; Y29-G35 PolarHBondContact OH-O 3.4Å; Y29-A40 HydrophobicContact CE2-CB 4.09Å; Y29-F41 HydrophobicContact CD1-CD2 4.43Å; Y29-F41 HydrophobicContact CE2-CB 4.26Å; Y29-Q44 HydrophobicContact CD2-CB 4.35Å; Y29-Q44 HydrophobicContact CD2-CG 4.23Å; Y29-C45 VanDerWaalsContact CB-SG 3.51Å; Y29-C154 HydrophobicContact CE1-CB 4.36Å; Y29-E155 CarbonylContact O-C 3.49Å; Y29-E155 VanDerWaalsContact O-CA 3.24Å; Y29-E155 WeakPolarHBondContact O-CA 3.44Å; Y29-V156 HydrophobicContact CD1-CB 4.47Å; Y29-V156 HydrophobicContact CD1-CG2 3.95Å; Y29-V156 PolarHBondContact N-O 3.43Å; Y29-V156 PolarHBondContact O-N 2.64Å
30K96.5Very high91.4Very high17 Ų1747.2 Ų47.27%0.07427%0.266CS..EExtended strand (participates in β ladder)trans-133.2116.8170.3179.5171.9-179.966.20108.6N5 T32 V33 H34 D153 C154 E155N5-K30 WeakPolarHBondContact O-CE 3.2Å; K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 VanDerWaalsContact CE-OG1 3.24Å; K30-T32 WeakPolarHBondContact CE-OG1 3.44Å; K30-T32 WeakPolarHBondContact CG-OG1 3.33Å; K30-T32 PolarHBondContact O-N 3.24Å; K30-V33 HydrophobicContact CB-CB 4.26Å; K30-V33 HydrophobicContact CB-CG2 4.27Å; K30-V33 HydrophobicContact CD-CG2 3.74Å; K30-V33 HydrophobicContact CG-CB 4.43Å; K30-V33 HydrophobicContact CG-CG2 4.02Å; K30-V33 PolarHBondContact O-N 3.43Å; K30-H34 PolarHBondContact N-ND1 3.19Å; K30-H34 PolarHBondContact O-N 3.45Å; K30-D153 IonicContact NZ-OD2 2.64Å; K30-D153 PolarHBondContact NZ-OD2 3.11Å; K30-C154 CarbonylContact C-O 3.46Å; K30-C154 WeakPolarHBondContact CA-O 3.37Å; K30-E155 HydrophobicContact CB-CG 4.4Å; K30-E155 WeakPolarHBondContact CD-OE1 3.33Å; K30-E155 HydrophobicContact CG-CG 4.14Å; K30-E155 IonicContact NZ-OE1 3.64Å; K30-E155 PolarHBondContact NZ-OE1 3.08Å
31A95.6Very high92Very high0 Ų045.4 Ų45.40%026%0.256CS..Hα-helixtrans-61.6-34-172.700000112.9Y29 V33 G35 Y36 D153 C154Y29-A31 HydrophobicContact CE1-CB 3.9Å; Y29-A31 WeakPolarHBondContact OH-CB 3.36Å; A31-V33 PolarHBondContact O-N 3.43Å; A31-G35 CarbonylContact O-C 3.55Å; A31-G35 VanDerWaalsContact O-C 3.3Å; A31-G35 WeakPolarHBondContact O-CA 3.24Å; A31-G35 PolarHBondContact O-N 2.78Å; A31-Y36 HydrophobicContact CB-CD1 3.58Å; A31-Y36 HydrophobicContact CB-CE1 3.47Å; A31-Y36 VanDerWaalsContact CB-CE1 3.47Å; A31-Y36 HydrophobicContact CB-CE2 4.44Å; A31-Y36 HydrophobicContact CB-CG 4.13Å; A31-D153 PolarHBondContact N-OD1 3.29Å; A31-C154 HydrophobicContact CB-CB 4Å; A31-C154 PolarHBondContact N-O 2.98Å
32T95Very high92.8Very high70 Ų7044 Ų4443%0.42924%0.239SC..Hα-helixtrans-68.6-16.6173.948.60000114.7K30 Y36 D153K30-T32 VanDerWaalsContact C-N 3.27Å; K30-T32 VanDerWaalsContact CE-OG1 3.24Å; K30-T32 WeakPolarHBondContact CE-OG1 3.44Å; K30-T32 WeakPolarHBondContact CG-OG1 3.33Å; K30-T32 PolarHBondContact O-N 3.24Å; T32-Y36 WeakPolarHBondContact CG2-OH 3.17Å; T32-D153 HydrophobicContact CG2-CB 4.17Å; T32-D153 VanDerWaalsContact CG2-CG 3.41Å; T32-D153 WeakPolarHBondContact CG2-OD1 3.31Å; T32-D153 WeakPolarHBondContact CG2-OD2 3.46Å; T32-D153 PolarHBondContact N-OD1 3.47Å; T32-D153 VanDerWaalsContact N-OD1 3.08Å; T32-D153 VanDerWaalsContact OG1-CG 3.29Å; T32-D153 PolarHBondContact OG1-OD1 3.22Å; T32-D153 VanDerWaalsContact OG1-OD1 3.14Å; T32-D153 PolarHBondContact OG1-OD2 3.09Å
33V94.7Very high93.8Very high58 Ų5842.8 Ų42.835%0.35223%0.234SC..Hα-helixtrans-102.7-45.3178.1175.80000111.3P2 M4 K30 A31P2-V33 HydrophobicContact CB-CG1 4.14Å; P2-V33 HydrophobicContact CG-CG1 3.93Å; M4-V33 HydrophobicContact CG-CG1 4.31Å; K30-V33 HydrophobicContact CB-CB 4.26Å; K30-V33 HydrophobicContact CB-CG2 4.27Å; K30-V33 HydrophobicContact CD-CG2 3.74Å; K30-V33 HydrophobicContact CG-CB 4.43Å; K30-V33 HydrophobicContact CG-CG2 4.02Å; K30-V33 PolarHBondContact O-N 3.43Å; A31-V33 PolarHBondContact O-N 3.43Å
34H94.6Very high94.5Very high50 Ų5044.9 Ų44.923%0.23124%0.242CC..Hα-helixtrans-93.5-11.2-176-57.8134.8000113.9M4 L28 Y29 K30 A40M4-H34 PolarHBondContact SD-CE1 3.2Å; L28-H34 PolarHBondContact O-CE1 2.87Å; Y29-H34 HydrophobicContact CD2-CB 3.83Å; Y29-H34 AromaticContact CD2-ND1 3.6Å; Y29-H34 HydrophobicContact CE2-CB 3.78Å; K30-H34 PolarHBondContact N-ND1 3.19Å; K30-H34 PolarHBondContact O-N 3.45Å; H34-A40 HydrophobicContact CB-CB 4.34Å; H34-A40 WeakPolarHBondContact O-CB 3.45Å
35G94.8Very high95.1Very high29 Ų2941 Ų4130%0.29922%0.224SC..  trans89.9155.7-175.200000113Y29 A31 T37Y29-G35 PolarHBondContact OH-O 3.4Å; A31-G35 CarbonylContact O-C 3.55Å; A31-G35 VanDerWaalsContact O-C 3.3Å; A31-G35 WeakPolarHBondContact O-CA 3.24Å; A31-G35 PolarHBondContact O-N 2.78Å; G35-T37 PolarHBondContact O-N 3.31Å
36Y95.1Very high95.4Very high56 Ų5641.4 Ų41.422%0.2223%0.226CC..SBendtrans-82.517.5-175.1-67.3-91000114.3A31 T32 V122 G125 P127 L151 I152A31-Y36 HydrophobicContact CB-CD1 3.58Å; A31-Y36 HydrophobicContact CB-CE1 3.47Å; A31-Y36 VanDerWaalsContact CB-CE1 3.47Å; A31-Y36 HydrophobicContact CB-CE2 4.44Å; A31-Y36 HydrophobicContact CB-CG 4.13Å; T32-Y36 WeakPolarHBondContact CG2-OH 3.17Å; Y36-V122 HydrophobicContact CD1-CG2 4.41Å; Y36-V122 WeakPolarHBondContact O-CG1 3.31Å; Y36-G125 CarbonylContact O-C 3.47Å; Y36-G125 WeakPolarHBondContact O-CA 3.15Å; Y36-P127 HydrophobicContact CD1-CB 3.57Å; Y36-P127 HydrophobicContact CD2-CB 4.46Å; Y36-P127 HydrophobicContact CE1-CB 3.62Å; Y36-P127 HydrophobicContact CG-CB 4.02Å; Y36-L151 HydrophobicContact CE1-CD2 4.48Å; Y36-I152 VanDerWaalsContact OH-C 3.31Å; Y36-I152 PolarHBondContact OH-O 2.87Å
37T95.4Very high95.4Very high74 Ų7441.2 Ų41.245%0.45424%0.238SC..  trans-83.8147.4-177.970.40000110.9G35 S39 A40 F41G35-T37 PolarHBondContact O-N 3.31Å; T37-S39 PolarHBondContact O-N 2.93Å; T37-A40 PolarHBondContact O-N 3.49Å; T37-A40 VanDerWaalsContact O-N 3.13Å; T37-A40 WeakPolarHBondContact OG1-CB 3.04Å; T37-A40 PolarHBondContact OG1-N 3.42Å; T37-A40 VanDerWaalsContact OG1-N 3.12Å; T37-F41 PolarHBondContact O-N 3.13Å
38A94.2Very high95.4Very high9 Ų942.3 Ų42.37%0.07424%0.244CC..Hα-helixtrans-58.5-38.6173.500000111.6A40 F41 H42A38-A40 VanDerWaalsContact C-N 3.3Å; A38-A40 PolarHBondContact O-N 3.34Å; A38-F41 PolarHBondContact O-N 3.29Å; A38-H42 PolarHBondContact O-CD2 3.16Å; A38-H42 PolarHBondContact O-N 2.84Å
39S95.6Very high95.2Very high88 Ų8843.6 Ų43.662%0.61525%0.254SS*.Hα-helixtrans-57.9-40.8175.5-174.10000112.6T37 Q43T37-S39 PolarHBondContact O-N 2.93Å; S39-Q43 WeakPolarHBondContact O-CB 3.34Å; S39-Q43 PolarHBondContact O-N 3.29Å
40A95.8Very high95.2Very high10 Ų1045.4 Ų45.48%0.08327%0.266CS..Hα-helixtrans-67.2-40178.400000111.8Y29 H34 T37 A38 Q44Y29-A40 HydrophobicContact CE2-CB 4.09Å; H34-A40 HydrophobicContact CB-CB 4.34Å; H34-A40 WeakPolarHBondContact O-CB 3.45Å; T37-A40 PolarHBondContact O-N 3.49Å; T37-A40 VanDerWaalsContact O-N 3.13Å; T37-A40 WeakPolarHBondContact OG1-CB 3.04Å; T37-A40 PolarHBondContact OG1-N 3.42Å; T37-A40 VanDerWaalsContact OG1-N 3.12Å; A38-A40 VanDerWaalsContact C-N 3.3Å; A38-A40 PolarHBondContact O-N 3.34Å; A40-Q44 VanDerWaalsContact O-CG 3.29Å; A40-Q44 WeakPolarHBondContact O-CG 3.47Å; A40-Q44 PolarHBondContact O-N 3.33Å
41F96.9Very high95.3Very high0 Ų044.6 Ų44.60%026%0.262CS..Hα-helixtrans-62-54.8173.6163.6-106.4000111.5Y29 T37 A38 Q43 Q44 C45 F71 G112 P113 V156Y29-F41 HydrophobicContact CD1-CD2 4.43Å; Y29-F41 HydrophobicContact CE2-CB 4.26Å; T37-F41 PolarHBondContact O-N 3.13Å; A38-F41 PolarHBondContact O-N 3.29Å; F41-Q43 VanDerWaalsContact C-N 3.3Å; F41-Q43 PolarHBondContact O-N 3.23Å; F41-Q44 PolarHBondContact O-N 3Å; F41-Q44 VanDerWaalsContact O-N 3.07Å; F41-C45 HydrophobicContact CD2-CB 3.87Å; F41-C45 HydrophobicContact CE2-CB 3.49Å; F41-C45 VanDerWaalsContact CE2-CB 3.49Å; F41-C45 HydrophobicContact CZ-CB 4.04Å; F41-C45 WeakPolarHBondContact O-CB 3.47Å; F41-C45 PolarHBondContact O-N 3.34Å; F41-F71 HydrophobicContact CE1-CB 4.44Å; F41-F71 HydrophobicContact CE1-CD1 4.47Å; F41-F71 HydrophobicContact CE1-CG 4.28Å; F41-F71 HydrophobicContact CE2-CD2 4.33Å; F41-F71 HydrophobicContact CE2-CE2 4.47Å; F41-F71 HydrophobicContact CZ-CB 4.18Å; F41-F71 HydrophobicContact CZ-CD1 4.07Å; F41-F71 AromaticContact CZ-CD2 3.65Å; F41-F71 HydrophobicContact CZ-CD2 3.65Å; F41-F71 HydrophobicContact CZ-CE1 4.37Å; F41-F71 AromaticContact CZ-CE2 3.97Å; F41-F71 HydrophobicContact CZ-CE2 3.97Å; F41-F71 AromaticContact CZ-CG 3.7Å; F41-F71 HydrophobicContact CZ-CG 3.7Å; F41-F71 HydrophobicContact CZ-CZ 4.33Å; F41-G112 VanDerWaalsContact CD1-CA 3.5Å; F41-P113 HydrophobicContact CD2-CG 4.13Å; F41-P113 HydrophobicContact CE2-CG 3.52Å; F41-P113 HydrophobicContact CZ-CB 4.44Å; F41-P113 HydrophobicContact CZ-CG 3.84Å; F41-V156 HydrophobicContact CD2-CG2 4.2Å; F41-V156 HydrophobicContact CE2-CG2 3.97Å
42H96.4Very high95.4Very high9 Ų944.6 Ų44.64%0.04226%0.262CS..Hα-helixtrans-61.5-38.3-176.8-74.7-61.7000112.4A38 Q44 D46 M108 N109 C111A38-H42 PolarHBondContact O-CD2 3.16Å; A38-H42 PolarHBondContact O-N 2.84Å; H42-Q44 VanDerWaalsContact C-N 3.25Å; H42-Q44 PolarHBondContact O-N 3.41Å; H42-D46 IonicContact CE1-OD1 3.46Å; H42-D46 IonicContact CG-OD1 3.17Å; H42-D46 IonicContact CG-OD2 3.68Å; H42-D46 IonicContact ND1-OD1 3.76Å; H42-D46 PolarHBondContact ND1-OD1 3.17Å; H42-D46 IonicContact ND1-OD2 2.71Å; H42-D46 PolarHBondContact ND1-OD2 3.42Å; H42-D46 VanDerWaalsContact O-CB 3.28Å; H42-D46 WeakPolarHBondContact O-CB 3.29Å; H42-D46 PolarHBondContact O-N 3.5Å; H42-D46 VanDerWaalsContact O-N 3.11Å; H42-M108 PolarHBondContact CE1-O 2.98Å; H42-M108 VanDerWaalsContact CE1-O 3.24Å; H42-M108 PolarHBondContact NE2-O 3.11Å; H42-N109 WeakPolarHBondContact NE2-CA 3.41Å; H42-C111 PolarHBondContact NE2-O 2.83Å
43Q96.4Very high95.6Very high153 Ų15341.2 Ų41.272%0.71524%0.242SC*.Hα-helixtrans-61.3-33176.4-174.5178.816.900113S39 F41S39-Q43 WeakPolarHBondContact O-CB 3.34Å; S39-Q43 PolarHBondContact O-N 3.29Å; F41-Q43 VanDerWaalsContact C-N 3.3Å; F41-Q43 PolarHBondContact O-N 3.23Å
44Q96.3Very high95.8Very high68 Ų6838.5 Ų38.532%0.31823%0.225SC..Hα-helixtrans-93.4-27.6-177-62.1-57.2-37.300113.4Y29 A40 F41 H42 L48Y29-Q44 HydrophobicContact CD2-CB 4.35Å; Y29-Q44 HydrophobicContact CD2-CG 4.23Å; A40-Q44 VanDerWaalsContact O-CG 3.29Å; A40-Q44 WeakPolarHBondContact O-CG 3.47Å; A40-Q44 PolarHBondContact O-N 3.33Å; F41-Q44 PolarHBondContact O-N 3Å; F41-Q44 VanDerWaalsContact O-N 3.07Å; H42-Q44 VanDerWaalsContact C-N 3.25Å; H42-Q44 PolarHBondContact O-N 3.41Å; Q44-L48 WeakPolarHBondContact O-CD1 3.48Å
45C96.4Very high96Very high0 Ų036.1 Ų36.10%021%0.214CC..Hα-helixtrans-118.8-22.5-164.5-63.10000115.2Y29 F41 L48Y29-C45 VanDerWaalsContact CB-SG 3.51Å; F41-C45 HydrophobicContact CD2-CB 3.87Å; F41-C45 HydrophobicContact CE2-CB 3.49Å; F41-C45 VanDerWaalsContact CE2-CB 3.49Å; F41-C45 HydrophobicContact CZ-CB 4.04Å; F41-C45 WeakPolarHBondContact O-CB 3.47Å; F41-C45 PolarHBondContact O-N 3.34Å; C45-L48 PolarHBondContact O-N 2.91Å
46D96.1Very high96.1Very high32 Ų3235.4 Ų35.417%0.17120%0.202CC..THydrogen-bonded Turntrans-59.2148.9-177.7-79.6-0.3000110.8H42 L48 F71 Q73H42-D46 IonicContact CE1-OD1 3.46Å; H42-D46 IonicContact CG-OD1 3.17Å; H42-D46 IonicContact CG-OD2 3.68Å; H42-D46 IonicContact ND1-OD1 3.76Å; H42-D46 PolarHBondContact ND1-OD1 3.17Å; H42-D46 IonicContact ND1-OD2 2.71Å; H42-D46 PolarHBondContact ND1-OD2 3.42Å; H42-D46 VanDerWaalsContact O-CB 3.28Å; H42-D46 WeakPolarHBondContact O-CB 3.29Å; H42-D46 PolarHBondContact O-N 3.5Å; H42-D46 VanDerWaalsContact O-N 3.11Å; D46-L48 PolarHBondContact O-N 2.97Å; D46-F71 WeakPolarHBondContact CA-O 3.27Å; D46-Q73 WeakPolarHBondContact OD2-CG 3.44Å; D46-Q73 PolarHBondContact OD2-NE2 2.82Å
47S92.3Very high96.2Very high100 Ų10032.8 Ų32.870%0.69919%0.192SC*.THydrogen-bonded Turntrans65.3-10.5-176.174.90000116.8F71S47-F71 PolarHBondContact N-O 2.91Å
48L93.2Very high96.3Very high51 Ų5134 Ų3427%0.26720%0.199SC..  trans-89.8132.8177.2-59.1177000110.8L28 Q44 C45 D46 T51L28-L48 HydrophobicContact CD1-CB 4.02Å; L28-L48 HydrophobicContact CD1-CD1 3.56Å; L28-L48 HydrophobicContact CD1-CG 4.45Å; L28-L48 HydrophobicContact CD2-CD1 3.67Å; L28-L48 HydrophobicContact CG-CD1 4.21Å; Q44-L48 WeakPolarHBondContact O-CD1 3.48Å; C45-L48 PolarHBondContact O-N 2.91Å; D46-L48 PolarHBondContact O-N 2.97Å; L48-T51 WeakPolarHBondContact O-CG2 3.16Å
49S91.4Very high96.4Very high42 Ų4236.9 Ų36.929%0.29422%0.219SC..  trans-157.3167.3176.278.70000111.7R68S49-R68 VanDerWaalsContact CB-O 3.25Å; S49-R68 WeakPolarHBondContact CB-O 3.39Å; S49-R68 PolarHBondContact OG-O 2.84Å
50P97.1Very high96.4Very high37 Ų3735.6 Ų35.624%0.2422%0.219CC..SBendcis-60.7160.3-19.4-19.733.4000111.8Y66 T67 R68 V159P50-Y66 HydrophobicContact CB-CE2 3.75Å; P50-T67 CarbonylContact C-O 3.56Å; P50-T67 WeakPolarHBondContact CA-O 3.2Å; P50-T67 WeakPolarHBondContact CB-O 3.22Å; P50-R68 HydrophobicContact CB-CG 4.32Å; P50-R68 HydrophobicContact CG-CG 4.25Å; P50-V159 HydrophobicContact CB-CB 4.08Å; P50-V159 HydrophobicContact CB-CG2 4.45Å; P50-V159 PolarHBondContact O-N 3.25Å
51T98.1Very high96.5Very high0 Ų039 Ų390%023%0.231CC..EExtended strand (participates in β ladder)trans-131.2149.2179.357.50000113.2L28 L48 Y66 T67 F71 V156 Y157L28-T51 HydrophobicContact CD1-CG2 4.5Å; L48-T51 WeakPolarHBondContact O-CG2 3.16Å; T51-Y66 WeakPolarHBondContact O-CA 3.36Å; T51-Y66 VanDerWaalsContact O-CD2 3.32Å; T51-Y66 WeakPolarHBondContact O-CD2 3.36Å; T51-T67 PolarHBondContact N-O 3.38Å; T51-T67 PolarHBondContact O-N 2.88Å; T51-F71 WeakPolarHBondContact OG1-CE2 3.46Å; T51-V156 HydrophobicContact CG2-CG1 4.38Å; T51-Y157 CarbonylContact C-O 3.46Å; T51-Y157 WeakPolarHBondContact CA-O 3.33Å; T51-Y157 WeakPolarHBondContact CB-O 3.37Å
52V98.5Very high96.6Very high0 Ų040.4 Ų40.40%024%0.238CC..EExtended strand (participates in β ladder)trans-113.6123.5165.51740000107.4I16 L20 L25 V54 Y66 F86 V156 Y157 V159I16-V52 HydrophobicContact CD1-CG1 4.35Å; I16-V52 HydrophobicContact CG2-CG1 4.24Å; I16-V52 HydrophobicContact CG2-CG2 3.94Å; L20-V52 HydrophobicContact CD1-CG2 3.72Å; L25-V52 HydrophobicContact CD2-CG2 4.2Å; V52-V54 HydrophobicContact CG1-CG2 3.92Å; V52-Y66 HydrophobicContact CG2-CD2 3.83Å; V52-F86 HydrophobicContact CG1-CE1 3.99Å; V52-F86 HydrophobicContact CG1-CZ 4.05Å; V52-V156 WeakPolarHBondContact O-CA 3.45Å; V52-Y157 PolarHBondContact N-O 2.89Å; V52-Y157 PolarHBondContact O-N 2.76Å; V52-V159 HydrophobicContact CB-CG2 4.44Å; V52-V159 HydrophobicContact CG2-CG2 3.58Å
53S98.5Very high96.6Very high0 Ų040 Ų400%024%0.236CC..EExtended strand (participates in β ladder)trans-106.7132.3173.5-560000109.4G64 G65 P113 E155S53-G64 CarbonylContact O-C 3.5Å; S53-G64 WeakPolarHBondContact O-CA 3.5Å; S53-G65 PolarHBondContact N-O 2.83Å; S53-G65 PolarHBondContact O-N 2.54Å; S53-P113 VanDerWaalsContact OG-CB 3.31Å; S53-P113 WeakPolarHBondContact OG-CB 3.41Å; S53-P113 VanDerWaalsContact OG-CG 3.26Å; S53-P113 WeakPolarHBondContact OG-CG 3.23Å; S53-E155 CarbonylContact C-O 3.59Å; S53-E155 WeakPolarHBondContact CA-O 2.99Å
54V98.5Very high96.7Very high0 Ų032.7 Ų32.70%020%0.202CC..EExtended strand (participates in β ladder)trans-127120.6-175.7-166.80000109.7L8 V52 Y56 I62 F63 F86 C154 E155 Y157L8-V54 HydrophobicContact CD1-CG1 4.26Å; L8-V54 HydrophobicContact CD2-CG2 4.42Å; V52-V54 HydrophobicContact CG1-CG2 3.92Å; V54-Y56 HydrophobicContact CB-CE2 4.18Å; V54-Y56 HydrophobicContact CG1-CE1 4.35Å; V54-Y56 HydrophobicContact CG1-CE2 3.82Å; V54-I62 HydrophobicContact CG1-CG2 3.53Å; V54-F63 CarbonylContact C-O 3.43Å; V54-F63 WeakPolarHBondContact CA-O 3.49Å; V54-F86 HydrophobicContact CG2-CZ 4.21Å; V54-C154 CarbonylContact O-C 2.93Å; V54-C154 VanDerWaalsContact O-CA 3.3Å; V54-C154 WeakPolarHBondContact O-CA 3.39Å; V54-E155 PolarHBondContact N-O 3.13Å; V54-E155 PolarHBondContact O-N 3.15Å; V54-Y157 HydrophobicContact CB-CE2 4.49Å; V54-Y157 HydrophobicContact CG2-CD2 4.08Å; V54-Y157 HydrophobicContact CG2-CE2 3.75Å
55G98.1Very high96.8Very high0 Ų029.4 Ų29.40%019%0.186CC..EExtended strand (participates in β ladder)trans-99.4144.9170.200000111.8F63G55-F63 PolarHBondContact N-O 3.32Å; G55-F63 PolarHBondContact O-N 2.61Å; G55-F63 VanDerWaalsContact O-N 3.13Å
56Y98.1Very high96.9Very high14 Ų1430.6 Ų30.66%0.05519%0.191CC..EExtended strand (participates in β ladder)trans-121.4127.7173.7-56.9-94.4000107.5K7 L8 V54 I62 L151 I152 D153 E155K7-Y56 HydrophobicContact CB-CE1 4.1Å; K7-Y56 HydrophobicContact CB-CE2 4.25Å; L8-Y56 WeakPolarHBondContact CA-OH 3.32Å; L8-Y56 VanDerWaalsContact CB-OH 3.32Å; L8-Y56 WeakPolarHBondContact CB-OH 3.4Å; L8-Y56 PolarHBondContact N-OH 3.41Å; L8-Y56 VanDerWaalsContact N-OH 3.1Å; V54-Y56 HydrophobicContact CB-CE2 4.18Å; V54-Y56 HydrophobicContact CG1-CE1 4.35Å; V54-Y56 HydrophobicContact CG1-CE2 3.82Å; Y56-I62 HydrophobicContact CD1-CD1 4.44Å; Y56-I62 HydrophobicContact CD1-CG1 3.9Å; Y56-I62 HydrophobicContact CD1-CG2 4.34Å; Y56-I62 HydrophobicContact CE1-CB 4.5Å; Y56-I62 HydrophobicContact CE1-CD1 4.13Å; Y56-I62 HydrophobicContact CE1-CG1 3.96Å; Y56-I62 HydrophobicContact CE1-CG2 3.88Å; Y56-L151 CarbonylContact O-C 3.54Å; Y56-L151 WeakPolarHBondContact O-CA 3.35Å; Y56-L151 VanDerWaalsContact O-CD1 3.31Å; Y56-L151 WeakPolarHBondContact O-CD1 3.39Å; Y56-I152 VanDerWaalsContact O-CG1 3.26Å; Y56-I152 WeakPolarHBondContact O-CG1 3.3Å; Y56-I152 PolarHBondContact O-N 3.3Å; Y56-D153 HydrophobicContact CD2-CB 3.87Å; Y56-D153 HydrophobicContact CG-CB 4.39Å; Y56-D153 PolarHBondContact N-O 3.39Å; Y56-D153 PolarHBondContact O-N 3.11Å; Y56-E155 HydrophobicContact CE2-CB 4.3Å; Y56-E155 HydrophobicContact CE2-CG 3.99Å; Y56-E155 PolarHBondContact OH-OE2 2.89Å
57N97.4Very high97Very high1 Ų129 Ų291%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-108.3171.1175.974.65.7000113S59 G60 Y61 F63 H145 D148 N150N57-S59 PolarHBondContact O-N 3.17Å; N57-S59 PolarHBondContact OD1-N 3.46Å; N57-G60 PolarHBondContact O-N 2.8Å; N57-G60 VanDerWaalsContact O-N 3.13Å; N57-G60 PolarHBondContact OD1-N 3.33Å; N57-G60 VanDerWaalsContact OD1-N 3.14Å; N57-Y61 PolarHBondContact N-O 2.98Å; N57-Y61 WeakPolarHBondContact OD1-CB 3.42Å; N57-Y61 PolarHBondContact OD1-N 3.34Å; N57-F63 HydrophobicContact CB-CE1 4Å; N57-F63 HydrophobicContact CB-CZ 4.38Å; N57-H145 PolarHBondContact ND2-O 3.28Å; N57-D148 PolarHBondContact ND2-O 3.13Å; N57-N150 WeakPolarHBondContact CA-O 3.31Å; N57-N150 WeakPolarHBondContact CB-O 3.43Å
58V96.3Very high97.2Very high100 Ų10027.9 Ų27.961%0.60616%0.163SC*.THydrogen-bonded Turntrans-61.8-34.8-178.8176.90000111.3G60 D148 N150 I152V58-G60 PolarHBondContact O-N 3.43Å; V58-D148 PolarHBondContact N-OD2 3.41Å; V58-N150 HydrophobicContact CG2-CB 3.86Å; V58-N150 PolarHBondContact N-O 3.34Å; V58-N150 VanDerWaalsContact N-O 3.15Å; V58-I152 HydrophobicContact CB-CG2 4.21Å; V58-I152 HydrophobicContact CG2-CG2 3.42Å; V58-I152 VanDerWaalsContact CG2-CG2 3.42Å
59S96.8Very high97.4Very high70 Ų7028.4 Ų28.449%0.4916%0.164SC..THydrogen-bonded Turntrans-73.51.6177.9-58.40000114.4N57 D148N57-S59 PolarHBondContact O-N 3.17Å; N57-S59 PolarHBondContact OD1-N 3.46Å; S59-D148 WeakPolarHBondContact CB-OD2 3.47Å; S59-D148 PolarHBondContact N-OD2 2.97Å; S59-D148 VanDerWaalsContact OG-CB 3.27Å; S59-D148 WeakPolarHBondContact OG-CB 3.43Å; S59-D148 VanDerWaalsContact OG-CG 3.3Å; S59-D148 PolarHBondContact OG-OD2 3.49Å
60G95.5Very high97.6Very high60 Ų6028.3 Ų28.362%0.61916%0.163SC*.  trans859.2174.400000115.2N57 V58N57-G60 PolarHBondContact O-N 2.8Å; N57-G60 VanDerWaalsContact O-N 3.13Å; N57-G60 PolarHBondContact OD1-N 3.33Å; N57-G60 VanDerWaalsContact OD1-N 3.14Å; V58-G60 PolarHBondContact O-N 3.43Å
61Y97.9Very high97.6Very high82 Ų8226.8 Ų26.832%0.32215%0.152SC..  trans-75.6143.8175.1-72.3-107.8000110.9N57 Q143N57-Y61 PolarHBondContact N-O 2.98Å; N57-Y61 WeakPolarHBondContact OD1-CB 3.42Å; N57-Y61 PolarHBondContact OD1-N 3.34Å; Y61-Q143 WeakPolarHBondContact CE1-O 3.48Å
62I98.2Very high97.3Very high29 Ų2929.7 Ų29.715%0.14917%0.168CC..EExtended strand (participates in β ladder)trans-120.8115.7174.5-52.9174.5000107.1L8 H12 V54 Y56 T87 F88L8-I62 HydrophobicContact CD1-CG2 4.16Å; H12-I62 VanDerWaalsContact CE1-CD1 3.5Å; H12-I62 WeakPolarHBondContact CE1-CD1 3.36Å; V54-I62 HydrophobicContact CG1-CG2 3.53Å; Y56-I62 HydrophobicContact CD1-CD1 4.44Å; Y56-I62 HydrophobicContact CD1-CG1 3.9Å; Y56-I62 HydrophobicContact CD1-CG2 4.34Å; Y56-I62 HydrophobicContact CE1-CB 4.5Å; Y56-I62 HydrophobicContact CE1-CD1 4.13Å; Y56-I62 HydrophobicContact CE1-CG1 3.96Å; Y56-I62 HydrophobicContact CE1-CG2 3.88Å; I62-T87 PolarHBondContact O-OG1 3.45Å; I62-F88 HydrophobicContact CB-CD2 3.98Å; I62-F88 HydrophobicContact CG2-CD2 3.8Å; I62-F88 HydrophobicContact CG2-CE2 4.18Å; I62-F88 PolarHBondContact O-N 3.09Å
63F98.4Very high97.2Very high0 Ų034.7 Ų34.70%019%0.191CC..EExtended strand (participates in β ladder)trans-152.1167.3-171.358.9-87.3000110.9V54 G55 N57 F86 L119 L121 V129 M144 H145V54-F63 CarbonylContact C-O 3.43Å; V54-F63 WeakPolarHBondContact CA-O 3.49Å; G55-F63 PolarHBondContact N-O 3.32Å; G55-F63 PolarHBondContact O-N 2.61Å; G55-F63 VanDerWaalsContact O-N 3.13Å; N57-F63 HydrophobicContact CB-CE1 4Å; N57-F63 HydrophobicContact CB-CZ 4.38Å; F63-F86 CarbonylContact C-O 3.55Å; F63-F86 WeakPolarHBondContact CA-O 3.43Å; F63-F86 WeakPolarHBondContact CB-O 3.33Å; F63-L119 HydrophobicContact CD2-CD1 4.43Å; F63-L119 HydrophobicContact CD2-CD2 4.38Å; F63-L119 HydrophobicContact CE2-CD1 4.31Å; F63-L121 HydrophobicContact CD2-CD2 4.42Å; F63-L121 HydrophobicContact CE2-CD2 3.89Å; F63-V129 HydrophobicContact CE2-CG1 4.16Å; F63-V129 HydrophobicContact CE2-CG2 4.03Å; F63-V129 HydrophobicContact CZ-CG2 3.94Å; F63-M144 HydrophobicContact CB-CE 3.85Å; F63-M144 HydrophobicContact CB-CG 4.45Å; F63-M144 WeakPolarHBondContact CB-O 3.49Å; F63-M144 HydrophobicContact CB-SD 4.08Å; F63-M144 HydrophobicContact CD2-CE 4.1Å; F63-M144 HydrophobicContact CG-CE 4.41Å; F63-H145 HydrophobicContact CD1-CB 3.82Å; F63-H145 HydrophobicContact CD2-CB 4.31Å; F63-H145 HydrophobicContact CE1-CB 3.56Å; F63-H145 HydrophobicContact CE2-CB 4.07Å; F63-H145 HydrophobicContact CG-CB 4.19Å; F63-H145 HydrophobicContact CZ-CB 3.68Å
64G98.1Very high97.1Very high0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans166.2-151.2-179.100000113.9S53 L85 F86S53-G64 CarbonylContact O-C 3.5Å; S53-G64 WeakPolarHBondContact O-CA 3.5Å; G64-L85 CarbonylContact O-C 3.44Å; G64-L85 VanDerWaalsContact O-CA 3.24Å; G64-L85 WeakPolarHBondContact O-CA 3.17Å; G64-L85 WeakPolarHBondContact O-CD2 3.2Å; G64-F86 PolarHBondContact N-O 3.39Å; G64-F86 PolarHBondContact O-N 2.85Å
65G98.2Very high96.9Very high0 Ų039.3 Ų39.30%023%0.228CC..EExtended strand (participates in β ladder)trans-151.3154.8-175.800000113.8S53 F84 F115S53-G65 PolarHBondContact N-O 2.83Å; S53-G65 PolarHBondContact O-N 2.54Å; G65-F84 CarbonylContact C-O 3.49Å; G65-F84 VanDerWaalsContact CA-O 3.31Å; G65-F84 WeakPolarHBondContact CA-O 3.32Å; G65-F115 VanDerWaalsContact C-CZ 3.42Å; G65-F115 WeakPolarHBondContact O-CZ 3.35Å
66Y98.6Very high96.8Very high24 Ų2445.5 Ų45.59%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-116.6140.1173.7166.7-98.4000110.3L20 P50 T51 V52 R68 A83 F84 V159L20-Y66 HydrophobicContact CD1-CD2 3.92Å; L20-Y66 HydrophobicContact CD1-CE2 4.07Å; L20-Y66 HydrophobicContact CD2-CD1 3.98Å; L20-Y66 HydrophobicContact CD2-CD2 3.73Å; L20-Y66 HydrophobicContact CD2-CE1 3.94Å; L20-Y66 HydrophobicContact CD2-CE2 3.69Å; L20-Y66 HydrophobicContact CD2-CG 3.86Å; P50-Y66 HydrophobicContact CB-CE2 3.75Å; T51-Y66 WeakPolarHBondContact O-CA 3.36Å; T51-Y66 VanDerWaalsContact O-CD2 3.32Å; T51-Y66 WeakPolarHBondContact O-CD2 3.36Å; V52-Y66 HydrophobicContact CG2-CD2 3.83Å; Y66-R68 HydrophobicContact CE1-CG 4.14Å; Y66-R68 VanDerWaalsContact OH-CG 3.25Å; Y66-R68 WeakPolarHBondContact OH-CG 3.35Å; Y66-A83 VanDerWaalsContact O-CA 3.32Å; Y66-A83 WeakPolarHBondContact O-CA 3.46Å; Y66-A83 WeakPolarHBondContact O-CB 3.36Å; Y66-F84 AromaticContact CD1-CD1 3.72Å; Y66-F84 HydrophobicContact CD1-CD1 3.72Å; Y66-F84 AromaticContact CD1-CE1 3.34Å; Y66-F84 HydrophobicContact CD1-CE1 3.34Å; Y66-F84 HydrophobicContact CD1-CZ 4.13Å; Y66-F84 HydrophobicContact CE1-CE1 4.2Å; Y66-F84 HydrophobicContact CG-CD1 4.28Å; Y66-F84 AromaticContact CG-CE1 3.68Å; Y66-F84 HydrophobicContact CG-CE1 3.68Å; Y66-F84 AromaticContact CG-CZ 3.98Å; Y66-F84 HydrophobicContact CG-CZ 3.98Å; Y66-F84 PolarHBondContact N-O 2.89Å; Y66-F84 PolarHBondContact O-N 3.2Å; Y66-V159 HydrophobicContact CD2-CG2 4.21Å; Y66-V159 HydrophobicContact CE2-CG2 3.98Å
67T98Very high96.7Very high0 Ų048.6 Ų48.60%027%0.269CS..EExtended strand (participates in β ladder)trans-148149.1169.6-176.70000111.8P50 T51 Q69 F71 D80 V105 F115P50-T67 CarbonylContact C-O 3.56Å; P50-T67 WeakPolarHBondContact CA-O 3.2Å; P50-T67 WeakPolarHBondContact CB-O 3.22Å; T51-T67 PolarHBondContact N-O 3.38Å; T51-T67 PolarHBondContact O-N 2.88Å; T67-Q69 PolarHBondContact OG1-N 3.44Å; T67-F71 HydrophobicContact CG2-CE2 4.43Å; T67-F71 HydrophobicContact CG2-CZ 4.19Å; T67-D80 VanDerWaalsContact CA-OD2 3.31Å; T67-D80 WeakPolarHBondContact CA-OD2 3.37Å; T67-D80 PolarHBondContact OG1-OD2 3.4Å; T67-V105 HydrophobicContact CG2-CG2 3.98Å; T67-V105 WeakPolarHBondContact OG1-CG2 3.41Å; T67-F115 HydrophobicContact CG2-CE1 4.02Å
68R96.2Very high96.7Very high76 Ų7649.2 Ų49.229%0.28728%0.275SS..SBendtrans-83.6-12.7168.9-65.9-179.3-61.5163.54.5113.4S49 P50 Y66 D80 D81S49-R68 VanDerWaalsContact CB-O 3.25Å; S49-R68 WeakPolarHBondContact CB-O 3.39Å; S49-R68 PolarHBondContact OG-O 2.84Å; P50-R68 HydrophobicContact CB-CG 4.32Å; P50-R68 HydrophobicContact CG-CG 4.25Å; Y66-R68 HydrophobicContact CE1-CG 4.14Å; Y66-R68 VanDerWaalsContact OH-CG 3.25Å; Y66-R68 WeakPolarHBondContact OH-CG 3.35Å; R68-D80 IonicContact CZ-OD1 3.78Å; R68-D80 PolarHBondContact N-OD2 3.32Å; R68-D80 IonicContact NE-OD1 3.96Å; R68-D80 PolarHBondContact NE-OD1 2.87Å; R68-D80 IonicContact NH2-OD1 2.85Å; R68-D80 PolarHBondContact NH2-OD1 3.3Å; R68-D81 IonicContact CZ-OD1 2.75Å; R68-D81 IonicContact NH2-OD1 3.77Å; R68-D81 PolarHBondContact NH2-OD1 3Å
69Q97.3Very high96.8Very high61 Ų6148.8 Ų48.829%0.28527%0.269SS..SBendtrans-81.8135.3-176.9-62.7-60.3-27.700110.4T67 A78 N79 D80 M107T67-Q69 PolarHBondContact OG1-N 3.44Å; Q69-A78 HydrophobicContact CB-CB 4.02Å; Q69-A78 HydrophobicContact CG-CB 3.89Å; Q69-N79 VanDerWaalsContact CD-O 3.28Å; Q69-N79 WeakPolarHBondContact CG-O 3.32Å; Q69-N79 PolarHBondContact NE2-O 2.87Å; Q69-D80 HydrophobicContact CG-CB 3.88Å; Q69-M107 HydrophobicContact CB-CE 4.23Å
70P95.7Very high96.8Very high41 Ų4145.4 Ų45.427%0.26625%0.246SC..PPolyproline II helixtrans-70.1134171.128.3-31.7000109.8M107P70-M107 VanDerWaalsContact O-CE 3.26Å; P70-M107 WeakPolarHBondContact O-CE 3.42Å
71F96.5Very high96.9Very high4 Ų447.5 Ų47.52%0.01824%0.243CC..PPolyproline II helixtrans-63.3146.5169.9-68-74000110.5F41 D46 S47 T51 T67 V105 M107 P113 F115F41-F71 HydrophobicContact CE1-CB 4.44Å; F41-F71 HydrophobicContact CE1-CD1 4.47Å; F41-F71 HydrophobicContact CE1-CG 4.28Å; F41-F71 HydrophobicContact CE2-CD2 4.33Å; F41-F71 HydrophobicContact CE2-CE2 4.47Å; F41-F71 HydrophobicContact CZ-CB 4.18Å; F41-F71 HydrophobicContact CZ-CD1 4.07Å; F41-F71 AromaticContact CZ-CD2 3.65Å; F41-F71 HydrophobicContact CZ-CD2 3.65Å; F41-F71 HydrophobicContact CZ-CE1 4.37Å; F41-F71 AromaticContact CZ-CE2 3.97Å; F41-F71 HydrophobicContact CZ-CE2 3.97Å; F41-F71 AromaticContact CZ-CG 3.7Å; F41-F71 HydrophobicContact CZ-CG 3.7Å; F41-F71 HydrophobicContact CZ-CZ 4.33Å; D46-F71 WeakPolarHBondContact CA-O 3.27Å; S47-F71 PolarHBondContact N-O 2.91Å; T51-F71 WeakPolarHBondContact OG1-CE2 3.46Å; T67-F71 HydrophobicContact CG2-CE2 4.43Å; T67-F71 HydrophobicContact CG2-CZ 4.19Å; F71-V105 HydrophobicContact CD1-CG1 4.06Å; F71-V105 HydrophobicContact CE1-CG1 3.62Å; F71-M107 HydrophobicContact CD1-SD 4.26Å; F71-P113 HydrophobicContact CE1-CB 4.4Å; F71-P113 HydrophobicContact CZ-CB 3.89Å; F71-F115 HydrophobicContact CZ-CZ 4.26Å
72N92.9Very high96.8Very high62 Ų6251.3 Ų51.333%0.33226%0.256SS..  trans-154.1-174.7171.664.271.1000108.9S74 M107N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 3.4Å; N72-S74 PolarHBondContact OD1-OG 3Å; N72-M107 PolarHBondContact N-SD 3.16Å; N72-M107 VanDerWaalsContact N-SD 3.36Å; N72-M107 CarbonylContact O-C 3.57Å; N72-M107 WeakPolarHBondContact O-CA 3.45Å; N72-M107 WeakPolarHBondContact O-CB 3.27Å; N72-M107 WeakPolarHBondContact OD1-CB 3.43Å; N72-M107 WeakPolarHBondContact OD1-CG 3.14Å
73Q95.9Very high96.8Very high105 Ų10550 Ų5049%0.49125%0.25SC..SBendtrans-11724.2-172.2-65.9173.964.900112.8D46 G75 M107 N109D46-Q73 WeakPolarHBondContact OD2-CG 3.44Å; D46-Q73 PolarHBondContact OD2-NE2 2.82Å; Q73-G75 VanDerWaalsContact C-N 3.26Å; Q73-G75 PolarHBondContact O-N 2.74Å; Q73-M107 CarbonylContact C-O 3.56Å; Q73-N109 HydrophobicContact CB-CB 3.9Å; Q73-N109 HydrophobicContact CG-CB 4.03Å
74S95.9Very high96.8Very high65 Ų6550.9 Ų50.946%0.45525%0.254SS..SBendtrans-71.7-14.6-175.761.90000115N72 Q76 M107N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 3.4Å; N72-S74 PolarHBondContact OD1-OG 3Å; S74-Q76 PolarHBondContact O-N 3.02Å; S74-Q76 PolarHBondContact OG-N 2.96Å; S74-M107 PolarHBondContact N-O 2.86Å; S74-M107 WeakPolarHBondContact OG-CB 3.28Å
75G94.4Very high96.8Very high31 Ų3150.9 Ų50.932%0.3225%0.254SS..SBendtrans72.8-2.7-171.100000114.7Q73 M107Q73-G75 VanDerWaalsContact C-N 3.26Å; Q73-G75 PolarHBondContact O-N 2.74Å; G75-M107 VanDerWaalsContact CA-O 3.24Å; G75-M107 WeakPolarHBondContact CA-O 3.41Å; G75-M107 PolarHBondContact N-O 3.16Å
76Q96.3Very high96.8Very high130 Ų13050.9 Ų50.961%0.60725%0.254SS*.  trans-86164.2-177.8-58.2-56.3-46.900112.4S74 M107S74-Q76 PolarHBondContact O-N 3.02Å; S74-Q76 PolarHBondContact OG-N 2.96Å; Q76-M107 WeakPolarHBondContact O-CB 3.5Å; Q76-M107 WeakPolarHBondContact O-CG 3.42Å; Q76-M107 PolarHBondContact O-N 3.15Å
77Y97.1Very high96.8Very high79 Ų7949.8 Ų49.831%0.3125%0.25SC..EExtended strand (participates in β ladder)trans-81.4148.1166.5-65.7-78.9000110.9A102 Y103 V105 R106 E117 Y136Y77-A102 WeakPolarHBondContact CB-O 3.32Å; Y77-Y103 AromaticContact CD1-CD1 3.73Å; Y77-Y103 HydrophobicContact CD1-CD1 3.73Å; Y77-Y103 HydrophobicContact CD1-CG 4.38Å; Y77-Y103 AromaticContact CD2-CD1 3.54Å; Y77-Y103 HydrophobicContact CD2-CD1 3.54Å; Y77-Y103 AromaticContact CD2-CE1 3.76Å; Y77-Y103 HydrophobicContact CD2-CE1 3.76Å; Y77-Y103 AromaticContact CE1-CD1 3.84Å; Y77-Y103 HydrophobicContact CE1-CD1 3.84Å; Y77-Y103 AromaticContact CE2-CD1 3.63Å; Y77-Y103 HydrophobicContact CE2-CD1 3.63Å; Y77-Y103 AromaticContact CE2-CE1 3.81Å; Y77-Y103 HydrophobicContact CE2-CE1 3.81Å; Y77-Y103 AromaticContact CG-CD1 3.58Å; Y77-Y103 HydrophobicContact CG-CD1 3.58Å; Y77-Y103 HydrophobicContact CG-CE1 4.24Å; Y77-Y103 HydrophobicContact CG-CG 4.42Å; Y77-Y103 AromaticContact CZ-CD1 3.79Å; Y77-V105 CarbonylContact C-O 3.54Å; Y77-V105 WeakPolarHBondContact CA-O 3.46Å; Y77-R106 HydrophobicContact CD1-CB 4.05Å; Y77-R106 HydrophobicContact CD1-CG 4.09Å; Y77-R106 HydrophobicContact CE1-CB 3.99Å; Y77-R106 HydrophobicContact CE1-CG 3.85Å; Y77-E117 HydrophobicContact CE1-CG 4.27Å; Y77-E117 PolarHBondContact OH-OE1 2.91Å; Y77-Y136 HydrophobicContact CE1-CE2 4.46Å
78A97.3Very high96.7Very high15 Ų1550.7 Ų50.712%0.12425%0.253CS..EExtended strand (participates in β ladder)trans-114.3136.7171.200000110.6Q69 A104 V105 M107Q69-A78 HydrophobicContact CB-CB 4.02Å; Q69-A78 HydrophobicContact CG-CB 3.89Å; A78-A104 PolarHBondContact O-N 2.97Å; A78-V105 HydrophobicContact CB-CB 4.46Å; A78-V105 PolarHBondContact N-O 3.27Å; A78-V105 PolarHBondContact O-N 3.42Å; A78-M107 HydrophobicContact CB-CE 3.42Å; A78-M107 VanDerWaalsContact CB-CE 3.42Å
79N97.4Very high96.6Very high90 Ų9052.9 Ų52.948%0.48127%0.267SS..  trans-78.8128.4178.1-179.8-82.6000111.2Q69 A101 A102Q69-N79 VanDerWaalsContact CD-O 3.28Å; Q69-N79 WeakPolarHBondContact CG-O 3.32Å; Q69-N79 PolarHBondContact NE2-O 2.87Å; N79-A101 CarbonylContact C-O 3.41Å; N79-A101 WeakPolarHBondContact CA-O 3.46Å; N79-A102 WeakPolarHBondContact ND2-CA 3.39Å; N79-A102 PolarHBondContact ND2-N 2.7Å
80D97.5Very high96.2Very high0 Ų052.9 Ų52.90%028%0.284CS..  trans-152.7103.1171.1-169.10.6000111.7T67 R68 Q69 R82 A83 V98 A101 A104T67-D80 VanDerWaalsContact CA-OD2 3.31Å; T67-D80 WeakPolarHBondContact CA-OD2 3.37Å; T67-D80 PolarHBondContact OG1-OD2 3.4Å; R68-D80 IonicContact CZ-OD1 3.78Å; R68-D80 PolarHBondContact N-OD2 3.32Å; R68-D80 IonicContact NE-OD1 3.96Å; R68-D80 PolarHBondContact NE-OD1 2.87Å; R68-D80 IonicContact NH2-OD1 2.85Å; R68-D80 PolarHBondContact NH2-OD1 3.3Å; Q69-D80 HydrophobicContact CG-CB 3.88Å; D80-R82 PolarHBondContact O-N 2.97Å; D80-R82 PolarHBondContact OD1-N 3.4Å; D80-R82 VanDerWaalsContact OD1-N 3.12Å; D80-A83 HydrophobicContact CB-CB 3.93Å; D80-A83 PolarHBondContact O-N 3.24Å; D80-V98 WeakPolarHBondContact O-CG1 3.12Å; D80-A101 PolarHBondContact N-O 3.42Å; D80-A104 HydrophobicContact CB-CB 3.77Å; D80-A104 WeakPolarHBondContact O-CB 3.41Å
81D96.7Very high95.7Very high104 Ų10459.8 Ų59.856%0.55630%0.304SS*.THydrogen-bonded Turntrans-73.2-6.6179.169.3-36.1000114.2R68 A101R68-D81 IonicContact CZ-OD1 2.75Å; R68-D81 IonicContact NH2-OD1 3.77Å; R68-D81 PolarHBondContact NH2-OD1 3Å; D81-A101 HydrophobicContact CB-CB 3.93Å
82R96.1Very high95.5Very high161 Ų16165.9 Ų65.961%0.60833%0.331SS*.THydrogen-bonded Turntrans-111.34.9176.7-61.2-169.3-177.8-175.1-0.4113.4D80D80-R82 PolarHBondContact O-N 2.97Å; D80-R82 PolarHBondContact OD1-N 3.4Å; D80-R82 VanDerWaalsContact OD1-N 3.12Å
83A97.7Very high95.6Very high2 Ų263.4 Ų63.42%0.01732%0.318CS..  trans-68.3144.8175.300000110.9Y66 D80 V98 A104 Y137Y66-A83 VanDerWaalsContact O-CA 3.32Å; Y66-A83 WeakPolarHBondContact O-CA 3.46Å; Y66-A83 WeakPolarHBondContact O-CB 3.36Å; D80-A83 HydrophobicContact CB-CB 3.93Å; D80-A83 PolarHBondContact O-N 3.24Å; A83-V98 HydrophobicContact CB-CB 4.44Å; A83-V98 HydrophobicContact CB-CG1 4.49Å; A83-V98 WeakPolarHBondContact O-CB 3.31Å; A83-V98 WeakPolarHBondContact O-CG1 3.33Å; A83-V98 PolarHBondContact O-N 2.54Å; A83-A104 HydrophobicContact CB-CB 3.95Å; A83-Y137 WeakPolarHBondContact CB-OH 3.33Å
84F98.1Very high95.7Very high18 Ų1859.9 Ų59.98%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-150.4149.7175.262.9-93.4000110.5L20 G65 Y66 F86 K95 Y96L20-F84 HydrophobicContact CD2-CE1 3.73Å; L20-F84 HydrophobicContact CD2-CZ 3.78Å; G65-F84 CarbonylContact C-O 3.49Å; G65-F84 VanDerWaalsContact CA-O 3.31Å; G65-F84 WeakPolarHBondContact CA-O 3.32Å; Y66-F84 AromaticContact CD1-CD1 3.72Å; Y66-F84 HydrophobicContact CD1-CD1 3.72Å; Y66-F84 AromaticContact CD1-CE1 3.34Å; Y66-F84 HydrophobicContact CD1-CE1 3.34Å; Y66-F84 HydrophobicContact CD1-CZ 4.13Å; Y66-F84 HydrophobicContact CE1-CE1 4.2Å; Y66-F84 HydrophobicContact CG-CD1 4.28Å; Y66-F84 AromaticContact CG-CE1 3.68Å; Y66-F84 HydrophobicContact CG-CE1 3.68Å; Y66-F84 AromaticContact CG-CZ 3.98Å; Y66-F84 HydrophobicContact CG-CZ 3.98Å; Y66-F84 PolarHBondContact N-O 2.89Å; Y66-F84 PolarHBondContact O-N 3.2Å; F84-F86 HydrophobicContact CD2-CB 4.33Å; F84-F86 HydrophobicContact CD2-CD1 4.37Å; F84-F86 HydrophobicContact CE2-CB 4.32Å; F84-F86 HydrophobicContact CE2-CD1 4Å; F84-K95 HydrophobicContact CD2-CB 4.44Å; F84-K95 HydrophobicContact CD2-CD 4.24Å; F84-K95 HydrophobicContact CD2-CG 3.95Å; F84-K95 HydrophobicContact CE2-CD 4.3Å; F84-K95 HydrophobicContact CE2-CG 4.13Å; F84-K95 HydrophobicContact CG-CD 4.46Å; F84-Y96 WeakPolarHBondContact CA-O 3.16Å
85L98.4Very high95.7Very high0 Ų060.2 Ų60.20%030%0.295CS..EExtended strand (participates in β ladder)trans-90.5159.2163.4-61.1-176.9000110G64 K95 Y96 F115 L119 Y137 F139 M144G64-L85 CarbonylContact O-C 3.44Å; G64-L85 VanDerWaalsContact O-CA 3.24Å; G64-L85 WeakPolarHBondContact O-CA 3.17Å; G64-L85 WeakPolarHBondContact O-CD2 3.2Å; L85-K95 CarbonylContact O-C 3.56Å; L85-Y96 HydrophobicContact CB-CD2 4.44Å; L85-Y96 PolarHBondContact N-O 3.09Å; L85-Y96 PolarHBondContact O-N 3.02Å; L85-F115 HydrophobicContact CD2-CB 3.64Å; L85-F115 HydrophobicContact CD2-CD1 4.17Å; L85-F115 HydrophobicContact CD2-CD2 4.12Å; L85-F115 HydrophobicContact CD2-CG 3.71Å; L85-L119 HydrophobicContact CD1-CB 3.81Å; L85-L119 HydrophobicContact CD1-CD2 4.32Å; L85-L119 HydrophobicContact CD2-CB 4.18Å; L85-L119 HydrophobicContact CD2-CD2 3.86Å; L85-Y137 HydrophobicContact CB-CD1 4.4Å; L85-Y137 HydrophobicContact CD1-CD1 4.17Å; L85-Y137 HydrophobicContact CD1-CD2 4.23Å; L85-Y137 HydrophobicContact CD1-CG 3.74Å; L85-Y137 HydrophobicContact CG-CD1 3.7Å; L85-Y137 HydrophobicContact CG-CD2 4.36Å; L85-Y137 HydrophobicContact CG-CE1 4.15Å; L85-Y137 HydrophobicContact CG-CG 3.79Å; L85-F139 HydrophobicContact CD1-CD1 3.85Å; L85-F139 HydrophobicContact CD1-CE1 3.81Å; L85-M144 HydrophobicContact CB-CE 3.94Å; L85-M144 HydrophobicContact CD1-CE 4.43Å
86F98.4Very high95.8Very high1 Ų159.9 Ų59.90%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-148.5158.4175.568.5-90000113.2I16 V52 V54 F63 G64 F84 F88 L93 I94 M144I16-F86 HydrophobicContact CD1-CE2 4.18Å; I16-F86 HydrophobicContact CD1-CZ 4.12Å; V52-F86 HydrophobicContact CG1-CE1 3.99Å; V52-F86 HydrophobicContact CG1-CZ 4.05Å; V54-F86 HydrophobicContact CG2-CZ 4.21Å; F63-F86 CarbonylContact C-O 3.55Å; F63-F86 WeakPolarHBondContact CA-O 3.43Å; F63-F86 WeakPolarHBondContact CB-O 3.33Å; G64-F86 PolarHBondContact N-O 3.39Å; G64-F86 PolarHBondContact O-N 2.85Å; F84-F86 HydrophobicContact CD2-CB 4.33Å; F84-F86 HydrophobicContact CD2-CD1 4.37Å; F84-F86 HydrophobicContact CE2-CB 4.32Å; F84-F86 HydrophobicContact CE2-CD1 4Å; F86-F88 HydrophobicContact CD2-CD2 4.37Å; F86-F88 HydrophobicContact CD2-CE2 4.12Å; F86-F88 HydrophobicContact CE2-CD2 4.27Å; F86-F88 AromaticContact CE2-CE2 3.81Å; F86-F88 HydrophobicContact CE2-CE2 3.81Å; F86-L93 HydrophobicContact CB-CD1 4.25Å; F86-L93 HydrophobicContact CB-CD2 3.62Å; F86-L93 HydrophobicContact CB-CG 3.86Å; F86-L93 HydrophobicContact CD2-CD1 3.96Å; F86-L93 HydrophobicContact CD2-CG 4.11Å; F86-L93 HydrophobicContact CG-CD1 4.06Å; F86-L93 HydrophobicContact CG-CD2 4.33Å; F86-L93 HydrophobicContact CG-CG 4.16Å; F86-I94 WeakPolarHBondContact CA-O 3.43Å; F86-I94 WeakPolarHBondContact CB-O 3.47Å; F86-M144 WeakPolarHBondContact O-CE 3.15Å; F86-M144 VanDerWaalsContact O-SD 3.41Å
87T98.4Very high95.9Very high1 Ų158 Ų581%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-137162.5165.7-170.40000110I62 I94 Y96 Q143 M144I62-T87 PolarHBondContact O-OG1 3.45Å; T87-I94 HydrophobicContact CG2-CB 4.08Å; T87-I94 PolarHBondContact N-O 3.23Å; T87-I94 VanDerWaalsContact N-O 3.08Å; T87-I94 PolarHBondContact O-N 3.24Å; T87-Y96 HydrophobicContact CG2-CE2 4Å; T87-Q143 HydrophobicContact CG2-CG 4.32Å; T87-Q143 PolarHBondContact OG1-O 3.42Å; T87-M144 WeakPolarHBondContact CB-O 3.48Å; T87-M144 HydrophobicContact CG2-SD 4.44Å; T87-M144 PolarHBondContact OG1-O 3.14Å
88F97.4Very high95.8Very high18 Ų1855.2 Ų55.28%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-103.7127.8173.9-77.4-78.4000112.1H12 E15 I16 I62 F86 K92 L93H12-F88 HydrophobicContact CB-CE1 4.26Å; H12-F88 HydrophobicContact CB-CE2 4.09Å; H12-F88 HydrophobicContact CB-CZ 3.78Å; H12-F88 AromaticContact CD2-CD1 3.47Å; H12-F88 VanDerWaalsContact CD2-CD1 3.47Å; H12-F88 WeakPolarHBondContact CD2-CD1 3.31Å; H12-F88 AromaticContact CD2-CE1 3.52Å; H12-F88 AromaticContact CD2-CG 3.71Å; H12-F88 AromaticContact CD2-CZ 3.8Å; E15-F88 HydrophobicContact CB-CE1 4.02Å; E15-F88 HydrophobicContact CG-CE1 3.93Å; I16-F88 HydrophobicContact CD1-CE2 4.03Å; I16-F88 HydrophobicContact CD1-CZ 3.96Å; I16-F88 HydrophobicContact CG1-CE2 4.36Å; I16-F88 HydrophobicContact CG1-CZ 3.9Å; I62-F88 HydrophobicContact CB-CD2 3.98Å; I62-F88 HydrophobicContact CG2-CD2 3.8Å; I62-F88 HydrophobicContact CG2-CE2 4.18Å; I62-F88 PolarHBondContact O-N 3.09Å; F86-F88 HydrophobicContact CD2-CD2 4.37Å; F86-F88 HydrophobicContact CD2-CE2 4.12Å; F86-F88 HydrophobicContact CE2-CD2 4.27Å; F86-F88 AromaticContact CE2-CE2 3.81Å; F86-F88 HydrophobicContact CE2-CE2 3.81Å; F88-K92 WeakPolarHBondContact CA-O 3.33Å; F88-L93 HydrophobicContact CD1-CB 4.21Å; F88-L93 HydrophobicContact CE1-CB 3.78Å; F88-L93 HydrophobicContact CE1-CD1 4.28Å; F88-L93 HydrophobicContact CE1-CG 4.33Å; F88-L93 HydrophobicContact CZ-CB 4.32Å; F88-L93 HydrophobicContact CZ-CD1 3.97Å; F88-L93 HydrophobicContact CZ-CG 4.42Å
89E92.4Very high95.7Very high122 Ų12258 Ų5857%0.5730%0.298SS*.EExtended strand (participates in β ladder)trans-107.297.8165.4-167.5171.5-114.500108R91 K92 I94E89-R91 PolarHBondContact O-N 3.29Å; E89-R91 VanDerWaalsContact O-N 3.1Å; E89-K92 PolarHBondContact N-O 3Å; E89-K92 PolarHBondContact O-N 3.25Å; E89-K92 VanDerWaalsContact O-N 3.15Å; E89-I94 HydrophobicContact CB-CG1 4.32Å
90G88.6Confident95.6Very high62 Ų6256.9 Ų56.964%0.63929%0.292SS*.THydrogen-bonded Turntrans63.8-108.7-167.600000111.9H12H12-G90 PolarHBondContact NE2-O 2.8Å
91R86.3Confident95.5Very high185 Ų18558 Ų5870%0.69830%0.301SS*.THydrogen-bonded Turntrans-103.5-8.1178.3-63.8-175.2-175.8179.71.6113.6E89E89-R91 PolarHBondContact O-N 3.29Å; E89-R91 VanDerWaalsContact O-N 3.1Å
92K91.2Very high95.5Very high133 Ų13355.1 Ų55.158%0.57829%0.292SS*.EExtended strand (participates in β ladder)trans-91.9133.1-175.2-175.8-179.3176.2-174.30110.1F88 E89 I94F88-K92 WeakPolarHBondContact CA-O 3.33Å; E89-K92 PolarHBondContact N-O 3Å; E89-K92 PolarHBondContact O-N 3.25Å; E89-K92 VanDerWaalsContact O-N 3.15Å; K92-I94 HydrophobicContact CD-CD1 4.03Å; K92-I94 HydrophobicContact CG-CD1 4.16Å
93L96.4Very high95.6Very high9 Ų951.6 Ų51.65%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-86.2123.9173.2-171.9155.6000109.9E15 I16 Q19 F86 F88 K95E15-L93 HydrophobicContact CG-CB 3.57Å; I16-L93 HydrophobicContact CB-CD1 4.41Å; I16-L93 HydrophobicContact CG1-CD1 3.53Å; Q19-L93 HydrophobicContact CG-CD1 4.34Å; Q19-L93 HydrophobicContact CG-CD2 4.24Å; F86-L93 HydrophobicContact CB-CD1 4.25Å; F86-L93 HydrophobicContact CB-CD2 3.62Å; F86-L93 HydrophobicContact CB-CG 3.86Å; F86-L93 HydrophobicContact CD2-CD1 3.96Å; F86-L93 HydrophobicContact CD2-CG 4.11Å; F86-L93 HydrophobicContact CG-CD1 4.06Å; F86-L93 HydrophobicContact CG-CD2 4.33Å; F86-L93 HydrophobicContact CG-CG 4.16Å; F88-L93 HydrophobicContact CD1-CB 4.21Å; F88-L93 HydrophobicContact CE1-CB 3.78Å; F88-L93 HydrophobicContact CE1-CD1 4.28Å; F88-L93 HydrophobicContact CE1-CG 4.33Å; F88-L93 HydrophobicContact CZ-CB 4.32Å; F88-L93 HydrophobicContact CZ-CD1 3.97Å; F88-L93 HydrophobicContact CZ-CG 4.42Å; L93-K95 HydrophobicContact CD2-CB 4.41Å; L93-K95 HydrophobicContact CD2-CD 4.34Å; L93-K95 HydrophobicContact CD2-CG 3.32Å
94I97.3Very high95.5Very high31 Ų3151.5 Ų51.516%0.15928%0.278CS..EExtended strand (participates in β ladder)trans-99.6121.1173.5-53-57.2000107.9F86 T87 E89 K92 Y96F86-I94 WeakPolarHBondContact CA-O 3.43Å; F86-I94 WeakPolarHBondContact CB-O 3.47Å; T87-I94 HydrophobicContact CG2-CB 4.08Å; T87-I94 PolarHBondContact N-O 3.23Å; T87-I94 VanDerWaalsContact N-O 3.08Å; T87-I94 PolarHBondContact O-N 3.24Å; E89-I94 HydrophobicContact CB-CG1 4.32Å; K92-I94 HydrophobicContact CD-CD1 4.03Å; K92-I94 HydrophobicContact CG-CD1 4.16Å; I94-Y96 HydrophobicContact CG2-CE1 4.36Å; I94-Y96 HydrophobicContact CG2-CE2 4.34Å
95K97.1Very high95.5Very high73 Ų7350.7 Ų50.732%0.31728%0.275SS..EExtended strand (participates in β ladder)trans-96.5141.4-179-69.7-176.2168.7167.70111.7Q19 F84 L85 L93Q19-K95 VanDerWaalsContact CB-CE 3.48Å; Q19-K95 PolarHBondContact O-NZ 3.4Å; Q19-K95 VanDerWaalsContact O-NZ 3.08Å; F84-K95 HydrophobicContact CD2-CB 4.44Å; F84-K95 HydrophobicContact CD2-CD 4.24Å; F84-K95 HydrophobicContact CD2-CG 3.95Å; F84-K95 HydrophobicContact CE2-CD 4.3Å; F84-K95 HydrophobicContact CE2-CG 4.13Å; F84-K95 HydrophobicContact CG-CD 4.46Å; L85-K95 CarbonylContact O-C 3.56Å; L93-K95 HydrophobicContact CD2-CB 4.41Å; L93-K95 HydrophobicContact CD2-CD 4.34Å; L93-K95 HydrophobicContact CD2-CG 3.32Å
96Y96.7Very high95.4Very high23 Ų2353.8 Ų53.89%0.0929%0.286CS..EExtended strand (participates in β ladder)trans-120.895.3167.2-52.4-79.5000108.3F84 L85 T87 I94 P138 F139 Q143 M144F84-Y96 WeakPolarHBondContact CA-O 3.16Å; L85-Y96 HydrophobicContact CB-CD2 4.44Å; L85-Y96 PolarHBondContact N-O 3.09Å; L85-Y96 PolarHBondContact O-N 3.02Å; T87-Y96 HydrophobicContact CG2-CE2 4Å; I94-Y96 HydrophobicContact CG2-CE1 4.36Å; I94-Y96 HydrophobicContact CG2-CE2 4.34Å; Y96-P138 WeakPolarHBondContact CD1-O 3.37Å; Y96-F139 HydrophobicContact CD1-CB 3.51Å; Y96-F139 HydrophobicContact CD2-CB 3.76Å; Y96-F139 HydrophobicContact CE1-CB 3.73Å; Y96-F139 HydrophobicContact CE2-CB 3.95Å; Y96-F139 HydrophobicContact CG-CB 3.53Å; Y96-Q143 PolarHBondContact OH-OE1 3.27Å; Y96-M144 HydrophobicContact CD2-SD 4.03Å; Y96-M144 HydrophobicContact CE2-SD 3.76Å
97P96.5Very high95.2Very high90 Ų9053.9 Ų53.958%0.58429%0.287SS*.EExtended strand (participates in β ladder)trans-61.1151.9179.2-21.733.4000112.3A99P97-A99 PolarHBondContact O-N 3Å
98V96.2Very high95Very high21 Ų2155.8 Ų55.813%0.12730%0.296CS..  trans-61.3131.6171.568.30000110.8D80 A83 N100 A104 Y137D80-V98 WeakPolarHBondContact O-CG1 3.12Å; A83-V98 HydrophobicContact CB-CB 4.44Å; A83-V98 HydrophobicContact CB-CG1 4.49Å; A83-V98 WeakPolarHBondContact O-CB 3.31Å; A83-V98 WeakPolarHBondContact O-CG1 3.33Å; A83-V98 PolarHBondContact O-N 2.54Å; V98-N100 WeakPolarHBondContact CG2-O 3.38Å; V98-A104 HydrophobicContact CG2-CB 4.03Å; V98-Y137 VanDerWaalsContact CA-CE1 3.44Å; V98-Y137 HydrophobicContact CB-CD1 4.1Å; V98-Y137 HydrophobicContact CB-CE1 3.41Å; V98-Y137 VanDerWaalsContact CB-CE1 3.41Å; V98-Y137 HydrophobicContact CG2-CD1 4.48Å; V98-Y137 HydrophobicContact CG2-CE1 3.85Å; V98-Y137 HydrophobicContact CG2-CE2 4.11Å
99A95.1Very high94.8Very high74 Ų7459.4 Ų59.461%0.61232%0.316SS*.SBendtrans-85.7-30.6175.700000112.2P97 Y136P97-A99 PolarHBondContact O-N 3Å; A99-Y136 WeakPolarHBondContact CB-O 3.5Å; A99-Y136 PolarHBondContact N-O 3.49Å
100N94.6Very high94.9Very high67 Ų6757 Ų5736%0.35831%0.307SS..  trans-131.899.7176.1-169.7-22.6000111.2V98 A102 Y103 Y136V98-N100 WeakPolarHBondContact CG2-O 3.38Å; N100-A102 PolarHBondContact O-N 3.45Å; N100-A102 VanDerWaalsContact O-N 3.16Å; N100-A102 PolarHBondContact OD1-N 2.87Å; N100-Y103 HydrophobicContact CB-CD2 4.46Å; N100-Y103 PolarHBondContact O-N 3.34Å; N100-Y103 VanDerWaalsContact O-N 3.1Å; N100-Y136 HydrophobicContact CB-CD1 4.01Å
101A96.2Very high95.2Very high23 Ų2354.1 Ų54.119%0.1928%0.277CS..G310 helixtrans-57-32.7-175.200000113.4N79 D80 D81 Y103 A104N79-A101 CarbonylContact C-O 3.41Å; N79-A101 WeakPolarHBondContact CA-O 3.46Å; D80-A101 PolarHBondContact N-O 3.42Å; D81-A101 HydrophobicContact CB-CB 3.93Å; A101-Y103 PolarHBondContact O-N 2.86Å; A101-A104 VanDerWaalsContact O-CB 3.31Å; A101-A104 WeakPolarHBondContact O-CB 3.32Å; A101-A104 PolarHBondContact O-N 3.14Å
102A97.2Very high95.6Very high44 Ų4445.4 Ų45.436%0.36425%0.245SC..G310 helixtrans-64.7-19.8-178.500000113.7Y77 N79 N100Y77-A102 WeakPolarHBondContact CB-O 3.32Å; N79-A102 WeakPolarHBondContact ND2-CA 3.39Å; N79-A102 PolarHBondContact ND2-N 2.7Å; N100-A102 PolarHBondContact O-N 3.45Å; N100-A102 VanDerWaalsContact O-N 3.16Å; N100-A102 PolarHBondContact OD1-N 2.87Å
103Y96.4Very high95.9Very high87 Ų8739 Ų3934%0.34122%0.217SC..G310 helixtrans-119.630.8180-58.3-90.9000111Y77 N100 A101 V105 G116 Y136Y77-Y103 AromaticContact CD1-CD1 3.73Å; Y77-Y103 HydrophobicContact CD1-CD1 3.73Å; Y77-Y103 HydrophobicContact CD1-CG 4.38Å; Y77-Y103 AromaticContact CD2-CD1 3.54Å; Y77-Y103 HydrophobicContact CD2-CD1 3.54Å; Y77-Y103 AromaticContact CD2-CE1 3.76Å; Y77-Y103 HydrophobicContact CD2-CE1 3.76Å; Y77-Y103 AromaticContact CE1-CD1 3.84Å; Y77-Y103 HydrophobicContact CE1-CD1 3.84Å; Y77-Y103 AromaticContact CE2-CD1 3.63Å; Y77-Y103 HydrophobicContact CE2-CD1 3.63Å; Y77-Y103 AromaticContact CE2-CE1 3.81Å; Y77-Y103 HydrophobicContact CE2-CE1 3.81Å; Y77-Y103 AromaticContact CG-CD1 3.58Å; Y77-Y103 HydrophobicContact CG-CD1 3.58Å; Y77-Y103 HydrophobicContact CG-CE1 4.24Å; Y77-Y103 HydrophobicContact CG-CG 4.42Å; Y77-Y103 AromaticContact CZ-CD1 3.79Å; N100-Y103 HydrophobicContact CB-CD2 4.46Å; N100-Y103 PolarHBondContact O-N 3.34Å; N100-Y103 VanDerWaalsContact O-N 3.1Å; A101-Y103 PolarHBondContact O-N 2.86Å; Y103-V105 PolarHBondContact O-N 3.17Å; Y103-G116 WeakPolarHBondContact O-CA 3.15Å; Y103-Y136 VanDerWaalsContact CB-CE2 3.42Å; Y103-Y136 HydrophobicContact CD1-CE1 4.48Å; Y103-Y136 HydrophobicContact CD1-CE2 4.1Å; Y103-Y136 AromaticContact CD1-CZ 3.82Å; Y103-Y136 AromaticContact CD2-CE1 3.99Å; Y103-Y136 HydrophobicContact CD2-CE1 3.99Å; Y103-Y136 HydrophobicContact CG-CD1 4.39Å; Y103-Y136 HydrophobicContact CG-CD2 4.42Å; Y103-Y136 AromaticContact CG-CE1 3.86Å; Y103-Y136 HydrophobicContact CG-CE1 3.86Å; Y103-Y136 AromaticContact CG-CE2 3.9Å; Y103-Y136 HydrophobicContact CG-CE2 3.9Å; Y103-Y136 AromaticContact CG-CZ 3.59Å
104A96.9Very high96Very high0 Ų039.2 Ų39.20%022%0.218CC..SBendtrans-65.8-38.1-173.800000113.2A78 D80 A83 V98 A101 F115 G116 Y137A78-A104 PolarHBondContact O-N 2.97Å; D80-A104 HydrophobicContact CB-CB 3.77Å; D80-A104 WeakPolarHBondContact O-CB 3.41Å; A83-A104 HydrophobicContact CB-CB 3.95Å; V98-A104 HydrophobicContact CG2-CB 4.03Å; A101-A104 VanDerWaalsContact O-CB 3.31Å; A101-A104 WeakPolarHBondContact O-CB 3.32Å; A101-A104 PolarHBondContact O-N 3.14Å; A104-F115 CarbonylContact O-C 3.49Å; A104-G116 PolarHBondContact O-N 2.93Å; A104-Y137 WeakPolarHBondContact CA-OH 3.46Å; A104-Y137 WeakPolarHBondContact O-CE2 3.37Å; A104-Y137 PolarHBondContact O-OH 3.16Å
105V97.1Very high95.9Very high0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-140.5143.3-177.2-175.50000108.9T67 F71 Y77 A78 Y103 M107 Y114 F115T67-V105 HydrophobicContact CG2-CG2 3.98Å; T67-V105 WeakPolarHBondContact OG1-CG2 3.41Å; F71-V105 HydrophobicContact CD1-CG1 4.06Å; F71-V105 HydrophobicContact CE1-CG1 3.62Å; Y77-V105 CarbonylContact C-O 3.54Å; Y77-V105 WeakPolarHBondContact CA-O 3.46Å; A78-V105 HydrophobicContact CB-CB 4.46Å; A78-V105 PolarHBondContact N-O 3.27Å; A78-V105 PolarHBondContact O-N 3.42Å; Y103-V105 PolarHBondContact O-N 3.17Å; V105-M107 HydrophobicContact CB-CE 4.18Å; V105-M107 HydrophobicContact CG1-CE 3.71Å; V105-M107 HydrophobicContact CG1-SD 4.24Å; V105-Y114 WeakPolarHBondContact CA-O 3.43Å; V105-Y114 VanDerWaalsContact CG1-O 3.32Å; V105-Y114 WeakPolarHBondContact CG1-O 3.4Å; V105-F115 HydrophobicContact CG2-CD1 4.34Å
106R96Very high95.6Very high66 Ų6634.3 Ų34.325%0.24920%0.195CC..EExtended strand (participates in β ladder)trans-115.1131.8176.1-164.9-176.3-178.1176.87.7110.7Y77 M108 Y114 E117Y77-R106 HydrophobicContact CD1-CB 4.05Å; Y77-R106 HydrophobicContact CD1-CG 4.09Å; Y77-R106 HydrophobicContact CE1-CB 3.99Å; Y77-R106 HydrophobicContact CE1-CG 3.85Å; R106-M108 VanDerWaalsContact C-N 3.33Å; R106-M108 HydrophobicContact CB-CG 4.48Å; R106-M108 HydrophobicContact CG-CG 3.88Å; R106-M108 HydrophobicContact CG-SD 4.31Å; R106-M108 PolarHBondContact NE-SD 3.23Å; R106-M108 VanDerWaalsContact NE-SD 3.44Å; R106-M108 PolarHBondContact O-N 3.1Å; R106-M108 VanDerWaalsContact O-N 3.09Å; R106-Y114 HydrophobicContact CB-CD1 3.68Å; R106-Y114 HydrophobicContact CB-CE1 4.11Å; R106-Y114 HydrophobicContact CB-CG 4.09Å; R106-Y114 PolarHBondContact N-O 2.85Å; R106-Y114 WeakPolarHBondContact O-CB 3.29Å; R106-E117 VanDerWaalsContact CD-OE1 3.26Å; R106-E117 WeakPolarHBondContact CD-OE1 3.4Å; R106-E117 IonicContact CZ-OE1 2.75Å; R106-E117 IonicContact NE-OE1 3.17Å; R106-E117 PolarHBondContact NE-OE1 2.88Å; R106-E117 IonicContact NH1-OE1 3.39Å; R106-E117 PolarHBondContact NH1-OE1 2.86Å; R106-E117 IonicContact NH1-OE2 3.99Å; R106-E117 PolarHBondContact NH1-OE2 2.99Å
107M94.9Very high95.4Very high3 Ų334.7 Ų34.72%0.01520%0.198CC..  trans-91.658.3-171-61.4-56.6171.700112.7Q69 P70 F71 N72 Q73 S74 G75 Q76 A78 V105Q69-M107 HydrophobicContact CB-CE 4.23Å; P70-M107 VanDerWaalsContact O-CE 3.26Å; P70-M107 WeakPolarHBondContact O-CE 3.42Å; F71-M107 HydrophobicContact CD1-SD 4.26Å; N72-M107 PolarHBondContact N-SD 3.16Å; N72-M107 VanDerWaalsContact N-SD 3.36Å; N72-M107 CarbonylContact O-C 3.57Å; N72-M107 WeakPolarHBondContact O-CA 3.45Å; N72-M107 WeakPolarHBondContact O-CB 3.27Å; N72-M107 WeakPolarHBondContact OD1-CB 3.43Å; N72-M107 WeakPolarHBondContact OD1-CG 3.14Å; Q73-M107 CarbonylContact C-O 3.56Å; S74-M107 PolarHBondContact N-O 2.86Å; S74-M107 WeakPolarHBondContact OG-CB 3.28Å; G75-M107 VanDerWaalsContact CA-O 3.24Å; G75-M107 WeakPolarHBondContact CA-O 3.41Å; G75-M107 PolarHBondContact N-O 3.16Å; Q76-M107 WeakPolarHBondContact O-CB 3.5Å; Q76-M107 WeakPolarHBondContact O-CG 3.42Å; Q76-M107 PolarHBondContact O-N 3.15Å; A78-M107 HydrophobicContact CB-CE 3.42Å; A78-M107 VanDerWaalsContact CB-CE 3.42Å; V105-M107 HydrophobicContact CB-CE 4.18Å; V105-M107 HydrophobicContact CG1-CE 3.71Å; V105-M107 HydrophobicContact CG1-SD 4.24Å
108M95.3Very high95.4Very high41 Ų4130.4 Ų30.420%0.20217%0.17CC..  trans-80.1130.1-175.3-70.1-62.9-67.400112.2H42 R106 N110 C111 Y114H42-M108 PolarHBondContact CE1-O 2.98Å; H42-M108 VanDerWaalsContact CE1-O 3.24Å; H42-M108 PolarHBondContact NE2-O 3.11Å; R106-M108 VanDerWaalsContact C-N 3.33Å; R106-M108 HydrophobicContact CB-CG 4.48Å; R106-M108 HydrophobicContact CG-CG 3.88Å; R106-M108 HydrophobicContact CG-SD 4.31Å; R106-M108 PolarHBondContact NE-SD 3.23Å; R106-M108 VanDerWaalsContact NE-SD 3.44Å; R106-M108 PolarHBondContact O-N 3.1Å; R106-M108 VanDerWaalsContact O-N 3.09Å; M108-N110 VanDerWaalsContact C-N 3.34Å; M108-N110 WeakPolarHBondContact CE-OD1 3.48Å; M108-N110 PolarHBondContact O-N 3.05Å; M108-C111 HydrophobicContact CB-CB 4.26Å; M108-Y114 HydrophobicContact CB-CD2 3.82Å; M108-Y114 HydrophobicContact CB-CE2 4.26Å; M108-Y114 HydrophobicContact CG-CD2 3.6Å; M108-Y114 HydrophobicContact CG-CE2 3.66Å; M108-Y114 HydrophobicContact CG-CG 4.33Å
109N93.5Very high95.4Very high94 Ų9429.4 Ų29.450%0.50316%0.164SC..THydrogen-bonded Turntrans-77.3-13.8-17868.50.4000115.4H42 Q73H42-N109 WeakPolarHBondContact NE2-CA 3.41Å; Q73-N109 HydrophobicContact CB-CB 3.9Å; Q73-N109 HydrophobicContact CG-CB 4.03Å
110N94.1Very high95.5Very high70 Ų7025.9 Ų25.937%0.37414%0.135SC..THydrogen-bonded Turntrans-109.69.9-173.269.3-11.2000112.6M108 T124 G125M108-N110 VanDerWaalsContact C-N 3.34Å; M108-N110 WeakPolarHBondContact CE-OD1 3.48Å; M108-N110 PolarHBondContact O-N 3.05Å; N110-T124 CarbonylContact O-C 3.51Å; N110-T124 WeakPolarHBondContact O-CA 3.46Å; N110-G125 PolarHBondContact O-N 3.04Å
111C93.4Very high95.7Very high2 Ų222.7 Ų22.71%0.01412%0.118CC..SBendtrans-131.1166.3-177.5-67.40000111.3H42 M108 Y114 V120H42-C111 PolarHBondContact NE2-O 2.83Å; M108-C111 HydrophobicContact CB-CB 4.26Å; C111-Y114 HydrophobicContact CB-CD2 3.88Å; C111-V120 HydrophobicContact CB-CG1 3.74Å
112G96.1Very high95.6Very high2 Ų221.6 Ų21.62%0.02111%0.109CC..SBendtrans-77.2-151.8162.100000112.3F41 Y114 L121 V122F41-G112 VanDerWaalsContact CD1-CA 3.5Å; G112-Y114 PolarHBondContact O-N 2.88Å; G112-L121 CarbonylContact C-O 3.3Å; G112-L121 WeakPolarHBondContact CA-O 3.44Å; G112-L121 PolarHBondContact N-O 2.99Å; G112-V122 PolarHBondContact N-O 3.31Å
113P97.4Very high95.5Very high0 Ų021.7 Ų21.70%010%0.101CC..SBendtrans-52121.8176.5-25.733.2000112.6F41 S53 F71 F115 V120 L121 V156F41-P113 HydrophobicContact CD2-CG 4.13Å; F41-P113 HydrophobicContact CE2-CG 3.52Å; F41-P113 HydrophobicContact CZ-CB 4.44Å; F41-P113 HydrophobicContact CZ-CG 3.84Å; S53-P113 VanDerWaalsContact OG-CB 3.31Å; S53-P113 WeakPolarHBondContact OG-CB 3.41Å; S53-P113 VanDerWaalsContact OG-CG 3.26Å; S53-P113 WeakPolarHBondContact OG-CG 3.23Å; F71-P113 HydrophobicContact CE1-CB 4.4Å; F71-P113 HydrophobicContact CZ-CB 3.89Å; P113-F115 HydrophobicContact CB-CD2 4.42Å; P113-F115 HydrophobicContact CB-CE2 3.7Å; P113-F115 HydrophobicContact CB-CZ 4.44Å; P113-V120 WeakPolarHBondContact O-CA 2.99Å; P113-L121 HydrophobicContact CB-CB 4.46Å; P113-L121 HydrophobicContact CG-CB 4.44Å; P113-L121 PolarHBondContact O-N 2.62Å; P113-V156 HydrophobicContact CG-CG2 3.68Å
114Y97.2Very high95.3Very high13 Ų1320.6 Ų20.65%0.05110%0.104CC..EExtended strand (participates in β ladder)trans-124100.4-172.4-159.6-47.1000110.4V105 R106 M108 C111 G112 G116 E117 V120V105-Y114 WeakPolarHBondContact CA-O 3.43Å; V105-Y114 VanDerWaalsContact CG1-O 3.32Å; V105-Y114 WeakPolarHBondContact CG1-O 3.4Å; R106-Y114 HydrophobicContact CB-CD1 3.68Å; R106-Y114 HydrophobicContact CB-CE1 4.11Å; R106-Y114 HydrophobicContact CB-CG 4.09Å; R106-Y114 PolarHBondContact N-O 2.85Å; R106-Y114 WeakPolarHBondContact O-CB 3.29Å; M108-Y114 HydrophobicContact CB-CD2 3.82Å; M108-Y114 HydrophobicContact CB-CE2 4.26Å; M108-Y114 HydrophobicContact CG-CD2 3.6Å; M108-Y114 HydrophobicContact CG-CE2 3.66Å; M108-Y114 HydrophobicContact CG-CG 4.33Å; C111-Y114 HydrophobicContact CB-CD2 3.88Å; G112-Y114 PolarHBondContact O-N 2.88Å; Y114-G116 WeakPolarHBondContact CD1-O 3.48Å; Y114-G116 WeakPolarHBondContact CE1-O 3.36Å; Y114-E117 PolarHBondContact OH-OE2 3.07Å; Y114-E117 VanDerWaalsContact OH-OE2 3.08Å; Y114-V120 HydrophobicContact CD1-CG2 3.61Å; Y114-V120 HydrophobicContact CD2-CB 4.27Å; Y114-V120 HydrophobicContact CD2-CG1 3.75Å; Y114-V120 HydrophobicContact CD2-CG2 3.46Å; Y114-V120 VanDerWaalsContact CD2-CG2 3.46Å; Y114-V120 HydrophobicContact CE1-CG2 3.55Å; Y114-V120 HydrophobicContact CE2-CG1 4.29Å; Y114-V120 HydrophobicContact CE2-CG2 3.43Å; Y114-V120 VanDerWaalsContact CE2-CG2 3.43Å; Y114-V120 HydrophobicContact CG-CB 4.41Å; Y114-V120 HydrophobicContact CG-CG1 4.1Å; Y114-V120 HydrophobicContact CG-CG2 3.55Å; Y114-V120 VanDerWaalsContact CZ-CG2 3.47Å
115F97.2Very high94.8Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-95.9107.8-177.5-64.9-88.2000110.5G65 T67 F71 L85 A104 V105 P113 E117 S118 L119 Y137G65-F115 VanDerWaalsContact C-CZ 3.42Å; G65-F115 WeakPolarHBondContact O-CZ 3.35Å; T67-F115 HydrophobicContact CG2-CE1 4.02Å; F71-F115 HydrophobicContact CZ-CZ 4.26Å; L85-F115 HydrophobicContact CD2-CB 3.64Å; L85-F115 HydrophobicContact CD2-CD1 4.17Å; L85-F115 HydrophobicContact CD2-CD2 4.12Å; L85-F115 HydrophobicContact CD2-CG 3.71Å; A104-F115 CarbonylContact O-C 3.49Å; V105-F115 HydrophobicContact CG2-CD1 4.34Å; P113-F115 HydrophobicContact CB-CD2 4.42Å; P113-F115 HydrophobicContact CB-CE2 3.7Å; P113-F115 HydrophobicContact CB-CZ 4.44Å; F115-E117 PolarHBondContact O-N 2.68Å; F115-S118 PolarHBondContact O-N 2.85Å; F115-S118 VanDerWaalsContact O-N 3.11Å; F115-L119 PolarHBondContact N-O 3.17Å; F115-L119 PolarHBondContact O-N 2.86Å; F115-L119 VanDerWaalsContact O-N 3.17Å; F115-Y137 HydrophobicContact CB-CE2 4.19Å
116G90.6Very high94.6Very high0 Ų027.5 Ų27.50%014%0.141CC..THydrogen-bonded Turntrans54.2-124.9-175.800000112.6Y103 A104 Y114Y103-G116 WeakPolarHBondContact O-CA 3.15Å; A104-G116 PolarHBondContact O-N 2.93Å; Y114-G116 WeakPolarHBondContact CD1-O 3.48Å; Y114-G116 WeakPolarHBondContact CE1-O 3.36Å
117E92.7Very high94.5Very high32 Ų3227.1 Ų27.115%0.1515%0.147CC..THydrogen-bonded Turntrans-123.932.9170.6-67.4-71.8169.100108.4Y77 R106 Y114 F115 N132 S135 Y136Y77-E117 HydrophobicContact CE1-CG 4.27Å; Y77-E117 PolarHBondContact OH-OE1 2.91Å; R106-E117 VanDerWaalsContact CD-OE1 3.26Å; R106-E117 WeakPolarHBondContact CD-OE1 3.4Å; R106-E117 IonicContact CZ-OE1 2.75Å; R106-E117 IonicContact NE-OE1 3.17Å; R106-E117 PolarHBondContact NE-OE1 2.88Å; R106-E117 IonicContact NH1-OE1 3.39Å; R106-E117 PolarHBondContact NH1-OE1 2.86Å; R106-E117 IonicContact NH1-OE2 3.99Å; R106-E117 PolarHBondContact NH1-OE2 2.99Å; Y114-E117 PolarHBondContact OH-OE2 3.07Å; Y114-E117 VanDerWaalsContact OH-OE2 3.08Å; F115-E117 PolarHBondContact O-N 2.68Å; E117-N132 WeakPolarHBondContact O-CB 3.49Å; E117-S135 PolarHBondContact O-OG 3.45Å; E117-Y136 HydrophobicContact CB-CD2 4.09Å; E117-Y136 HydrophobicContact CB-CE2 3.86Å; E117-Y136 HydrophobicContact CG-CD2 4.2Å; E117-Y136 HydrophobicContact CG-CE2 3.57Å
118S95.2Very high94.5Very high0 Ų029.9 Ų29.90%016%0.161CC..THydrogen-bonded Turntrans-123.4-39.4-164.6-780000113.2F115 S131 N132 S135 Y136 Y137F115-S118 PolarHBondContact O-N 2.85Å; F115-S118 VanDerWaalsContact O-N 3.11Å; S118-S131 CarbonylContact O-C 3.48Å; S118-S131 WeakPolarHBondContact O-CA 3.45Å; S118-N132 VanDerWaalsContact CA-O 3.27Å; S118-N132 WeakPolarHBondContact CA-O 3.33Å; S118-N132 WeakPolarHBondContact CB-O 3.36Å; S118-N132 PolarHBondContact O-N 3.27Å; S118-N132 PolarHBondContact OG-O 3.4Å; S118-N132 VanDerWaalsContact OG-O 3.09Å; S118-S135 WeakPolarHBondContact OG-CB 3.29Å; S118-Y136 PolarHBondContact OG-N 3Å; S118-Y137 PolarHBondContact OG-N 3.43Å
119L97.3Very high94.6Very high0 Ų028.1 Ų28.10%015%0.153CC..EExtended strand (participates in β ladder)trans-144.9126.7178.2-171.477.6000110.5F63 L85 F115 L121 V129 Y130 M144F63-L119 HydrophobicContact CD2-CD1 4.43Å; F63-L119 HydrophobicContact CD2-CD2 4.38Å; F63-L119 HydrophobicContact CE2-CD1 4.31Å; L85-L119 HydrophobicContact CD1-CB 3.81Å; L85-L119 HydrophobicContact CD1-CD2 4.32Å; L85-L119 HydrophobicContact CD2-CB 4.18Å; L85-L119 HydrophobicContact CD2-CD2 3.86Å; F115-L119 PolarHBondContact N-O 3.17Å; F115-L119 PolarHBondContact O-N 2.86Å; F115-L119 VanDerWaalsContact O-N 3.17Å; L119-L121 HydrophobicContact CD2-CD2 4.41Å; L119-V129 HydrophobicContact CD1-CG1 3.6Å; L119-Y130 WeakPolarHBondContact CA-O 3.46Å; L119-M144 HydrophobicContact CD2-CE 3.69Å
120V97.3Very high94.7Very high0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-124124.1170.4-167.50000109.2C111 P113 Y114 H123 V129 Y130C111-V120 HydrophobicContact CB-CG1 3.74Å; P113-V120 WeakPolarHBondContact O-CA 2.99Å; Y114-V120 HydrophobicContact CD1-CG2 3.61Å; Y114-V120 HydrophobicContact CD2-CB 4.27Å; Y114-V120 HydrophobicContact CD2-CG1 3.75Å; Y114-V120 HydrophobicContact CD2-CG2 3.46Å; Y114-V120 VanDerWaalsContact CD2-CG2 3.46Å; Y114-V120 HydrophobicContact CE1-CG2 3.55Å; Y114-V120 HydrophobicContact CE2-CG1 4.29Å; Y114-V120 HydrophobicContact CE2-CG2 3.43Å; Y114-V120 VanDerWaalsContact CE2-CG2 3.43Å; Y114-V120 HydrophobicContact CG-CB 4.41Å; Y114-V120 HydrophobicContact CG-CG1 4.1Å; Y114-V120 HydrophobicContact CG-CG2 3.55Å; Y114-V120 VanDerWaalsContact CZ-CG2 3.47Å; V120-H123 HydrophobicContact CB-CB 4.25Å; V120-H123 HydrophobicContact CG1-CB 4.17Å; V120-V129 VanDerWaalsContact O-CA 3.32Å; V120-V129 WeakPolarHBondContact O-CA 3.39Å; V120-Y130 HydrophobicContact CG2-CD1 3.91Å; V120-Y130 HydrophobicContact CG2-CG 4.28Å; V120-Y130 PolarHBondContact N-O 3.35Å; V120-Y130 PolarHBondContact O-N 3.48Å
121L97.1Very high94.8Very high0 Ų025.3 Ų25.30%014%0.135CC..SBendtrans-91.1135.3169-57.4-178.9000108.4F63 G112 P113 L119 V129 L151F63-L121 HydrophobicContact CD2-CD2 4.42Å; F63-L121 HydrophobicContact CE2-CD2 3.89Å; G112-L121 CarbonylContact C-O 3.3Å; G112-L121 WeakPolarHBondContact CA-O 3.44Å; G112-L121 PolarHBondContact N-O 2.99Å; P113-L121 HydrophobicContact CB-CB 4.46Å; P113-L121 HydrophobicContact CG-CB 4.44Å; P113-L121 PolarHBondContact O-N 2.62Å; L119-L121 HydrophobicContact CD2-CD2 4.41Å; L121-V129 HydrophobicContact CD2-CG2 4.06Å; L121-L151 HydrophobicContact CD2-CD1 4.47Å
122V95.6Very high94.8Very high0 Ų027.9 Ų27.90%015%0.149CC..SBendtrans60.958.2-176.2-166.40000111.6Y36 G112 T124 K126 I128 L151 C154Y36-V122 HydrophobicContact CD1-CG2 4.41Å; Y36-V122 WeakPolarHBondContact O-CG1 3.31Å; G112-V122 PolarHBondContact N-O 3.31Å; V122-T124 PolarHBondContact O-N 3.35Å; V122-K126 CarbonylContact C-O 3.54Å; V122-K126 VanDerWaalsContact CA-O 3.27Å; V122-K126 WeakPolarHBondContact CA-O 3.38Å; V122-I128 PolarHBondContact N-O 3.24Å; V122-L151 HydrophobicContact CG2-CD2 3.9Å; V122-C154 HydrophobicContact CG2-CB 3.69Å
123H94.5Very high94.1Very high45 Ų4529.5 Ų29.521%0.20816%0.162CC..G310 helixtrans-71.9128.2-175-179.3-120.2000111.5V120 G125 K126 I128V120-H123 HydrophobicContact CB-CB 4.25Å; V120-H123 HydrophobicContact CG1-CB 4.17Å; H123-G125 PolarHBondContact O-N 2.75Å; H123-K126 PolarHBondContact O-N 3.49Å; H123-I128 HydrophobicContact CB-CD1 4.41Å; H123-I128 HydrophobicContact CB-CG1 4.17Å; H123-I128 PolarHBondContact N-O 2.78Å
124T91.3Very high92.9Very high64 Ų6433.8 Ų33.839%0.39320%0.197SC..G310 helixtrans56.530.1-177.763.30000114.5N110 V122 K126N110-T124 CarbonylContact O-C 3.51Å; N110-T124 WeakPolarHBondContact O-CA 3.46Å; V122-T124 PolarHBondContact O-N 3.35Å; T124-K126 VanDerWaalsContact C-N 3.35Å; T124-K126 PolarHBondContact O-N 3.4Å
125G87Confident91.9Very high24 Ų2435.2 Ų35.225%0.24721%0.209CC..G310 helixtrans69.929.6-179.400000114Y36 N110 H123Y36-G125 CarbonylContact O-C 3.47Å; Y36-G125 WeakPolarHBondContact O-CA 3.15Å; N110-G125 PolarHBondContact O-N 3.04Å; H123-G125 PolarHBondContact O-N 2.75Å
126K92.1Very high91.6Very high121 Ų12137.8 Ų37.853%0.52622%0.219SC..SBendtrans-126.6156-179.8-69.7178.3-177.2177.90110.5V122 H123 T124 I128V122-K126 CarbonylContact C-O 3.54Å; V122-K126 VanDerWaalsContact CA-O 3.27Å; V122-K126 WeakPolarHBondContact CA-O 3.38Å; H123-K126 PolarHBondContact O-N 3.49Å; T124-K126 VanDerWaalsContact C-N 3.35Å; T124-K126 PolarHBondContact O-N 3.4Å; K126-I128 HydrophobicContact CB-CD1 4.28Å; K126-I128 HydrophobicContact CB-CG1 3.78Å; K126-I128 PolarHBondContact O-N 3.39Å
127P94.4Very high91.8Very high59 Ų5937.8 Ų37.838%0.38322%0.219SC..SBendtrans-73.953.8176.233.7-38.1000112.1Y36 L151Y36-P127 HydrophobicContact CD1-CB 3.57Å; Y36-P127 HydrophobicContact CD2-CB 4.46Å; Y36-P127 HydrophobicContact CE1-CB 3.62Å; Y36-P127 HydrophobicContact CG-CB 4.02Å; P127-L151 WeakPolarHBondContact O-CB 3.45Å; P127-L151 PolarHBondContact O-N 3.19Å
128I95.3Very high91.8Very high60 Ų6040.1 Ų40.131%0.30824%0.237SC..BIsolated β-bridgetrans-131.9151.1178.654.5164.4000110V122 H123 K126 L149V122-I128 PolarHBondContact N-O 3.24Å; H123-I128 HydrophobicContact CB-CD1 4.41Å; H123-I128 HydrophobicContact CB-CG1 4.17Å; H123-I128 PolarHBondContact N-O 2.78Å; K126-I128 HydrophobicContact CB-CD1 4.28Å; K126-I128 HydrophobicContact CB-CG1 3.78Å; K126-I128 PolarHBondContact O-N 3.39Å; I128-L149 WeakPolarHBondContact CA-O 3.13Å
129V96.9Very high91.8Very high5 Ų540.9 Ų40.93%0.0324%0.24CC..  trans-99.6134.6174.1178.10000109.2F63 L119 V120 L121 L149 L151F63-V129 HydrophobicContact CE2-CG1 4.16Å; F63-V129 HydrophobicContact CE2-CG2 4.03Å; F63-V129 HydrophobicContact CZ-CG2 3.94Å; L119-V129 HydrophobicContact CD1-CG1 3.6Å; V120-V129 VanDerWaalsContact O-CA 3.32Å; V120-V129 WeakPolarHBondContact O-CA 3.39Å; L121-V129 HydrophobicContact CD2-CG2 4.06Å; V129-L149 HydrophobicContact CB-CB 4.29Å; V129-L149 HydrophobicContact CB-CD2 4.07Å; V129-L149 HydrophobicContact CG1-CD2 4.07Å; V129-L149 PolarHBondContact N-O 3.35Å; V129-L151 HydrophobicContact CG2-CB 4.29Å; V129-L151 HydrophobicContact CG2-CD1 3.65Å; V129-L151 HydrophobicContact CG2-CG 4.45Å
130Y96.3Very high91.7Very high75 Ų7545.1 Ų45.129%0.29426%0.263SS..EExtended strand (participates in β ladder)trans-93135.5160.4173.2-88.8000108.5L119 V120 N132L119-Y130 WeakPolarHBondContact CA-O 3.46Å; V120-Y130 HydrophobicContact CG2-CD1 3.91Å; V120-Y130 HydrophobicContact CG2-CG 4.28Å; V120-Y130 PolarHBondContact N-O 3.35Å; V120-Y130 PolarHBondContact O-N 3.48Å; Y130-N132 HydrophobicContact CE1-CB 3.95Å
131S95.6Very high91.6Very high30 Ų3046.3 Ų46.321%0.2127%0.273CS..EExtended strand (participates in β ladder)trans-139.8129.3-177.4-177.60000110.8S118 F139 H145S118-S131 CarbonylContact O-C 3.48Å; S118-S131 WeakPolarHBondContact O-CA 3.45Å; S131-F139 WeakPolarHBondContact OG-CZ 3.42Å; S131-H145 WeakPolarHBondContact CB-NE2 3.3Å; S131-H145 PolarHBondContact OG-NE2 2.9Å
132N93.7Very high91.6Very high56 Ų5648.3 Ų48.330%0.29929%0.289SS..  trans-147.199.4173.7179.46.7000110.2E117 S118 Y130 A134 S135E117-N132 WeakPolarHBondContact O-CB 3.49Å; S118-N132 VanDerWaalsContact CA-O 3.27Å; S118-N132 WeakPolarHBondContact CA-O 3.33Å; S118-N132 WeakPolarHBondContact CB-O 3.36Å; S118-N132 PolarHBondContact O-N 3.27Å; S118-N132 PolarHBondContact OG-O 3.4Å; S118-N132 VanDerWaalsContact OG-O 3.09Å; Y130-N132 HydrophobicContact CE1-CB 3.95Å; N132-A134 PolarHBondContact O-N 2.9Å; N132-A134 VanDerWaalsContact O-N 3.16Å; N132-A134 PolarHBondContact OD1-N 3.03Å; N132-S135 PolarHBondContact ND2-OG 2.74Å
133A81.3Confident91.6Very high36 Ų3651.5 Ų51.530%0.29830%0.304SS..THydrogen-bonded Turntrans-66.5-11-175.100000115.3F139A133-F139 HydrophobicContact CB-CD2 4.29Å; A133-F139 HydrophobicContact CB-CE2 4.15Å; A133-F139 HydrophobicContact CB-CZ 4.28Å; A133-F139 WeakPolarHBondContact CB-O 3.45Å
134A72.8Confident91.7Very high90 Ų9049.3 Ų49.374%0.74429%0.294SS*.THydrogen-bonded Turntrans-100.6-6.8-169.800000115.1N132N132-A134 PolarHBondContact O-N 2.9Å; N132-A134 VanDerWaalsContact O-N 3.16Å; N132-A134 PolarHBondContact OD1-N 3.03Å
135S76.3Confident92Very high43 Ų4346.5 Ų46.530%0.30128%0.276SS..SBendtrans-82.2-95.3-172.9-49.60000112.9E117 S118 N132E117-S135 PolarHBondContact O-OG 3.45Å; S118-S135 WeakPolarHBondContact OG-CB 3.29Å; N132-S135 PolarHBondContact ND2-OG 2.74Å
136Y90.8Very high92.4Very high53 Ų5346.6 Ų46.621%0.20828%0.277CS..SBendtrans-114.6-9.4-169.9-54.3-54.3000113.4Y77 A99 N100 Y103 E117 S118Y77-Y136 HydrophobicContact CE1-CE2 4.46Å; A99-Y136 WeakPolarHBondContact CB-O 3.5Å; A99-Y136 PolarHBondContact N-O 3.49Å; N100-Y136 HydrophobicContact CB-CD1 4.01Å; Y103-Y136 VanDerWaalsContact CB-CE2 3.42Å; Y103-Y136 HydrophobicContact CD1-CE1 4.48Å; Y103-Y136 HydrophobicContact CD1-CE2 4.1Å; Y103-Y136 AromaticContact CD1-CZ 3.82Å; Y103-Y136 AromaticContact CD2-CE1 3.99Å; Y103-Y136 HydrophobicContact CD2-CE1 3.99Å; Y103-Y136 HydrophobicContact CG-CD1 4.39Å; Y103-Y136 HydrophobicContact CG-CD2 4.42Å; Y103-Y136 AromaticContact CG-CE1 3.86Å; Y103-Y136 HydrophobicContact CG-CE1 3.86Å; Y103-Y136 AromaticContact CG-CE2 3.9Å; Y103-Y136 HydrophobicContact CG-CE2 3.9Å; Y103-Y136 AromaticContact CG-CZ 3.59Å; E117-Y136 HydrophobicContact CB-CD2 4.09Å; E117-Y136 HydrophobicContact CB-CE2 3.86Å; E117-Y136 HydrophobicContact CG-CD2 4.2Å; E117-Y136 HydrophobicContact CG-CE2 3.57Å; S118-Y136 PolarHBondContact OG-N 3Å
137Y94.3Very high92.6Very high0 Ų046.1 Ų46.10%028%0.28CS..SBendtrans-129.3104.1173.4-65.4-92.7000108.5A83 L85 V98 A104 F115 S118 F139A83-Y137 WeakPolarHBondContact CB-OH 3.33Å; L85-Y137 HydrophobicContact CB-CD1 4.4Å; L85-Y137 HydrophobicContact CD1-CD1 4.17Å; L85-Y137 HydrophobicContact CD1-CD2 4.23Å; L85-Y137 HydrophobicContact CD1-CG 3.74Å; L85-Y137 HydrophobicContact CG-CD1 3.7Å; L85-Y137 HydrophobicContact CG-CD2 4.36Å; L85-Y137 HydrophobicContact CG-CE1 4.15Å; L85-Y137 HydrophobicContact CG-CG 3.79Å; V98-Y137 VanDerWaalsContact CA-CE1 3.44Å; V98-Y137 HydrophobicContact CB-CD1 4.1Å; V98-Y137 HydrophobicContact CB-CE1 3.41Å; V98-Y137 VanDerWaalsContact CB-CE1 3.41Å; V98-Y137 HydrophobicContact CG2-CD1 4.48Å; V98-Y137 HydrophobicContact CG2-CE1 3.85Å; V98-Y137 HydrophobicContact CG2-CE2 4.11Å; A104-Y137 WeakPolarHBondContact CA-OH 3.46Å; A104-Y137 WeakPolarHBondContact O-CE2 3.37Å; A104-Y137 PolarHBondContact O-OH 3.16Å; F115-Y137 HydrophobicContact CB-CE2 4.19Å; S118-Y137 PolarHBondContact OG-N 3.43Å; Y137-F139 WeakPolarHBondContact O-CD1 3.38Å; Y137-F139 PolarHBondContact O-N 3.47Å
138P93.1Very high92.8Very high81 Ų8144.2 Ų44.253%0.52627%0.267SS..  trans-74.1112.2175.728.7-31.6000109.6Y96Y96-P138 WeakPolarHBondContact CD1-O 3.37Å
139F94.8Very high92.8Very high16 Ų1644.5 Ų44.57%0.0727%0.269CS..  trans-139.716217565-96.8000111.6L85 Y96 S131 A133 Y137 A141 M144L85-F139 HydrophobicContact CD1-CD1 3.85Å; L85-F139 HydrophobicContact CD1-CE1 3.81Å; Y96-F139 HydrophobicContact CD1-CB 3.51Å; Y96-F139 HydrophobicContact CD2-CB 3.76Å; Y96-F139 HydrophobicContact CE1-CB 3.73Å; Y96-F139 HydrophobicContact CE2-CB 3.95Å; Y96-F139 HydrophobicContact CG-CB 3.53Å; S131-F139 WeakPolarHBondContact OG-CZ 3.42Å; A133-F139 HydrophobicContact CB-CD2 4.29Å; A133-F139 HydrophobicContact CB-CE2 4.15Å; A133-F139 HydrophobicContact CB-CZ 4.28Å; A133-F139 WeakPolarHBondContact CB-O 3.45Å; Y137-F139 WeakPolarHBondContact O-CD1 3.38Å; Y137-F139 PolarHBondContact O-N 3.47Å; F139-A141 HydrophobicContact CE2-CB 4.36Å; F139-M144 HydrophobicContact CD2-CB 3.56Å; F139-M144 HydrophobicContact CD2-CG 3.81Å; F139-M144 HydrophobicContact CE2-CB 3.93Å; F139-M144 HydrophobicContact CE2-CG 3.93Å; F139-M144 HydrophobicContact CG-CB 4.43Å; F139-M144 HydrophobicContact CG-CG 4.44Å
140N95.3Very high92.8Very high90 Ų9048.8 Ų48.848%0.48129%0.292SS..  trans-90.7117.5172.1-178.5-54.2000109.4A142 Q143 M144N140-A142 VanDerWaalsContact C-N 3.31Å; N140-A142 PolarHBondContact O-N 3.45Å; N140-A142 WeakPolarHBondContact OD1-CA 3.27Å; N140-A142 WeakPolarHBondContact OD1-CB 3.38Å; N140-A142 PolarHBondContact OD1-N 3.11Å; N140-Q143 HydrophobicContact CB-CB 4.03Å; N140-Q143 PolarHBondContact O-N 3.35Å; N140-Q143 VanDerWaalsContact O-N 3.16Å; N140-Q143 PolarHBondContact OD1-N 3.29Å; N140-Q143 VanDerWaalsContact OD1-N 3.1Å; N140-M144 VanDerWaalsContact O-CB 3.3Å; N140-M144 WeakPolarHBondContact O-CB 3.16Å; N140-M144 PolarHBondContact O-N 2.94Å
141A95.9Very high92.8Very high25 Ų2545.7 Ų45.721%0.20728%0.28CS..Hα-helixtrans-62-34.4-176.200000114F139 H145 G146 N147F139-A141 HydrophobicContact CE2-CB 4.36Å; A141-H145 PolarHBondContact O-CE1 3.09Å; A141-H145 PolarHBondContact O-N 3.26Å; A141-H145 VanDerWaalsContact O-N 3.07Å; A141-H145 PolarHBondContact O-ND1 2.93Å; A141-G146 PolarHBondContact O-N 2.93Å; A141-N147 WeakPolarHBondContact CB-OD1 3.33Å; A141-N147 PolarHBondContact O-N 3.22Å
142A96.4Very high92.9Very high41 Ų4147.6 Ų47.634%0.33929%0.287SS..Hα-helixtrans-67.5-39.8175.800000111.3N140 G146 N147N140-A142 VanDerWaalsContact C-N 3.31Å; N140-A142 PolarHBondContact O-N 3.45Å; N140-A142 WeakPolarHBondContact OD1-CA 3.27Å; N140-A142 WeakPolarHBondContact OD1-CB 3.38Å; N140-A142 PolarHBondContact OD1-N 3.11Å; A142-G146 WeakPolarHBondContact O-CA 3.36Å; A142-G146 PolarHBondContact O-N 3.08Å; A142-N147 PolarHBondContact N-OD1 2.92Å
143Q96.1Very high93Very high67 Ų6744.9 Ų44.931%0.31327%0.273SS..Hα-helixtrans-73.4-40.3175.7-168.9176.935.700112.1Y61 T87 Y96 N140Y61-Q143 WeakPolarHBondContact CE1-O 3.48Å; T87-Q143 HydrophobicContact CG2-CG 4.32Å; T87-Q143 PolarHBondContact OG1-O 3.42Å; Y96-Q143 PolarHBondContact OH-OE1 3.27Å; N140-Q143 HydrophobicContact CB-CB 4.03Å; N140-Q143 PolarHBondContact O-N 3.35Å; N140-Q143 VanDerWaalsContact O-N 3.16Å; N140-Q143 PolarHBondContact OD1-N 3.29Å; N140-Q143 VanDerWaalsContact OD1-N 3.1Å
144M96.4Very high93.8Very high0 Ų043.2 Ų43.20%026%0.259CS..Hα-helixtrans-64.7-50-176-17667.2175.800111.4F63 L85 F86 T87 Y96 L119 F139 N140F63-M144 HydrophobicContact CB-CE 3.85Å; F63-M144 HydrophobicContact CB-CG 4.45Å; F63-M144 WeakPolarHBondContact CB-O 3.49Å; F63-M144 HydrophobicContact CB-SD 4.08Å; F63-M144 HydrophobicContact CD2-CE 4.1Å; F63-M144 HydrophobicContact CG-CE 4.41Å; L85-M144 HydrophobicContact CB-CE 3.94Å; L85-M144 HydrophobicContact CD1-CE 4.43Å; F86-M144 WeakPolarHBondContact O-CE 3.15Å; F86-M144 VanDerWaalsContact O-SD 3.41Å; T87-M144 WeakPolarHBondContact CB-O 3.48Å; T87-M144 HydrophobicContact CG2-SD 4.44Å; T87-M144 PolarHBondContact OG1-O 3.14Å; Y96-M144 HydrophobicContact CD2-SD 4.03Å; Y96-M144 HydrophobicContact CE2-SD 3.76Å; L119-M144 HydrophobicContact CD2-CE 3.69Å; F139-M144 HydrophobicContact CD2-CB 3.56Å; F139-M144 HydrophobicContact CD2-CG 3.81Å; F139-M144 HydrophobicContact CE2-CB 3.93Å; F139-M144 HydrophobicContact CE2-CG 3.93Å; F139-M144 HydrophobicContact CG-CB 4.43Å; F139-M144 HydrophobicContact CG-CG 4.44Å; N140-M144 VanDerWaalsContact O-CB 3.3Å; N140-M144 WeakPolarHBondContact O-CB 3.16Å; N140-M144 PolarHBondContact O-N 2.94Å
145H96.8Very high95Very high4 Ų438.9 Ų38.92%0.01922%0.223CC..Hα-helixtrans-147.220.3-17156.372000113N57 F63 S131 A141 N147 D148N57-H145 PolarHBondContact ND2-O 3.28Å; F63-H145 HydrophobicContact CD1-CB 3.82Å; F63-H145 HydrophobicContact CD2-CB 4.31Å; F63-H145 HydrophobicContact CE1-CB 3.56Å; F63-H145 HydrophobicContact CE2-CB 4.07Å; F63-H145 HydrophobicContact CG-CB 4.19Å; F63-H145 HydrophobicContact CZ-CB 3.68Å; S131-H145 WeakPolarHBondContact CB-NE2 3.3Å; S131-H145 PolarHBondContact OG-NE2 2.9Å; A141-H145 PolarHBondContact O-CE1 3.09Å; A141-H145 PolarHBondContact O-N 3.26Å; A141-H145 VanDerWaalsContact O-N 3.07Å; A141-H145 PolarHBondContact O-ND1 2.93Å; H145-N147 PolarHBondContact ND1-N 2.65Å; H145-N147 PolarHBondContact O-N 3.13Å; H145-N147 VanDerWaalsContact O-N 3.15Å; H145-D148 PolarHBondContact O-N 3.38Å
146G96.7Very high96Very high26 Ų2636.9 Ų36.927%0.26821%0.209SC..THydrogen-bonded Turntrans65.418.6176.700000115A141 A142 D148A141-G146 PolarHBondContact O-N 2.93Å; A142-G146 WeakPolarHBondContact O-CA 3.36Å; A142-G146 PolarHBondContact O-N 3.08Å; G146-D148 PolarHBondContact O-N 3.49Å; G146-D148 VanDerWaalsContact O-N 3.16Å
147N96.2Very high96.3Very high111 Ų11134.4 Ų34.459%0.59420%0.2SC*.THydrogen-bonded Turntrans57.614.1-165.1-56.8-52.9000114.7A141 A142 H145A141-N147 WeakPolarHBondContact CB-OD1 3.33Å; A141-N147 PolarHBondContact O-N 3.22Å; A142-N147 PolarHBondContact N-OD1 2.92Å; H145-N147 PolarHBondContact ND1-N 2.65Å; H145-N147 PolarHBondContact O-N 3.13Å; H145-N147 VanDerWaalsContact O-N 3.15Å
148D97.1Very high96.4Very high19 Ų1935.9 Ų35.910%0.10221%0.206CC..  trans-101.9114.7177.8177.219.2000110.3N57 V58 S59 H145 G146 N150N57-D148 PolarHBondContact ND2-O 3.13Å; V58-D148 PolarHBondContact N-OD2 3.41Å; S59-D148 WeakPolarHBondContact CB-OD2 3.47Å; S59-D148 PolarHBondContact N-OD2 2.97Å; S59-D148 VanDerWaalsContact OG-CB 3.27Å; S59-D148 WeakPolarHBondContact OG-CB 3.43Å; S59-D148 VanDerWaalsContact OG-CG 3.3Å; S59-D148 PolarHBondContact OG-OD2 3.49Å; H145-D148 PolarHBondContact O-N 3.38Å; G146-D148 PolarHBondContact O-N 3.49Å; G146-D148 VanDerWaalsContact O-N 3.16Å; D148-N150 WeakPolarHBondContact OD1-CB 3.36Å; D148-N150 PolarHBondContact OD1-N 3.17Å; D148-N150 PolarHBondContact OD1-ND2 2.85Å
149L96.9Very high96.4Very high66 Ų6632.3 Ų32.335%0.34618%0.183SC..  trans-97.72.7-176.7-58.4-180000112.8I128 V129 L151I128-L149 WeakPolarHBondContact CA-O 3.13Å; V129-L149 HydrophobicContact CB-CB 4.29Å; V129-L149 HydrophobicContact CB-CD2 4.07Å; V129-L149 HydrophobicContact CG1-CD2 4.07Å; V129-L149 PolarHBondContact N-O 3.35Å; L149-L151 PolarHBondContact O-N 3.42Å
150N96.9Very high95.8Very high95 Ų9533.7 Ų33.751%0.50819%0.191SC..BIsolated β-bridgetrans-81.7108.8-179.4-59.7-71000110.4N57 V58 D148N57-N150 WeakPolarHBondContact CA-O 3.31Å; N57-N150 WeakPolarHBondContact CB-O 3.43Å; V58-N150 HydrophobicContact CG2-CB 3.86Å; V58-N150 PolarHBondContact N-O 3.34Å; V58-N150 VanDerWaalsContact N-O 3.15Å; D148-N150 WeakPolarHBondContact OD1-CB 3.36Å; D148-N150 PolarHBondContact OD1-N 3.17Å; D148-N150 PolarHBondContact OD1-ND2 2.85Å
151L96.4Very high94.5Very high10 Ų1032 Ų325%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-84.8130.6-176.2-160.274.3000110.3Y36 Y56 L121 V122 P127 V129 L149 D153 C154Y36-L151 HydrophobicContact CE1-CD2 4.48Å; Y56-L151 CarbonylContact O-C 3.54Å; Y56-L151 WeakPolarHBondContact O-CA 3.35Å; Y56-L151 VanDerWaalsContact O-CD1 3.31Å; Y56-L151 WeakPolarHBondContact O-CD1 3.39Å; L121-L151 HydrophobicContact CD2-CD1 4.47Å; V122-L151 HydrophobicContact CG2-CD2 3.9Å; P127-L151 WeakPolarHBondContact O-CB 3.45Å; P127-L151 PolarHBondContact O-N 3.19Å; V129-L151 HydrophobicContact CG2-CB 4.29Å; V129-L151 HydrophobicContact CG2-CD1 3.65Å; V129-L151 HydrophobicContact CG2-CG 4.45Å; L149-L151 PolarHBondContact O-N 3.42Å; L151-D153 WeakPolarHBondContact CD1-O 3.28Å; L151-D153 VanDerWaalsContact CG-O 3.25Å; L151-D153 WeakPolarHBondContact CG-O 3.45Å; L151-C154 HydrophobicContact CD2-CB 3.79Å
152I96.1Very high92.7Very high70 Ų7035.6 Ų35.636%0.35921%0.205SC..EExtended strand (participates in β ladder)trans-99.4-17.917363.6166.1000112.9Y36 Y56 V58Y36-I152 VanDerWaalsContact OH-C 3.31Å; Y36-I152 PolarHBondContact OH-O 2.87Å; Y56-I152 VanDerWaalsContact O-CG1 3.26Å; Y56-I152 WeakPolarHBondContact O-CG1 3.3Å; Y56-I152 PolarHBondContact O-N 3.3Å; V58-I152 HydrophobicContact CB-CG2 4.21Å; V58-I152 HydrophobicContact CG2-CG2 3.42Å; V58-I152 VanDerWaalsContact CG2-CG2 3.42Å
153D96.9Very high90.1Very high0 Ų038.4 Ų38.40%022%0.218CC..EExtended strand (participates in β ladder)trans-167.1160.3172.7-146.3-14.8000111.2K7 K30 A31 T32 Y56 L151K7-D153 HydrophobicContact CD-CB 4.19Å; K7-D153 IonicContact NZ-OD2 3.39Å; K30-D153 IonicContact NZ-OD2 2.64Å; K30-D153 PolarHBondContact NZ-OD2 3.11Å; A31-D153 PolarHBondContact N-OD1 3.29Å; T32-D153 HydrophobicContact CG2-CB 4.17Å; T32-D153 VanDerWaalsContact CG2-CG 3.41Å; T32-D153 WeakPolarHBondContact CG2-OD1 3.31Å; T32-D153 WeakPolarHBondContact CG2-OD2 3.46Å; T32-D153 PolarHBondContact N-OD1 3.47Å; T32-D153 VanDerWaalsContact N-OD1 3.08Å; T32-D153 VanDerWaalsContact OG1-CG 3.29Å; T32-D153 PolarHBondContact OG1-OD1 3.22Å; T32-D153 VanDerWaalsContact OG1-OD1 3.14Å; T32-D153 PolarHBondContact OG1-OD2 3.09Å; Y56-D153 HydrophobicContact CD2-CB 3.87Å; Y56-D153 HydrophobicContact CG-CB 4.39Å; Y56-D153 PolarHBondContact N-O 3.39Å; Y56-D153 PolarHBondContact O-N 3.11Å; L151-D153 WeakPolarHBondContact CD1-O 3.28Å; L151-D153 VanDerWaalsContact CG-O 3.25Å; L151-D153 WeakPolarHBondContact CG-O 3.45Å
154C97.6Very high87.8Confident0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-138.8128.1169.8179.60000109Y29 K30 A31 V54 V122 L151Y29-C154 HydrophobicContact CE1-CB 4.36Å; K30-C154 CarbonylContact C-O 3.46Å; K30-C154 WeakPolarHBondContact CA-O 3.37Å; A31-C154 HydrophobicContact CB-CB 4Å; A31-C154 PolarHBondContact N-O 2.98Å; V54-C154 CarbonylContact O-C 2.93Å; V54-C154 VanDerWaalsContact O-CA 3.3Å; V54-C154 WeakPolarHBondContact O-CA 3.39Å; V122-C154 HydrophobicContact CG2-CB 3.69Å; L151-C154 HydrophobicContact CD2-CB 3.79Å
155E98.2Very high85.3Confident0 Ų045.8 Ų45.80%027%0.267CS..EExtended strand (participates in β ladder)trans-116.4136.8176.3-65.1-175.9146.900109.6S6 K7 L8 L27 Y29 K30 S53 V54 Y56 Y157S6-E155 WeakPolarHBondContact CA-OE1 3.35Å; K7-E155 VanDerWaalsContact N-CD 3.34Å; K7-E155 PolarHBondContact N-OE1 3.26Å; K7-E155 PolarHBondContact N-OE2 2.81Å; L8-E155 PolarHBondContact N-OE2 2.83Å; L27-E155 HydrophobicContact CD1-CB 3.9Å; L27-E155 HydrophobicContact CD1-CG 4.22Å; Y29-E155 CarbonylContact O-C 3.49Å; Y29-E155 VanDerWaalsContact O-CA 3.24Å; Y29-E155 WeakPolarHBondContact O-CA 3.44Å; K30-E155 HydrophobicContact CB-CG 4.4Å; K30-E155 WeakPolarHBondContact CD-OE1 3.33Å; K30-E155 HydrophobicContact CG-CG 4.14Å; K30-E155 IonicContact NZ-OE1 3.64Å; K30-E155 PolarHBondContact NZ-OE1 3.08Å; S53-E155 CarbonylContact C-O 3.59Å; S53-E155 WeakPolarHBondContact CA-O 2.99Å; V54-E155 PolarHBondContact N-O 3.13Å; V54-E155 PolarHBondContact O-N 3.15Å; Y56-E155 HydrophobicContact CE2-CB 4.3Å; Y56-E155 HydrophobicContact CE2-CG 3.99Å; Y56-E155 PolarHBondContact OH-OE2 2.89Å; E155-Y157 HydrophobicContact CB-CD2 4.45Å; E155-Y157 HydrophobicContact CB-CE2 3.57Å; E155-Y157 PolarHBondContact OE2-OH 3.19Å
156V98.3Very high82.8Confident0 Ų053.9 Ų53.90%031%0.305CS..EExtended strand (participates in β ladder)trans-124.5127.6174.4-176.70000108.2L28 Y29 F41 T51 V52 P113L28-V156 WeakPolarHBondContact CB-O 3.39Å; L28-V156 PolarHBondContact N-O 3.44Å; Y29-V156 HydrophobicContact CD1-CB 4.47Å; Y29-V156 HydrophobicContact CD1-CG2 3.95Å; Y29-V156 PolarHBondContact N-O 3.43Å; Y29-V156 PolarHBondContact O-N 2.64Å; F41-V156 HydrophobicContact CD2-CG2 4.2Å; F41-V156 HydrophobicContact CE2-CG2 3.97Å; T51-V156 HydrophobicContact CG2-CG1 4.38Å; V52-V156 WeakPolarHBondContact O-CA 3.45Å; P113-V156 HydrophobicContact CG-CG2 3.68Å
157Y97.3Very high80.8Confident2 Ų257.8 Ų57.81%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-115136.8-177.8-57-97.2000109.9S6 L8 L25 K26 L27 T51 V52 V54 E155S6-Y157 PolarHBondContact OG-OH 3.32Å; L8-Y157 WeakPolarHBondContact CB-OH 3.34Å; L8-Y157 HydrophobicContact CD2-CE2 4.15Å; L25-Y157 HydrophobicContact CB-CD1 3.75Å; L25-Y157 HydrophobicContact CB-CG 4.04Å; L25-Y157 HydrophobicContact CD1-CG 4.49Å; K26-Y157 CarbonylContact O-C 3.44Å; K26-Y157 WeakPolarHBondContact O-CA 3.45Å; L27-Y157 HydrophobicContact CB-CD1 3.94Å; L27-Y157 HydrophobicContact CB-CE1 3.87Å; L27-Y157 HydrophobicContact CD1-CD1 4.06Å; L27-Y157 HydrophobicContact CD1-CE1 3.73Å; L27-Y157 HydrophobicContact CD1-CE2 4.36Å; L27-Y157 HydrophobicContact CG-CE1 4.31Å; T51-Y157 CarbonylContact C-O 3.46Å; T51-Y157 WeakPolarHBondContact CA-O 3.33Å; T51-Y157 WeakPolarHBondContact CB-O 3.37Å; V52-Y157 PolarHBondContact N-O 2.89Å; V52-Y157 PolarHBondContact O-N 2.76Å; V54-Y157 HydrophobicContact CB-CE2 4.49Å; V54-Y157 HydrophobicContact CG2-CD2 4.08Å; V54-Y157 HydrophobicContact CG2-CE2 3.75Å; E155-Y157 HydrophobicContact CB-CD2 4.45Å; E155-Y157 HydrophobicContact CB-CE2 3.57Å; E155-Y157 PolarHBondContact OE2-OH 3.19Å
158Q95.7Very high79.3Confident30 Ų3055.2 Ų55.214%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-74.9130.9161.2-159.6172.17.500108.7K26 L28 L160K26-Q158 HydrophobicContact CB-CB 4.41Å; K26-Q158 PolarHBondContact N-O 2.96Å; K26-Q158 PolarHBondContact O-N 2.91Å; L28-Q158 HydrophobicContact CD1-CB 3.81Å; L28-Q158 HydrophobicContact CD2-CB 4.07Å; L28-Q158 HydrophobicContact CG-CB 3.96Å; Q158-L160 HydrophobicContact CB-CG 4.44Å; Q158-L160 HydrophobicContact CG-CD2 3.84Å; Q158-L160 HydrophobicContact CG-CG 4.25Å; Q158-L160 PolarHBondContact O-N 3.21Å
159V92.4Very high78.1Confident7 Ų757.8 Ų57.84%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-87103.5170.7-175.40000106.9L20 V23 L25 P50 V52 Y66L20-V159 HydrophobicContact CD1-CG1 4.26Å; L20-V159 HydrophobicContact CD1-CG2 4.07Å; V23-V159 HydrophobicContact CB-CG1 3.7Å; V23-V159 HydrophobicContact CG1-CG1 3.76Å; V23-V159 HydrophobicContact CG2-CG1 3.83Å; L25-V159 HydrophobicContact CD2-CG2 3.95Å; P50-V159 HydrophobicContact CB-CB 4.08Å; P50-V159 HydrophobicContact CB-CG2 4.45Å; P50-V159 PolarHBondContact O-N 3.25Å; V52-V159 HydrophobicContact CB-CG2 4.44Å; V52-V159 HydrophobicContact CG2-CG2 3.58Å; Y66-V159 HydrophobicContact CD2-CG2 4.21Å; Y66-V159 HydrophobicContact CE2-CG2 3.98Å
160L82.5Confident77Confident45 Ų4557.9 Ų57.924%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-93.2118.1175-64.5177.1000107V23 H24 K26 Q158 L162V23-L160 WeakPolarHBondContact CA-O 3.41Å; V23-L160 WeakPolarHBondContact CB-O 3.39Å; H24-L160 VanDerWaalsContact CE1-CB 3.42Å; H24-L160 WeakPolarHBondContact CE1-CB 3.38Å; H24-L160 PolarHBondContact N-O 2.91Å; H24-L160 PolarHBondContact O-N 3.06Å; K26-L160 HydrophobicContact CB-CD1 3.89Å; K26-L160 HydrophobicContact CD-CD1 3.85Å; Q158-L160 HydrophobicContact CB-CG 4.44Å; Q158-L160 HydrophobicContact CG-CD2 3.84Å; Q158-L160 HydrophobicContact CG-CG 4.25Å; Q158-L160 PolarHBondContact O-N 3.21Å; L160-L162 PolarHBondContact O-N 3.35Å
161A67.1Low76.2Confident53 Ų5362.1 Ų62.144%0.43834%0.336SS..EExtended strand (participates in β ladder)trans-50.5134.4158.200000106.5T163A161-T163 HydrophobicContact CB-CG2 3.88Å; A161-T163 PolarHBondContact O-N 3.26Å; A161-T163 PolarHBondContact O-OG1 3.05Å; A161-T163 VanDerWaalsContact O-OG1 3.12Å
162L59.4Low75.7Confident102 Ų10267.7 Ų67.753%0.53437%0.366SS..  trans-64.281.8170.4-72.6164.2000107.6H22 H24 L160H22-L162 HydrophobicContact CB-CD1 4.34Å; H22-L162 PolarHBondContact O-N 3.07Å; H24-L162 HydrophobicContact CB-CD2 4.32Å; H24-L162 WeakPolarHBondContact ND1-CD2 3.35Å; L160-L162 PolarHBondContact O-N 3.35Å
163T42.3Very low75.5Confident100 Ų10066.9 Ų66.961%0.61337%0.366SS*.  trans-107.598.8177.943.50000105.9A161 T165A161-T163 HydrophobicContact CB-CG2 3.88Å; A161-T163 PolarHBondContact O-N 3.26Å; A161-T163 PolarHBondContact O-OG1 3.05Å; A161-T163 VanDerWaalsContact O-OG1 3.12Å; T163-T165 PolarHBondContact O-N 3.27Å
164V46.4Very low75.3Confident99 Ų9969.4 Ų69.460%0.638%0.375SS*.SBendtrans30.5-24.5157.7-169.20000121.9
165T43.4Very low75.2Confident122 Ų12272.1 Ų72.175%0.74839%0.386SS*.SBendtrans-114.5-0.9-156.442.50000120T163T163-T165 PolarHBondContact O-N 3.27Å
166E45.6Very low75Confident174 Ų17478.1 Ų78.181%0.81342%0.422SS*.SBendtrans-12985.9169.1-70.7-172.3170.300111.5
167V54.7Low74.9Confident108 Ų10879.5 Ų79.566%0.65543%0.431SS*.SBendtrans64.965.3166.8-147.90000115.7K169 I384V167-K169 VanDerWaalsContact C-N 3.31Å; V167-I384 HydrophobicContact CB-CD1 4.36Å; V167-I384 HydrophobicContact CG1-CD1 3.6Å; V167-I384 WeakPolarHBondContact O-CD1 3.5Å
168T63.4Low74.9Confident57 Ų5782.5 Ų82.535%0.3545%0.449SS..SBendtrans-86-7.5161.156.20000112.6S383 I384T168-S383 WeakPolarHBondContact O-CA 3.47Å; T168-I384 PolarHBondContact O-N 3.25Å
169K73.4Confident75Confident73 Ų7384.2 Ų84.232%0.31745%0.454SS..BIsolated β-bridgetrans-137.9133.8-169.3-166.3-179170177.90110.3V167 L372 N379 Q382V167-K169 VanDerWaalsContact C-N 3.31Å; K169-L372 HydrophobicContact CB-CD2 3.78Å; K169-L372 HydrophobicContact CD-CD2 4.17Å; K169-L372 HydrophobicContact CG-CD2 3.93Å; K169-N379 WeakPolarHBondContact CE-OD1 3.44Å; K169-N379 PolarHBondContact NZ-OD1 2.82Å; K169-Q382 CarbonylContact C-O 3.42Å; K169-Q382 WeakPolarHBondContact CA-O 3.38Å; K169-Q382 HydrophobicContact CD-CB 3.99Å; K169-Q382 VanDerWaalsContact CE-NE2 3.26Å; K169-Q382 HydrophobicContact CG-CB 3.4Å
170F74Confident75.2Confident68 Ų6886.9 Ų86.930%0.29847%0.468SS..  trans-70146.7166.6-65.1-80.4000110.1D172 W174 Q382 I384 K387F170-D172 WeakPolarHBondContact CB-O 3.31Å; F170-W174 AromaticContact CD2-CE3 3.29Å; F170-W174 HydrophobicContact CD2-CE3 3.29Å; F170-W174 AromaticContact CD2-CZ3 3.52Å; F170-W174 HydrophobicContact CD2-CZ3 3.52Å; F170-W174 HydrophobicContact CE2-CD2 4.5Å; F170-W174 AromaticContact CE2-CE3 3.45Å; F170-W174 HydrophobicContact CE2-CE3 3.45Å; F170-W174 VanDerWaalsContact CE2-CE3 3.45Å; F170-W174 AromaticContact CE2-CZ3 3.67Å; F170-W174 HydrophobicContact CE2-CZ3 3.67Å; F170-W174 HydrophobicContact CG-CE3 4.4Å; F170-Q382 WeakPolarHBondContact CD2-O 3.28Å; F170-Q382 PolarHBondContact N-O 2.9Å; F170-I384 HydrophobicContact CD1-CG1 4.28Å; F170-I384 HydrophobicContact CD2-CG1 3.68Å; F170-I384 HydrophobicContact CE1-CG1 4.01Å; F170-I384 HydrophobicContact CE2-CB 4.17Å; F170-I384 HydrophobicContact CE2-CG1 3.39Å; F170-I384 HydrophobicContact CG-CG1 4.13Å; F170-I384 HydrophobicContact CZ-CB 4.47Å; F170-I384 HydrophobicContact CZ-CG1 3.57Å; F170-K387 HydrophobicContact CE2-CB 4.29Å; F170-K387 HydrophobicContact CE2-CD 3.43Å; F170-K387 VanDerWaalsContact CE2-CD 3.43Å; F170-K387 HydrophobicContact CZ-CD 3.61Å
171E79.1Confident75.9Confident184 Ų18489.5 Ų89.586%0.8648%0.482SS*.SBendtrans-56-54.1172.7-66.6-176.7164.400110Q382E171-Q382 PolarHBondContact O-NE2 3.44Å; E171-Q382 VanDerWaalsContact O-NE2 3.13Å
172D85.3Confident77.4Confident127 Ų12793.4 Ų93.468%0.67949%0.491SS*.SBendtrans-100.1142.2174.9-65.7-51.8000112.3F170F170-D172 WeakPolarHBondContact CB-O 3.31Å
173P92.5Very high79.3Confident53 Ų5390.3 Ų90.334%0.34447%0.474SS..  trans-65.5136.4174.428.2-34000111.4R175 Y381 Q382P173-R175 WeakPolarHBondContact CB-O 3.34Å; P173-R175 PolarHBondContact O-N 2.92Å; P173-Y381 CarbonylContact C-O 3.54Å; P173-Y381 WeakPolarHBondContact CA-O 3.49Å; P173-Q382 HydrophobicContact CB-CG 3.65Å; P173-Q382 HydrophobicContact CG-CG 4.48Å
174W92.9Very high81.9Confident54 Ų5486.8 Ų86.821%0.20545%0.45CS..SBendtrans-76.2-6.9176.369.782.8000113.1F170 V380 Y381 Q382 S383 I386 K387F170-W174 AromaticContact CD2-CE3 3.29Å; F170-W174 HydrophobicContact CD2-CE3 3.29Å; F170-W174 AromaticContact CD2-CZ3 3.52Å; F170-W174 HydrophobicContact CD2-CZ3 3.52Å; F170-W174 HydrophobicContact CE2-CD2 4.5Å; F170-W174 AromaticContact CE2-CE3 3.45Å; F170-W174 HydrophobicContact CE2-CE3 3.45Å; F170-W174 VanDerWaalsContact CE2-CE3 3.45Å; F170-W174 AromaticContact CE2-CZ3 3.67Å; F170-W174 HydrophobicContact CE2-CZ3 3.67Å; F170-W174 HydrophobicContact CG-CE3 4.4Å; W174-V380 WeakPolarHBondContact CH2-O 3.44Å; W174-V380 VanDerWaalsContact CZ2-O 3.27Å; W174-V380 WeakPolarHBondContact CZ2-O 3.18Å; W174-Y381 AromaticContact CE2-CD1 3.79Å; W174-Y381 VanDerWaalsContact CE3-C 3.43Å; W174-Y381 VanDerWaalsContact CH2-CA 3.48Å; W174-Y381 VanDerWaalsContact CZ2-CA 3.47Å; W174-Y381 AromaticContact CZ2-CD1 3.87Å; W174-Y381 HydrophobicContact CZ2-CD1 3.87Å; W174-Y381 WeakPolarHBondContact CZ3-O 3.22Å; W174-Y381 PolarHBondContact N-O 2.75Å; W174-Y381 AromaticContact NE1-CD1 3.57Å; W174-Q382 VanDerWaalsContact CZ3-CA 3.48Å; W174-S383 WeakPolarHBondContact CH2-O 3.26Å; W174-S383 VanDerWaalsContact CZ3-C 3.44Å; W174-S383 WeakPolarHBondContact CZ3-O 3.31Å; W174-I386 HydrophobicContact CH2-CB 4.33Å; W174-I386 HydrophobicContact CZ2-CG2 4.33Å; W174-K387 HydrophobicContact CD2-CB 4.12Å; W174-K387 HydrophobicContact CD2-CD 3.82Å; W174-K387 HydrophobicContact CD2-CG 4.05Å; W174-K387 HydrophobicContact CE3-CB 4.07Å; W174-K387 HydrophobicContact CE3-CD 3.87Å; W174-K387 HydrophobicContact CE3-CG 4.32Å; W174-K387 HydrophobicContact CG-CD 4.08Å; W174-K387 HydrophobicContact CG-CG 4.46Å; W174-K387 HydrophobicContact CH2-CB 3.77Å; W174-K387 HydrophobicContact CZ2-CB 3.74Å; W174-K387 HydrophobicContact CZ2-CG 4.37Å; W174-K387 HydrophobicContact CZ3-CB 3.86Å; W174-K387 HydrophobicContact CZ3-CD 4.43Å
175R95.2Very high84.4Confident57 Ų5786.7 Ų86.722%0.21545%0.446CS..SBendtrans-142.4130.8163.7-66.2-171.7-171.4165.85.4109.8P173 Y381 L401 I404P173-R175 WeakPolarHBondContact CB-O 3.34Å; P173-R175 PolarHBondContact O-N 2.92Å; R175-Y381 HydrophobicContact CB-CD1 3.83Å; R175-Y381 HydrophobicContact CB-CD2 4.12Å; R175-Y381 HydrophobicContact CB-CE1 4.1Å; R175-Y381 HydrophobicContact CB-CE2 4.35Å; R175-Y381 HydrophobicContact CB-CG 3.83Å; R175-Y381 HydrophobicContact CG-CD1 4.17Å; R175-Y381 HydrophobicContact CG-CE1 4.22Å; R175-Y381 WeakPolarHBondContact O-CB 3.48Å; R175-L401 PolarHBondContact NH2-O 3.12Å; R175-I404 PolarHBondContact NH1-O 2.85Å
176T94.6Very high87Confident126 Ų12685.9 Ų85.977%0.77343%0.433SS*.  trans-75.9134.2177.8-47.60000110.9
177V95.2Very high89.5Confident29 Ų2978.4 Ų78.418%0.17640%0.399CS..  trans-135.4135.4170.31790000108.2W179 Y381 I422V177-W179 HydrophobicContact CB-CD2 4.27Å; V177-W179 HydrophobicContact CB-CH2 4.42Å; V177-W179 HydrophobicContact CB-CZ2 3.73Å; V177-W179 HydrophobicContact CG1-CD2 3.7Å; V177-W179 HydrophobicContact CG1-CE3 3.91Å; V177-W179 HydrophobicContact CG1-CG 4.37Å; V177-W179 HydrophobicContact CG1-CH2 3.92Å; V177-W179 HydrophobicContact CG1-CZ2 3.66Å; V177-W179 HydrophobicContact CG1-CZ3 4.02Å; V177-W179 HydrophobicContact CG2-CZ2 4.15Å; V177-Y381 HydrophobicContact CG2-CD2 3.41Å; V177-Y381 VanDerWaalsContact CG2-CD2 3.41Å; V177-Y381 HydrophobicContact CG2-CE2 3.4Å; V177-Y381 VanDerWaalsContact CG2-CE2 3.4Å; V177-I422 HydrophobicContact CG1-CG2 3.6Å
178T97.3Very high91.5Very high65 Ų6574.6 Ų74.640%0.39938%0.375SS..  trans-90.4110.1174.6-57.20000109N180 H183 I422T178-N180 WeakPolarHBondContact CG2-ND2 3.48Å; T178-N180 PolarHBondContact O-N 3.09Å; T178-H183 HydrophobicContact CG2-CB 3.84Å; T178-H183 PolarHBondContact O-CD2 3.44Å; T178-I422 WeakPolarHBondContact O-CD1 3.18Å
179W97.4Very high93.1Very high65 Ų6576.5 Ų76.525%0.24638%0.383CS..  trans-9468.9-173.4-59.2108.3000112.5V177 T378 V380 N419 I422 L423V177-W179 HydrophobicContact CB-CD2 4.27Å; V177-W179 HydrophobicContact CB-CH2 4.42Å; V177-W179 HydrophobicContact CB-CZ2 3.73Å; V177-W179 HydrophobicContact CG1-CD2 3.7Å; V177-W179 HydrophobicContact CG1-CE3 3.91Å; V177-W179 HydrophobicContact CG1-CG 4.37Å; V177-W179 HydrophobicContact CG1-CH2 3.92Å; V177-W179 HydrophobicContact CG1-CZ2 3.66Å; V177-W179 HydrophobicContact CG1-CZ3 4.02Å; V177-W179 HydrophobicContact CG2-CZ2 4.15Å; W179-T378 HydrophobicContact CB-CG2 4.1Å; W179-T378 HydrophobicContact CD2-CG2 3.73Å; W179-T378 HydrophobicContact CE3-CG2 4.21Å; W179-T378 HydrophobicContact CG-CG2 3.68Å; W179-V380 HydrophobicContact CH2-CG1 3.97Å; W179-V380 HydrophobicContact CZ2-CG1 3.99Å; W179-N419 HydrophobicContact CE3-CB 3.73Å; W179-N419 HydrophobicContact CZ3-CB 3.84Å; W179-N419 WeakPolarHBondContact CZ3-O 3.43Å; W179-I422 HydrophobicContact CE3-CB 4.4Å; W179-I422 HydrophobicContact CE3-CD1 4.2Å; W179-I422 HydrophobicContact CE3-CG2 4.27Å; W179-I422 HydrophobicContact CZ3-CB 4.36Å; W179-I422 HydrophobicContact CZ3-CG2 4.23Å; W179-L423 HydrophobicContact CH2-CD1 4.22Å; W179-L423 HydrophobicContact CH2-CD2 3.65Å; W179-L423 HydrophobicContact CH2-CG 3.82Å; W179-L423 HydrophobicContact CZ3-CD2 4.21Å; W179-L423 HydrophobicContact CZ3-CG 4.02Å
180N97.5Very high94.3Very high63 Ų6376.9 Ų76.934%0.33738%0.383SS..SBendtrans-148.5167.117868.233.3000113.2T178 E182 H183 K184T178-N180 WeakPolarHBondContact CG2-ND2 3.48Å; T178-N180 PolarHBondContact O-N 3.09Å; N180-E182 VanDerWaalsContact C-N 3.34Å; N180-E182 PolarHBondContact O-N 2.76Å; N180-E182 PolarHBondContact OD1-N 2.91Å; N180-H183 PolarHBondContact O-N 3.44Å; N180-H183 VanDerWaalsContact OD1-CB 3.26Å; N180-H183 WeakPolarHBondContact OD1-CB 3.46Å; N180-H183 PolarHBondContact OD1-N 3.29Å; N180-K184 PolarHBondContact O-N 2.83Å; N180-K184 VanDerWaalsContact O-N 3.12Å
181L97.6Very high95.4Very high100 Ų10073.7 Ų73.752%0.52437%0.369SS..Hα-helixtrans-64.4-37.3-177.7-18061.1000112.7K184 L185L181-K184 HydrophobicContact CD1-CD 4.14Å; L181-K184 WeakPolarHBondContact O-CB 3.45Å; L181-K184 PolarHBondContact O-N 3.14Å; L181-L185 HydrophobicContact CD1-CD1 4.49Å; L181-L185 HydrophobicContact CD1-CG 4.36Å; L181-L185 HydrophobicContact CG-CD1 4.2Å; L181-L185 HydrophobicContact CG-CG 4.49Å; L181-L185 VanDerWaalsContact O-CG 3.32Å; L181-L185 WeakPolarHBondContact O-CG 3.35Å; L181-L185 PolarHBondContact O-N 3.39Å
182E98.3Very high96.2Very high135 Ų13567.2 Ų67.263%0.63134%0.338SS*.Hα-helixtrans-59.7-49.3178.4-177.5173.9-160.600110.7N180 K184 L185 E186N180-E182 VanDerWaalsContact C-N 3.34Å; N180-E182 PolarHBondContact O-N 2.76Å; N180-E182 PolarHBondContact OD1-N 2.91Å; E182-K184 PolarHBondContact O-N 2.78Å; E182-L185 CarbonylContact O-C 3.59Å; E182-L185 WeakPolarHBondContact O-CA 3.26Å; E182-L185 WeakPolarHBondContact O-CB 2.97Å; E182-L185 PolarHBondContact O-N 2.9Å; E182-E186 WeakPolarHBondContact O-CG 3.43Å; E182-E186 PolarHBondContact O-N 3.09Å
183H98.3Very high96.7Very high38 Ų3864.8 Ų64.818%0.17633%0.325CS..Hα-helixtrans-64-38.7177.8-170.756.9000112.9T178 N180 L185 E186 L187T178-H183 HydrophobicContact CG2-CB 3.84Å; T178-H183 PolarHBondContact O-CD2 3.44Å; N180-H183 PolarHBondContact O-N 3.44Å; N180-H183 VanDerWaalsContact OD1-CB 3.26Å; N180-H183 WeakPolarHBondContact OD1-CB 3.46Å; N180-H183 PolarHBondContact OD1-N 3.29Å; H183-L185 VanDerWaalsContact C-N 3.3Å; H183-L185 PolarHBondContact O-N 3.24Å; H183-E186 IonicContact CE1-OE2 2.73Å; H183-E186 IonicContact CG-OE2 3.75Å; H183-E186 IonicContact ND1-OE2 2.83Å; H183-E186 PolarHBondContact ND1-OE2 2.79Å; H183-E186 WeakPolarHBondContact O-CB 3.18Å; H183-E186 PolarHBondContact O-N 3.38Å; H183-L187 WeakPolarHBondContact O-CG 3.33Å; H183-L187 PolarHBondContact O-N 3.04Å
184K98.3Very high96.8Very high26 Ų2663.1 Ų63.111%0.11331%0.312CS..Hα-helixtrans-55.2-48.5170.4173.5-172161.5176.80110.7N180 L181 E182 L187 M188 V418 D421 I422 L425N180-K184 PolarHBondContact O-N 2.83Å; N180-K184 VanDerWaalsContact O-N 3.12Å; L181-K184 HydrophobicContact CD1-CD 4.14Å; L181-K184 WeakPolarHBondContact O-CB 3.45Å; L181-K184 PolarHBondContact O-N 3.14Å; E182-K184 PolarHBondContact O-N 2.78Å; K184-L187 PolarHBondContact O-N 3.26Å; K184-M188 HydrophobicContact CG-SD 4.36Å; K184-M188 WeakPolarHBondContact O-CG 3.42Å; K184-M188 PolarHBondContact O-N 3.33Å; K184-V418 HydrophobicContact CB-CG1 4.33Å; K184-V418 HydrophobicContact CD-CG1 4.33Å; K184-D421 HydrophobicContact CD-CB 3.86Å; K184-D421 WeakPolarHBondContact CE-OD2 3.43Å; K184-D421 HydrophobicContact CG-CB 4.21Å; K184-D421 IonicContact NZ-OD2 3.67Å; K184-D421 PolarHBondContact NZ-OD2 3Å; K184-I422 HydrophobicContact CB-CG1 3.95Å; K184-L425 HydrophobicContact CG-CD1 3.86Å
185L97.9Very high96.8Very high96 Ų9668.8 Ų68.850%0.50334%0.338SS..Hα-helixtrans-66.2-36.8-179.7-67.6172000112L181 E182 H183 M188 N189L181-L185 HydrophobicContact CD1-CD1 4.49Å; L181-L185 HydrophobicContact CD1-CG 4.36Å; L181-L185 HydrophobicContact CG-CD1 4.2Å; L181-L185 HydrophobicContact CG-CG 4.49Å; L181-L185 VanDerWaalsContact O-CG 3.32Å; L181-L185 WeakPolarHBondContact O-CG 3.35Å; L181-L185 PolarHBondContact O-N 3.39Å; E182-L185 CarbonylContact O-C 3.59Å; E182-L185 WeakPolarHBondContact O-CA 3.26Å; E182-L185 WeakPolarHBondContact O-CB 2.97Å; E182-L185 PolarHBondContact O-N 2.9Å; H183-L185 VanDerWaalsContact C-N 3.3Å; H183-L185 PolarHBondContact O-N 3.24Å; L185-M188 PolarHBondContact O-N 3.43Å; L185-N189 VanDerWaalsContact O-CB 3.25Å; L185-N189 WeakPolarHBondContact O-CB 3.12Å; L185-N189 PolarHBondContact O-N 2.92Å
186E98.3Very high96.5Very high105 Ų10567 Ų6749%0.49133%0.334SS..Hα-helixtrans-58.8-47.4172.3-70.5174163.600111.7E182 H183 N189 Y190E182-E186 WeakPolarHBondContact O-CG 3.43Å; E182-E186 PolarHBondContact O-N 3.09Å; H183-E186 IonicContact CE1-OE2 2.73Å; H183-E186 IonicContact CG-OE2 3.75Å; H183-E186 IonicContact ND1-OE2 2.83Å; H183-E186 PolarHBondContact ND1-OE2 2.79Å; H183-E186 WeakPolarHBondContact O-CB 3.18Å; H183-E186 PolarHBondContact O-N 3.38Å; E186-N189 PolarHBondContact O-N 3.1Å; E186-Y190 WeakPolarHBondContact O-CB 3.33Å; E186-Y190 PolarHBondContact O-N 3.24Å
187L98.4Very high96.1Very high18 Ų1865.9 Ų65.99%0.09432%0.323CS..Hα-helixtrans-63.5-43.1177.7-70.1172.5000111.7H183 K184 Y190 I191 I422 L425H183-L187 WeakPolarHBondContact O-CG 3.33Å; H183-L187 PolarHBondContact O-N 3.04Å; K184-L187 PolarHBondContact O-N 3.26Å; L187-Y190 PolarHBondContact O-N 3.17Å; L187-I191 WeakPolarHBondContact O-CG1 3.23Å; L187-I191 PolarHBondContact O-N 3.32Å; L187-I422 HydrophobicContact CD1-CG2 4.23Å; L187-L425 HydrophobicContact CB-CB 3.87Å; L187-L425 HydrophobicContact CB-CD1 4.17Å; L187-L425 HydrophobicContact CD1-CB 4.01Å
188M97.5Very high95.7Very high28 Ų2865.9 Ų65.914%0.13832%0.322CS..Hα-helixtrans-59.5-48.3174.2-70.5-177.769.400110.9K184 L185 Y190 I191 E192 V226 F227 L425K184-M188 HydrophobicContact CG-SD 4.36Å; K184-M188 WeakPolarHBondContact O-CG 3.42Å; K184-M188 PolarHBondContact O-N 3.33Å; L185-M188 PolarHBondContact O-N 3.43Å; M188-Y190 VanDerWaalsContact C-N 3.32Å; M188-Y190 PolarHBondContact O-N 3.07Å; M188-I191 PolarHBondContact O-N 2.75Å; M188-E192 WeakPolarHBondContact O-CB 3.45Å; M188-E192 WeakPolarHBondContact O-CG 3.25Å; M188-E192 PolarHBondContact O-N 2.55Å; M188-V226 HydrophobicContact SD-CG1 4.31Å; M188-F227 HydrophobicContact CB-CE1 4.4Å; M188-F227 HydrophobicContact CE-CD1 3.87Å; M188-F227 HydrophobicContact CE-CE1 4.23Å; M188-F227 HydrophobicContact CG-CE1 4.32Å; M188-L425 HydrophobicContact CG-CD1 3.54Å; M188-L425 HydrophobicContact CG-CD2 3.89Å; M188-L425 HydrophobicContact CG-CG 4.39Å; M188-L425 HydrophobicContact SD-CD1 4.45Å
189N96.9Very high95.1Very high97 Ų9769 Ų6952%0.51935%0.346SS..Hα-helixtrans-62.7-37.6179.4-175.861.2000112.3L185 E186 N193L185-N189 VanDerWaalsContact O-CB 3.25Å; L185-N189 WeakPolarHBondContact O-CB 3.12Å; L185-N189 PolarHBondContact O-N 2.92Å; E186-N189 PolarHBondContact O-N 3.1Å; N189-N193 WeakPolarHBondContact O-CB 3.31Å; N189-N193 PolarHBondContact O-N 2.91Å; N189-N193 VanDerWaalsContact O-N 3.13Å; N189-N193 PolarHBondContact O-ND2 2.85Å; N189-N193 PolarHBondContact OD1-ND2 3.34Å
190Y97.7Very high94.7Very high81 Ų8169.4 Ų69.432%0.31836%0.359SS..Hα-helixtrans-60.5-52172.8176.7-88.5000111.1E186 L187 M188 E192 N193 Y194 T429E186-Y190 WeakPolarHBondContact O-CB 3.33Å; E186-Y190 PolarHBondContact O-N 3.24Å; L187-Y190 PolarHBondContact O-N 3.17Å; M188-Y190 VanDerWaalsContact C-N 3.32Å; M188-Y190 PolarHBondContact O-N 3.07Å; Y190-E192 VanDerWaalsContact C-N 3.33Å; Y190-E192 PolarHBondContact O-N 3.17Å; Y190-N193 PolarHBondContact O-N 3.05Å; Y190-Y194 WeakPolarHBondContact O-CB 3.24Å; Y190-Y194 PolarHBondContact O-N 2.77Å; Y190-T429 HydrophobicContact CD1-CG2 3.91Å; Y190-T429 HydrophobicContact CE1-CG2 3.74Å
191I97.4Very high94.4Very high0 Ų066.6 Ų66.60%034%0.344CS..Hα-helixtrans-63.2-41.6-178.4-66.5162.7000110.8L187 M188 N193 F227 L262 P263 V264 L425 I428 L432L187-I191 WeakPolarHBondContact O-CG1 3.23Å; L187-I191 PolarHBondContact O-N 3.32Å; M188-I191 PolarHBondContact O-N 2.75Å; I191-N193 VanDerWaalsContact C-N 3.33Å; I191-N193 PolarHBondContact O-N 2.76Å; I191-F227 HydrophobicContact CB-CZ 4.14Å; I191-F227 HydrophobicContact CD1-CZ 4.03Å; I191-F227 HydrophobicContact CG2-CE1 4.42Å; I191-F227 HydrophobicContact CG2-CZ 3.75Å; I191-L262 HydrophobicContact CG2-CD1 4.31Å; I191-P263 WeakPolarHBondContact O-CD 3.34Å; I191-P263 WeakPolarHBondContact O-CG 3.18Å; I191-V264 HydrophobicContact CG2-CG1 4.38Å; I191-L425 HydrophobicContact CD1-CB 4.17Å; I191-L425 HydrophobicContact CD1-CD2 3.7Å; I191-I428 HydrophobicContact CD1-CB 3.91Å; I191-I428 HydrophobicContact CD1-CG2 3.72Å; I191-I428 HydrophobicContact CG1-CG2 4Å; I191-I428 HydrophobicContact CG2-CG2 4.04Å; I191-L432 HydrophobicContact CB-CD1 4.46Å; I191-L432 HydrophobicContact CG1-CD1 4.22Å; I191-L432 HydrophobicContact CG2-CD1 4.21Å
192E95.7Very high94.1Very high49 Ų4966.1 Ų66.123%0.22935%0.349CS..Hα-helixtrans-65.2-33.1-179.9-81.4-167.2-150.100114.3M188 Y190 F227 A255 R260 L262M188-E192 WeakPolarHBondContact O-CB 3.45Å; M188-E192 WeakPolarHBondContact O-CG 3.25Å; M188-E192 PolarHBondContact O-N 2.55Å; Y190-E192 VanDerWaalsContact C-N 3.33Å; Y190-E192 PolarHBondContact O-N 3.17Å; E192-F227 HydrophobicContact CG-CE1 4.4Å; E192-A255 HydrophobicContact CG-CB 4.29Å; E192-R260 IonicContact OE2-CZ 2.76Å; E192-R260 IonicContact OE2-NE 2.74Å; E192-R260 IonicContact OE2-NH2 2.85Å; E192-R260 PolarHBondContact OE2-NH2 2.79Å; E192-R260 VanDerWaalsContact OE2-NH2 3.12Å; E192-L262 HydrophobicContact CB-CD2 4.39Å; E192-L262 HydrophobicContact CG-CD2 3.64Å
193N95Very high93.9Very high75 Ų7561.5 Ų61.540%0.40133%0.327SS..Hα-helixtrans-104.11.1-177.4-62.3-58.6000113.5N189 Y190 I191 R260N189-N193 WeakPolarHBondContact O-CB 3.31Å; N189-N193 PolarHBondContact O-N 2.91Å; N189-N193 VanDerWaalsContact O-N 3.13Å; N189-N193 PolarHBondContact O-ND2 2.85Å; N189-N193 PolarHBondContact OD1-ND2 3.34Å; Y190-N193 PolarHBondContact O-N 3.05Å; I191-N193 VanDerWaalsContact C-N 3.33Å; I191-N193 PolarHBondContact O-N 2.76Å; N193-R260 PolarHBondContact OD1-NH1 3.15Å; N193-R260 PolarHBondContact OD1-NH2 3.28Å
194Y95.8Very high93.9Very high19 Ų1959.7 Ų59.78%0.07532%0.319CS..  trans-56.5140.1172.7172.2-96.5000110.5Y190 P196 P263 L432 D436Y190-Y194 WeakPolarHBondContact O-CB 3.24Å; Y190-Y194 PolarHBondContact O-N 2.77Å; Y194-P196 HydrophobicContact CE1-CG 3.94Å; Y194-P263 HydrophobicContact CD1-CB 3.86Å; Y194-P263 HydrophobicContact CD1-CG 3.77Å; Y194-P263 HydrophobicContact CG-CG 4.3Å; Y194-P263 VanDerWaalsContact O-CB 3.31Å; Y194-P263 WeakPolarHBondContact O-CB 3.3Å; Y194-P263 VanDerWaalsContact O-CG 3.24Å; Y194-P263 WeakPolarHBondContact O-CG 3.19Å; Y194-L432 HydrophobicContact CD1-CD1 3.93Å; Y194-L432 HydrophobicContact CD1-CD2 3.65Å; Y194-L432 HydrophobicContact CD1-CG 4.24Å; Y194-L432 HydrophobicContact CD2-CB 4.3Å; Y194-L432 HydrophobicContact CD2-CD1 4.37Å; Y194-L432 HydrophobicContact CE1-CB 4.43Å; Y194-L432 HydrophobicContact CE1-CD2 3.54Å; Y194-L432 HydrophobicContact CE1-CG 4.38Å; Y194-L432 HydrophobicContact CE2-CB 4.18Å; Y194-L432 HydrophobicContact CG-CB 4.48Å; Y194-L432 HydrophobicContact CG-CD1 3.84Å; Y194-L432 HydrophobicContact CG-CD2 4.33Å; Y194-L432 HydrophobicContact CG-CG 4.44Å; Y194-D436 WeakPolarHBondContact CE2-OD1 3.15Å; Y194-D436 WeakPolarHBondContact CE2-OD2 3.38Å; Y194-D436 PolarHBondContact OH-OD1 3.16Å
195K92.7Very high93.8Very high173 Ų17360 Ų6075%0.75232%0.32SS*.  trans-132.8121.8177-68.7-179.1-176.6177.30107.8L197K195-L197 PolarHBondContact O-N 2.94Å
196P88.8Confident93.8Very high18 Ų1855.5 Ų55.512%0.11730%0.296CS..  trans-52.8141.4171.7-26.936000110.9Y194 I198 V201 Y439Y194-P196 HydrophobicContact CE1-CG 3.94Å; P196-I198 PolarHBondContact O-N 3.07Å; P196-I198 VanDerWaalsContact O-N 3.17Å; P196-V201 HydrophobicContact CB-CB 4.26Å; P196-V201 HydrophobicContact CB-CG1 4.35Å; P196-V201 WeakPolarHBondContact CB-O 3.39Å; P196-V201 HydrophobicContact CG-CG1 4.35Å; P196-V201 VanDerWaalsContact CG-O 3.32Å; P196-V201 WeakPolarHBondContact CG-O 3.06Å; P196-Y439 HydrophobicContact CB-CD2 4.37Å; P196-Y439 HydrophobicContact CB-CE2 3.78Å
197L85.2Confident93.8Very high103 Ų10350.5 Ų50.554%0.53927%0.272SS..SBendtrans-62.5-24-178.3-64.3173.1000112.7K195 D436 D440K195-L197 PolarHBondContact O-N 2.94Å; L197-D436 HydrophobicContact CD1-CB 4.04Å; L197-D440 WeakPolarHBondContact CD1-OD1 3.36Å
198I87.3Confident93.8Very high30 Ų3049.6 Ų49.615%0.15427%0.268CS..SBendtrans-102.3118.9179.3-58.4175.7000110P196 S200 V201 L318 Y439 F442P196-I198 PolarHBondContact O-N 3.07Å; P196-I198 VanDerWaalsContact O-N 3.17Å; I198-S200 VanDerWaalsContact CG2-OG 3.31Å; I198-S200 WeakPolarHBondContact CG2-OG 3.17Å; I198-S200 PolarHBondContact O-N 3.19Å; I198-S200 VanDerWaalsContact O-N 3.11Å; I198-V201 PolarHBondContact O-N 3.26Å; I198-L318 HydrophobicContact CB-CD2 4.46Å; I198-L318 HydrophobicContact CD1-CD2 3.66Å; I198-L318 HydrophobicContact CG2-CD2 3.97Å; I198-Y439 HydrophobicContact CD1-CD1 3.74Å; I198-Y439 HydrophobicContact CD1-CG 4.21Å; I198-Y439 HydrophobicContact CG1-CD1 4.2Å; I198-Y439 HydrophobicContact CG1-CG 4.35Å; I198-F442 HydrophobicContact CD1-CB 4.44Å; I198-F442 HydrophobicContact CD1-CD1 3.5Å; I198-F442 VanDerWaalsContact CD1-CD1 3.5Å; I198-F442 HydrophobicContact CD1-CE1 4.17Å; I198-F442 HydrophobicContact CD1-CG 4.34Å
199S86Confident93.7Very high130 Ų13048.3 Ų48.391%0.90926%0.261SS*.THydrogen-bonded Turntrans-60.9-22.8-17660.10000115.3V201S199-V201 PolarHBondContact O-N 3.14Å
200S87.4Confident93.6Very high74 Ų7443.7 Ų43.752%0.51724%0.237SC..THydrogen-bonded Turntrans-75.2-9.5176.267.30000113.6I198I198-S200 VanDerWaalsContact CG2-OG 3.31Å; I198-S200 WeakPolarHBondContact CG2-OG 3.17Å; I198-S200 PolarHBondContact O-N 3.19Å; I198-S200 VanDerWaalsContact O-N 3.11Å
201V91.5Very high93.3Very high4 Ų441 Ų412%0.02423%0.229CC..  trans-114.1116178.9-174.90000109.4P196 I198 S199 Q203 L318 K319 Y439P196-V201 HydrophobicContact CB-CB 4.26Å; P196-V201 HydrophobicContact CB-CG1 4.35Å; P196-V201 WeakPolarHBondContact CB-O 3.39Å; P196-V201 HydrophobicContact CG-CG1 4.35Å; P196-V201 VanDerWaalsContact CG-O 3.32Å; P196-V201 WeakPolarHBondContact CG-O 3.06Å; I198-V201 PolarHBondContact O-N 3.26Å; S199-V201 PolarHBondContact O-N 3.14Å; V201-Q203 WeakPolarHBondContact CG1-O 2.84Å; V201-L318 HydrophobicContact CG2-CB 4.23Å; V201-L318 HydrophobicContact CG2-CD2 3.81Å; V201-L318 HydrophobicContact CG2-CG 3.83Å; V201-K319 HydrophobicContact CG2-CB 4.45Å; V201-Y439 HydrophobicContact CB-CE1 4.36Å; V201-Y439 HydrophobicContact CG1-CE1 4.26Å; V201-Y439 WeakPolarHBondContact CG1-OH 3.44Å; V201-Y439 HydrophobicContact CG2-CE1 4.19Å
202S91.6Very high92.9Very high90 Ų9043 Ų4363%0.62924%0.241SC*.SBendtrans-92.6-21.2177.856.60000113.7
203Q94.9Very high92.5Very high37 Ų3742.8 Ų42.817%0.17325%0.252CS..SBendtrans-141128.9179.9-61.4-178.5-66.400110.3V201 R205 L262 P263 T265V201-Q203 WeakPolarHBondContact CG1-O 2.84Å; Q203-R205 PolarHBondContact O-N 3.19Å; Q203-L262 PolarHBondContact NE2-O 2.88Å; Q203-P263 CarbonylContact C-O 3.6Å; Q203-P263 WeakPolarHBondContact CA-O 3.32Å; Q203-T265 PolarHBondContact OE1-OG1 2.89Å
204A96.8Very high92.3Very high0 Ų039.5 Ų39.50%024%0.235CC..EExtended strand (participates in β ladder)trans-69.5126.217000000109.7I206 P263 V264 T265 L432 A435 Y439A204-I206 HydrophobicContact CB-CD1 4.33Å; A204-P263 PolarHBondContact N-O 2.88Å; A204-V264 CarbonylContact O-C 3.55Å; A204-V264 WeakPolarHBondContact O-CA 3.41Å; A204-T265 PolarHBondContact O-N 3.3Å; A204-L432 HydrophobicContact CB-CD2 3.8Å; A204-A435 HydrophobicContact CB-CB 3.97Å; A204-Y439 WeakPolarHBondContact CA-OH 3.12Å
205R97.4Very high92.2Very high34 Ų3439.2 Ų39.213%0.12824%0.238CC..EExtended strand (participates in β ladder)trans-95.5116.1177.4-63.9176.966.982.52.6110.2Q203 T250 T265 C267 K319 D320 K321 I322 H323Q203-R205 PolarHBondContact O-N 3.19Å; R205-T250 VanDerWaalsContact NH1-CG2 3.25Å; R205-T250 PolarHBondContact NH2-OG1 2.66Å; R205-T265 WeakPolarHBondContact CA-O 3.47Å; R205-C267 PolarHBondContact NH2-SG 3.39Å; R205-K319 WeakPolarHBondContact CD-O 3.26Å; R205-D320 PolarHBondContact NE-O 3.31Å; R205-K321 WeakPolarHBondContact CB-O 3.48Å; R205-K321 WeakPolarHBondContact CD-O 3.34Å; R205-I322 HydrophobicContact CB-CD1 4.16Å; R205-H323 PolarHBondContact N-ND1 3.11Å; R205-H323 PolarHBondContact O-N 2.74Å
206I98.3Very high92.3Very high0 Ų031.6 Ų31.60%020%0.204CC..EExtended strand (participates in β ladder)trans-109.4123.5-178.4-43.7-60.4000109A204 V264 T265 L266 C267 C324 T326 M431 A435A204-I206 HydrophobicContact CB-CD1 4.33Å; I206-V264 HydrophobicContact CG1-CG2 3.9Å; I206-T265 PolarHBondContact N-O 3.35Å; I206-L266 HydrophobicContact CB-CD2 3.86Å; I206-L266 HydrophobicContact CG1-CD2 4.13Å; I206-L266 HydrophobicContact CG2-CD2 4.48Å; I206-C267 WeakPolarHBondContact O-CB 3.27Å; I206-C267 PolarHBondContact O-N 3.07Å; I206-C324 WeakPolarHBondContact CA-O 3.34Å; I206-C324 HydrophobicContact CD1-CB 3.72Å; I206-C324 HydrophobicContact CG2-CB 4.35Å; I206-T326 WeakPolarHBondContact CG2-OG1 3.42Å; I206-M431 HydrophobicContact CD1-CB 4.05Å; I206-M431 HydrophobicContact CG1-CB 4.17Å; I206-M431 HydrophobicContact CG2-CB 4.26Å; I206-M431 HydrophobicContact CG2-CG 4.08Å; I206-M431 HydrophobicContact CG2-SD 3.83Å; I206-A435 HydrophobicContact CD1-CB 4.45Å
207L98.4Very high92.5Very high0 Ų031.2 Ų31.20%020%0.202CC..EExtended strand (participates in β ladder)trans-88.5123.6178.2-176.465.1000111F248 C267 T269 I288 L289 I322 C324 T326L207-F248 HydrophobicContact CD1-CE2 4.12Å; L207-C267 HydrophobicContact CD1-CB 3.97Å; L207-T269 HydrophobicContact CD1-CG2 3.42Å; L207-T269 VanDerWaalsContact CD1-CG2 3.42Å; L207-T269 HydrophobicContact CG-CG2 4.35Å; L207-I288 HydrophobicContact CD1-CG2 3.56Å; L207-I288 HydrophobicContact CD2-CG2 3.93Å; L207-I288 HydrophobicContact CG-CG2 4.38Å; L207-L289 HydrophobicContact CD2-CD2 3.7Å; L207-L289 HydrophobicContact CD2-CG 4.49Å; L207-I322 HydrophobicContact CB-CB 4.48Å; L207-I322 HydrophobicContact CB-CD1 4.03Å; L207-I322 HydrophobicContact CB-CG1 4.07Å; L207-I322 HydrophobicContact CB-CG2 3.6Å; L207-I322 HydrophobicContact CD1-CD1 4.48Å; L207-C324 PolarHBondContact N-O 3.36Å; L207-T326 PolarHBondContact O-N 3.2Å
208L97.9Very high93Very high0 Ų027.3 Ų27.30%018%0.183CC..EExtended strand (participates in β ladder)trans-94.1117.9172.8-55.6-177.8000109.4K216 F219 L266 C267 T269 T326 V328L208-K216 HydrophobicContact CB-CB 4.44Å; L208-F219 HydrophobicContact CD1-CD1 4.08Å; L208-F219 HydrophobicContact CD2-CD1 4.24Å; L208-F219 HydrophobicContact CD2-CE1 4.35Å; L208-L266 HydrophobicContact CD1-CB 4.36Å; L208-C267 PolarHBondContact N-O 3.24Å; L208-T269 PolarHBondContact O-OG1 3.43Å; L208-T269 VanDerWaalsContact O-OG1 3.14Å; L208-T326 HydrophobicContact CD2-CG2 4.11Å; L208-V328 HydrophobicContact CB-CG2 4.23Å; L208-V328 HydrophobicContact CD2-CG2 4.27Å
209I95.6Very high93.5Very high1 Ų125.9 Ų25.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-132.3145179.9-163.7161.5000111.6L272 L280 I285 V325 T326 Y327 V328 I348I209-L272 HydrophobicContact CD1-CD2 4.2Å; I209-L272 HydrophobicContact CG1-CD1 4Å; I209-L272 HydrophobicContact CG1-CD2 4.16Å; I209-L272 HydrophobicContact CG1-CG 4.12Å; I209-L280 HydrophobicContact CD1-CD2 4.18Å; I209-I285 HydrophobicContact CD1-CD1 3.42Å; I209-I285 VanDerWaalsContact CD1-CD1 3.42Å; I209-I285 HydrophobicContact CD1-CG1 3.78Å; I209-I285 HydrophobicContact CD1-CG2 4.23Å; I209-V325 HydrophobicContact CG2-CG1 3.91Å; I209-T326 PolarHBondContact N-O 3.41Å; I209-Y327 HydrophobicContact CG2-CD1 3.59Å; I209-Y327 HydrophobicContact CG2-CE1 3.85Å; I209-Y327 HydrophobicContact CG2-CG 4.32Å; I209-Y327 CarbonylContact O-C 3.56Å; I209-Y327 VanDerWaalsContact O-CA 3.28Å; I209-Y327 WeakPolarHBondContact O-CA 3.25Å; I209-V328 PolarHBondContact O-N 3.27Å; I209-I348 HydrophobicContact CD1-CD1 3.73Å; I209-I348 HydrophobicContact CD1-CG1 4.49Å; I209-I348 HydrophobicContact CD1-CG2 4.22Å; I209-I348 HydrophobicContact CG1-CD1 4.49Å
210G94.4Very high93.9Very high0 Ų019.7 Ų19.70%013%0.133CC..  trans163.2170.5-179.200000112.9K216 G271 L272G210-K216 PolarHBondContact O-NZ 3.3Å; G210-G271 WeakPolarHBondContact O-CA 3.45Å; G210-L272 PolarHBondContact O-N 2.94Å
211P92Very high94.3Very high25 Ų2516.2 Ų16.216%0.16211%0.109CC..BIsolated β-bridgetrans-56.2165.6-178.3-20.928.8000114.4V214 K216 L272 M341P211-V214 HydrophobicContact CB-CG1 3.73Å; P211-V214 HydrophobicContact CG-CG1 3.99Å; P211-V214 WeakPolarHBondContact O-CG2 3.18Å; P211-K216 PolarHBondContact O-NZ 2.84Å; P211-L272 WeakPolarHBondContact CA-O 3.29Å; P211-M341 HydrophobicContact CG-CE 4.5Å; P211-M341 HydrophobicContact CG-CG 4.13Å; P211-M341 HydrophobicContact CG-SD 3.96Å
212V87.9Confident94.6Very high40 Ų4016.1 Ų16.124%0.24211%0.108CC..THydrogen-bonded Turntrans-61.4140.7171.5-178.90000109.8V214 L272 E273V212-V214 VanDerWaalsContact C-N 3.3Å; V212-V214 PolarHBondContact O-N 3.18Å; V212-L272 PolarHBondContact N-O 3.48Å; V212-E273 HydrophobicContact CG2-CG 3.87Å
213G87.4Confident94.8Very high45 Ų4511.9 Ų11.946%0.4648%0.078SC..THydrogen-bonded Turntrans76.81.9173.700000117G215 K365G213-G215 VanDerWaalsContact C-N 3.29Å; G213-G215 PolarHBondContact O-N 3.16Å; G213-K365 PolarHBondContact O-NZ 3.27Å
214V92Very high94.8Very high6 Ų610.2 Ų10.24%0.0367%0.07CC..SBendtrans-79.3-6.9179.4-56.10000114.3P211 V212 K216 V328 D330 T364P211-V214 HydrophobicContact CB-CG1 3.73Å; P211-V214 HydrophobicContact CG-CG1 3.99Å; P211-V214 WeakPolarHBondContact O-CG2 3.18Å; V212-V214 VanDerWaalsContact C-N 3.3Å; V212-V214 PolarHBondContact O-N 3.18Å; V214-K216 HydrophobicContact CG2-CG 4.08Å; V214-V328 HydrophobicContact CG2-CB 4.12Å; V214-V328 HydrophobicContact CG2-CG1 3.97Å; V214-V328 VanDerWaalsContact CG2-O 3.23Å; V214-V328 WeakPolarHBondContact CG2-O 3.48Å; V214-D330 HydrophobicContact CB-CB 4.22Å; V214-D330 HydrophobicContact CG1-CB 3.99Å; V214-T364 PolarHBondContact O-OG1 3.38Å
215G92.7Very high94.8Very high13 Ų1310.2 Ų10.213%0.1347%0.07CC..  trans9233.3173.800000116.2G213 F219 N409G213-G215 VanDerWaalsContact C-N 3.29Å; G213-G215 PolarHBondContact O-N 3.16Å; G215-F219 VanDerWaalsContact O-CB 3.29Å; G215-F219 WeakPolarHBondContact O-CB 3.48Å; G215-F219 PolarHBondContact O-N 2.8Å; G215-N409 PolarHBondContact O-ND2 3.23Å
216K94.7Very high94.7Very high13 Ų138.8 Ų8.86%0.0577%0.066CC..Hα-helixtrans-58.6-57.7173.4-63.5-177.1-66.4-68.40112.5L208 G210 P211 V214 S218 F219 F220 D268 T269 V328L208-K216 HydrophobicContact CB-CB 4.44Å; G210-K216 PolarHBondContact O-NZ 3.3Å; P211-K216 PolarHBondContact O-NZ 2.84Å; V214-K216 HydrophobicContact CG2-CG 4.08Å; K216-S218 VanDerWaalsContact C-N 3.33Å; K216-S218 PolarHBondContact O-N 3.33Å; K216-F219 WeakPolarHBondContact O-CB 3.24Å; K216-F219 PolarHBondContact O-N 2.9Å; K216-F220 PolarHBondContact O-N 2.91Å; K216-D268 VanDerWaalsContact CB-OD1 3.26Å; K216-D268 WeakPolarHBondContact CB-OD1 3.46Å; K216-T269 WeakPolarHBondContact CE-O 3.44Å; K216-V328 HydrophobicContact CG-CB 3.79Å; K216-V328 HydrophobicContact CG-CG1 4.23Å; K216-V328 HydrophobicContact CG-CG2 3.89Å
217S93.8Very high94.6Very high11 Ų119.2 Ų9.28%0.0777%0.068CC..Hα-helixtrans-64.9-37.3179-43.20000111.9F219 F220 N221 M236 T245 D268S217-F219 VanDerWaalsContact C-N 3.34Å; S217-F219 PolarHBondContact O-N 2.95Å; S217-F220 PolarHBondContact O-N 3.07Å; S217-N221 PolarHBondContact O-N 2.95Å; S217-M236 WeakPolarHBondContact CB-O 3.25Å; S217-T245 PolarHBondContact OG-OG1 2.81Å; S217-T245 VanDerWaalsContact OG-OG1 3.1Å; S217-D268 WeakPolarHBondContact CA-OD2 3.49Å; S217-D268 VanDerWaalsContact CB-OD2 3.3Å; S217-D268 WeakPolarHBondContact CB-OD2 3.41Å; S217-D268 PolarHBondContact OG-OD2 2.99Å
218S94.7Very high94.3Very high20 Ų2013.1 Ų13.114%0.148%0.082CC..Hα-helixtrans-64.8-35174.2-54.60000112.6K216 N221 S222 S237K216-S218 VanDerWaalsContact C-N 3.33Å; K216-S218 PolarHBondContact O-N 3.33Å; S218-N221 PolarHBondContact O-N 3.17Å; S218-S222 WeakPolarHBondContact O-CB 3.45Å; S218-S222 PolarHBondContact O-N 2.94Å; S218-S222 PolarHBondContact O-OG 3.12Å; S218-S237 WeakPolarHBondContact OG-CB 3.5Å
219F97.3Very high93.9Very high0 Ų015.7 Ų15.70%011%0.108CC..Hα-helixtrans-63.6-47174.6174.6-101.9000110.9L208 G215 K216 S217 N221 S222 V223 L266 V362 V407 N409 L424 A427 I428 M431L208-F219 HydrophobicContact CD1-CD1 4.08Å; L208-F219 HydrophobicContact CD2-CD1 4.24Å; L208-F219 HydrophobicContact CD2-CE1 4.35Å; G215-F219 VanDerWaalsContact O-CB 3.29Å; G215-F219 WeakPolarHBondContact O-CB 3.48Å; G215-F219 PolarHBondContact O-N 2.8Å; K216-F219 WeakPolarHBondContact O-CB 3.24Å; K216-F219 PolarHBondContact O-N 2.9Å; S217-F219 VanDerWaalsContact C-N 3.34Å; S217-F219 PolarHBondContact O-N 2.95Å; F219-N221 PolarHBondContact O-N 3.28Å; F219-S222 WeakPolarHBondContact O-CB 3.32Å; F219-S222 PolarHBondContact O-N 3.14Å; F219-V223 HydrophobicContact CD2-CG2 4.44Å; F219-V223 HydrophobicContact CE1-CG2 4.1Å; F219-V223 HydrophobicContact CE2-CG2 4.02Å; F219-V223 HydrophobicContact CZ-CG2 3.84Å; F219-V223 WeakPolarHBondContact O-CG2 3.44Å; F219-V223 PolarHBondContact O-N 2.74Å; F219-L266 HydrophobicContact CD1-CD1 4.4Å; F219-L266 HydrophobicContact CE1-CD1 4.16Å; F219-V362 HydrophobicContact CD2-CG1 4.02Å; F219-V362 HydrophobicContact CE2-CG1 4Å; F219-V362 HydrophobicContact CE2-CG2 4.45Å; F219-V362 HydrophobicContact CZ-CG2 4.3Å; F219-V407 HydrophobicContact CD2-CG2 4.07Å; F219-V407 HydrophobicContact CE2-CG1 4.28Å; F219-V407 HydrophobicContact CE2-CG2 4.26Å; F219-N409 PolarHBondContact N-ND2 3.25Å; F219-L424 HydrophobicContact CD2-CD2 3.84Å; F219-L424 HydrophobicContact CE2-CD2 3.79Å; F219-A427 HydrophobicContact CE2-CB 4.18Å; F219-A427 HydrophobicContact CZ-CB 4.05Å; F219-I428 HydrophobicContact CE1-CD1 4.26Å; F219-I428 HydrophobicContact CZ-CD1 4.23Å; F219-M431 HydrophobicContact CE1-CE 3.71Å; F219-M431 HydrophobicContact CE1-SD 4.41Å; F219-M431 HydrophobicContact CZ-CE 3.64Å
220F95.9Very high93.7Very high0 Ų020.4 Ų20.40%013%0.13CC..Hα-helixtrans-56.6-50172.9161.4-99000111.8K216 S217 S222 V223 N224 Q234 A235 Y251 L253 L266K216-F220 PolarHBondContact O-N 2.91Å; S217-F220 PolarHBondContact O-N 3.07Å; F220-S222 PolarHBondContact O-N 2.81Å; F220-V223 PolarHBondContact O-N 2.89Å; F220-N224 HydrophobicContact CE2-CB 4.16Å; F220-N224 HydrophobicContact CZ-CB 4.08Å; F220-N224 WeakPolarHBondContact O-CB 3.5Å; F220-N224 PolarHBondContact O-N 3.46Å; F220-Q234 HydrophobicContact CE1-CB 4.02Å; F220-Q234 HydrophobicContact CE1-CG 4.23Å; F220-A235 HydrophobicContact CD1-CB 3.55Å; F220-A235 HydrophobicContact CE1-CB 4.03Å; F220-Y251 HydrophobicContact CD1-CD1 4.38Å; F220-Y251 HydrophobicContact CD1-CD2 4.06Å; F220-Y251 HydrophobicContact CD1-CE2 4.37Å; F220-Y251 HydrophobicContact CD1-CG 4.06Å; F220-Y251 HydrophobicContact CD2-CD2 4.24Å; F220-Y251 HydrophobicContact CD2-CG 4.03Å; F220-Y251 AromaticContact CE1-CD1 3.74Å; F220-Y251 HydrophobicContact CE1-CD1 3.74Å; F220-Y251 HydrophobicContact CE1-CD2 4.22Å; F220-Y251 HydrophobicContact CE1-CE1 4.18Å; F220-Y251 AromaticContact CE1-CG 3.77Å; F220-Y251 HydrophobicContact CE1-CG 3.77Å; F220-Y251 HydrophobicContact CE2-CD1 4.33Å; F220-Y251 HydrophobicContact CE2-CD2 4.45Å; F220-Y251 AromaticContact CE2-CG 3.79Å; F220-Y251 HydrophobicContact CE2-CG 3.79Å; F220-Y251 HydrophobicContact CG-CD2 4.06Å; F220-Y251 HydrophobicContact CG-CG 4.18Å; F220-Y251 VanDerWaalsContact CZ-CB 3.45Å; F220-Y251 AromaticContact CZ-CD1 3.72Å; F220-Y251 HydrophobicContact CZ-CD1 3.72Å; F220-Y251 HydrophobicContact CZ-CD2 4.43Å; F220-Y251 AromaticContact CZ-CG 3.64Å; F220-Y251 HydrophobicContact CZ-CG 3.64Å; F220-L253 HydrophobicContact CD2-CD2 4.23Å; F220-L253 HydrophobicContact CE2-CD2 3.71Å; F220-L253 HydrophobicContact CE2-CG 4.4Å; F220-L266 HydrophobicContact CB-CD1 4.29Å; F220-L266 HydrophobicContact CD2-CB 4.31Å; F220-L266 HydrophobicContact CD2-CD1 4.14Å
221N95Very high93.5Very high2 Ų222 Ų221%0.01114%0.14CC..Hα-helixtrans-56.7-41.5178.5-79.4-16.6000111.4S217 S218 F219 N224 S225 T232 N233 Q234 A235 S237S217-N221 PolarHBondContact O-N 2.95Å; S218-N221 PolarHBondContact O-N 3.17Å; F219-N221 PolarHBondContact O-N 3.28Å; N221-N224 PolarHBondContact O-N 2.96Å; N221-S225 WeakPolarHBondContact O-CB 3.25Å; N221-S225 PolarHBondContact O-N 3.24Å; N221-S225 PolarHBondContact O-OG 3.49Å; N221-T232 VanDerWaalsContact CB-O 3.31Å; N221-T232 WeakPolarHBondContact CB-O 3.47Å; N221-N233 PolarHBondContact ND2-OD1 3.45Å; N221-Q234 PolarHBondContact OD1-N 2.91Å; N221-A235 PolarHBondContact ND2-O 2.8Å; N221-A235 PolarHBondContact OD1-N 3.14Å; N221-S237 PolarHBondContact ND2-OG 2.88Å
222S96.9Very high93.2Very high1 Ų121.6 Ų21.61%0.00714%0.137CC..Hα-helixtrans-64.2-49.3179.4-56.50000111.5S218 F219 F220 N224 S225 V226 N409 Y410S218-S222 WeakPolarHBondContact O-CB 3.45Å; S218-S222 PolarHBondContact O-N 2.94Å; S218-S222 PolarHBondContact O-OG 3.12Å; F219-S222 WeakPolarHBondContact O-CB 3.32Å; F219-S222 PolarHBondContact O-N 3.14Å; F220-S222 PolarHBondContact O-N 2.81Å; S222-N224 PolarHBondContact O-N 2.76Å; S222-S225 VanDerWaalsContact O-CB 3.28Å; S222-S225 WeakPolarHBondContact O-CB 3.27Å; S222-S225 PolarHBondContact O-N 2.92Å; S222-S225 VanDerWaalsContact O-N 3.13Å; S222-V226 WeakPolarHBondContact O-CG2 3.4Å; S222-V226 PolarHBondContact O-N 3.13Å; S222-N409 WeakPolarHBondContact OG-CA 3.41Å; S222-N409 WeakPolarHBondContact OG-CB 3.21Å; S222-Y410 PolarHBondContact OG-N 3.24Å
223V97Very high93.1Very high1 Ų125.3 Ų25.31%0.00616%0.156CC..Hα-helixtrans-60.9-45.1176.6174.80000111.2F219 F220 S225 V226 F227 L253 L424 I428F219-V223 HydrophobicContact CD2-CG2 4.44Å; F219-V223 HydrophobicContact CE1-CG2 4.1Å; F219-V223 HydrophobicContact CE2-CG2 4.02Å; F219-V223 HydrophobicContact CZ-CG2 3.84Å; F219-V223 WeakPolarHBondContact O-CG2 3.44Å; F219-V223 PolarHBondContact O-N 2.74Å; F220-V223 PolarHBondContact O-N 2.89Å; V223-S225 PolarHBondContact O-N 2.66Å; V223-V226 WeakPolarHBondContact O-CB 3.44Å; V223-V226 PolarHBondContact O-N 2.87Å; V223-F227 HydrophobicContact CG1-CD2 4.21Å; V223-F227 HydrophobicContact CG1-CE2 3.95Å; V223-F227 WeakPolarHBondContact O-CD2 3.26Å; V223-F227 PolarHBondContact O-N 3.32Å; V223-L253 HydrophobicContact CG1-CD1 3.57Å; V223-L253 HydrophobicContact CG1-CD2 4.24Å; V223-L424 HydrophobicContact CG2-CB 4.29Å; V223-L424 HydrophobicContact CG2-CD2 4.26Å; V223-I428 HydrophobicContact CG1-CD1 3.95Å; V223-I428 HydrophobicContact CG1-CG1 3.76Å; V223-I428 HydrophobicContact CG2-CD1 4.06Å; V223-I428 HydrophobicContact CG2-CG1 3.97Å
224N95.4Very high92.9Very high2 Ų227.8 Ų27.81%0.01116%0.155CC..Hα-helixtrans-60.8-34.4176.5-176.257.2000112.1F220 N221 S222 F227 R228 T232 L253F220-N224 HydrophobicContact CE2-CB 4.16Å; F220-N224 HydrophobicContact CZ-CB 4.08Å; F220-N224 WeakPolarHBondContact O-CB 3.5Å; F220-N224 PolarHBondContact O-N 3.46Å; N221-N224 PolarHBondContact O-N 2.96Å; S222-N224 PolarHBondContact O-N 2.76Å; N224-F227 PolarHBondContact O-N 2.96Å; N224-R228 PolarHBondContact ND2-NE 2.96Å; N224-R228 WeakPolarHBondContact O-CB 3.39Å; N224-R228 WeakPolarHBondContact O-CG 3.43Å; N224-R228 PolarHBondContact O-N 2.96Å; N224-R228 PolarHBondContact OD1-NE 2.89Å; N224-T232 PolarHBondContact ND2-OG1 3.17Å; N224-L253 HydrophobicContact CB-CD2 3.66Å
225S95.5Very high92.2Very high0 Ų027.5 Ų27.50%015%0.154CC..Hα-helixtrans-64.4-40.8177-57.80000112N221 S222 V223 F227 R228 G229 H230 V231 T232N221-S225 WeakPolarHBondContact O-CB 3.25Å; N221-S225 PolarHBondContact O-N 3.24Å; N221-S225 PolarHBondContact O-OG 3.49Å; S222-S225 VanDerWaalsContact O-CB 3.28Å; S222-S225 WeakPolarHBondContact O-CB 3.27Å; S222-S225 PolarHBondContact O-N 2.92Å; S222-S225 VanDerWaalsContact O-N 3.13Å; V223-S225 PolarHBondContact O-N 2.66Å; S225-F227 PolarHBondContact O-N 3.13Å; S225-R228 PolarHBondContact O-N 3.26Å; S225-G229 PolarHBondContact O-N 2.97Å; S225-H230 WeakPolarHBondContact CA-O 3.4Å; S225-H230 VanDerWaalsContact CB-O 3.22Å; S225-H230 WeakPolarHBondContact CB-O 3.32Å; S225-H230 PolarHBondContact O-N 3.48Å; S225-V231 WeakPolarHBondContact OG-CA 3.23Å; S225-T232 PolarHBondContact OG-N 2.89Å; S225-T232 PolarHBondContact OG-OG1 3.31Å
226V96.4Very high91.3Very high5 Ų532.9 Ų32.93%0.0318%0.177CC..Hα-helixtrans-57-49.3176.6-171.30000111.1M188 S222 V223 G229 Y410 D421 L424 L425M188-V226 HydrophobicContact SD-CG1 4.31Å; S222-V226 WeakPolarHBondContact O-CG2 3.4Å; S222-V226 PolarHBondContact O-N 3.13Å; V223-V226 WeakPolarHBondContact O-CB 3.44Å; V223-V226 PolarHBondContact O-N 2.87Å; V226-G229 PolarHBondContact O-N 2.99Å; V226-Y410 HydrophobicContact CG2-CE2 4.34Å; V226-D421 HydrophobicContact CG1-CB 3.96Å; V226-D421 HydrophobicContact CG2-CB 4.31Å; V226-D421 VanDerWaalsContact CG2-OD1 3.27Å; V226-D421 WeakPolarHBondContact CG2-OD1 3.18Å; V226-L424 HydrophobicContact CG2-CB 4.48Å; V226-L424 HydrophobicContact CG2-CD1 3.99Å; V226-L425 HydrophobicContact CG1-CD1 4Å; V226-L425 HydrophobicContact CG1-CD2 4.05Å; V226-L425 HydrophobicContact CG1-CG 4.09Å
227F95Very high89.8Confident9 Ų934.4 Ų34.44%0.03919%0.189CC..Hα-helixtrans-74.8-25.2-179.1-68.5-76000113.6M188 I191 E192 V223 N224 S225 K254 G256 L262 L425M188-F227 HydrophobicContact CB-CE1 4.4Å; M188-F227 HydrophobicContact CE-CD1 3.87Å; M188-F227 HydrophobicContact CE-CE1 4.23Å; M188-F227 HydrophobicContact CG-CE1 4.32Å; I191-F227 HydrophobicContact CB-CZ 4.14Å; I191-F227 HydrophobicContact CD1-CZ 4.03Å; I191-F227 HydrophobicContact CG2-CE1 4.42Å; I191-F227 HydrophobicContact CG2-CZ 3.75Å; E192-F227 HydrophobicContact CG-CE1 4.4Å; V223-F227 HydrophobicContact CG1-CD2 4.21Å; V223-F227 HydrophobicContact CG1-CE2 3.95Å; V223-F227 WeakPolarHBondContact O-CD2 3.26Å; V223-F227 PolarHBondContact O-N 3.32Å; N224-F227 PolarHBondContact O-N 2.96Å; S225-F227 PolarHBondContact O-N 3.13Å; F227-K254 VanDerWaalsContact CB-O 3.29Å; F227-K254 WeakPolarHBondContact CB-O 3.17Å; F227-G256 VanDerWaalsContact O-CA 3.23Å; F227-G256 WeakPolarHBondContact O-CA 3.28Å; F227-G256 PolarHBondContact O-N 3.49Å; F227-L262 HydrophobicContact CD1-CD1 3.62Å; F227-L262 HydrophobicContact CD2-CD1 3.6Å; F227-L262 HydrophobicContact CE1-CD1 3.55Å; F227-L262 HydrophobicContact CE1-CD2 4.47Å; F227-L262 HydrophobicContact CE2-CD1 3.54Å; F227-L262 HydrophobicContact CG-CD1 3.65Å; F227-L262 HydrophobicContact CZ-CD1 3.52Å; F227-L425 HydrophobicContact CE1-CD2 4.3Å; F227-L425 HydrophobicContact CE2-CD2 3.9Å; F227-L425 HydrophobicContact CZ-CD2 3.6Å
228R91.8Very high88.2Confident82 Ų8236.4 Ų36.431%0.30921%0.212SC..Hα-helixtrans-82-19.3174.8-75.9-176175.4-122.38.4113.7N224 S225 H230 T232N224-R228 PolarHBondContact ND2-NE 2.96Å; N224-R228 WeakPolarHBondContact O-CB 3.39Å; N224-R228 WeakPolarHBondContact O-CG 3.43Å; N224-R228 PolarHBondContact O-N 2.96Å; N224-R228 PolarHBondContact OD1-NE 2.89Å; S225-R228 PolarHBondContact O-N 3.26Å; R228-H230 VanDerWaalsContact C-N 3.33Å; R228-T232 HydrophobicContact CB-CG2 4.38Å
229G91.5Very high86.4Confident53 Ų5342.2 Ų42.255%0.54625%0.251SS..THydrogen-bonded Turntrans81.18.7-177.400000114.5S225 V226 L416S225-G229 PolarHBondContact O-N 2.97Å; V226-G229 PolarHBondContact O-N 2.99Å; G229-L416 VanDerWaalsContact C-CD1 3.47Å
230H89.8Confident84.3Confident101 Ų10144.4 Ų44.447%0.46827%0.266SS..SBendtrans-155.8157.1174.465.877.6000110.6S225 R228 T232S225-H230 WeakPolarHBondContact CA-O 3.4Å; S225-H230 VanDerWaalsContact CB-O 3.22Å; S225-H230 WeakPolarHBondContact CB-O 3.32Å; S225-H230 PolarHBondContact O-N 3.48Å; R228-H230 VanDerWaalsContact C-N 3.33Å; H230-T232 WeakPolarHBondContact CE1-CG2 3.13Å; H230-T232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-T232 PolarHBondContact O-N 3.15Å
231V90.1Very high82.3Confident32 Ų3250.1 Ų50.119%0.19431%0.306CS..  trans-61.4136177.61760000111.1S225 Y410 L414 L416S225-V231 WeakPolarHBondContact OG-CA 3.23Å; V231-Y410 HydrophobicContact CG2-CD1 4.33Å; V231-Y410 HydrophobicContact CG2-CG 4.19Å; V231-L414 WeakPolarHBondContact CB-O 3.24Å; V231-L414 WeakPolarHBondContact CG2-O 3.34Å; V231-L416 HydrophobicContact CG2-CD2 4.23Å
232T87.2Confident80.5Confident17 Ų1754 Ų5410%0.10433%0.329CS..  trans-137.6150.7-177.359.90000112.3N221 N224 S225 R228 H230N221-T232 VanDerWaalsContact CB-O 3.31Å; N221-T232 WeakPolarHBondContact CB-O 3.47Å; N224-T232 PolarHBondContact ND2-OG1 3.17Å; S225-T232 PolarHBondContact OG-N 2.89Å; S225-T232 PolarHBondContact OG-OG1 3.31Å; R228-T232 HydrophobicContact CB-CG2 4.38Å; H230-T232 WeakPolarHBondContact CE1-CG2 3.13Å; H230-T232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-T232 PolarHBondContact O-N 3.15Å
233N84.3Confident79.1Confident119 Ų11954.7 Ų54.764%0.63633%0.334SS*.  trans-128.964.8178.3-75.9-44.1000111N221N221-N233 PolarHBondContact ND2-OD1 3.45Å
234Q83.3Confident77.6Confident96 Ų9657.9 Ų57.945%0.44935%0.351SS..  trans-79.4-39.4-179.6174178-15.100112F220 N221 Y251F220-Q234 HydrophobicContact CE1-CB 4.02Å; F220-Q234 HydrophobicContact CE1-CG 4.23Å; N221-Q234 PolarHBondContact OD1-N 2.91Å; Q234-Y251 HydrophobicContact CG-CE1 4.43Å
235A77.1Confident76.3Confident1 Ų158.4 Ų58.41%0.00835%0.354CS..SBendtrans-83.6139.417000000110F220 N221 S237 Y251F220-A235 HydrophobicContact CD1-CB 3.55Å; F220-A235 HydrophobicContact CE1-CB 4.03Å; N221-A235 PolarHBondContact ND2-O 2.8Å; N221-A235 PolarHBondContact OD1-N 3.14Å; A235-S237 PolarHBondContact O-N 3.32Å; A235-S237 VanDerWaalsContact O-N 3.11Å; A235-Y251 HydrophobicContact CB-CE1 4.25Å; A235-Y251 HydrophobicContact CB-CE2 3.85Å; A235-Y251 WeakPolarHBondContact CB-OH 3.47Å
236M75.2Confident75.4Confident125 Ų12561 Ų6162%0.61637%0.37SS*.  trans-61.3116.1175.2-63.5-166.2-53.300109.3S217 L244S217-M236 WeakPolarHBondContact CB-O 3.25Å; M236-L244 WeakPolarHBondContact CE-O 3.35Å
237S63.7Low74.8Confident45 Ų4563.8 Ų63.832%0.31538%0.383SS..  trans-136.5143.1178.563.70000109.7S218 N221 A235S218-S237 WeakPolarHBondContact OG-CB 3.5Å; N221-S237 PolarHBondContact ND2-OG 2.88Å; A235-S237 PolarHBondContact O-N 3.32Å; A235-S237 VanDerWaalsContact O-N 3.11Å
238G58.7Low74.4Confident54 Ų5463.5 Ų63.556%0.55738%0.382SS*.  trans172.7178.3-173.900000112.5L244G238-L244 VanDerWaalsContact CA-CD1 3.45Å; G238-L244 WeakPolarHBondContact O-CD1 3.36Å
239C56.7Low74.4Confident142 Ų14263 Ų6396%0.95938%0.38SS*.  trans-100.4115.1177.6-163.90000109.9
240S54.6Low74.5Confident46 Ų4661.6 Ų61.632%0.32236%0.361SS..  trans-143.7152.8173.3178.80000108.9T242S240-T242 WeakPolarHBondContact CB-O 3.29Å; S240-T242 PolarHBondContact O-N 3.3Å; S240-T242 PolarHBondContact OG-N 2.68Å; S240-T242 PolarHBondContact OG-O 2.98Å; S240-T242 PolarHBondContact OG-OG1 3.39Å
241S52.5Low74.6Confident120 Ų12057.5 Ų57.584%0.83934%0.341SS*.SBendtrans-68.5-22.3173.1520000112.6
242T58.8Low74.7Confident82 Ų8258 Ų5850%0.50335%0.347SS..SBendtrans-114.6161.5177.4580000111.4S240 L244S240-T242 WeakPolarHBondContact CB-O 3.29Å; S240-T242 PolarHBondContact O-N 3.3Å; S240-T242 PolarHBondContact OG-N 2.68Å; S240-T242 PolarHBondContact OG-O 2.98Å; S240-T242 PolarHBondContact OG-OG1 3.39Å; T242-L244 PolarHBondContact O-N 3.18Å; T242-L244 VanDerWaalsContact O-N 3.17Å
243S67.6Low75Confident16 Ų1657.2 Ų57.211%0.11234%0.342CS..  trans-61118.7178.4-166.90000111.9T245 M270 G271S243-T245 PolarHBondContact OG-O 3.4Å; S243-M270 WeakPolarHBondContact OG-CG 3.43Å; S243-G271 PolarHBondContact OG-N 3.39Å
244L64.9Low75.3Confident69 Ų6955.6 Ų55.636%0.36133%0.329SS..SBendtrans-70.1-36.8172.6-68.3174.9000111.9M236 G238 T242 T246M236-L244 WeakPolarHBondContact CE-O 3.35Å; G238-L244 VanDerWaalsContact CA-CD1 3.45Å; G238-L244 WeakPolarHBondContact O-CD1 3.36Å; T242-L244 PolarHBondContact O-N 3.18Å; T242-L244 VanDerWaalsContact O-N 3.17Å; L244-T246 PolarHBondContact O-N 3.46Å
245T67.1Low75.6Confident12 Ų1252 Ų527%0.07432%0.316CS..  trans-80.3106.8172.2-540000107.8S217 S243 Q247 M270S217-T245 PolarHBondContact OG-OG1 2.81Å; S217-T245 VanDerWaalsContact OG-OG1 3.1Å; S243-T245 PolarHBondContact OG-O 3.4Å; T245-Q247 VanDerWaalsContact CG2-O 3.23Å; T245-Q247 WeakPolarHBondContact CG2-O 3.44Å; T245-M270 VanDerWaalsContact O-CA 3.24Å; T245-M270 WeakPolarHBondContact O-CA 3.42Å; T245-M270 VanDerWaalsContact O-CB 3.31Å; T245-M270 WeakPolarHBondContact O-CB 3.25Å; T245-M270 VanDerWaalsContact O-CG 3.25Å; T245-M270 WeakPolarHBondContact O-CG 3.47Å
246T77.1Confident76Confident54 Ų5453 Ų5333%0.33133%0.326SS..  trans-106.4-3.3176.961.80000112.4L244 Q298 F299L244-T246 PolarHBondContact O-N 3.46Å; T246-Q298 VanDerWaalsContact CB-NE2 3.32Å; T246-Q298 PolarHBondContact O-NE2 3Å; T246-Q298 PolarHBondContact OG1-NE2 3.16Å; T246-Q298 VanDerWaalsContact OG1-NE2 3.15Å; T246-F299 WeakPolarHBondContact O-CD2 3.1Å; T246-F299 PolarHBondContact O-N 2.93Å; T246-F299 VanDerWaalsContact O-N 3.17Å
247Q83.3Confident76.1Confident64 Ų6456.8 Ų56.830%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-117.3148.4178.8-66.5178700111.3T245 R249 Y297 Q298T245-Q247 VanDerWaalsContact CG2-O 3.23Å; T245-Q247 WeakPolarHBondContact CG2-O 3.44Å; Q247-R249 HydrophobicContact CB-CG 4.27Å; Q247-R249 PolarHBondContact O-N 3.49Å; Q247-Y297 CarbonylContact C-O 3.3Å; Q247-Y297 WeakPolarHBondContact CA-O 3.44Å; Q247-Q298 HydrophobicContact CG-CB 4.44Å
248F87.9Confident76.8Confident3 Ų363.1 Ų63.11%0.01336%0.358CS..EExtended strand (participates in β ladder)trans-70.1123.5162179.4-112.4000109L207 C267 T269 I288 L293 P294 C296 Y297 F299L207-F248 HydrophobicContact CD1-CE2 4.12Å; F248-C267 HydrophobicContact CE2-CB 3.77Å; F248-C267 HydrophobicContact CZ-CB 3.85Å; F248-T269 HydrophobicContact CD2-CG2 4.24Å; F248-T269 HydrophobicContact CE2-CG2 4.48Å; F248-I288 HydrophobicContact CD2-CD1 4.24Å; F248-I288 HydrophobicContact CD2-CG1 4.39Å; F248-I288 HydrophobicContact CD2-CG2 4.41Å; F248-I288 HydrophobicContact CE2-CG1 4.4Å; F248-I288 HydrophobicContact CE2-CG2 3.66Å; F248-I288 HydrophobicContact CZ-CG2 4.02Å; F248-L293 HydrophobicContact CB-CD2 4.42Å; F248-L293 HydrophobicContact CD1-CB 4.09Å; F248-L293 HydrophobicContact CE1-CB 4.32Å; F248-P294 WeakPolarHBondContact CD1-O 3.43Å; F248-C296 WeakPolarHBondContact O-CA 3.48Å; F248-C296 PolarHBondContact O-N 3.37Å; F248-Y297 PolarHBondContact N-O 2.58Å; F248-F299 HydrophobicContact CB-CE2 3.86Å; F248-F299 HydrophobicContact CB-CZ 3.7Å; F248-F299 HydrophobicContact CD2-CZ 4.48Å; F248-F299 VanDerWaalsContact N-CE2 3.31Å
249R91.1Very high77.9Confident72 Ų7262.1 Ų62.127%0.27235%0.348SS..EExtended strand (participates in β ladder)trans-126.5128.3-176.7-66.3-66.4-59.2-168.312110.5Q247 Y251 C267 D268 D295 C296Q247-R249 HydrophobicContact CB-CG 4.27Å; Q247-R249 PolarHBondContact O-N 3.49Å; R249-Y251 HydrophobicContact CB-CD2 4.19Å; R249-Y251 HydrophobicContact CB-CE1 4.41Å; R249-Y251 HydrophobicContact CB-CE2 3.44Å; R249-Y251 VanDerWaalsContact CB-CE2 3.44Å; R249-Y251 HydrophobicContact CG-CE2 4.4Å; R249-C267 CarbonylContact O-C 3.56Å; R249-C267 WeakPolarHBondContact O-CA 3.37Å; R249-D268 PolarHBondContact N-O 3.46Å; R249-D268 PolarHBondContact O-N 3.22Å; R249-D295 WeakPolarHBondContact CA-OD1 3.12Å; R249-C296 PolarHBondContact NH1-SG 2.98Å
250T93.1Very high79.5Confident23 Ų2361.4 Ų61.414%0.14133%0.325CS..EExtended strand (participates in β ladder)trans-103.2114.2175.9-630000108.5R205 T265 D295R205-T250 VanDerWaalsContact NH1-CG2 3.25Å; R205-T250 PolarHBondContact NH2-OG1 2.66Å; T250-T265 HydrophobicContact CG2-CG2 3.17Å; T250-D295 PolarHBondContact N-OD1 3.41Å
251Y93.5Very high81.3Confident15 Ų1563.9 Ų63.96%0.05933%0.334CS..EExtended strand (participates in β ladder)trans-111.7114179.7-58.9-78.2000111.7F220 Q234 A235 R249 T265 L266 D268F220-Y251 HydrophobicContact CD1-CD1 4.38Å; F220-Y251 HydrophobicContact CD1-CD2 4.06Å; F220-Y251 HydrophobicContact CD1-CE2 4.37Å; F220-Y251 HydrophobicContact CD1-CG 4.06Å; F220-Y251 HydrophobicContact CD2-CD2 4.24Å; F220-Y251 HydrophobicContact CD2-CG 4.03Å; F220-Y251 AromaticContact CE1-CD1 3.74Å; F220-Y251 HydrophobicContact CE1-CD1 3.74Å; F220-Y251 HydrophobicContact CE1-CD2 4.22Å; F220-Y251 HydrophobicContact CE1-CE1 4.18Å; F220-Y251 AromaticContact CE1-CG 3.77Å; F220-Y251 HydrophobicContact CE1-CG 3.77Å; F220-Y251 HydrophobicContact CE2-CD1 4.33Å; F220-Y251 HydrophobicContact CE2-CD2 4.45Å; F220-Y251 AromaticContact CE2-CG 3.79Å; F220-Y251 HydrophobicContact CE2-CG 3.79Å; F220-Y251 HydrophobicContact CG-CD2 4.06Å; F220-Y251 HydrophobicContact CG-CG 4.18Å; F220-Y251 VanDerWaalsContact CZ-CB 3.45Å; F220-Y251 AromaticContact CZ-CD1 3.72Å; F220-Y251 HydrophobicContact CZ-CD1 3.72Å; F220-Y251 HydrophobicContact CZ-CD2 4.43Å; F220-Y251 AromaticContact CZ-CG 3.64Å; F220-Y251 HydrophobicContact CZ-CG 3.64Å; Q234-Y251 HydrophobicContact CG-CE1 4.43Å; A235-Y251 HydrophobicContact CB-CE1 4.25Å; A235-Y251 HydrophobicContact CB-CE2 3.85Å; A235-Y251 WeakPolarHBondContact CB-OH 3.47Å; R249-Y251 HydrophobicContact CB-CD2 4.19Å; R249-Y251 HydrophobicContact CB-CE1 4.41Å; R249-Y251 HydrophobicContact CB-CE2 3.44Å; R249-Y251 VanDerWaalsContact CB-CE2 3.44Å; R249-Y251 HydrophobicContact CG-CE2 4.4Å; Y251-T265 WeakPolarHBondContact O-CA 3.41Å; Y251-L266 PolarHBondContact N-O 3.24Å; Y251-L266 PolarHBondContact O-N 3.37Å; Y251-D268 HydrophobicContact CD2-CB 4.16Å; Y251-D268 HydrophobicContact CE2-CB 3.79Å
252S92.3Very high83.3Confident44 Ų4458.2 Ų58.231%0.30829%0.294SS..EExtended strand (participates in β ladder)trans-87.5131.9170.1-55.50000110.6T265S252-T265 PolarHBondContact OG-OG1 3.44Å
253L92Very high85.1Confident0 Ų054.8 Ų54.80%027%0.274CS..EExtended strand (participates in β ladder)trans-84.1154.8178.3-67.3165.3000111F220 V223 N224 L261 L262 V264F220-L253 HydrophobicContact CD2-CD2 4.23Å; F220-L253 HydrophobicContact CE2-CD2 3.71Å; F220-L253 HydrophobicContact CE2-CG 4.4Å; V223-L253 HydrophobicContact CG1-CD1 3.57Å; V223-L253 HydrophobicContact CG1-CD2 4.24Å; N224-L253 HydrophobicContact CB-CD2 3.66Å; L253-L261 WeakPolarHBondContact O-CA 3.5Å; L253-L262 HydrophobicContact CB-CB 4.05Å; L253-L262 HydrophobicContact CB-CD1 3.62Å; L253-L262 HydrophobicContact CB-CG 4Å; L253-L262 HydrophobicContact CD1-CD1 4.46Å; L253-L262 PolarHBondContact O-N 2.93Å; L253-V264 HydrophobicContact CD1-CG1 3.94Å
254K90.8Very high86.5Confident84 Ų8454 Ų5437%0.36527%0.269SS..EExtended strand (participates in β ladder)trans-127.9143177.2-67.6-176.4-179.6-172.90110.5F227 G256 R260 L261F227-K254 VanDerWaalsContact CB-O 3.29Å; F227-K254 WeakPolarHBondContact CB-O 3.17Å; K254-G256 WeakPolarHBondContact CB-O 3.37Å; K254-G256 PolarHBondContact O-N 3.48Å; K254-G256 VanDerWaalsContact O-N 3.08Å; K254-R260 WeakPolarHBondContact CA-O 3.48Å; K254-L261 HydrophobicContact CG-CD2 3.96Å
255A89.6Confident88Confident22 Ų2250.8 Ų50.818%0.18225%0.252CS..SBendtrans-75.387.3171.300000110E192 G259 R260 L262E192-A255 HydrophobicContact CG-CB 4.29Å; A255-G259 WeakPolarHBondContact O-CA 3.39Å; A255-R260 HydrophobicContact CB-CG 4.26Å; A255-R260 PolarHBondContact N-O 3.12Å; A255-L262 HydrophobicContact CB-CD2 3.87Å
256G85.3Confident89.4Confident21 Ų2150.2 Ų50.222%0.21625%0.248CC..SBendtrans82.7-176.1-173.500000114.2F227 K254 E258F227-G256 VanDerWaalsContact O-CA 3.23Å; F227-G256 WeakPolarHBondContact O-CA 3.28Å; F227-G256 PolarHBondContact O-N 3.49Å; K254-G256 WeakPolarHBondContact CB-O 3.37Å; K254-G256 PolarHBondContact O-N 3.48Å; K254-G256 VanDerWaalsContact O-N 3.08Å; G256-E258 PolarHBondContact O-N 2.61Å
257R77.1Confident90.4Very high204 Ų20447.7 Ų47.777%0.7723%0.232SC*.SBendtrans-62.9-42.3-172-172.7179.3178.9179.9-0.3113.6
258E79.1Confident90.8Very high178 Ų17844.6 Ų44.683%0.83222%0.218SC*.SBendtrans-124.512.3-176.8-63.7-172.7172.700112.9G256G256-E258 PolarHBondContact O-N 2.61Å
259G82.6Confident91Very high34 Ų3444.5 Ų44.535%0.35122%0.217SC..SBendtrans-78.3-178.6-178.700000114A255A255-G259 WeakPolarHBondContact O-CA 3.39Å
260R89.8Confident90.8Very high126 Ų12641.7 Ų41.748%0.47521%0.208SC..PPolyproline II helixtrans-59.7150.1-179.162.2179.7172.7174.7-3.5111.9E192 N193 K254 A255 L262E192-R260 IonicContact OE2-CZ 2.76Å; E192-R260 IonicContact OE2-NE 2.74Å; E192-R260 IonicContact OE2-NH2 2.85Å; E192-R260 PolarHBondContact OE2-NH2 2.79Å; E192-R260 VanDerWaalsContact OE2-NH2 3.12Å; N193-R260 PolarHBondContact OD1-NH1 3.15Å; N193-R260 PolarHBondContact OD1-NH2 3.28Å; K254-R260 WeakPolarHBondContact CA-O 3.48Å; A255-R260 HydrophobicContact CB-CG 4.26Å; A255-R260 PolarHBondContact N-O 3.12Å; R260-L262 PolarHBondContact O-N 2.64Å
261L92.7Very high90.5Very high99 Ų9940.6 Ų40.652%0.51820%0.201SC..EExtended strand (participates in β ladder)trans-62.5133168-70.3169.6000109.2L253 K254L253-L261 WeakPolarHBondContact O-CA 3.5Å; K254-L261 HydrophobicContact CG-CD2 3.96Å
262L94.8Very high90.2Very high0 Ų040 Ų400%020%0.199CC..EExtended strand (participates in β ladder)trans-72.7152.8172.3-61.2-171.8000110I191 E192 Q203 F227 L253 A255 R260 V264I191-L262 HydrophobicContact CG2-CD1 4.31Å; E192-L262 HydrophobicContact CB-CD2 4.39Å; E192-L262 HydrophobicContact CG-CD2 3.64Å; Q203-L262 PolarHBondContact NE2-O 2.88Å; F227-L262 HydrophobicContact CD1-CD1 3.62Å; F227-L262 HydrophobicContact CD2-CD1 3.6Å; F227-L262 HydrophobicContact CE1-CD1 3.55Å; F227-L262 HydrophobicContact CE1-CD2 4.47Å; F227-L262 HydrophobicContact CE2-CD1 3.54Å; F227-L262 HydrophobicContact CG-CD1 3.65Å; F227-L262 HydrophobicContact CZ-CD1 3.52Å; L253-L262 HydrophobicContact CB-CB 4.05Å; L253-L262 HydrophobicContact CB-CD1 3.62Å; L253-L262 HydrophobicContact CB-CG 4Å; L253-L262 HydrophobicContact CD1-CD1 4.46Å; L253-L262 PolarHBondContact O-N 2.93Å; A255-L262 HydrophobicContact CB-CD2 3.87Å; R260-L262 PolarHBondContact O-N 2.64Å; L262-V264 HydrophobicContact CB-CG1 4.11Å; L262-V264 PolarHBondContact O-N 3.45Å
263P95.1Very high89.8Confident11 Ų1140 Ų407%0.07119%0.194CC..EExtended strand (participates in β ladder)trans-75.626.7-178.835.8-40.4000113.1I191 Y194 Q203 A204I191-P263 WeakPolarHBondContact O-CD 3.34Å; I191-P263 WeakPolarHBondContact O-CG 3.18Å; Y194-P263 HydrophobicContact CD1-CB 3.86Å; Y194-P263 HydrophobicContact CD1-CG 3.77Å; Y194-P263 HydrophobicContact CG-CG 4.3Å; Y194-P263 VanDerWaalsContact O-CB 3.31Å; Y194-P263 WeakPolarHBondContact O-CB 3.3Å; Y194-P263 VanDerWaalsContact O-CG 3.24Å; Y194-P263 WeakPolarHBondContact O-CG 3.19Å; Q203-P263 CarbonylContact C-O 3.6Å; Q203-P263 WeakPolarHBondContact CA-O 3.32Å; A204-P263 PolarHBondContact N-O 2.88Å
264V96.4Very high89Confident0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-139141.2179.859.10000110.3I191 A204 I206 L253 L262 L266 I428 L432I191-V264 HydrophobicContact CG2-CG1 4.38Å; A204-V264 CarbonylContact O-C 3.55Å; A204-V264 WeakPolarHBondContact O-CA 3.41Å; I206-V264 HydrophobicContact CG1-CG2 3.9Å; L253-V264 HydrophobicContact CD1-CG1 3.94Å; L262-V264 HydrophobicContact CB-CG1 4.11Å; L262-V264 PolarHBondContact O-N 3.45Å; V264-L266 HydrophobicContact CG2-CD2 4.18Å; V264-I428 HydrophobicContact CG1-CG2 4.29Å; V264-L432 HydrophobicContact CB-CD2 3.94Å; V264-L432 HydrophobicContact CG2-CD2 4.19Å
265T96.8Very high87.9Confident1 Ų140.6 Ų40.61%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-129.9126.1175.5-73.60000108.8Q203 A204 R205 I206 T250 Y251 S252Q203-T265 PolarHBondContact OE1-OG1 2.89Å; A204-T265 PolarHBondContact O-N 3.3Å; R205-T265 WeakPolarHBondContact CA-O 3.47Å; I206-T265 PolarHBondContact N-O 3.35Å; T250-T265 HydrophobicContact CG2-CG2 3.17Å; Y251-T265 WeakPolarHBondContact O-CA 3.41Å; S252-T265 PolarHBondContact OG-OG1 3.44Å
266L97.7Very high86.6Confident0 Ų046.5 Ų46.50%024%0.237CC..EExtended strand (participates in β ladder)trans-96.4121.3177.3-59.5-173.4000109.5I206 L208 F219 F220 Y251 V264 I428 M431I206-L266 HydrophobicContact CB-CD2 3.86Å; I206-L266 HydrophobicContact CG1-CD2 4.13Å; I206-L266 HydrophobicContact CG2-CD2 4.48Å; L208-L266 HydrophobicContact CD1-CB 4.36Å; F219-L266 HydrophobicContact CD1-CD1 4.4Å; F219-L266 HydrophobicContact CE1-CD1 4.16Å; F220-L266 HydrophobicContact CB-CD1 4.29Å; F220-L266 HydrophobicContact CD2-CB 4.31Å; F220-L266 HydrophobicContact CD2-CD1 4.14Å; Y251-L266 PolarHBondContact N-O 3.24Å; Y251-L266 PolarHBondContact O-N 3.37Å; V264-L266 HydrophobicContact CG2-CD2 4.18Å; L266-I428 HydrophobicContact CD1-CD1 4.09Å; L266-I428 HydrophobicContact CD2-CD1 4.07Å; L266-M431 HydrophobicContact CD2-SD 4.42Å
267C96.8Very high85.2Confident0 Ų052.1 Ų52.10%026%0.263CS..EExtended strand (participates in β ladder)trans-98.3106.5178.5-57.50000108.6R205 I206 L207 L208 F248 R249 I322R205-C267 PolarHBondContact NH2-SG 3.39Å; I206-C267 WeakPolarHBondContact O-CB 3.27Å; I206-C267 PolarHBondContact O-N 3.07Å; L207-C267 HydrophobicContact CD1-CB 3.97Å; L208-C267 PolarHBondContact N-O 3.24Å; F248-C267 HydrophobicContact CE2-CB 3.77Å; F248-C267 HydrophobicContact CZ-CB 3.85Å; R249-C267 CarbonylContact O-C 3.56Å; R249-C267 WeakPolarHBondContact O-CA 3.37Å; C267-I322 HydrophobicContact CB-CD1 4.21Å
268D93.3Very high84.6Confident0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-89.9141.6179.1-166.723.4000110.9K216 S217 R249 Y251K216-D268 VanDerWaalsContact CB-OD1 3.26Å; K216-D268 WeakPolarHBondContact CB-OD1 3.46Å; S217-D268 WeakPolarHBondContact CA-OD2 3.49Å; S217-D268 VanDerWaalsContact CB-OD2 3.3Å; S217-D268 WeakPolarHBondContact CB-OD2 3.41Å; S217-D268 PolarHBondContact OG-OD2 2.99Å; R249-D268 PolarHBondContact N-O 3.46Å; R249-D268 PolarHBondContact O-N 3.22Å; Y251-D268 HydrophobicContact CD2-CB 4.16Å; Y251-D268 HydrophobicContact CE2-CB 3.79Å
269T90.8Very high84.1Confident0 Ų037.1 Ų37.10%021%0.208CC..  trans-123.6162.1-177.373.40000112.1L207 L208 K216 F248 L280 I288L207-T269 HydrophobicContact CD1-CG2 3.42Å; L207-T269 VanDerWaalsContact CD1-CG2 3.42Å; L207-T269 HydrophobicContact CG-CG2 4.35Å; L208-T269 PolarHBondContact O-OG1 3.43Å; L208-T269 VanDerWaalsContact O-OG1 3.14Å; K216-T269 WeakPolarHBondContact CE-O 3.44Å; F248-T269 HydrophobicContact CD2-CG2 4.24Å; F248-T269 HydrophobicContact CE2-CG2 4.48Å; T269-L280 HydrophobicContact CG2-CD2 4.37Å; T269-I288 HydrophobicContact CG2-CD1 4.35Å
270M87.1Confident83.8Confident13 Ų1335.5 Ų35.56%0.06419%0.192CC..PPolyproline II helixtrans-55.1146.9162.7-173.8163.171.300110.9S243 T245 F299S243-M270 WeakPolarHBondContact OG-CG 3.43Å; T245-M270 VanDerWaalsContact O-CA 3.24Å; T245-M270 WeakPolarHBondContact O-CA 3.42Å; T245-M270 VanDerWaalsContact O-CB 3.31Å; T245-M270 WeakPolarHBondContact O-CB 3.25Å; T245-M270 VanDerWaalsContact O-CG 3.25Å; T245-M270 WeakPolarHBondContact O-CG 3.47Å; M270-F299 HydrophobicContact CB-CD2 3.67Å; M270-F299 HydrophobicContact CB-CE2 3.96Å; M270-F299 HydrophobicContact CB-CG 4.47Å; M270-F299 HydrophobicContact CE-CB 3.6Å; M270-F299 HydrophobicContact CE-CD2 4.32Å; M270-F299 HydrophobicContact CE-CG 4.05Å; M270-F299 HydrophobicContact SD-CB 4.22Å; M270-F299 HydrophobicContact SD-CD2 4.49Å
271G86.4Confident83.4Confident0 Ų032.2 Ų32.20%018%0.184CC..PPolyproline II helixtrans-65.9149179.600000113.3G210 S243G210-G271 WeakPolarHBondContact O-CA 3.45Å; S243-G271 PolarHBondContact OG-N 3.39Å
272L87.4Confident83Confident2 Ų229.5 Ų29.51%0.0117%0.169CC..BIsolated β-bridgetrans-75.9134.5169.9-59.4177.1000109.9I209 G210 P211 V212 L280 I285 M341 K344 L345 I348I209-L272 HydrophobicContact CD1-CD2 4.2Å; I209-L272 HydrophobicContact CG1-CD1 4Å; I209-L272 HydrophobicContact CG1-CD2 4.16Å; I209-L272 HydrophobicContact CG1-CG 4.12Å; G210-L272 PolarHBondContact O-N 2.94Å; P211-L272 WeakPolarHBondContact CA-O 3.29Å; V212-L272 PolarHBondContact N-O 3.48Å; L272-L280 HydrophobicContact CD2-CB 4.11Å; L272-L280 HydrophobicContact CD2-CD2 4.48Å; L272-I285 HydrophobicContact CD2-CD1 4.25Å; L272-M341 HydrophobicContact CB-CE 4.12Å; L272-M341 HydrophobicContact CB-SD 3.89Å; L272-M341 HydrophobicContact CD1-SD 4.29Å; L272-K344 HydrophobicContact CD2-CD 4.46Å; L272-L345 HydrophobicContact CD1-CD2 3.72Å; L272-I348 HydrophobicContact CD1-CD1 3.81Å; L272-I348 HydrophobicContact CD2-CD1 4.12Å
273E83.9Confident82.4Confident44 Ų4434 Ų3421%0.20619%0.19CC..  trans-116.7158.1170.8-63.8-178.4-165.200110.1V212 T278 K344V212-E273 HydrophobicContact CG2-CG 3.87Å; E273-T278 WeakPolarHBondContact OE2-CB 3.4Å; E273-T278 PolarHBondContact OE2-OG1 2.9Å; E273-K344 PolarHBondContact O-NZ 2.86Å
274S75.1Confident82Confident44 Ų4433.6 Ų33.631%0.30819%0.188SC..SBendtrans-83.1-18.3-174-59.50000113.4
275S68.3Low81.7Confident54 Ų5433.7 Ų33.738%0.37819%0.188SC..SBendtrans-76.9147169.9190000110D277 T278S275-D277 VanDerWaalsContact C-N 3.34Å; S275-T278 VanDerWaalsContact O-O 3.12Å; S275-T278 PolarHBondContact OG-OG1 2.73Å
276N61.4Low81.4Confident145 Ų14534.3 Ų34.378%0.77519%0.192SC*.SBendtrans-78.4-23176.2-68.7-11.4000112.1
277D57.7Low81.1Confident140 Ų14035.4 Ų35.475%0.74920%0.199SC*.SBendtrans-92.10.8-176.3-51.7-44.7000113.5S275S275-D277 VanDerWaalsContact C-N 3.34Å
278T63Low80.9Confident52 Ų5235.6 Ų35.632%0.31920%0.2SC..SBendtrans-141.4149.4179.966.40000111.6E273 S275E273-T278 WeakPolarHBondContact OE2-CB 3.4Å; E273-T278 PolarHBondContact OE2-OG1 2.9Å; S275-T278 VanDerWaalsContact O-O 3.12Å; S275-T278 PolarHBondContact OG-OG1 2.73Å
279G68.7Low81.1Confident14 Ų1435.7 Ų35.714%0.14420%0.201CC..SBendtrans85.1-173.4-176.900000114
280L76.6Confident81.2Confident0 Ų040 Ų400%022%0.22CC..  trans-71.5128.9-175-174.868.1000111.6I209 T269 L272 D284 I285 I288 F299 K344I209-L280 HydrophobicContact CD1-CD2 4.18Å; T269-L280 HydrophobicContact CG2-CD2 4.37Å; L272-L280 HydrophobicContact CD2-CB 4.11Å; L272-L280 HydrophobicContact CD2-CD2 4.48Å; L280-D284 HydrophobicContact CD1-CB 3.96Å; L280-I285 HydrophobicContact CD2-CD1 3.85Å; L280-I285 HydrophobicContact CD2-CG1 3.45Å; L280-I285 VanDerWaalsContact CD2-CG1 3.45Å; L280-I285 HydrophobicContact CG-CD1 4.06Å; L280-I285 HydrophobicContact CG-CG1 3.75Å; L280-I288 HydrophobicContact CD1-CD1 4.43Å; L280-F299 HydrophobicContact CD1-CD1 3.51Å; L280-F299 HydrophobicContact CD1-CD2 4.44Å; L280-F299 HydrophobicContact CD1-CE1 3.18Å; L280-F299 HydrophobicContact CD1-CE2 4.16Å; L280-F299 HydrophobicContact CD1-CG 4.15Å; L280-F299 HydrophobicContact CD1-CZ 3.53Å; L280-K344 VanDerWaalsContact O-CE 3.22Å; L280-K344 WeakPolarHBondContact O-CE 3.42Å; L280-K344 PolarHBondContact O-NZ 3.42Å
281D81.5Confident81.5Confident58 Ų5839.6 Ų39.631%0.3122%0.218SC..  trans-80.8154.1177.9-174.7-100.9000112.7E283 D284 I285D281-E283 WeakPolarHBondContact OD1-CB 3.2Å; D281-E283 PolarHBondContact OD1-N 3.49Å; D281-D284 HydrophobicContact CB-CB 4.46Å; D281-D284 PolarHBondContact O-N 2.88Å; D281-I285 WeakPolarHBondContact O-CD1 3.37Å; D281-I285 VanDerWaalsContact O-CG1 3.32Å; D281-I285 WeakPolarHBondContact O-CG1 3.43Å; D281-I285 PolarHBondContact O-N 3.35Å; D281-I285 VanDerWaalsContact O-N 3.15Å
282I83.9Confident81.8Confident42 Ų4240.7 Ų40.722%0.21522%0.224CC..Hα-helixtrans-69.8-32-178.3-64.8172000112.2I285 T286 A347 K351I282-I285 PolarHBondContact O-N 3.48Å; I282-T286 PolarHBondContact O-N 2.97Å; I282-T286 PolarHBondContact O-OG1 3.16Å; I282-A347 HydrophobicContact CD1-CB 3.76Å; I282-K351 HydrophobicContact CG2-CG 4.28Å
283E83.4Confident81.8Confident93 Ų9340.9 Ų40.944%0.43522%0.224SC..Hα-helixtrans-75-33.5177.5-63.4-56.3138.100111.5D281 I285 T286 S287 K351D281-E283 WeakPolarHBondContact OD1-CB 3.2Å; D281-E283 PolarHBondContact OD1-N 3.49Å; E283-I285 VanDerWaalsContact C-N 3.33Å; E283-I285 PolarHBondContact O-N 3.49Å; E283-T286 WeakPolarHBondContact O-CB 3.45Å; E283-T286 PolarHBondContact O-N 3.05Å; E283-S287 PolarHBondContact O-N 3.12Å; E283-S287 PolarHBondContact O-OG 3.25Å; E283-K351 IonicContact OE1-NZ 3.93Å; E283-K351 PolarHBondContact OE1-NZ 3.28Å; E283-K351 IonicContact OE2-NZ 2.64Å
284D85.3Confident82Confident4 Ų440.5 Ų40.52%0.02123%0.226CC..Hα-helixtrans-60.8-44.2168.8-71.5-11.8000110.9L280 D281 T286 S287 I288 F299 L305L280-D284 HydrophobicContact CD1-CB 3.96Å; D281-D284 HydrophobicContact CB-CB 4.46Å; D281-D284 PolarHBondContact O-N 2.88Å; D284-T286 VanDerWaalsContact C-N 3.31Å; D284-T286 PolarHBondContact O-N 3.35Å; D284-S287 WeakPolarHBondContact O-CB 3.49Å; D284-S287 PolarHBondContact O-N 3.44Å; D284-S287 VanDerWaalsContact O-N 3.13Å; D284-I288 VanDerWaalsContact O-CG1 3.29Å; D284-I288 WeakPolarHBondContact O-CG1 3.32Å; D284-I288 PolarHBondContact O-N 3.31Å; D284-F299 HydrophobicContact CB-CE1 4.43Å; D284-L305 WeakPolarHBondContact OD1-CB 3.43Å; D284-L305 PolarHBondContact OD1-N 3.21Å
285I90Very high82.5Confident2 Ų241.8 Ų41.81%0.0123%0.229CC..Hα-helixtrans-59.7-44.3175.1-65.9160.4000110.5I209 L272 L280 D281 I282 E283 S287 I288 L289 I348I209-I285 HydrophobicContact CD1-CD1 3.42Å; I209-I285 VanDerWaalsContact CD1-CD1 3.42Å; I209-I285 HydrophobicContact CD1-CG1 3.78Å; I209-I285 HydrophobicContact CD1-CG2 4.23Å; L272-I285 HydrophobicContact CD2-CD1 4.25Å; L280-I285 HydrophobicContact CD2-CD1 3.85Å; L280-I285 HydrophobicContact CD2-CG1 3.45Å; L280-I285 VanDerWaalsContact CD2-CG1 3.45Å; L280-I285 HydrophobicContact CG-CD1 4.06Å; L280-I285 HydrophobicContact CG-CG1 3.75Å; D281-I285 WeakPolarHBondContact O-CD1 3.37Å; D281-I285 VanDerWaalsContact O-CG1 3.32Å; D281-I285 WeakPolarHBondContact O-CG1 3.43Å; D281-I285 PolarHBondContact O-N 3.35Å; D281-I285 VanDerWaalsContact O-N 3.15Å; I282-I285 PolarHBondContact O-N 3.48Å; E283-I285 VanDerWaalsContact C-N 3.33Å; E283-I285 PolarHBondContact O-N 3.49Å; I285-S287 PolarHBondContact O-N 3Å; I285-I288 WeakPolarHBondContact O-CB 3.49Å; I285-I288 PolarHBondContact O-N 3.36Å; I285-I288 VanDerWaalsContact O-N 3.13Å; I285-L289 HydrophobicContact CG2-CD1 4.13Å; I285-L289 HydrophobicContact CG2-CG 4.23Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.47Å; I285-L289 PolarHBondContact O-N 3.46Å; I285-I348 HydrophobicContact CD1-CD1 3.64Å; I285-I348 HydrophobicContact CD1-CG1 3.74Å; I285-I348 HydrophobicContact CG2-CG2 4.18Å
286T90.9Very high83.3Confident14 Ų1441.9 Ų41.99%0.08623%0.229CC..Hα-helixtrans-58.8-40.2177.1-58.20000111.3I282 E283 D284 L289 K290I282-T286 PolarHBondContact O-N 2.97Å; I282-T286 PolarHBondContact O-OG1 3.16Å; E283-T286 WeakPolarHBondContact O-CB 3.45Å; E283-T286 PolarHBondContact O-N 3.05Å; D284-T286 VanDerWaalsContact C-N 3.31Å; D284-T286 PolarHBondContact O-N 3.35Å; T286-L289 PolarHBondContact O-N 3.38Å; T286-K290 HydrophobicContact CG2-CD 4.47Å; T286-K290 WeakPolarHBondContact O-CG 3.09Å; T286-K290 PolarHBondContact O-N 3.38Å
287S91.5Very high84.4Confident22 Ų2236.9 Ų36.915%0.15420%0.2CC..Hα-helixtrans-67.7-38.3176.2-630000112.6E283 D284 I285 K290 G291 H292 L293E283-S287 PolarHBondContact O-N 3.12Å; E283-S287 PolarHBondContact O-OG 3.25Å; D284-S287 WeakPolarHBondContact O-CB 3.49Å; D284-S287 PolarHBondContact O-N 3.44Å; D284-S287 VanDerWaalsContact O-N 3.13Å; I285-S287 PolarHBondContact O-N 3Å; S287-K290 PolarHBondContact O-N 3.16Å; S287-G291 PolarHBondContact O-N 3.03Å; S287-H292 PolarHBondContact O-N 3.2Å; S287-L293 VanDerWaalsContact CB-CD1 3.43Å
288I93.9Very high85.6Confident4 Ų434.6 Ų34.62%0.02119%0.185CC..Hα-helixtrans-62.7-49174.4-67.1163000110.4L207 F248 T269 L280 D284 I285 K290 G291 L293 F299 I322L207-I288 HydrophobicContact CD1-CG2 3.56Å; L207-I288 HydrophobicContact CD2-CG2 3.93Å; L207-I288 HydrophobicContact CG-CG2 4.38Å; F248-I288 HydrophobicContact CD2-CD1 4.24Å; F248-I288 HydrophobicContact CD2-CG1 4.39Å; F248-I288 HydrophobicContact CD2-CG2 4.41Å; F248-I288 HydrophobicContact CE2-CG1 4.4Å; F248-I288 HydrophobicContact CE2-CG2 3.66Å; F248-I288 HydrophobicContact CZ-CG2 4.02Å; T269-I288 HydrophobicContact CG2-CD1 4.35Å; L280-I288 HydrophobicContact CD1-CD1 4.43Å; D284-I288 VanDerWaalsContact O-CG1 3.29Å; D284-I288 WeakPolarHBondContact O-CG1 3.32Å; D284-I288 PolarHBondContact O-N 3.31Å; I285-I288 WeakPolarHBondContact O-CB 3.49Å; I285-I288 PolarHBondContact O-N 3.36Å; I285-I288 VanDerWaalsContact O-N 3.13Å; I288-K290 PolarHBondContact O-N 3.04Å; I288-G291 PolarHBondContact O-N 2.92Å; I288-L293 HydrophobicContact CD1-CD2 4.15Å; I288-L293 HydrophobicContact CG1-CB 4.41Å; I288-L293 HydrophobicContact CG1-CD1 3.85Å; I288-L293 HydrophobicContact CG1-CD2 3.56Å; I288-L293 HydrophobicContact CG1-CG 4.13Å; I288-F299 HydrophobicContact CD1-CE1 4.04Å; I288-F299 HydrophobicContact CD1-CZ 3.9Å; I288-I322 HydrophobicContact CG2-CD1 4.37Å; I288-I322 HydrophobicContact CG2-CG1 4.1Å; I288-I322 WeakPolarHBondContact O-CG1 3.49Å
289L95.7Very high86.3Confident3 Ų332.4 Ų32.42%0.01617%0.171CC..Hα-helixtrans-56.6-39.7-178.7-68.1176.8000111.8L207 I285 T286 G291 I322 V325 L355 I357L207-L289 HydrophobicContact CD2-CD2 3.7Å; L207-L289 HydrophobicContact CD2-CG 4.49Å; I285-L289 HydrophobicContact CG2-CD1 4.13Å; I285-L289 HydrophobicContact CG2-CG 4.23Å; I285-L289 VanDerWaalsContact O-CG 3.26Å; I285-L289 WeakPolarHBondContact O-CG 3.47Å; I285-L289 PolarHBondContact O-N 3.46Å; T286-L289 PolarHBondContact O-N 3.38Å; L289-G291 VanDerWaalsContact C-N 3.28Å; L289-G291 PolarHBondContact O-N 2.91Å; L289-I322 HydrophobicContact CD2-CB 4.06Å; L289-I322 HydrophobicContact CD2-CG1 4.33Å; L289-I322 HydrophobicContact CD2-CG2 4.03Å; L289-I322 PolarHBondContact O-N 3.44Å; L289-I322 VanDerWaalsContact O-N 3.09Å; L289-V325 HydrophobicContact CD2-CG2 3.35Å; L289-L355 HydrophobicContact CB-CD1 3.75Å; L289-L355 HydrophobicContact CD1-CD1 3.92Å; L289-L355 HydrophobicContact CG-CD1 4.49Å; L289-I357 HydrophobicContact CB-CD1 3.88Å; L289-I357 HydrophobicContact CD1-CD1 4.44Å; L289-I357 HydrophobicContact CD2-CD1 3.95Å; L289-I357 HydrophobicContact CG-CD1 4.29Å
290K94.4Very high86.4Confident91 Ų9135.6 Ų35.640%0.39619%0.185SC..THydrogen-bonded Turntrans-77.7-7.3177.8-69.6176.3179.6179.10114.2T286 S287 I288 H292 P316 K321 L355T286-K290 HydrophobicContact CG2-CD 4.47Å; T286-K290 WeakPolarHBondContact O-CG 3.09Å; T286-K290 PolarHBondContact O-N 3.38Å; S287-K290 PolarHBondContact O-N 3.16Å; I288-K290 PolarHBondContact O-N 3.04Å; K290-H292 WeakPolarHBondContact CB-CD2 3.28Å; K290-H292 WeakPolarHBondContact CB-NE2 3.32Å; K290-P316 WeakPolarHBondContact O-CB 3.4Å; K290-P316 WeakPolarHBondContact O-CG 3.17Å; K290-K321 WeakPolarHBondContact O-CG 3.48Å; K290-L355 HydrophobicContact CG-CD1 4.45Å
291G93.5Very high85.9Confident3 Ų339.7 Ų39.73%0.03121%0.211CC..THydrogen-bonded Turntrans84.418.1176.400000115.2S287 I288 L289 R313 P316 D320S287-G291 PolarHBondContact O-N 3.03Å; I288-G291 PolarHBondContact O-N 2.92Å; L289-G291 VanDerWaalsContact C-N 3.28Å; L289-G291 PolarHBondContact O-N 2.91Å; G291-R313 PolarHBondContact O-NH1 2.82Å; G291-P316 WeakPolarHBondContact O-CB 3.35Å; G291-D320 WeakPolarHBondContact CA-O 3.44Å
292H91.9Very high85.2Confident24 Ų2441.3 Ų41.311%0.11123%0.233CC..  trans-78-22-176.4-66.3-67.1000114S287 K290 Y312 R313 P316S287-H292 PolarHBondContact O-N 3.2Å; K290-H292 WeakPolarHBondContact CB-CD2 3.28Å; K290-H292 WeakPolarHBondContact CB-NE2 3.32Å; H292-Y312 HydrophobicContact CB-CD2 4.12Å; H292-Y312 HydrophobicContact CB-CE1 4.39Å; H292-Y312 HydrophobicContact CB-CE2 3.45Å; H292-Y312 VanDerWaalsContact CB-CE2 3.45Å; H292-Y312 PolarHBondContact CD2-OH 2.98Å; H292-Y312 AromaticContact CG-CE2 3.99Å; H292-Y312 AromaticContact CG-CZ 3.61Å; H292-Y312 VanDerWaalsContact CG-OH 3.27Å; H292-Y312 AromaticContact ND1-CE1 3.92Å; H292-Y312 AromaticContact ND1-CZ 3.66Å; H292-Y312 PolarHBondContact ND1-OH 3Å; H292-R313 PolarHBondContact ND1-O 3.21Å; H292-R313 WeakPolarHBondContact O-CB 3.5Å; H292-R313 PolarHBondContact O-N 3.4Å; H292-P316 VanDerWaalsContact CE1-CD 3.42Å; H292-P316 WeakPolarHBondContact CE1-CD 3.46Å; H292-P316 WeakPolarHBondContact ND1-CD 3.45Å
293L88.2Confident84.4Confident5 Ų541.5 Ų41.53%0.02624%0.24CC..PPolyproline II helixtrans-87129.7-177.5-79.773.8000111.6F248 S287 I288 Y297 F299 L305F248-L293 HydrophobicContact CB-CD2 4.42Å; F248-L293 HydrophobicContact CD1-CB 4.09Å; F248-L293 HydrophobicContact CE1-CB 4.32Å; S287-L293 VanDerWaalsContact CB-CD1 3.43Å; I288-L293 HydrophobicContact CD1-CD2 4.15Å; I288-L293 HydrophobicContact CG1-CB 4.41Å; I288-L293 HydrophobicContact CG1-CD1 3.85Å; I288-L293 HydrophobicContact CG1-CD2 3.56Å; I288-L293 HydrophobicContact CG1-CG 4.13Å; L293-Y297 HydrophobicContact CD2-CD1 3.59Å; L293-Y297 HydrophobicContact CD2-CE1 4.15Å; L293-Y297 HydrophobicContact CD2-CG 3.98Å; L293-Y297 HydrophobicContact CG-CD1 4.36Å; L293-Y297 HydrophobicContact CG-CG 4.34Å; L293-F299 HydrophobicContact CD2-CE1 3.95Å; L293-F299 HydrophobicContact CD2-CZ 4.39Å; L293-L305 HydrophobicContact CD1-CD1 3.76Å; L293-L305 HydrophobicContact CD1-CD2 3.89Å; L293-L305 HydrophobicContact CD1-CG 4.49Å; L293-L305 HydrophobicContact CD2-CD1 3.61Å; L293-L305 HydrophobicContact CG-CD1 3.63Å; L293-L305 HydrophobicContact CG-CD2 4.25Å
294P86.6Confident83.8Confident36 Ų3640.8 Ų40.823%0.23424%0.244CC..PPolyproline II helixtrans-74.116217034.8-37.1000111F248 Y297 G311F248-P294 WeakPolarHBondContact CD1-O 3.43Å; P294-Y297 WeakPolarHBondContact O-CB 3.36Å; P294-Y297 PolarHBondContact O-N 3.42Å; P294-G311 WeakPolarHBondContact CD-O 3.34Å; P294-G311 VanDerWaalsContact CG-O 3.27Å; P294-G311 WeakPolarHBondContact CG-O 3.22Å
295D87.3Confident83.2Confident71 Ų7141.5 Ų41.538%0.3825%0.247SC..THydrogen-bonded Turntrans-60.1150.2169.2-174.241.3000111.2R249 T250 Y297R249-D295 WeakPolarHBondContact CA-OD1 3.12Å; T250-D295 PolarHBondContact N-OD1 3.41Å; D295-Y297 PolarHBondContact O-N 2.8Å
296C84.6Confident82.4Confident57 Ų5745.8 Ų45.839%0.38527%0.271SS..THydrogen-bonded Turntrans65.215.9-176.1-49.40000115.2F248 R249 Q298F248-C296 WeakPolarHBondContact O-CA 3.48Å; F248-C296 PolarHBondContact O-N 3.37Å; R249-C296 PolarHBondContact NH1-SG 2.98Å; C296-Q298 PolarHBondContact O-N 3.46Å
297Y83.4Confident81.7Confident39 Ų3948.3 Ų48.315%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-62.4126.1176.2-179.9-91.7000111.1Q247 F248 L293 P294 D295 F299 L305Q247-Y297 CarbonylContact C-O 3.3Å; Q247-Y297 WeakPolarHBondContact CA-O 3.44Å; F248-Y297 PolarHBondContact N-O 2.58Å; L293-Y297 HydrophobicContact CD2-CD1 3.59Å; L293-Y297 HydrophobicContact CD2-CE1 4.15Å; L293-Y297 HydrophobicContact CD2-CG 3.98Å; L293-Y297 HydrophobicContact CG-CD1 4.36Å; L293-Y297 HydrophobicContact CG-CG 4.34Å; P294-Y297 WeakPolarHBondContact O-CB 3.36Å; P294-Y297 PolarHBondContact O-N 3.42Å; D295-Y297 PolarHBondContact O-N 2.8Å; Y297-F299 HydrophobicContact CD1-CD1 4.21Å; Y297-F299 HydrophobicContact CD1-CE1 4.31Å; Y297-F299 HydrophobicContact CE1-CD1 4.13Å; Y297-L305 HydrophobicContact CD1-CD1 3.94Å; Y297-L305 HydrophobicContact CD2-CD1 4.45Å; Y297-L305 HydrophobicContact CE1-CD1 3.22Å; Y297-L305 HydrophobicContact CE1-CG 4.32Å; Y297-L305 HydrophobicContact CE2-CD1 3.82Å; Y297-L305 HydrophobicContact CE2-CG 4.25Å; Y297-L305 VanDerWaalsContact OH-CD1 3.25Å; Y297-L305 WeakPolarHBondContact OH-CD1 3.32Å; Y297-L305 WeakPolarHBondContact OH-CG 3.39Å
298Q83.6Confident81Confident92 Ų9253.8 Ų53.843%0.4331%0.31SS..EExtended strand (participates in β ladder)trans-85.5119178.1-175.168.24800109.9T246 Q247 C296T246-Q298 VanDerWaalsContact CB-NE2 3.32Å; T246-Q298 PolarHBondContact O-NE2 3Å; T246-Q298 PolarHBondContact OG1-NE2 3.16Å; T246-Q298 VanDerWaalsContact OG1-NE2 3.15Å; Q247-Q298 HydrophobicContact CG-CB 4.44Å; C296-Q298 PolarHBondContact O-N 3.46Å
299F77Confident80Confident7 Ų755 Ų553%0.03132%0.321CS..PPolyproline II helixtrans-68.2137.7177-67.9-70.7000110.9T246 F248 M270 L280 D284 I288 L293 Y297T246-F299 WeakPolarHBondContact O-CD2 3.1Å; T246-F299 PolarHBondContact O-N 2.93Å; T246-F299 VanDerWaalsContact O-N 3.17Å; F248-F299 HydrophobicContact CB-CE2 3.86Å; F248-F299 HydrophobicContact CB-CZ 3.7Å; F248-F299 HydrophobicContact CD2-CZ 4.48Å; F248-F299 VanDerWaalsContact N-CE2 3.31Å; M270-F299 HydrophobicContact CB-CD2 3.67Å; M270-F299 HydrophobicContact CB-CE2 3.96Å; M270-F299 HydrophobicContact CB-CG 4.47Å; M270-F299 HydrophobicContact CE-CB 3.6Å; M270-F299 HydrophobicContact CE-CD2 4.32Å; M270-F299 HydrophobicContact CE-CG 4.05Å; M270-F299 HydrophobicContact SD-CB 4.22Å; M270-F299 HydrophobicContact SD-CD2 4.49Å; L280-F299 HydrophobicContact CD1-CD1 3.51Å; L280-F299 HydrophobicContact CD1-CD2 4.44Å; L280-F299 HydrophobicContact CD1-CE1 3.18Å; L280-F299 HydrophobicContact CD1-CE2 4.16Å; L280-F299 HydrophobicContact CD1-CG 4.15Å; L280-F299 HydrophobicContact CD1-CZ 3.53Å; D284-F299 HydrophobicContact CB-CE1 4.43Å; I288-F299 HydrophobicContact CD1-CE1 4.04Å; I288-F299 HydrophobicContact CD1-CZ 3.9Å; L293-F299 HydrophobicContact CD2-CE1 3.95Å; L293-F299 HydrophobicContact CD2-CZ 4.39Å; Y297-F299 HydrophobicContact CD1-CD1 4.21Å; Y297-F299 HydrophobicContact CD1-CE1 4.31Å; Y297-F299 HydrophobicContact CE1-CD1 4.13Å
300N71.8Confident78.7Confident81 Ų8161 Ų6143%0.43336%0.363SS..  trans-99.7112.4172.2-175.6-2.6000109.3A302 A303N300-A302 PolarHBondContact O-N 2.85Å; N300-A302 WeakPolarHBondContact OD1-CB 3.42Å; N300-A302 PolarHBondContact OD1-N 3Å; N300-A303 VanDerWaalsContact O-O 3.08Å
301P66.5Low77.8Confident85 Ų8558.9 Ų58.955%0.55237%0.367SS*.THydrogen-bonded Turntrans-64.4-21178.4-19.631.9000113.8
302A65.8Low77.4Confident93 Ų9360.9 Ų60.977%0.76937%0.374SS*.THydrogen-bonded Turntrans-92.7-16.1-17200000114.3N300N300-A302 PolarHBondContact O-N 2.85Å; N300-A302 WeakPolarHBondContact OD1-CB 3.42Å; N300-A302 PolarHBondContact OD1-N 3Å
303A68.1Low77.1Confident45 Ų4563.9 Ų63.937%0.37238%0.384SS..SBendtrans-156.7143.4-178.400000111.5N300N300-A303 VanDerWaalsContact O-O 3.08Å
304P70.1Confident77.1Confident78 Ų7869.6 Ų69.651%0.50641%0.409SS..PPolyproline II helixtrans-59.5165.1170.5-19.530.9000112.5D306P304-D306 PolarHBondContact O-N 3.22Å
305L73.3Confident77.2Confident19 Ų1973.1 Ų73.110%0.09943%0.434CS..PPolyproline II helixtrans-53.9124.7176.6-138.7110.9000113.2D284 L293 Y297 P307 Y312D284-L305 WeakPolarHBondContact OD1-CB 3.43Å; D284-L305 PolarHBondContact OD1-N 3.21Å; L293-L305 HydrophobicContact CD1-CD1 3.76Å; L293-L305 HydrophobicContact CD1-CD2 3.89Å; L293-L305 HydrophobicContact CD1-CG 4.49Å; L293-L305 HydrophobicContact CD2-CD1 3.61Å; L293-L305 HydrophobicContact CG-CD1 3.63Å; L293-L305 HydrophobicContact CG-CD2 4.25Å; Y297-L305 HydrophobicContact CD1-CD1 3.94Å; Y297-L305 HydrophobicContact CD2-CD1 4.45Å; Y297-L305 HydrophobicContact CE1-CD1 3.22Å; Y297-L305 HydrophobicContact CE1-CG 4.32Å; Y297-L305 HydrophobicContact CE2-CD1 3.82Å; Y297-L305 HydrophobicContact CE2-CG 4.25Å; Y297-L305 VanDerWaalsContact OH-CD1 3.25Å; Y297-L305 WeakPolarHBondContact OH-CD1 3.32Å; Y297-L305 WeakPolarHBondContact OH-CG 3.39Å; L305-P307 WeakPolarHBondContact O-CD 3.03Å; L305-Y312 HydrophobicContact CD2-CD2 3.24Å; L305-Y312 HydrophobicContact CD2-CE2 3.36Å
306D72.7Confident77.5Confident93 Ų9370.9 Ų70.950%0.49742%0.424SS..PPolyproline II helixtrans-83.5122.2170.7-174.9-11.7000110P304 E308 A309P304-D306 PolarHBondContact O-N 3.22Å; D306-E308 PolarHBondContact O-N 2.86Å; D306-E308 VanDerWaalsContact O-N 3.14Å; D306-E308 PolarHBondContact OD1-N 2.98Å; D306-A309 HydrophobicContact CB-CB 4.22Å; D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.24Å
307P76.5Confident77.9Confident67 Ų6770.5 Ų70.544%0.43542%0.422SS..THydrogen-bonded Turntrans-58.8-18.5174.6-24.334.9000114.9L305 Y312L305-P307 WeakPolarHBondContact O-CD 3.03Å; P307-Y312 HydrophobicContact CB-CD1 4.37Å; P307-Y312 HydrophobicContact CB-CE1 4.05Å; P307-Y312 WeakPolarHBondContact O-CD1 3.16Å
308E76Confident78.3Confident137 Ų13769.5 Ų69.564%0.6442%0.419SS*.THydrogen-bonded Turntrans-95.12.7174.4-62-56.7138.100112.9D306 K314D306-E308 PolarHBondContact O-N 2.86Å; D306-E308 VanDerWaalsContact O-N 3.14Å; D306-E308 PolarHBondContact OD1-N 2.98Å; E308-K314 IonicContact OE1-NZ 3.95Å; E308-K314 PolarHBondContact OE1-NZ 3.13Å; E308-K314 IonicContact OE2-NZ 3.85Å; E308-K314 PolarHBondContact OE2-NZ 2.98Å
309A72.6Confident78.7Confident30 Ų3070.7 Ų70.725%0.24842%0.423CS..SBendtrans-62.6142.4174.200000112D306 G311 Y312D306-A309 HydrophobicContact CB-CB 4.22Å; D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.24Å; A309-G311 PolarHBondContact O-N 3.49Å; A309-Y312 VanDerWaalsContact O-CB 3.3Å; A309-Y312 WeakPolarHBondContact O-CB 3.36Å; A309-Y312 PolarHBondContact O-N 2.91Å
310S69.4Low79.5Confident127 Ų12771.3 Ų71.389%0.88843%0.426SS*.THydrogen-bonded Turntrans-57.2125.9175.4-174.50000111
311G75.5Confident80.7Confident47 Ų4770.9 Ų70.949%0.48542%0.421SS..THydrogen-bonded Turntrans91.6-6.5-177.900000115.3P294 A309 R313P294-G311 WeakPolarHBondContact CD-O 3.34Å; P294-G311 VanDerWaalsContact CG-O 3.27Å; P294-G311 WeakPolarHBondContact CG-O 3.22Å; A309-G311 PolarHBondContact O-N 3.49Å; G311-R313 PolarHBondContact O-N 2.79Å
312Y84Confident82.1Confident46 Ų4666.9 Ų66.918%0.1840%0.395CS..  trans-61126.7173.5-174.5-98.4000111.4H292 L305 P307 A309 K314H292-Y312 HydrophobicContact CB-CD2 4.12Å; H292-Y312 HydrophobicContact CB-CE1 4.39Å; H292-Y312 HydrophobicContact CB-CE2 3.45Å; H292-Y312 VanDerWaalsContact CB-CE2 3.45Å; H292-Y312 PolarHBondContact CD2-OH 2.98Å; H292-Y312 AromaticContact CG-CE2 3.99Å; H292-Y312 AromaticContact CG-CZ 3.61Å; H292-Y312 VanDerWaalsContact CG-OH 3.27Å; H292-Y312 AromaticContact ND1-CE1 3.92Å; H292-Y312 AromaticContact ND1-CZ 3.66Å; H292-Y312 PolarHBondContact ND1-OH 3Å; L305-Y312 HydrophobicContact CD2-CD2 3.24Å; L305-Y312 HydrophobicContact CD2-CE2 3.36Å; P307-Y312 HydrophobicContact CB-CD1 4.37Å; P307-Y312 HydrophobicContact CB-CE1 4.05Å; P307-Y312 WeakPolarHBondContact O-CD1 3.16Å; A309-Y312 VanDerWaalsContact O-CB 3.3Å; A309-Y312 WeakPolarHBondContact O-CB 3.36Å; A309-Y312 PolarHBondContact O-N 2.91Å; Y312-K314 HydrophobicContact CD1-CG 4Å; Y312-K314 HydrophobicContact CE1-CG 4.48Å; Y312-K314 PolarHBondContact O-N 3.5Å
313R87Confident83.7Confident87 Ų8762.4 Ų62.433%0.32836%0.358SS..  trans-8599177.1-173.3178.5-66.8156.8-18.7109.8G291 H292 G311 S315 P316 D320G291-R313 PolarHBondContact O-NH1 2.82Å; H292-R313 PolarHBondContact ND1-O 3.21Å; H292-R313 WeakPolarHBondContact O-CB 3.5Å; H292-R313 PolarHBondContact O-N 3.4Å; G311-R313 PolarHBondContact O-N 2.79Å; R313-S315 VanDerWaalsContact C-N 3.32Å; R313-S315 PolarHBondContact O-N 3.3Å; R313-P316 HydrophobicContact CG-CB 4.32Å; R313-D320 IonicContact CZ-OD1 2.79Å; R313-D320 IonicContact CZ-OD2 2.61Å; R313-D320 IonicContact NE-OD1 3.27Å; R313-D320 IonicContact NH1-OD1 3.01Å; R313-D320 PolarHBondContact NH1-OD1 3.24Å; R313-D320 IonicContact NH1-OD2 3.38Å; R313-D320 IonicContact NH2-OD1 2.68Å; R313-D320 PolarHBondContact NH2-OD1 2.75Å
314K87.6Confident85.1Confident124 Ų12460.3 Ų60.354%0.53934%0.34SS..SBendtrans-59.4-37.3-178.4-63.9-166.2-179.3-153.70113.6E308 Y312E308-K314 IonicContact OE1-NZ 3.95Å; E308-K314 PolarHBondContact OE1-NZ 3.13Å; E308-K314 IonicContact OE2-NZ 3.85Å; E308-K314 PolarHBondContact OE2-NZ 2.98Å; Y312-K314 HydrophobicContact CD1-CG 4Å; Y312-K314 HydrophobicContact CE1-CG 4.48Å; Y312-K314 PolarHBondContact O-N 3.5Å
315S89.1Confident86.4Confident110 Ų11056.6 Ų56.677%0.76932%0.316SS*.SBendtrans-133.182.2-177.1-55.50000111.5R313R313-S315 VanDerWaalsContact C-N 3.32Å; R313-S315 PolarHBondContact O-N 3.3Å
316P92.4Very high87.6Confident24 Ų2455.7 Ų55.716%0.15631%0.311CS..  trans-70.4136.6179.727.4-32.2000111.9K290 G291 H292 R313 D320K290-P316 WeakPolarHBondContact O-CB 3.4Å; K290-P316 WeakPolarHBondContact O-CG 3.17Å; G291-P316 WeakPolarHBondContact O-CB 3.35Å; H292-P316 VanDerWaalsContact CE1-CD 3.42Å; H292-P316 WeakPolarHBondContact CE1-CD 3.46Å; H292-P316 WeakPolarHBondContact ND1-CD 3.45Å; R313-P316 HydrophobicContact CG-CB 4.32Å; P316-D320 HydrophobicContact CB-CB 3.89Å
317S92.7Very high88.9Confident49 Ų4951.2 Ų51.234%0.34329%0.288SS..  trans-83.4172.8173.1670000111.2K319 D320S317-K319 VanDerWaalsContact C-N 3.3Å; S317-K319 PolarHBondContact O-N 2.97Å; S317-K319 WeakPolarHBondContact OG-CE 3.33Å; S317-K319 WeakPolarHBondContact OG-CG 3.46Å; S317-D320 WeakPolarHBondContact CB-OD2 3.13Å; S317-D320 PolarHBondContact N-OD2 3.39Å; S317-D320 VanDerWaalsContact O-CB 3.29Å; S317-D320 WeakPolarHBondContact O-CB 3.21Å; S317-D320 PolarHBondContact O-N 2.65Å; S317-D320 PolarHBondContact OG-OD2 3.07Å
318L92.4Very high89.9Confident19 Ų1948 Ų4810%0.09927%0.267CS..G310 helixtrans-58.1-42.3-177.9-17164.3000112.4I198 V201 D320 K321 H323 F438 F442I198-L318 HydrophobicContact CB-CD2 4.46Å; I198-L318 HydrophobicContact CD1-CD2 3.66Å; I198-L318 HydrophobicContact CG2-CD2 3.97Å; V201-L318 HydrophobicContact CG2-CB 4.23Å; V201-L318 HydrophobicContact CG2-CD2 3.81Å; V201-L318 HydrophobicContact CG2-CG 3.83Å; L318-D320 PolarHBondContact O-N 3.44Å; L318-K321 HydrophobicContact CD1-CD 4.32Å; L318-K321 PolarHBondContact O-N 2.73Å; L318-K321 VanDerWaalsContact O-N 3.1Å; L318-H323 PolarHBondContact O-NE2 3.31Å; L318-F438 HydrophobicContact CD1-CE1 3.87Å; L318-F438 HydrophobicContact CD1-CZ 4.24Å; L318-F442 HydrophobicContact CD1-CD1 4.48Å; L318-F442 HydrophobicContact CD1-CD2 4.1Å; L318-F442 HydrophobicContact CD1-CE1 4.33Å; L318-F442 HydrophobicContact CD1-CE2 3.99Å; L318-F442 HydrophobicContact CD1-CG 4.35Å; L318-F442 HydrophobicContact CD1-CZ 4.1Å; L318-F442 HydrophobicContact CD2-CD1 3.9Å; L318-F442 HydrophobicContact CD2-CE1 3.61Å; L318-F442 HydrophobicContact CD2-CZ 4.07Å
319K92.9Very high90.9Very high116 Ų11641.6 Ų41.650%0.50424%0.237SC..G310 helixtrans-60.5-17.3176.462.5168.7-175.3-174.20114.2V201 R205 S317V201-K319 HydrophobicContact CG2-CB 4.45Å; R205-K319 WeakPolarHBondContact CD-O 3.26Å; S317-K319 VanDerWaalsContact C-N 3.3Å; S317-K319 PolarHBondContact O-N 2.97Å; S317-K319 WeakPolarHBondContact OG-CE 3.33Å; S317-K319 WeakPolarHBondContact OG-CG 3.46Å
320D93.5Very high92Very high21 Ų2140.5 Ų40.511%0.11223%0.227CC..G310 helixtrans-89.6-22.4-178.9-62.8-50.4000112.5R205 G291 R313 P316 S317 L318R205-D320 PolarHBondContact NE-O 3.31Å; G291-D320 WeakPolarHBondContact CA-O 3.44Å; R313-D320 IonicContact CZ-OD1 2.79Å; R313-D320 IonicContact CZ-OD2 2.61Å; R313-D320 IonicContact NE-OD1 3.27Å; R313-D320 IonicContact NH1-OD1 3.01Å; R313-D320 PolarHBondContact NH1-OD1 3.24Å; R313-D320 IonicContact NH1-OD2 3.38Å; R313-D320 IonicContact NH2-OD1 2.68Å; R313-D320 PolarHBondContact NH2-OD1 2.75Å; P316-D320 HydrophobicContact CB-CB 3.89Å; S317-D320 WeakPolarHBondContact CB-OD2 3.13Å; S317-D320 PolarHBondContact N-OD2 3.39Å; S317-D320 VanDerWaalsContact O-CB 3.29Å; S317-D320 WeakPolarHBondContact O-CB 3.21Å; S317-D320 PolarHBondContact O-N 2.65Å; S317-D320 PolarHBondContact OG-OD2 3.07Å; L318-D320 PolarHBondContact O-N 3.44Å
321K95.9Very high93.1Very high71 Ų7134.4 Ų34.431%0.30918%0.184SC..SBendtrans-74159.8-177.7-65-177.5180-179.10111.7R205 K290 L318 H323R205-K321 WeakPolarHBondContact CB-O 3.48Å; R205-K321 WeakPolarHBondContact CD-O 3.34Å; K290-K321 WeakPolarHBondContact O-CG 3.48Å; L318-K321 HydrophobicContact CD1-CD 4.32Å; L318-K321 PolarHBondContact O-N 2.73Å; L318-K321 VanDerWaalsContact O-N 3.1Å; K321-H323 PolarHBondContact O-CE1 3.44Å; K321-H323 PolarHBondContact O-ND1 2.87Å; K321-H323 VanDerWaalsContact O-ND1 3.16Å
322I97.6Very high93.6Very high1 Ų134.7 Ų34.71%0.00518%0.178CC..  trans-80.8131.9169-61.9-56000109R205 L207 C267 I288 L289 C324 V325 I357R205-I322 HydrophobicContact CB-CD1 4.16Å; L207-I322 HydrophobicContact CB-CB 4.48Å; L207-I322 HydrophobicContact CB-CD1 4.03Å; L207-I322 HydrophobicContact CB-CG1 4.07Å; L207-I322 HydrophobicContact CB-CG2 3.6Å; L207-I322 HydrophobicContact CD1-CD1 4.48Å; C267-I322 HydrophobicContact CB-CD1 4.21Å; I288-I322 HydrophobicContact CG2-CD1 4.37Å; I288-I322 HydrophobicContact CG2-CG1 4.1Å; I288-I322 WeakPolarHBondContact O-CG1 3.49Å; L289-I322 HydrophobicContact CD2-CB 4.06Å; L289-I322 HydrophobicContact CD2-CG1 4.33Å; L289-I322 HydrophobicContact CD2-CG2 4.03Å; L289-I322 PolarHBondContact O-N 3.44Å; L289-I322 VanDerWaalsContact O-N 3.09Å; I322-C324 WeakPolarHBondContact CG2-O 3.24Å; I322-V325 HydrophobicContact CG2-CG2 4.26Å; I322-I357 HydrophobicContact CG2-CG2 4.44Å
323H97.8Very high93.6Very high0 Ų036.1 Ų36.10%019%0.189CC..SBendtrans-101.9-19-176.6-53.993.2000112.2R205 L318 K321 P358 A435 F438 Y439R205-H323 PolarHBondContact N-ND1 3.11Å; R205-H323 PolarHBondContact O-N 2.74Å; L318-H323 PolarHBondContact O-NE2 3.31Å; K321-H323 PolarHBondContact O-CE1 3.44Å; K321-H323 PolarHBondContact O-ND1 2.87Å; K321-H323 VanDerWaalsContact O-ND1 3.16Å; H323-P358 WeakPolarHBondContact O-CD 3.25Å; H323-P358 WeakPolarHBondContact O-CG 3.17Å; H323-A435 HydrophobicContact CB-CB 4Å; H323-F438 HydrophobicContact CB-CD1 4.2Å; H323-F438 AromaticContact CD2-CD1 3.61Å; H323-F438 AromaticContact CD2-CE1 3.51Å; H323-F438 WeakPolarHBondContact O-CB 3.33Å; H323-Y439 AromaticContact CD2-CE1 3.14Å; H323-Y439 WeakPolarHBondContact CD2-CE1 3.19Å; H323-Y439 AromaticContact CD2-CZ 3.49Å; H323-Y439 VanDerWaalsContact CD2-CZ 3.49Å; H323-Y439 PolarHBondContact CD2-OH 3.22Å; H323-Y439 AromaticContact CG-CZ 3.91Å; H323-Y439 VanDerWaalsContact CG-OH 3.29Å; H323-Y439 AromaticContact NE2-CE1 3.57Å; H323-Y439 AromaticContact NE2-CZ 3.96Å; H323-Y439 PolarHBondContact NE2-OH 2.78Å
324C97.9Very high93.6Very high0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-153.5139.5172.41770000110.2I206 L207 I322 P358I206-C324 WeakPolarHBondContact CA-O 3.34Å; I206-C324 HydrophobicContact CD1-CB 3.72Å; I206-C324 HydrophobicContact CG2-CB 4.35Å; L207-C324 PolarHBondContact N-O 3.36Å; I322-C324 WeakPolarHBondContact CG2-O 3.24Å; C324-P358 WeakPolarHBondContact CA-O 3.41Å; C324-P358 PolarHBondContact SG-O 3.5Å
325V98.4Very high93.2Very high0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-99.7124.3171.7-179.80000109.4I209 L289 I322 Y327 A352 I357 P358 Q359 L360I209-V325 HydrophobicContact CG2-CG1 3.91Å; L289-V325 HydrophobicContact CD2-CG2 3.35Å; I322-V325 HydrophobicContact CG2-CG2 4.26Å; V325-Y327 HydrophobicContact CG1-CE2 4.26Å; V325-A352 HydrophobicContact CG2-CB 4.21Å; V325-I357 HydrophobicContact CG2-CG2 3.88Å; V325-P358 PolarHBondContact N-O 3.2Å; V325-Q359 HydrophobicContact CB-CG 4.29Å; V325-Q359 CarbonylContact O-C 3.57Å; V325-Q359 VanDerWaalsContact O-CA 3.27Å; V325-Q359 WeakPolarHBondContact O-CA 3.31Å; V325-L360 PolarHBondContact O-N 2.74Å
326T98.5Very high92.7Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-111.8115.9175.1-63.50000110.4I206 L207 L208 I209 V328 L360 V362 M431I206-T326 WeakPolarHBondContact CG2-OG1 3.42Å; L207-T326 PolarHBondContact O-N 3.2Å; L208-T326 HydrophobicContact CD2-CG2 4.11Å; I209-T326 PolarHBondContact N-O 3.41Å; T326-V328 HydrophobicContact CG2-CG2 4.43Å; T326-L360 CarbonylContact C-O 3.5Å; T326-L360 WeakPolarHBondContact CA-O 3.43Å; T326-L360 HydrophobicContact CG2-CD2 4.42Å; T326-V362 HydrophobicContact CG2-CB 4.01Å; T326-V362 HydrophobicContact CG2-CG2 3.54Å; T326-M431 HydrophobicContact CG2-CE 3.63Å
327Y98.4Very high92.3Very high0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-78.8117.2169.9-62.4-80000110.2I209 V325 L345 I348 R349 Q359 L360 V361 V362 V397I209-Y327 HydrophobicContact CG2-CD1 3.59Å; I209-Y327 HydrophobicContact CG2-CE1 3.85Å; I209-Y327 HydrophobicContact CG2-CG 4.32Å; I209-Y327 CarbonylContact O-C 3.56Å; I209-Y327 VanDerWaalsContact O-CA 3.28Å; I209-Y327 WeakPolarHBondContact O-CA 3.25Å; V325-Y327 HydrophobicContact CG1-CE2 4.26Å; Y327-L345 HydrophobicContact CD1-CD2 3.72Å; Y327-L345 HydrophobicContact CE1-CD2 3.99Å; Y327-I348 HydrophobicContact CE1-CB 4.36Å; Y327-I348 HydrophobicContact CE1-CG2 3.97Å; Y327-I348 WeakPolarHBondContact OH-CG2 3.38Å; Y327-R349 WeakPolarHBondContact OH-CA 3.45Å; Y327-R349 WeakPolarHBondContact OH-CB 3.31Å; Y327-R349 PolarHBondContact OH-N 3.48Å; Y327-Q359 HydrophobicContact CE2-CB 4.19Å; Y327-Q359 HydrophobicContact CE2-CG 4.4Å; Y327-Q359 VanDerWaalsContact CE2-OE1 3.32Å; Y327-Q359 PolarHBondContact OH-OE1 3.06Å; Y327-L360 WeakPolarHBondContact CD2-O 3.46Å; Y327-L360 PolarHBondContact N-O 2.73Å; Y327-V361 HydrophobicContact CD2-CG2 4.25Å; Y327-V361 HydrophobicContact CG-CG2 4.38Å; Y327-V361 CarbonylContact O-C 3.57Å; Y327-V361 VanDerWaalsContact O-CA 3.24Å; Y327-V361 WeakPolarHBondContact O-CA 3.2Å; Y327-V362 PolarHBondContact O-N 3.27Å; Y327-V397 HydrophobicContact CD1-CG1 4.45Å; Y327-V397 HydrophobicContact CD2-CG1 3.78Å; Y327-V397 HydrophobicContact CE2-CG1 3.88Å; Y327-V397 HydrophobicContact CG-CG1 4.08Å
328V98.4Very high92Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-95.5117.8174.4-171.60000108.4L208 I209 V214 K216 T326 V362 T364L208-V328 HydrophobicContact CB-CG2 4.23Å; L208-V328 HydrophobicContact CD2-CG2 4.27Å; I209-V328 PolarHBondContact O-N 3.27Å; V214-V328 HydrophobicContact CG2-CB 4.12Å; V214-V328 HydrophobicContact CG2-CG1 3.97Å; V214-V328 VanDerWaalsContact CG2-O 3.23Å; V214-V328 WeakPolarHBondContact CG2-O 3.48Å; K216-V328 HydrophobicContact CG-CB 3.79Å; K216-V328 HydrophobicContact CG-CG1 4.23Å; K216-V328 HydrophobicContact CG-CG2 3.89Å; T326-V328 HydrophobicContact CG2-CG2 4.43Å; V328-V362 WeakPolarHBondContact CA-O 3.44Å; V328-T364 HydrophobicContact CG1-CG2 3.59Å
329L97.6Very high91.8Very high1 Ų134.5 Ų34.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-127.2146.5-177.4-57.2178.7000111.2I334 M337 L345 V361 V362 L363 T364 A393 V397L329-I334 HydrophobicContact CB-CD1 3.63Å; L329-I334 HydrophobicContact CD1-CD1 3.82Å; L329-I334 HydrophobicContact CG-CD1 4.32Å; L329-M337 HydrophobicContact CD1-CE 4.35Å; L329-M337 HydrophobicContact CD2-CE 4.04Å; L329-L345 HydrophobicContact CD2-CD1 4.09Å; L329-V361 HydrophobicContact CD1-CG1 3.99Å; L329-V361 HydrophobicContact CD1-CG2 4.43Å; L329-V361 HydrophobicContact CG-CG1 4.27Å; L329-V362 PolarHBondContact N-O 2.96Å; L329-L363 HydrophobicContact CB-CD1 4.24Å; L329-L363 CarbonylContact O-C 3.59Å; L329-L363 WeakPolarHBondContact O-CA 3.22Å; L329-T364 PolarHBondContact O-N 3.21Å; L329-T364 PolarHBondContact O-OG1 3Å; L329-T364 VanDerWaalsContact O-OG1 3.14Å; L329-A393 HydrophobicContact CD1-CB 4.3Å; L329-V397 HydrophobicContact CD1-CG2 3.61Å
330D94.5Very high91.6Very high7 Ų735.7 Ų35.74%0.03720%0.195CC..EExtended strand (participates in β ladder)trans-89.8119.5178.4-177.3-20.3000110.4V214 C332 N333 I334 K365V214-D330 HydrophobicContact CB-CB 4.22Å; V214-D330 HydrophobicContact CG1-CB 3.99Å; D330-C332 PolarHBondContact O-N 3.38Å; D330-C332 VanDerWaalsContact OD1-CB 3.32Å; D330-C332 WeakPolarHBondContact OD1-CB 3.41Å; D330-C332 PolarHBondContact OD1-N 3.03Å; D330-N333 HydrophobicContact CB-CB 4.28Å; D330-N333 PolarHBondContact O-N 3.07Å; D330-N333 PolarHBondContact OD2-ND2 3.1Å; D330-N333 VanDerWaalsContact OD2-ND2 3.12Å; D330-I334 WeakPolarHBondContact O-CG1 3.44Å; D330-I334 PolarHBondContact O-N 3.19Å; D330-K365 WeakPolarHBondContact OD2-CD 3.35Å; D330-K365 WeakPolarHBondContact OD2-CE 3.29Å; D330-K365 IonicContact OD2-NZ 3.68Å; D330-K365 PolarHBondContact OD2-NZ 3.24Å
331A93.2Very high91.5Very high0 Ų035 Ų350%019%0.191CC..THydrogen-bonded Turntrans-55.4-32.8179.500000113.6N333 L363 T364 V366 A369 I389A331-N333 PolarHBondContact O-N 2.87Å; A331-L363 HydrophobicContact CB-CD1 4.11Å; A331-L363 HydrophobicContact CB-CD2 4.19Å; A331-L363 HydrophobicContact CB-CG 3.96Å; A331-T364 VanDerWaalsContact CB-O 3.25Å; A331-T364 WeakPolarHBondContact CB-O 3.28Å; A331-T364 PolarHBondContact N-O 3.17Å; A331-V366 HydrophobicContact CB-CG1 4.14Å; A331-A369 HydrophobicContact CB-CB 3.59Å; A331-I389 HydrophobicContact CB-CG2 4.3Å
332C85.4Confident91.2Very high52 Ų5234 Ų3435%0.35119%0.187SC..THydrogen-bonded Turntrans-69.6-24.8-179.7-56.80000112.4D330D330-C332 PolarHBondContact O-N 3.38Å; D330-C332 VanDerWaalsContact OD1-CB 3.32Å; D330-C332 WeakPolarHBondContact OD1-CB 3.41Å; D330-C332 PolarHBondContact OD1-N 3.03Å
333N84.3Confident90.9Very high77 Ų7739.7 Ų39.741%0.41221%0.214SC..THydrogen-bonded Turntrans-111.9-1.2-168-66.6-33.4000113.7D330 A331 S335 I336 M337D330-N333 HydrophobicContact CB-CB 4.28Å; D330-N333 PolarHBondContact O-N 3.07Å; D330-N333 PolarHBondContact OD2-ND2 3.1Å; D330-N333 VanDerWaalsContact OD2-ND2 3.12Å; A331-N333 PolarHBondContact O-N 2.87Å; N333-S335 PolarHBondContact O-N 3.3Å; N333-I336 HydrophobicContact CB-CG1 4.46Å; N333-I336 PolarHBondContact O-N 2.9Å; N333-M337 PolarHBondContact O-N 3.13Å
334I87.1Confident90.7Very high1 Ų140.8 Ų40.81%0.00522%0.219CC..SBendtrans-56.8-51.4-179.5-65.1-56.2000111.2L329 D330 I336 M337 L363 I389 Q392 A393 K396L329-I334 HydrophobicContact CB-CD1 3.63Å; L329-I334 HydrophobicContact CD1-CD1 3.82Å; L329-I334 HydrophobicContact CG-CD1 4.32Å; D330-I334 WeakPolarHBondContact O-CG1 3.44Å; D330-I334 PolarHBondContact O-N 3.19Å; I334-I336 VanDerWaalsContact C-N 3.29Å; I334-I336 PolarHBondContact O-N 3.48Å; I334-M337 HydrophobicContact CD1-CE 4.1Å; I334-M337 WeakPolarHBondContact O-CB 3.49Å; I334-M337 PolarHBondContact O-N 2.92Å; I334-L363 HydrophobicContact CD1-CD1 3.89Å; I334-L363 HydrophobicContact CG1-CD1 3.8Å; I334-I389 HydrophobicContact CB-CG2 4.02Å; I334-I389 HydrophobicContact CG1-CG2 3.74Å; I334-I389 HydrophobicContact CG2-CG2 4.39Å; I334-Q392 HydrophobicContact CG2-CB 3.62Å; I334-A393 HydrophobicContact CD1-CB 4.1Å; I334-A393 HydrophobicContact CG1-CB 4.44Å; I334-A393 HydrophobicContact CG2-CB 4.27Å; I334-K396 HydrophobicContact CG2-CD 4.28Å; I334-K396 WeakPolarHBondContact O-CD 3.45Å; I334-K396 WeakPolarHBondContact O-CE 3.37Å; I334-K396 PolarHBondContact O-NZ 3.25Å
335S78.4Confident90.5Very high63 Ų6340.8 Ų40.844%0.44122%0.219SC..THydrogen-bonded Turntrans-64.3-32.5-174.5-590000113N333 Q392 K396N333-S335 PolarHBondContact O-N 3.3Å; S335-Q392 PolarHBondContact OG-OE1 3.1Å; S335-K396 PolarHBondContact O-NZ 2.81Å
336I79.4Confident90.3Very high129 Ų12942 Ų4266%0.66223%0.227SC*.THydrogen-bonded Turntrans-99.712.1-17961.3170000113.6N333 I334 P338N333-I336 HydrophobicContact CB-CG1 4.46Å; N333-I336 PolarHBondContact O-N 2.9Å; I334-I336 VanDerWaalsContact C-N 3.29Å; I334-I336 PolarHBondContact O-N 3.48Å; I336-P338 WeakPolarHBondContact O-CD 3.44Å
337M83.5Confident90Very high21 Ų2143.5 Ų43.510%0.10324%0.24CC..  trans-56.2124.8177.9-173.1-178.7-63.200110.8L329 N333 I334 M341 E342 L345 K396L329-M337 HydrophobicContact CD1-CE 4.35Å; L329-M337 HydrophobicContact CD2-CE 4.04Å; N333-M337 PolarHBondContact O-N 3.13Å; I334-M337 HydrophobicContact CD1-CE 4.1Å; I334-M337 WeakPolarHBondContact O-CB 3.49Å; I334-M337 PolarHBondContact O-N 2.92Å; M337-M341 HydrophobicContact CG-CB 4.03Å; M337-M341 HydrophobicContact CG-CG 4.09Å; M337-M341 HydrophobicContact SD-CG 4.27Å; M337-E342 HydrophobicContact CB-CG 4.48Å; M337-E342 HydrophobicContact CG-CG 3.93Å; M337-E342 HydrophobicContact SD-CG 3.61Å; M337-L345 HydrophobicContact CE-CD1 4.14Å; M337-L345 HydrophobicContact SD-CD1 3.76Å; M337-K396 HydrophobicContact CB-CD 4.2Å; M337-K396 HydrophobicContact SD-CD 4.28Å
338P86.1Confident89.9Confident72 Ų7243.6 Ų43.647%0.46824%0.24SC..  trans-63.8143.5178.5-22.733.2000112.2I336 K340 M341 E342I336-P338 WeakPolarHBondContact O-CD 3.44Å; P338-K340 VanDerWaalsContact C-N 3.26Å; P338-K340 PolarHBondContact O-N 2.83Å; P338-M341 WeakPolarHBondContact O-CA 3.21Å; P338-M341 WeakPolarHBondContact O-CB 3.43Å; P338-M341 PolarHBondContact O-N 3.24Å; P338-E342 PolarHBondContact O-N 3.16Å
339T88.3Confident89.8Confident93 Ų9346.2 Ų46.257%0.57125%0.25SC*.Hα-helixtrans-54.6-39.3179.8-50.40000113M341 E342 E343T339-M341 VanDerWaalsContact C-N 3.26Å; T339-M341 PolarHBondContact O-N 2.65Å; T339-E342 WeakPolarHBondContact O-CB 3.26Å; T339-E342 PolarHBondContact O-N 2.82Å; T339-E342 VanDerWaalsContact O-N 3.13Å; T339-E343 WeakPolarHBondContact O-CG 3.18Å; T339-E343 PolarHBondContact O-N 3.05Å
340K88.8Confident89.7Confident140 Ų14052.7 Ų52.761%0.60928%0.278SS*.Hα-helixtrans-59.7-35.7175.7-69-174.3176.7-174.90113P338 K344P338-K340 VanDerWaalsContact C-N 3.26Å; P338-K340 PolarHBondContact O-N 2.83Å; K340-K344 PolarHBondContact O-N 2.77Å
341M91.3Very high89.7Confident7 Ų755.6 Ų55.63%0.03429%0.291CS..Hα-helixtrans-71.1-40.5176.4-173.457.858.400110.9P211 L272 M337 P338 T339 E343 K344 L345P211-M341 HydrophobicContact CG-CE 4.5Å; P211-M341 HydrophobicContact CG-CG 4.13Å; P211-M341 HydrophobicContact CG-SD 3.96Å; L272-M341 HydrophobicContact CB-CE 4.12Å; L272-M341 HydrophobicContact CB-SD 3.89Å; L272-M341 HydrophobicContact CD1-SD 4.29Å; M337-M341 HydrophobicContact CG-CB 4.03Å; M337-M341 HydrophobicContact CG-CG 4.09Å; M337-M341 HydrophobicContact SD-CG 4.27Å; P338-M341 WeakPolarHBondContact O-CA 3.21Å; P338-M341 WeakPolarHBondContact O-CB 3.43Å; P338-M341 PolarHBondContact O-N 3.24Å; T339-M341 VanDerWaalsContact C-N 3.26Å; T339-M341 PolarHBondContact O-N 2.65Å; M341-E343 VanDerWaalsContact C-N 3.33Å; M341-E343 PolarHBondContact O-N 3.39Å; M341-K344 PolarHBondContact O-N 3.06Å; M341-L345 HydrophobicContact CG-CD1 4.41Å; M341-L345 WeakPolarHBondContact O-CG 3.32Å; M341-L345 PolarHBondContact O-N 2.96Å
342E91.1Very high89.8Confident49 Ų4955.6 Ų55.623%0.22929%0.291CS..Hα-helixtrans-59.9-43.9174-62.9178.4-175.200111.4M337 P338 T339 K344 L345 S346 K396M337-E342 HydrophobicContact CB-CG 4.48Å; M337-E342 HydrophobicContact CG-CG 3.93Å; M337-E342 HydrophobicContact SD-CG 3.61Å; P338-E342 PolarHBondContact O-N 3.16Å; T339-E342 WeakPolarHBondContact O-CB 3.26Å; T339-E342 PolarHBondContact O-N 2.82Å; T339-E342 VanDerWaalsContact O-N 3.13Å; E342-K344 PolarHBondContact O-N 3.35Å; E342-L345 PolarHBondContact O-N 3.34Å; E342-S346 VanDerWaalsContact O-CB 3.26Å; E342-S346 WeakPolarHBondContact O-CB 3.39Å; E342-S346 PolarHBondContact O-N 3.11Å; E342-K396 HydrophobicContact CG-CB 4.31Å; E342-K396 HydrophobicContact CG-CD 4.37Å; E342-K396 HydrophobicContact CG-CG 4.33Å; E342-K396 WeakPolarHBondContact OE1-CD 3.35Å; E342-K396 WeakPolarHBondContact OE1-CE 3.34Å; E342-K396 IonicContact OE1-NZ 3Å; E342-K396 PolarHBondContact OE1-NZ 3.43Å
343E91.4Very high90.3Very high121 Ų12157.6 Ų57.657%0.56530%0.297SS*.Hα-helixtrans-60.1-44174.6-71.8170.2176.800111.9T339 M341 S346 A347T339-E343 WeakPolarHBondContact O-CG 3.18Å; T339-E343 PolarHBondContact O-N 3.05Å; M341-E343 VanDerWaalsContact C-N 3.33Å; M341-E343 PolarHBondContact O-N 3.39Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 3.38Å; E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.9Å
344K92.1Very high90.8Very high24 Ų2461.6 Ų61.610%0.10431%0.314CS..Hα-helixtrans-64-46.2177.7-163.8167.9-173.4169.30111.7L272 E273 L280 K340 M341 E342 S346 A347 I348L272-K344 HydrophobicContact CD2-CD 4.46Å; E273-K344 PolarHBondContact O-NZ 2.86Å; L280-K344 VanDerWaalsContact O-CE 3.22Å; L280-K344 WeakPolarHBondContact O-CE 3.42Å; L280-K344 PolarHBondContact O-NZ 3.42Å; K340-K344 PolarHBondContact O-N 2.77Å; M341-K344 PolarHBondContact O-N 3.06Å; E342-K344 PolarHBondContact O-N 3.35Å; K344-S346 VanDerWaalsContact C-N 3.31Å; K344-S346 PolarHBondContact O-N 3.24Å; K344-A347 PolarHBondContact O-N 2.86Å; K344-I348 HydrophobicContact CG-CD1 4.4Å; K344-I348 WeakPolarHBondContact O-CD1 3.37Å; K344-I348 VanDerWaalsContact O-CG1 3.28Å; K344-I348 WeakPolarHBondContact O-CG1 3.48Å; K344-I348 PolarHBondContact O-N 3.49Å
345L94.4Very high91.2Very high0 Ų064.2 Ų64.20%033%0.327CS..Hα-helixtrans-60.4-41.7174.4-67.5174.4000111.6L272 Y327 L329 M337 M341 E342 A347 I348 R349 V397L272-L345 HydrophobicContact CD1-CD2 3.72Å; Y327-L345 HydrophobicContact CD1-CD2 3.72Å; Y327-L345 HydrophobicContact CE1-CD2 3.99Å; L329-L345 HydrophobicContact CD2-CD1 4.09Å; M337-L345 HydrophobicContact CE-CD1 4.14Å; M337-L345 HydrophobicContact SD-CD1 3.76Å; M341-L345 HydrophobicContact CG-CD1 4.41Å; M341-L345 WeakPolarHBondContact O-CG 3.32Å; M341-L345 PolarHBondContact O-N 2.96Å; E342-L345 PolarHBondContact O-N 3.34Å; L345-A347 PolarHBondContact O-N 2.91Å; L345-I348 PolarHBondContact O-N 3.34Å; L345-R349 WeakPolarHBondContact O-CB 3.38Å; L345-R349 PolarHBondContact O-N 2.61Å; L345-V397 HydrophobicContact CD1-CG2 4.43Å
346S93.5Very high92Very high25 Ų2567.7 Ų67.718%0.17533%0.331CS..Hα-helixtrans-63.6-39.5176.4-174.60000112.3E342 E343 K344 R349 K350E342-S346 VanDerWaalsContact O-CB 3.26Å; E342-S346 WeakPolarHBondContact O-CB 3.39Å; E342-S346 PolarHBondContact O-N 3.11Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 3.38Å; K344-S346 VanDerWaalsContact C-N 3.31Å; K344-S346 PolarHBondContact O-N 3.24Å; S346-R349 PolarHBondContact O-N 2.79Å; S346-R349 PolarHBondContact OG-NH2 3.27Å; S346-K350 WeakPolarHBondContact O-CG 3.48Å; S346-K350 PolarHBondContact O-N 2.95Å
347A93.5Very high92.8Very high32 Ų3261.9 Ų61.926%0.26430%0.301SS..Hα-helixtrans-64.9-44175.600000112I282 E343 K344 L345 R349 K350 K351I282-A347 HydrophobicContact CD1-CB 3.76Å; E343-A347 WeakPolarHBondContact O-CB 3.34Å; E343-A347 PolarHBondContact O-N 2.9Å; K344-A347 PolarHBondContact O-N 2.86Å; L345-A347 PolarHBondContact O-N 2.91Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 3.01Å; A347-K350 PolarHBondContact O-N 3.02Å; A347-K351 PolarHBondContact O-N 3.5Å; A347-K351 VanDerWaalsContact O-N 3.1Å
348I94.9Very high93.5Very high1 Ų162 Ų621%0.00530%0.303CS..Hα-helixtrans-60-45.5174.6-64.5161.7000110.2I209 L272 I285 Y327 K344 L345 K350 K351 A352I209-I348 HydrophobicContact CD1-CD1 3.73Å; I209-I348 HydrophobicContact CD1-CG1 4.49Å; I209-I348 HydrophobicContact CD1-CG2 4.22Å; I209-I348 HydrophobicContact CG1-CD1 4.49Å; L272-I348 HydrophobicContact CD1-CD1 3.81Å; L272-I348 HydrophobicContact CD2-CD1 4.12Å; I285-I348 HydrophobicContact CD1-CD1 3.64Å; I285-I348 HydrophobicContact CD1-CG1 3.74Å; I285-I348 HydrophobicContact CG2-CG2 4.18Å; Y327-I348 HydrophobicContact CE1-CB 4.36Å; Y327-I348 HydrophobicContact CE1-CG2 3.97Å; Y327-I348 WeakPolarHBondContact OH-CG2 3.38Å; K344-I348 HydrophobicContact CG-CD1 4.4Å; K344-I348 WeakPolarHBondContact O-CD1 3.37Å; K344-I348 VanDerWaalsContact O-CG1 3.28Å; K344-I348 WeakPolarHBondContact O-CG1 3.48Å; K344-I348 PolarHBondContact O-N 3.49Å; L345-I348 PolarHBondContact O-N 3.34Å; I348-K350 VanDerWaalsContact C-N 3.32Å; I348-K350 PolarHBondContact O-N 3.19Å; I348-K351 PolarHBondContact O-N 2.91Å; I348-K351 VanDerWaalsContact O-N 3.16Å; I348-A352 PolarHBondContact O-N 2.82Å
349R95.9Very high94Very high55 Ų5559.5 Ų59.521%0.20829%0.285CS..Hα-helixtrans-59.1-43.1178.3173.7-16956.9159.2-7.8112Y327 L345 S346 A347 K351 A352 N353 Q359 V397 G398Y327-R349 WeakPolarHBondContact OH-CA 3.45Å; Y327-R349 WeakPolarHBondContact OH-CB 3.31Å; Y327-R349 PolarHBondContact OH-N 3.48Å; L345-R349 WeakPolarHBondContact O-CB 3.38Å; L345-R349 PolarHBondContact O-N 2.61Å; S346-R349 PolarHBondContact O-N 2.79Å; S346-R349 PolarHBondContact OG-NH2 3.27Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 3.01Å; R349-K351 VanDerWaalsContact C-N 3.34Å; R349-K351 PolarHBondContact O-N 3.08Å; R349-A352 PolarHBondContact O-N 2.83Å; R349-N353 WeakPolarHBondContact O-CB 3.32Å; R349-N353 VanDerWaalsContact O-CG 3.32Å; R349-N353 PolarHBondContact O-N 2.9Å; R349-Q359 VanDerWaalsContact CA-OE1 3.24Å; R349-Q359 PolarHBondContact O-NE2 3.5Å; R349-V397 WeakPolarHBondContact CD-O 3.41Å; R349-V397 VanDerWaalsContact CZ-O 3.27Å; R349-V397 PolarHBondContact NE-O 2.86Å; R349-V397 VanDerWaalsContact NE-O 3.13Å; R349-V397 PolarHBondContact NH1-O 3.33Å; R349-G398 WeakPolarHBondContact CD-O 3.36Å; R349-G398 PolarHBondContact NH1-O 3.2Å
350K95.4Very high94.5Very high137 Ų13755.2 Ų55.260%0.59626%0.259SS*.Hα-helixtrans-61.6-41.5177-73.6173.5-177.8-179.50111.7S346 A347 I348 N353 H354S346-K350 WeakPolarHBondContact O-CG 3.48Å; S346-K350 PolarHBondContact O-N 2.95Å; A347-K350 PolarHBondContact O-N 3.02Å; I348-K350 VanDerWaalsContact C-N 3.32Å; I348-K350 PolarHBondContact O-N 3.19Å; K350-N353 PolarHBondContact O-N 2.81Å; K350-H354 PolarHBondContact O-N 3.24Å
351K95.5Very high95Very high69 Ų6948.5 Ų48.530%0.323%0.23SC..Hα-helixtrans-65.1-44.8175.6-67.3-82.4-167.81530111.5I282 E283 A347 I348 R349 N353 H354 L355I282-K351 HydrophobicContact CG2-CG 4.28Å; E283-K351 IonicContact OE1-NZ 3.93Å; E283-K351 PolarHBondContact OE1-NZ 3.28Å; E283-K351 IonicContact OE2-NZ 2.64Å; A347-K351 PolarHBondContact O-N 3.5Å; A347-K351 VanDerWaalsContact O-N 3.1Å; I348-K351 PolarHBondContact O-N 2.91Å; I348-K351 VanDerWaalsContact O-N 3.16Å; R349-K351 VanDerWaalsContact C-N 3.34Å; R349-K351 PolarHBondContact O-N 3.08Å; K351-N353 PolarHBondContact O-N 3.07Å; K351-H354 PolarHBondContact O-N 2.86Å; K351-L355 WeakPolarHBondContact O-CG 3.4Å; K351-L355 PolarHBondContact O-N 2.88Å; K351-L355 VanDerWaalsContact O-N 3.12Å
352A96.2Very high95.3Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-60.8-44.1175.800000112V325 I348 R349 H354 L355 R356 I357 Q359V325-A352 HydrophobicContact CG2-CB 4.21Å; I348-A352 PolarHBondContact O-N 2.82Å; R349-A352 PolarHBondContact O-N 2.83Å; A352-H354 PolarHBondContact O-N 3.07Å; A352-L355 CarbonylContact O-C 3.57Å; A352-L355 PolarHBondContact O-N 3.37Å; A352-L355 VanDerWaalsContact O-N 3.16Å; A352-R356 PolarHBondContact O-N 3.4Å; A352-I357 PolarHBondContact O-N 3.45Å; A352-Q359 HydrophobicContact CB-CG 3.99Å
353N95.3Very high95.7Very high93 Ų9345.9 Ų45.950%0.49722%0.217SC..Hα-helixtrans-59.7-42.6174.2-77.6-18000112.7R349 K350 K351 L355 R356 Q359R349-N353 WeakPolarHBondContact O-CB 3.32Å; R349-N353 VanDerWaalsContact O-CG 3.32Å; R349-N353 PolarHBondContact O-N 2.9Å; K350-N353 PolarHBondContact O-N 2.81Å; K351-N353 PolarHBondContact O-N 3.07Å; N353-L355 PolarHBondContact O-N 3.38Å; N353-R356 WeakPolarHBondContact O-CA 3.17Å; N353-R356 PolarHBondContact O-N 2.99Å; N353-Q359 PolarHBondContact OD1-NE2 2.95Å
354H94.7Very high96Very high162 Ų16240.1 Ų40.175%0.7519%0.19SC*.Hα-helixtrans-62.3-33.9177.7-173.276.2000112.1K350 K351 A352 R356K350-H354 PolarHBondContact O-N 3.24Å; K351-H354 PolarHBondContact O-N 2.86Å; A352-H354 PolarHBondContact O-N 3.07Å; H354-R356 VanDerWaalsContact C-N 3.28Å
355L94.3Very high96.1Very high55 Ų5542.5 Ų42.529%0.28820%0.201SC..THydrogen-bonded Turntrans-852.1174.2-62.7176.5000113.4L289 K290 K351 A352 N353 I357L289-L355 HydrophobicContact CB-CD1 3.75Å; L289-L355 HydrophobicContact CD1-CD1 3.92Å; L289-L355 HydrophobicContact CG-CD1 4.49Å; K290-L355 HydrophobicContact CG-CD1 4.45Å; K351-L355 WeakPolarHBondContact O-CG 3.4Å; K351-L355 PolarHBondContact O-N 2.88Å; K351-L355 VanDerWaalsContact O-N 3.12Å; A352-L355 CarbonylContact O-C 3.57Å; A352-L355 PolarHBondContact O-N 3.37Å; A352-L355 VanDerWaalsContact O-N 3.16Å; N353-L355 PolarHBondContact O-N 3.38Å; L355-I357 HydrophobicContact CB-CD1 3.8Å; L355-I357 HydrophobicContact CB-CG1 3.84Å; L355-I357 HydrophobicContact CD1-CD1 4.03Å; L355-I357 PolarHBondContact O-N 2.92Å
356R95.1Very high96.2Very high136 Ų13642.5 Ų42.551%0.51320%0.201SC..THydrogen-bonded Turntrans51.735.4-173.7-55.1-172-172.11703.4113.5A352 N353 H354A352-R356 PolarHBondContact O-N 3.4Å; N353-R356 WeakPolarHBondContact O-CA 3.17Å; N353-R356 PolarHBondContact O-N 2.99Å; H354-R356 VanDerWaalsContact C-N 3.28Å
357I97.6Very high96.1Very high7 Ų742.3 Ų42.34%0.03620%0.198CC..  trans-88.1123.4176.3-58171.8000108L289 I322 V325 A352 L355 Q359 F438L289-I357 HydrophobicContact CB-CD1 3.88Å; L289-I357 HydrophobicContact CD1-CD1 4.44Å; L289-I357 HydrophobicContact CD2-CD1 3.95Å; L289-I357 HydrophobicContact CG-CD1 4.29Å; I322-I357 HydrophobicContact CG2-CG2 4.44Å; V325-I357 HydrophobicContact CG2-CG2 3.88Å; A352-I357 PolarHBondContact O-N 3.45Å; L355-I357 HydrophobicContact CB-CD1 3.8Å; L355-I357 HydrophobicContact CB-CG1 3.84Å; L355-I357 HydrophobicContact CD1-CD1 4.03Å; L355-I357 PolarHBondContact O-N 2.92Å; I357-Q359 WeakPolarHBondContact O-CG 3.49Å; I357-F438 HydrophobicContact CG1-CD2 4.23Å; I357-F438 HydrophobicContact CG1-CE2 3.98Å
358P97.5Very high95.9Very high24 Ų2444 Ų4416%0.15621%0.211CC..  trans-67.8150179.224.9-30.4000111.2H323 C324 V325 S434 F438H323-P358 WeakPolarHBondContact O-CD 3.25Å; H323-P358 WeakPolarHBondContact O-CG 3.17Å; C324-P358 WeakPolarHBondContact CA-O 3.41Å; C324-P358 PolarHBondContact SG-O 3.5Å; V325-P358 PolarHBondContact N-O 3.2Å; P358-S434 WeakPolarHBondContact CG-O 3.35Å; P358-F438 HydrophobicContact CG-CB 3.9Å
359Q97.7Very high95.4Very high19 Ų1945 Ų459%0.08922%0.22CC..EExtended strand (participates in β ladder)trans-130.4140-166.6-61.3175.875.900111.8V325 Y327 R349 A352 N353 I357 I399V325-Q359 HydrophobicContact CB-CG 4.29Å; V325-Q359 CarbonylContact O-C 3.57Å; V325-Q359 VanDerWaalsContact O-CA 3.27Å; V325-Q359 WeakPolarHBondContact O-CA 3.31Å; Y327-Q359 HydrophobicContact CE2-CB 4.19Å; Y327-Q359 HydrophobicContact CE2-CG 4.4Å; Y327-Q359 VanDerWaalsContact CE2-OE1 3.32Å; Y327-Q359 PolarHBondContact OH-OE1 3.06Å; R349-Q359 VanDerWaalsContact CA-OE1 3.24Å; R349-Q359 PolarHBondContact O-NE2 3.5Å; A352-Q359 HydrophobicContact CB-CG 3.99Å; N353-Q359 PolarHBondContact OD1-NE2 2.95Å; I357-Q359 WeakPolarHBondContact O-CG 3.49Å; Q359-I399 HydrophobicContact CB-CG2 4.36Å
360L98.1Very high94.9Very high3 Ų342.8 Ų42.82%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-136.6157.1-179.2-162.6124000110V325 T326 Y327 V362 C403 V405 Q430 M431V325-L360 PolarHBondContact O-N 2.74Å; T326-L360 CarbonylContact C-O 3.5Å; T326-L360 WeakPolarHBondContact CA-O 3.43Å; T326-L360 HydrophobicContact CG2-CD2 4.42Å; Y327-L360 WeakPolarHBondContact CD2-O 3.46Å; Y327-L360 PolarHBondContact N-O 2.73Å; L360-V362 HydrophobicContact CD2-CG2 4.05Å; L360-C403 CarbonylContact C-O 3.55Å; L360-C403 WeakPolarHBondContact CA-O 3.49Å; L360-C403 WeakPolarHBondContact CG-O 3.44Å; L360-V405 HydrophobicContact CD2-CG2 4.14Å; L360-Q430 HydrophobicContact CD1-CB 3.75Å; L360-M431 HydrophobicContact CD2-CE 4.37Å; L360-M431 HydrophobicContact CD2-CG 4.36Å
361V98.6Very high94.4Very high0 Ų040.1 Ų40.10%021%0.212CC..EExtended strand (participates in β ladder)trans-115.6131.9167.9168.30000109.2Y327 L329 V397 I399 C403 I404 V405Y327-V361 HydrophobicContact CD2-CG2 4.25Å; Y327-V361 HydrophobicContact CG-CG2 4.38Å; Y327-V361 CarbonylContact O-C 3.57Å; Y327-V361 VanDerWaalsContact O-CA 3.24Å; Y327-V361 WeakPolarHBondContact O-CA 3.2Å; L329-V361 HydrophobicContact CD1-CG1 3.99Å; L329-V361 HydrophobicContact CD1-CG2 4.43Å; L329-V361 HydrophobicContact CG-CG1 4.27Å; V361-V397 HydrophobicContact CG2-CB 4.45Å; V361-V397 HydrophobicContact CG2-CG1 4.35Å; V361-V397 HydrophobicContact CG2-CG2 4.07Å; V361-I399 HydrophobicContact CB-CD1 3.91Å; V361-I399 HydrophobicContact CG2-CD1 3.26Å; V361-I399 HydrophobicContact CG2-CG1 3.96Å; V361-C403 PolarHBondContact N-O 3.08Å; V361-I404 HydrophobicContact CB-CB 4.36Å; V361-I404 HydrophobicContact CB-CG1 4.05Å; V361-I404 HydrophobicContact CB-CG2 4.1Å; V361-I404 HydrophobicContact CG1-CG2 3.88Å; V361-I404 CarbonylContact O-C 3.46Å; V361-I404 WeakPolarHBondContact O-CA 3.17Å; V361-V405 PolarHBondContact O-N 3.27Å
362V98.7Very high93.9Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-101.8117.6162.6170.40000108F219 T326 Y327 V328 L329 L360 T364 V405 V407 A427 M431F219-V362 HydrophobicContact CD2-CG1 4.02Å; F219-V362 HydrophobicContact CE2-CG1 4Å; F219-V362 HydrophobicContact CE2-CG2 4.45Å; F219-V362 HydrophobicContact CZ-CG2 4.3Å; T326-V362 HydrophobicContact CG2-CB 4.01Å; T326-V362 HydrophobicContact CG2-CG2 3.54Å; Y327-V362 PolarHBondContact O-N 3.27Å; V328-V362 WeakPolarHBondContact CA-O 3.44Å; L329-V362 PolarHBondContact N-O 2.96Å; L360-V362 HydrophobicContact CD2-CG2 4.05Å; V362-T364 HydrophobicContact CG1-CG2 4.01Å; V362-V405 WeakPolarHBondContact CA-O 3.36Å; V362-V407 HydrophobicContact CG1-CB 4.35Å; V362-V407 HydrophobicContact CG1-CG1 4.06Å; V362-V407 HydrophobicContact CG1-CG2 3.35Å; V362-A427 HydrophobicContact CG2-CB 4.29Å; V362-M431 HydrophobicContact CG2-CE 3.35Å
363L98.4Very high93.7Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-97.5105.4178.8-173.972.8000108.9L329 A331 I334 V366 I389 M390 I404 V405 P406 V407L329-L363 HydrophobicContact CB-CD1 4.24Å; L329-L363 CarbonylContact O-C 3.59Å; L329-L363 WeakPolarHBondContact O-CA 3.22Å; A331-L363 HydrophobicContact CB-CD1 4.11Å; A331-L363 HydrophobicContact CB-CD2 4.19Å; A331-L363 HydrophobicContact CB-CG 3.96Å; I334-L363 HydrophobicContact CD1-CD1 3.89Å; I334-L363 HydrophobicContact CG1-CD1 3.8Å; L363-V366 HydrophobicContact CD2-CG1 4.19Å; L363-V366 HydrophobicContact CG-CG1 4.24Å; L363-I389 HydrophobicContact CD1-CG2 4.33Å; L363-I389 HydrophobicContact CD2-CG2 3.86Å; L363-M390 HydrophobicContact CD2-CG 3.75Å; L363-I404 HydrophobicContact CB-CG2 4.35Å; L363-V405 PolarHBondContact N-O 2.82Å; L363-P406 CarbonylContact O-C 3.5Å; L363-P406 WeakPolarHBondContact O-CA 3.5Å; L363-V407 PolarHBondContact O-N 2.71Å
364T98.2Very high93.4Very high0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-89.8169.2-17763.90000111.7V214 V328 L329 A331 V362 V366 V407V214-T364 PolarHBondContact O-OG1 3.38Å; V328-T364 HydrophobicContact CG1-CG2 3.59Å; L329-T364 PolarHBondContact O-N 3.21Å; L329-T364 PolarHBondContact O-OG1 3Å; L329-T364 VanDerWaalsContact O-OG1 3.14Å; A331-T364 VanDerWaalsContact CB-O 3.25Å; A331-T364 WeakPolarHBondContact CB-O 3.28Å; A331-T364 PolarHBondContact N-O 3.17Å; V362-T364 HydrophobicContact CG1-CG2 4.01Å; T364-V366 VanDerWaalsContact C-N 3.25Å; T364-V366 PolarHBondContact O-N 3.05Å; T364-V407 WeakPolarHBondContact CA-O 3.26Å; T364-V407 HydrophobicContact CG2-CG2 3.93Å
365K95.3Very high93.1Very high74 Ų7440 Ų4032%0.32221%0.208SC..  trans58.732.9174.9-52.4-169.4-164.3162.10113.9G213 D330 D367 A368 A369G213-K365 PolarHBondContact O-NZ 3.27Å; D330-K365 WeakPolarHBondContact OD2-CD 3.35Å; D330-K365 WeakPolarHBondContact OD2-CE 3.29Å; D330-K365 IonicContact OD2-NZ 3.68Å; D330-K365 PolarHBondContact OD2-NZ 3.24Å; K365-D367 PolarHBondContact O-N 3.12Å; K365-A368 HydrophobicContact CB-CB 4.11Å; K365-A368 PolarHBondContact O-N 3.17Å; K365-A368 VanDerWaalsContact O-N 3.17Å; K365-A369 WeakPolarHBondContact O-CB 3.37Å; K365-A369 PolarHBondContact O-N 3.36Å
366V95.9Very high93.1Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-65.8-28.9178-64.20000112.8A331 L363 T364 C370 V373 L377 V380 I386 P406A331-V366 HydrophobicContact CB-CG1 4.14Å; L363-V366 HydrophobicContact CD2-CG1 4.19Å; L363-V366 HydrophobicContact CG-CG1 4.24Å; T364-V366 VanDerWaalsContact C-N 3.25Å; T364-V366 PolarHBondContact O-N 3.05Å; V366-C370 WeakPolarHBondContact O-CB 3.49Å; V366-C370 PolarHBondContact O-N 3.23Å; V366-C370 VanDerWaalsContact O-N 3.07Å; V366-V373 HydrophobicContact CB-CG1 4.41Å; V366-V373 HydrophobicContact CG2-CG1 4Å; V366-L377 HydrophobicContact CG2-CD1 4.47Å; V366-V380 HydrophobicContact CG2-CG2 4.19Å; V366-I386 HydrophobicContact CB-CD1 3.89Å; V366-I386 HydrophobicContact CG1-CD1 4.15Å; V366-P406 HydrophobicContact CG1-CB 3.7Å
367D91.5Very high93.1Very high21 Ų2134.6 Ų34.611%0.11219%0.189CC..Hα-helixtrans-70.2-38.2171.259.3-39000112.1K365 K374 R408K365-D367 PolarHBondContact O-N 3.12Å; D367-K374 VanDerWaalsContact O-CB 3.28Å; D367-K374 WeakPolarHBondContact O-CB 3.48Å; D367-R408 HydrophobicContact CB-CG 4.33Å; D367-R408 WeakPolarHBondContact OD2-CD 3.08Å; D367-R408 IonicContact OD2-CZ 3.92Å; D367-R408 IonicContact OD2-NE 3.12Å; D367-R408 PolarHBondContact OD2-NE 2.96Å
368A87.9Confident93Very high67 Ų6735.7 Ų35.755%0.55420%0.196SC*.Hα-helixtrans-71-36173.800000112.1K365K365-A368 HydrophobicContact CB-CB 4.11Å; K365-A368 PolarHBondContact O-N 3.17Å; K365-A368 VanDerWaalsContact O-N 3.17Å
369A84.6Confident92.9Very high22 Ų2235.1 Ų35.118%0.18219%0.192CC..Hα-helixtrans-76.9-28.1-176.700000113.4A331 K365 Y385A331-A369 HydrophobicContact CB-CB 3.59Å; K365-A369 WeakPolarHBondContact O-CB 3.37Å; K365-A369 PolarHBondContact O-N 3.36Å; A369-Y385 HydrophobicContact CB-CE1 3.97Å; A369-Y385 WeakPolarHBondContact O-CE1 3.24Å
370C85.9Confident92.9Very high10 Ų1034.2 Ų34.27%0.06819%0.188CC..  trans-133.1115.9-174.8-171.10000112V366 L372 V373 K374 S383 Y385 I386V366-C370 WeakPolarHBondContact O-CB 3.49Å; V366-C370 PolarHBondContact O-N 3.23Å; V366-C370 VanDerWaalsContact O-N 3.07Å; C370-L372 VanDerWaalsContact C-N 3.29Å; C370-L372 PolarHBondContact O-N 3.16Å; C370-V373 HydrophobicContact CB-CB 4.09Å; C370-V373 HydrophobicContact CB-CG2 3.92Å; C370-V373 PolarHBondContact O-N 3.14Å; C370-K374 PolarHBondContact O-N 3.21Å; C370-S383 PolarHBondContact SG-OG 3.07Å; C370-Y385 HydrophobicContact CB-CD1 3.86Å; C370-Y385 HydrophobicContact CB-CE1 4.33Å; C370-I386 HydrophobicContact CB-CD1 3.8Å; C370-I386 HydrophobicContact CB-CG1 4.02Å
371S84.8Confident92.9Very high81 Ų8134.9 Ų34.957%0.56619%0.19SC*.Hα-helixtrans-57.6-39.7178.453.60000113.1V373 K374 E375S371-V373 PolarHBondContact O-N 3.25Å; S371-K374 VanDerWaalsContact O-CB 3.31Å; S371-K374 WeakPolarHBondContact O-CB 3.42Å; S371-K374 PolarHBondContact O-N 3.41Å; S371-K374 VanDerWaalsContact O-N 3.09Å; S371-E375 WeakPolarHBondContact O-CG 3.49Å; S371-E375 PolarHBondContact O-N 2.93Å
372L85.6Confident92.6Very high26 Ų2636.4 Ų36.414%0.13620%0.197CC..Hα-helixtrans-58.2-36.7176.9-179.269.3000112.3K169 C370 D376 N379K169-L372 HydrophobicContact CB-CD2 3.78Å; K169-L372 HydrophobicContact CD-CD2 4.17Å; K169-L372 HydrophobicContact CG-CD2 3.93Å; C370-L372 VanDerWaalsContact C-N 3.29Å; C370-L372 PolarHBondContact O-N 3.16Å; L372-D376 PolarHBondContact O-N 3.3Å; L372-D376 VanDerWaalsContact O-O 3.13Å; L372-N379 HydrophobicContact CD1-CB 4.34Å; L372-N379 HydrophobicContact CD2-CB 4.01Å; L372-N379 HydrophobicContact CG-CB 3.7Å; L372-N379 PolarHBondContact O-ND2 3.02Å; L372-N379 VanDerWaalsContact O-ND2 3.11Å
373V92.3Very high92.2Very high1 Ų136.4 Ų36.41%0.00620%0.197CC..Hα-helixtrans-82.1-30.1177.9-178.90000111.4V366 C370 S371 D376 L377 V380 I386V366-V373 HydrophobicContact CB-CG1 4.41Å; V366-V373 HydrophobicContact CG2-CG1 4Å; C370-V373 HydrophobicContact CB-CB 4.09Å; C370-V373 HydrophobicContact CB-CG2 3.92Å; C370-V373 PolarHBondContact O-N 3.14Å; S371-V373 PolarHBondContact O-N 3.25Å; V373-D376 CarbonylContact O-C 3.53Å; V373-D376 VanDerWaalsContact O-C 3.3Å; V373-L377 HydrophobicContact CG1-CD1 3.63Å; V373-L377 WeakPolarHBondContact O-CA 3.44Å; V373-L377 PolarHBondContact O-N 3.07Å; V373-V380 HydrophobicContact CG1-CB 4.16Å; V373-V380 HydrophobicContact CG1-CG2 4.38Å; V373-V380 HydrophobicContact CG2-CB 4.4Å; V373-I386 HydrophobicContact CG2-CG1 3.88Å
374K89.6Confident91.6Very high148 Ų14838.2 Ų38.264%0.64321%0.207SC*.Hα-helixtrans-62.5-45.2172.5-165.7174.2173.4172.40112.1D367 C370 S371D367-K374 VanDerWaalsContact O-CB 3.28Å; D367-K374 WeakPolarHBondContact O-CB 3.48Å; C370-K374 PolarHBondContact O-N 3.21Å; S371-K374 VanDerWaalsContact O-CB 3.31Å; S371-K374 WeakPolarHBondContact O-CB 3.42Å; S371-K374 PolarHBondContact O-N 3.41Å; S371-K374 VanDerWaalsContact O-N 3.09Å
375E88.6Confident91Very high147 Ų14742.2 Ų42.269%0.68722%0.223SC*.Hα-helixtrans-69-44.5180-72.9172-167.600111S371S371-E375 WeakPolarHBondContact O-CG 3.49Å; S371-E375 PolarHBondContact O-N 2.93Å
376D92.4Very high90.9Very high67 Ų6738.7 Ų38.736%0.35821%0.207SC..  trans-147.2111.9176.4172.77.5000110.6L372 V373 T378 N379L372-D376 PolarHBondContact O-N 3.3Å; L372-D376 VanDerWaalsContact O-O 3.13Å; V373-D376 CarbonylContact O-C 3.53Å; V373-D376 VanDerWaalsContact O-C 3.3Å; D376-T378 PolarHBondContact O-N 3.39Å; D376-T378 VanDerWaalsContact O-N 3.16Å; D376-T378 WeakPolarHBondContact OD1-CB 3.48Å; D376-T378 WeakPolarHBondContact OD1-CG2 3.22Å; D376-T378 PolarHBondContact OD1-N 3.33Å; D376-T378 PolarHBondContact OD1-OG1 2.97Å; D376-T378 PolarHBondContact OD2-OG1 3.11Å; D376-N379 WeakPolarHBondContact CB-ND2 3.32Å; D376-N379 VanDerWaalsContact O-CB 3.3Å; D376-N379 WeakPolarHBondContact O-CB 3.38Å; D376-N379 PolarHBondContact O-N 2.86Å; D376-N379 VanDerWaalsContact O-N 3.09Å; D376-N379 PolarHBondContact O-ND2 2.87Å
377L95.8Very high90.9Very high9 Ų941.2 Ų41.25%0.04722%0.218CC..G310 helixtrans-61.6-24.6-176.6-173.359.6000112.7V366 V373 N379 V380 R408 N419 C420 L423V366-L377 HydrophobicContact CG2-CD1 4.47Å; V373-L377 HydrophobicContact CG1-CD1 3.63Å; V373-L377 WeakPolarHBondContact O-CA 3.44Å; V373-L377 PolarHBondContact O-N 3.07Å; L377-N379 PolarHBondContact O-N 3.2Å; L377-N379 VanDerWaalsContact O-N 3.15Å; L377-V380 WeakPolarHBondContact O-CB 3.34Å; L377-V380 WeakPolarHBondContact O-CG1 3.42Å; L377-V380 PolarHBondContact O-N 3.27Å; L377-V380 VanDerWaalsContact O-N 3.08Å; L377-R408 HydrophobicContact CD1-CB 4.11Å; L377-R408 HydrophobicContact CD2-CB 4.26Å; L377-N419 HydrophobicContact CB-CB 4.38Å; L377-N419 HydrophobicContact CD2-CB 4.08Å; L377-C420 HydrophobicContact CD2-CB 4Å; L377-L423 HydrophobicContact CD1-CD1 3.73Å; L377-L423 HydrophobicContact CD2-CD1 3.99Å; L377-L423 HydrophobicContact CG-CD1 3.85Å
378T96.4Very high90.8Very high30 Ų3044.7 Ų44.718%0.18423%0.234CC..G310 helixtrans-64.2-20178.871.50000112.3W179 D376 V380W179-T378 HydrophobicContact CB-CG2 4.1Å; W179-T378 HydrophobicContact CD2-CG2 3.73Å; W179-T378 HydrophobicContact CE3-CG2 4.21Å; W179-T378 HydrophobicContact CG-CG2 3.68Å; D376-T378 PolarHBondContact O-N 3.39Å; D376-T378 VanDerWaalsContact O-N 3.16Å; D376-T378 WeakPolarHBondContact OD1-CB 3.48Å; D376-T378 WeakPolarHBondContact OD1-CG2 3.22Å; D376-T378 PolarHBondContact OD1-N 3.33Å; D376-T378 PolarHBondContact OD1-OG1 2.97Å; D376-T378 PolarHBondContact OD2-OG1 3.11Å; T378-V380 PolarHBondContact O-N 2.75Å
379N95.2Very high90.9Very high12 Ų1241.6 Ų41.66%0.06421%0.208CC..G310 helixtrans-74.2-3.2175.4-63.1-45.2000114.3K169 L372 D376 L377 Y381 Q382 S383K169-N379 WeakPolarHBondContact CE-OD1 3.44Å; K169-N379 PolarHBondContact NZ-OD1 2.82Å; L372-N379 HydrophobicContact CD1-CB 4.34Å; L372-N379 HydrophobicContact CD2-CB 4.01Å; L372-N379 HydrophobicContact CG-CB 3.7Å; L372-N379 PolarHBondContact O-ND2 3.02Å; L372-N379 VanDerWaalsContact O-ND2 3.11Å; D376-N379 WeakPolarHBondContact CB-ND2 3.32Å; D376-N379 VanDerWaalsContact O-CB 3.3Å; D376-N379 WeakPolarHBondContact O-CB 3.38Å; D376-N379 PolarHBondContact O-N 2.86Å; D376-N379 VanDerWaalsContact O-N 3.09Å; D376-N379 PolarHBondContact O-ND2 2.87Å; L377-N379 PolarHBondContact O-N 3.2Å; L377-N379 VanDerWaalsContact O-N 3.15Å; N379-Y381 PolarHBondContact O-N 2.74Å; N379-Y381 VanDerWaalsContact O-N 3.13Å; N379-Q382 CarbonylContact O-C 3.57Å; N379-Q382 PolarHBondContact O-N 2.68Å; N379-S383 PolarHBondContact O-N 2.82Å
380V97.3Very high91.5Very high0 Ų040.5 Ų40.50%020%0.199CC..G310 helixtrans-54.9-35.3-175.469.10000113.3W174 W179 V366 V373 L377 T378 I386 P406 L423W174-V380 WeakPolarHBondContact CH2-O 3.44Å; W174-V380 VanDerWaalsContact CZ2-O 3.27Å; W174-V380 WeakPolarHBondContact CZ2-O 3.18Å; W179-V380 HydrophobicContact CH2-CG1 3.97Å; W179-V380 HydrophobicContact CZ2-CG1 3.99Å; V366-V380 HydrophobicContact CG2-CG2 4.19Å; V373-V380 HydrophobicContact CG1-CB 4.16Å; V373-V380 HydrophobicContact CG1-CG2 4.38Å; V373-V380 HydrophobicContact CG2-CB 4.4Å; L377-V380 WeakPolarHBondContact O-CB 3.34Å; L377-V380 WeakPolarHBondContact O-CG1 3.42Å; L377-V380 PolarHBondContact O-N 3.27Å; L377-V380 VanDerWaalsContact O-N 3.08Å; T378-V380 PolarHBondContact O-N 2.75Å; V380-I386 HydrophobicContact CG2-CG2 4.18Å; V380-I386 WeakPolarHBondContact O-CG2 3.34Å; V380-P406 HydrophobicContact CG2-CB 3.73Å; V380-P406 HydrophobicContact CG2-CG 3.68Å; V380-L423 HydrophobicContact CG1-CD1 4.21Å; V380-L423 HydrophobicContact CG1-CD2 4.2Å
381Y97.1Very high91.9Very high17 Ų1744.3 Ų44.37%0.06722%0.216CC..G310 helixtrans-99.611.3177-68.1-57.7000114.4P173 W174 R175 V177 N379 M390 P406 L423P173-Y381 CarbonylContact C-O 3.54Å; P173-Y381 WeakPolarHBondContact CA-O 3.49Å; W174-Y381 AromaticContact CE2-CD1 3.79Å; W174-Y381 VanDerWaalsContact CE3-C 3.43Å; W174-Y381 VanDerWaalsContact CH2-CA 3.48Å; W174-Y381 VanDerWaalsContact CZ2-CA 3.47Å; W174-Y381 AromaticContact CZ2-CD1 3.87Å; W174-Y381 HydrophobicContact CZ2-CD1 3.87Å; W174-Y381 WeakPolarHBondContact CZ3-O 3.22Å; W174-Y381 PolarHBondContact N-O 2.75Å; W174-Y381 AromaticContact NE1-CD1 3.57Å; R175-Y381 HydrophobicContact CB-CD1 3.83Å; R175-Y381 HydrophobicContact CB-CD2 4.12Å; R175-Y381 HydrophobicContact CB-CE1 4.1Å; R175-Y381 HydrophobicContact CB-CE2 4.35Å; R175-Y381 HydrophobicContact CB-CG 3.83Å; R175-Y381 HydrophobicContact CG-CD1 4.17Å; R175-Y381 HydrophobicContact CG-CE1 4.22Å; R175-Y381 WeakPolarHBondContact O-CB 3.48Å; V177-Y381 HydrophobicContact CG2-CD2 3.41Å; V177-Y381 VanDerWaalsContact CG2-CD2 3.41Å; V177-Y381 HydrophobicContact CG2-CE2 3.4Å; V177-Y381 VanDerWaalsContact CG2-CE2 3.4Å; N379-Y381 PolarHBondContact O-N 2.74Å; N379-Y381 VanDerWaalsContact O-N 3.13Å; Y381-M390 HydrophobicContact CE1-SD 4.48Å; Y381-P406 HydrophobicContact CD1-CG 4.48Å; Y381-P406 HydrophobicContact CE1-CG 3.64Å; Y381-P406 VanDerWaalsContact OH-CD 3.28Å; Y381-P406 WeakPolarHBondContact OH-CD 3.34Å; Y381-L423 HydrophobicContact CE2-CD2 4.34Å
382Q93.8Very high92.2Very high32 Ų3243.2 Ų43.215%0.1520%0.202CC..THydrogen-bonded Turntrans-115.3-19.2170.1-62.4-179.6-74.300111.5K169 F170 E171 P173 W174 N379 I384K169-Q382 CarbonylContact C-O 3.42Å; K169-Q382 WeakPolarHBondContact CA-O 3.38Å; K169-Q382 HydrophobicContact CD-CB 3.99Å; K169-Q382 VanDerWaalsContact CE-NE2 3.26Å; K169-Q382 HydrophobicContact CG-CB 3.4Å; F170-Q382 WeakPolarHBondContact CD2-O 3.28Å; F170-Q382 PolarHBondContact N-O 2.9Å; E171-Q382 PolarHBondContact O-NE2 3.44Å; E171-Q382 VanDerWaalsContact O-NE2 3.13Å; P173-Q382 HydrophobicContact CB-CG 3.65Å; P173-Q382 HydrophobicContact CG-CG 4.48Å; W174-Q382 VanDerWaalsContact CZ3-CA 3.48Å; N379-Q382 CarbonylContact O-C 3.57Å; N379-Q382 PolarHBondContact O-N 2.68Å; Q382-I384 PolarHBondContact O-N 2.72Å
383S90.4Very high92.6Very high0 Ų042 Ų420%020%0.195CC..BIsolated β-bridgetrans-66.1112.4176.6178.70000114.2T168 W174 C370 N379 Y385 I386 K387T168-S383 WeakPolarHBondContact O-CA 3.47Å; W174-S383 WeakPolarHBondContact CH2-O 3.26Å; W174-S383 VanDerWaalsContact CZ3-C 3.44Å; W174-S383 WeakPolarHBondContact CZ3-O 3.31Å; C370-S383 PolarHBondContact SG-OG 3.07Å; N379-S383 PolarHBondContact O-N 2.82Å; S383-Y385 PolarHBondContact O-N 2.99Å; S383-I386 PolarHBondContact O-N 3.22Å; S383-I386 VanDerWaalsContact O-N 3.11Å; S383-I386 PolarHBondContact OG-N 3.16Å; S383-K387 PolarHBondContact O-N 2.89Å; S383-K387 VanDerWaalsContact O-N 3.14Å
384I85.6Confident92.8Very high38 Ų3843 Ų4320%0.19520%0.203CC..Hα-helixtrans-54.3-41.6176-72.1159.8000111.3V167 T168 F170 Q382 I386 K387 E388V167-I384 HydrophobicContact CB-CD1 4.36Å; V167-I384 HydrophobicContact CG1-CD1 3.6Å; V167-I384 WeakPolarHBondContact O-CD1 3.5Å; T168-I384 PolarHBondContact O-N 3.25Å; F170-I384 HydrophobicContact CD1-CG1 4.28Å; F170-I384 HydrophobicContact CD2-CG1 3.68Å; F170-I384 HydrophobicContact CE1-CG1 4.01Å; F170-I384 HydrophobicContact CE2-CB 4.17Å; F170-I384 HydrophobicContact CE2-CG1 3.39Å; F170-I384 HydrophobicContact CG-CG1 4.13Å; F170-I384 HydrophobicContact CZ-CB 4.47Å; F170-I384 HydrophobicContact CZ-CG1 3.57Å; Q382-I384 PolarHBondContact O-N 2.72Å; I384-I386 PolarHBondContact O-N 3.18Å; I384-K387 WeakPolarHBondContact O-CB 3.47Å; I384-K387 PolarHBondContact O-N 3.34Å; I384-E388 HydrophobicContact CG2-CG 4.48Å; I384-E388 WeakPolarHBondContact O-CG 3.2Å; I384-E388 PolarHBondContact O-N 3.17Å
385Y85.2Confident93Very high85 Ų8541.6 Ų41.633%0.33321%0.206SC..Hα-helixtrans-59.5-46.7178.2176.2-98.4000112.7A369 C370 S383 K387 E388 I389A369-Y385 HydrophobicContact CB-CE1 3.97Å; A369-Y385 WeakPolarHBondContact O-CE1 3.24Å; C370-Y385 HydrophobicContact CB-CD1 3.86Å; C370-Y385 HydrophobicContact CB-CE1 4.33Å; S383-Y385 PolarHBondContact O-N 2.99Å; Y385-K387 VanDerWaalsContact C-N 3.3Å; Y385-K387 PolarHBondContact O-N 2.66Å; Y385-E388 PolarHBondContact O-N 3.49Å; Y385-I389 HydrophobicContact CD1-CG1 4.2Å; Y385-I389 HydrophobicContact CD2-CG1 4.39Å; Y385-I389 HydrophobicContact CE1-CD1 4.46Å; Y385-I389 HydrophobicContact CE1-CG1 3.74Å; Y385-I389 HydrophobicContact CE2-CD1 4.07Å; Y385-I389 HydrophobicContact CE2-CG1 3.94Å; Y385-I389 WeakPolarHBondContact O-CG1 3.46Å; Y385-I389 PolarHBondContact O-N 3.1Å
386I94.2Very high93.2Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-63.2-39.2177.7-65.8-59.3000110.9W174 V366 C370 V373 V380 S383 I384 E388 I389 M390W174-I386 HydrophobicContact CH2-CB 4.33Å; W174-I386 HydrophobicContact CZ2-CG2 4.33Å; V366-I386 HydrophobicContact CB-CD1 3.89Å; V366-I386 HydrophobicContact CG1-CD1 4.15Å; C370-I386 HydrophobicContact CB-CD1 3.8Å; C370-I386 HydrophobicContact CB-CG1 4.02Å; V373-I386 HydrophobicContact CG2-CG1 3.88Å; V380-I386 HydrophobicContact CG2-CG2 4.18Å; V380-I386 WeakPolarHBondContact O-CG2 3.34Å; S383-I386 PolarHBondContact O-N 3.22Å; S383-I386 VanDerWaalsContact O-N 3.11Å; S383-I386 PolarHBondContact OG-N 3.16Å; I384-I386 PolarHBondContact O-N 3.18Å; I386-E388 VanDerWaalsContact C-N 3.35Å; I386-E388 PolarHBondContact O-N 3.03Å; I386-I389 PolarHBondContact O-N 2.99Å; I386-M390 HydrophobicContact CG2-CG 4.24Å; I386-M390 HydrophobicContact CG2-SD 4.01Å; I386-M390 WeakPolarHBondContact O-CB 3.4Å; I386-M390 VanDerWaalsContact O-CG 3.25Å; I386-M390 WeakPolarHBondContact O-CG 3.31Å; I386-M390 PolarHBondContact O-N 2.85Å
387K94.3Very high93.3Very high53 Ų5333.3 Ų33.323%0.2317%0.165CC..Hα-helixtrans-59.7-45.1175.7-168.6179.3-178.3176.70111.7F170 W174 S383 I384 Y385 M390 Q391F170-K387 HydrophobicContact CE2-CB 4.29Å; F170-K387 HydrophobicContact CE2-CD 3.43Å; F170-K387 VanDerWaalsContact CE2-CD 3.43Å; F170-K387 HydrophobicContact CZ-CD 3.61Å; W174-K387 HydrophobicContact CD2-CB 4.12Å; W174-K387 HydrophobicContact CD2-CD 3.82Å; W174-K387 HydrophobicContact CD2-CG 4.05Å; W174-K387 HydrophobicContact CE3-CB 4.07Å; W174-K387 HydrophobicContact CE3-CD 3.87Å; W174-K387 HydrophobicContact CE3-CG 4.32Å; W174-K387 HydrophobicContact CG-CD 4.08Å; W174-K387 HydrophobicContact CG-CG 4.46Å; W174-K387 HydrophobicContact CH2-CB 3.77Å; W174-K387 HydrophobicContact CZ2-CB 3.74Å; W174-K387 HydrophobicContact CZ2-CG 4.37Å; W174-K387 HydrophobicContact CZ3-CB 3.86Å; W174-K387 HydrophobicContact CZ3-CD 4.43Å; S383-K387 PolarHBondContact O-N 2.89Å; S383-K387 VanDerWaalsContact O-N 3.14Å; I384-K387 WeakPolarHBondContact O-CB 3.47Å; I384-K387 PolarHBondContact O-N 3.34Å; Y385-K387 VanDerWaalsContact C-N 3.3Å; Y385-K387 PolarHBondContact O-N 2.66Å; K387-M390 PolarHBondContact O-N 3.25Å; K387-Q391 WeakPolarHBondContact O-CG 3.34Å; K387-Q391 PolarHBondContact O-N 2.86Å
388E89.6Confident93.3Very high93 Ų9334.2 Ų34.244%0.43518%0.177SC..Hα-helixtrans-64.3-44.1177.2-70.6178.6171.500112.2I384 Y385 I386 M390 Q391 Q392I384-E388 HydrophobicContact CG2-CG 4.48Å; I384-E388 WeakPolarHBondContact O-CG 3.2Å; I384-E388 PolarHBondContact O-N 3.17Å; Y385-E388 PolarHBondContact O-N 3.49Å; I386-E388 VanDerWaalsContact C-N 3.35Å; I386-E388 PolarHBondContact O-N 3.03Å; E388-M390 VanDerWaalsContact C-N 3.32Å; E388-M390 PolarHBondContact O-N 3.25Å; E388-Q391 WeakPolarHBondContact O-CB 3.35Å; E388-Q391 PolarHBondContact O-N 2.97Å; E388-Q391 VanDerWaalsContact O-N 3.16Å; E388-Q392 WeakPolarHBondContact O-CG 3.49Å; E388-Q392 PolarHBondContact O-N 3.36Å
389I91.4Very high93.2Very high2 Ų233.4 Ų33.41%0.0117%0.171CC..Hα-helixtrans-62.4-41.2176.2-67.7-64000111A331 I334 L363 Y385 I386 Q391 Q392 A393A331-I389 HydrophobicContact CB-CG2 4.3Å; I334-I389 HydrophobicContact CB-CG2 4.02Å; I334-I389 HydrophobicContact CG1-CG2 3.74Å; I334-I389 HydrophobicContact CG2-CG2 4.39Å; L363-I389 HydrophobicContact CD1-CG2 4.33Å; L363-I389 HydrophobicContact CD2-CG2 3.86Å; Y385-I389 HydrophobicContact CD1-CG1 4.2Å; Y385-I389 HydrophobicContact CD2-CG1 4.39Å; Y385-I389 HydrophobicContact CE1-CD1 4.46Å; Y385-I389 HydrophobicContact CE1-CG1 3.74Å; Y385-I389 HydrophobicContact CE2-CD1 4.07Å; Y385-I389 HydrophobicContact CE2-CG1 3.94Å; Y385-I389 WeakPolarHBondContact O-CG1 3.46Å; Y385-I389 PolarHBondContact O-N 3.1Å; I386-I389 PolarHBondContact O-N 2.99Å; I389-Q391 VanDerWaalsContact C-N 3.34Å; I389-Q391 PolarHBondContact O-N 2.86Å; I389-Q392 PolarHBondContact O-N 2.84Å; I389-A393 WeakPolarHBondContact O-CB 3.32Å; I389-A393 PolarHBondContact O-N 3.25Å
390M96.7Very high93.3Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-63.5-38.9174-70.6177.567.400111.8L363 Y381 I386 K387 E388 A393 S394 L401 I404 P406L363-M390 HydrophobicContact CD2-CG 3.75Å; Y381-M390 HydrophobicContact CE1-SD 4.48Å; I386-M390 HydrophobicContact CG2-CG 4.24Å; I386-M390 HydrophobicContact CG2-SD 4.01Å; I386-M390 WeakPolarHBondContact O-CB 3.4Å; I386-M390 VanDerWaalsContact O-CG 3.25Å; I386-M390 WeakPolarHBondContact O-CG 3.31Å; I386-M390 PolarHBondContact O-N 2.85Å; K387-M390 PolarHBondContact O-N 3.25Å; E388-M390 VanDerWaalsContact C-N 3.32Å; E388-M390 PolarHBondContact O-N 3.25Å; M390-A393 PolarHBondContact O-N 2.9Å; M390-S394 WeakPolarHBondContact O-CB 3.37Å; M390-S394 PolarHBondContact O-N 2.77Å; M390-L401 HydrophobicContact CB-CD1 3.58Å; M390-L401 HydrophobicContact CE-CD1 4.22Å; M390-I404 HydrophobicContact CB-CG2 4.37Å; M390-I404 HydrophobicContact CE-CB 3.83Å; M390-I404 HydrophobicContact CE-CG2 3.82Å; M390-I404 WeakPolarHBondContact CE-O 3.3Å; M390-I404 HydrophobicContact CG-CG2 4.11Å; M390-I404 VanDerWaalsContact O-CD1 3.29Å; M390-I404 WeakPolarHBondContact O-CD1 3.24Å; M390-P406 HydrophobicContact SD-CG 4.06Å
391Q93.7Very high93.1Very high90 Ų9038.9 Ų38.942%0.42120%0.204SC..Hα-helixtrans-63.7-43.1173.9-73.8170.4-31.900111.6K387 E388 I389 A393 S394 T395 L401K387-Q391 WeakPolarHBondContact O-CG 3.34Å; K387-Q391 PolarHBondContact O-N 2.86Å; E388-Q391 WeakPolarHBondContact O-CB 3.35Å; E388-Q391 PolarHBondContact O-N 2.97Å; E388-Q391 VanDerWaalsContact O-N 3.16Å; I389-Q391 VanDerWaalsContact C-N 3.34Å; I389-Q391 PolarHBondContact O-N 2.86Å; Q391-A393 PolarHBondContact O-N 3.1Å; Q391-S394 WeakPolarHBondContact O-CB 3.13Å; Q391-S394 PolarHBondContact O-N 3.42Å; Q391-T395 PolarHBondContact O-N 2.78Å; Q391-T395 PolarHBondContact O-OG1 2.85Å; Q391-L401 HydrophobicContact CG-CD1 4.34Å; Q391-L401 HydrophobicContact CG-CD2 4.24Å
392Q90.7Very high93Very high58 Ų5842.2 Ų42.227%0.27123%0.23SC..Hα-helixtrans-62-44.3174.9-69176.33700111.6I334 S335 E388 I389 S394 T395 K396I334-Q392 HydrophobicContact CG2-CB 3.62Å; S335-Q392 PolarHBondContact OG-OE1 3.1Å; E388-Q392 WeakPolarHBondContact O-CG 3.49Å; E388-Q392 PolarHBondContact O-N 3.36Å; I389-Q392 PolarHBondContact O-N 2.84Å; Q392-S394 VanDerWaalsContact C-N 3.31Å; Q392-S394 PolarHBondContact O-N 2.87Å; Q392-T395 PolarHBondContact O-N 3.08Å; Q392-K396 WeakPolarHBondContact O-CB 3.47Å; Q392-K396 WeakPolarHBondContact O-CG 3.38Å; Q392-K396 PolarHBondContact O-N 3.15Å
393A95.3Very high93.2Very high0 Ų042.3 Ų42.30%023%0.234CC..Hα-helixtrans-60.7-41.5175.600000111.5L329 I334 I389 M390 Q391 T395 K396 V397 I404L329-A393 HydrophobicContact CD1-CB 4.3Å; I334-A393 HydrophobicContact CD1-CB 4.1Å; I334-A393 HydrophobicContact CG1-CB 4.44Å; I334-A393 HydrophobicContact CG2-CB 4.27Å; I389-A393 WeakPolarHBondContact O-CB 3.32Å; I389-A393 PolarHBondContact O-N 3.25Å; M390-A393 PolarHBondContact O-N 2.9Å; Q391-A393 PolarHBondContact O-N 3.1Å; A393-T395 PolarHBondContact O-N 3.47Å; A393-K396 PolarHBondContact O-N 3.48Å; A393-V397 WeakPolarHBondContact O-CG2 3.02Å; A393-V397 PolarHBondContact O-N 2.87Å; A393-I404 HydrophobicContact CB-CD1 4.17Å
394S95.9Very high93.6Very high23 Ų2342.3 Ų42.316%0.16123%0.234CC..Iπ-helixtrans-57.5-47174177.10000111.7M390 Q391 Q392 G398 I399 L401M390-S394 WeakPolarHBondContact O-CB 3.37Å; M390-S394 PolarHBondContact O-N 2.77Å; Q391-S394 WeakPolarHBondContact O-CB 3.13Å; Q391-S394 PolarHBondContact O-N 3.42Å; Q392-S394 VanDerWaalsContact C-N 3.31Å; Q392-S394 PolarHBondContact O-N 2.87Å; S394-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 2.94Å; S394-I399 WeakPolarHBondContact CA-O 3.45Å; S394-I399 WeakPolarHBondContact CB-O 3.39Å; S394-I399 PolarHBondContact O-N 3.24Å; S394-I399 PolarHBondContact OG-O 3.35Å; S394-L401 PolarHBondContact OG-N 3.13Å
395T93.8Very high94.2Very high117 Ų11740.8 Ų40.872%0.71823%0.226SC*.Iπ-helixtrans-65.9-45.6177.5-56.60000112.6Q391 Q392 A393 G398Q391-T395 PolarHBondContact O-N 2.78Å; Q391-T395 PolarHBondContact O-OG1 2.85Å; Q392-T395 PolarHBondContact O-N 3.08Å; A393-T395 PolarHBondContact O-N 3.47Å; T395-G398 PolarHBondContact O-N 2.91Å
396K91.9Very high94.8Very high40 Ų4036.7 Ų36.717%0.17421%0.21CC..Iπ-helixtrans-68.9-44.1-174.4-72.2-177.5177.2-134.20113.2I334 S335 M337 E342 Q392 A393I334-K396 HydrophobicContact CG2-CD 4.28Å; I334-K396 WeakPolarHBondContact O-CD 3.45Å; I334-K396 WeakPolarHBondContact O-CE 3.37Å; I334-K396 PolarHBondContact O-NZ 3.25Å; S335-K396 PolarHBondContact O-NZ 2.81Å; M337-K396 HydrophobicContact CB-CD 4.2Å; M337-K396 HydrophobicContact SD-CD 4.28Å; E342-K396 HydrophobicContact CG-CB 4.31Å; E342-K396 HydrophobicContact CG-CD 4.37Å; E342-K396 HydrophobicContact CG-CG 4.33Å; E342-K396 WeakPolarHBondContact OE1-CD 3.35Å; E342-K396 WeakPolarHBondContact OE1-CE 3.34Å; E342-K396 IonicContact OE1-NZ 3Å; E342-K396 PolarHBondContact OE1-NZ 3.43Å; Q392-K396 WeakPolarHBondContact O-CB 3.47Å; Q392-K396 WeakPolarHBondContact O-CG 3.38Å; Q392-K396 PolarHBondContact O-N 3.15Å; A393-K396 PolarHBondContact O-N 3.48Å
397V95.5Very high95Very high0 Ų036.7 Ų36.70%021%0.21CC..Iπ-helixtrans-76.9-35.2173.7-173.10000109.9Y327 L329 L345 R349 V361 A393 I399Y327-V397 HydrophobicContact CD1-CG1 4.45Å; Y327-V397 HydrophobicContact CD2-CG1 3.78Å; Y327-V397 HydrophobicContact CE2-CG1 3.88Å; Y327-V397 HydrophobicContact CG-CG1 4.08Å; L329-V397 HydrophobicContact CD1-CG2 3.61Å; L345-V397 HydrophobicContact CD1-CG2 4.43Å; R349-V397 WeakPolarHBondContact CD-O 3.41Å; R349-V397 VanDerWaalsContact CZ-O 3.27Å; R349-V397 PolarHBondContact NE-O 2.86Å; R349-V397 VanDerWaalsContact NE-O 3.13Å; R349-V397 PolarHBondContact NH1-O 3.33Å; V361-V397 HydrophobicContact CG2-CB 4.45Å; V361-V397 HydrophobicContact CG2-CG1 4.35Å; V361-V397 HydrophobicContact CG2-CG2 4.07Å; A393-V397 WeakPolarHBondContact O-CG2 3.02Å; A393-V397 PolarHBondContact O-N 2.87Å; V397-I399 HydrophobicContact CB-CG1 4.4Å; V397-I399 HydrophobicContact CG1-CG1 4.3Å; V397-I399 HydrophobicContact CG1-CG2 4.04Å
398G94.7Very high95.1Very high29 Ų2936.8 Ų36.830%0.29921%0.209SC..Iπ-helixtrans75.348.4-176.100000112.3R349 S394 T395R349-G398 WeakPolarHBondContact CD-O 3.36Å; R349-G398 PolarHBondContact NH1-O 3.2Å; S394-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 2.94Å; T395-G398 PolarHBondContact O-N 2.91Å
399I95.4Very high95.4Very high12 Ų1233 Ų336%0.06219%0.192CC..  trans-122.4154.3169.265.7163.3000109.9Q359 V361 S394 V397 C403 I404Q359-I399 HydrophobicContact CB-CG2 4.36Å; V361-I399 HydrophobicContact CB-CD1 3.91Å; V361-I399 HydrophobicContact CG2-CD1 3.26Å; V361-I399 HydrophobicContact CG2-CG1 3.96Å; S394-I399 WeakPolarHBondContact CA-O 3.45Å; S394-I399 WeakPolarHBondContact CB-O 3.39Å; S394-I399 PolarHBondContact O-N 3.24Å; S394-I399 PolarHBondContact OG-O 3.35Å; V397-I399 HydrophobicContact CB-CG1 4.4Å; V397-I399 HydrophobicContact CG1-CG1 4.3Å; V397-I399 HydrophobicContact CG1-CG2 4.04Å; I399-C403 HydrophobicContact CD1-CB 3.96Å; I399-I404 HydrophobicContact CD1-CG1 4.36Å; I399-I404 HydrophobicContact CG1-CG1 4.48Å
400P96Very high95.6Very high77 Ų7733.3 Ų33.350%0.519%0.193SC..  trans-59.1146.5-178.6-24.334.9000112.8S402 C403P400-S402 PolarHBondContact O-N 2.87Å; P400-C403 WeakPolarHBondContact O-CB 3.39Å; P400-C403 PolarHBondContact O-N 3.45Å
401L94.6Very high95.1Very high51 Ų5137.7 Ų37.727%0.26722%0.22SC..G310 helixtrans-55.6-35.8177-175.264.9000111.9R175 M390 Q391 S394 C403 I404R175-L401 PolarHBondContact NH2-O 3.12Å; M390-L401 HydrophobicContact CB-CD1 3.58Å; M390-L401 HydrophobicContact CE-CD1 4.22Å; Q391-L401 HydrophobicContact CG-CD1 4.34Å; Q391-L401 HydrophobicContact CG-CD2 4.24Å; S394-L401 PolarHBondContact OG-N 3.13Å; L401-C403 PolarHBondContact O-N 3.33Å; L401-I404 HydrophobicContact CD1-CD1 4.38Å; L401-I404 WeakPolarHBondContact O-CB 3.24Å; L401-I404 PolarHBondContact O-N 3.12Å
402S95Very high94.6Very high86 Ų8641 Ų4160%0.60124%0.235SC*.G310 helixtrans-57.4-27176.250.70000113.4P400 I404P400-S402 PolarHBondContact O-N 2.87Å; S402-I404 VanDerWaalsContact C-N 3.29Å; S402-I404 PolarHBondContact O-N 3.14Å
403C97Very high94.3Very high34 Ų3440.7 Ų40.723%0.2324%0.237CC..G310 helixtrans-90.520.9177.8-57.60000112.9L360 V361 I399 P400 L401L360-C403 CarbonylContact C-O 3.55Å; L360-C403 WeakPolarHBondContact CA-O 3.49Å; L360-C403 WeakPolarHBondContact CG-O 3.44Å; V361-C403 PolarHBondContact N-O 3.08Å; I399-C403 HydrophobicContact CD1-CB 3.96Å; P400-C403 WeakPolarHBondContact O-CB 3.39Å; P400-C403 PolarHBondContact O-N 3.45Å; L401-C403 PolarHBondContact O-N 3.33Å
404I98.3Very high93.9Very high0 Ų047.6 Ų47.60%027%0.273CS..EExtended strand (participates in β ladder)trans-118.7124.1178.4-51-169.2000109R175 V361 L363 M390 A393 I399 L401 S402R175-I404 PolarHBondContact NH1-O 2.85Å; V361-I404 HydrophobicContact CB-CB 4.36Å; V361-I404 HydrophobicContact CB-CG1 4.05Å; V361-I404 HydrophobicContact CB-CG2 4.1Å; V361-I404 HydrophobicContact CG1-CG2 3.88Å; V361-I404 CarbonylContact O-C 3.46Å; V361-I404 WeakPolarHBondContact O-CA 3.17Å; L363-I404 HydrophobicContact CB-CG2 4.35Å; M390-I404 HydrophobicContact CB-CG2 4.37Å; M390-I404 HydrophobicContact CE-CB 3.83Å; M390-I404 HydrophobicContact CE-CG2 3.82Å; M390-I404 WeakPolarHBondContact CE-O 3.3Å; M390-I404 HydrophobicContact CG-CG2 4.11Å; M390-I404 VanDerWaalsContact O-CD1 3.29Å; M390-I404 WeakPolarHBondContact O-CD1 3.24Å; A393-I404 HydrophobicContact CB-CD1 4.17Å; I399-I404 HydrophobicContact CD1-CG1 4.36Å; I399-I404 HydrophobicContact CG1-CG1 4.48Å; L401-I404 HydrophobicContact CD1-CD1 4.38Å; L401-I404 WeakPolarHBondContact O-CB 3.24Å; L401-I404 PolarHBondContact O-N 3.12Å; S402-I404 VanDerWaalsContact C-N 3.29Å; S402-I404 PolarHBondContact O-N 3.14Å
405V98.3Very high93.7Very high6 Ų652.9 Ų52.94%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-119.8113-179.9-172.60000109.6L360 V361 V362 L363 V407 A427 Q430L360-V405 HydrophobicContact CD2-CG2 4.14Å; V361-V405 PolarHBondContact O-N 3.27Å; V362-V405 WeakPolarHBondContact CA-O 3.36Å; L363-V405 PolarHBondContact N-O 2.82Å; V405-V407 HydrophobicContact CG1-CG1 4.28Å; V405-A427 HydrophobicContact CB-CB 4.34Å; V405-A427 HydrophobicContact CG1-CB 3.88Å; V405-Q430 HydrophobicContact CG2-CB 4.3Å; V405-Q430 HydrophobicContact CG2-CG 4.17Å
406P98.3Very high93.8Very high0 Ų049.5 Ų49.50%028%0.277CS..EExtended strand (participates in β ladder)trans-72.2137.5171.530.5-32.3000111L363 V366 V380 Y381 M390L363-P406 CarbonylContact O-C 3.5Å; L363-P406 WeakPolarHBondContact O-CA 3.5Å; V366-P406 HydrophobicContact CG1-CB 3.7Å; V380-P406 HydrophobicContact CG2-CB 3.73Å; V380-P406 HydrophobicContact CG2-CG 3.68Å; Y381-P406 HydrophobicContact CD1-CG 4.48Å; Y381-P406 HydrophobicContact CE1-CG 3.64Å; Y381-P406 VanDerWaalsContact OH-CD 3.28Å; Y381-P406 WeakPolarHBondContact OH-CD 3.34Å; M390-P406 HydrophobicContact SD-CG 4.06Å
407V98.4Very high94Very high0 Ų050.4 Ų50.40%028%0.284CS..  trans-139.4152.5178.1-55.40000111.3F219 V362 L363 T364 V405 L424 A427F219-V407 HydrophobicContact CD2-CG2 4.07Å; F219-V407 HydrophobicContact CE2-CG1 4.28Å; F219-V407 HydrophobicContact CE2-CG2 4.26Å; V362-V407 HydrophobicContact CG1-CB 4.35Å; V362-V407 HydrophobicContact CG1-CG1 4.06Å; V362-V407 HydrophobicContact CG1-CG2 3.35Å; L363-V407 PolarHBondContact O-N 2.71Å; T364-V407 WeakPolarHBondContact CA-O 3.26Å; T364-V407 HydrophobicContact CG2-CG2 3.93Å; V405-V407 HydrophobicContact CG1-CG1 4.28Å; V407-L424 HydrophobicContact CB-CD2 4.27Å; V407-A427 HydrophobicContact CG1-CB 3.88Å
408R97Very high94.1Very high54 Ų5452.6 Ų52.620%0.20430%0.297CS..  trans-105.1133.1163.2-178.8178.2-176.1-147.9-6.3108D367 L377 C420D367-R408 HydrophobicContact CB-CG 4.33Å; D367-R408 WeakPolarHBondContact OD2-CD 3.08Å; D367-R408 IonicContact OD2-CZ 3.92Å; D367-R408 IonicContact OD2-NE 3.12Å; D367-R408 PolarHBondContact OD2-NE 2.96Å; L377-R408 HydrophobicContact CD1-CB 4.11Å; L377-R408 HydrophobicContact CD2-CB 4.26Å; R408-C420 PolarHBondContact O-SG 3.13Å
409N96.4Very high94.2Very high13 Ų1352.9 Ų52.97%0.0729%0.292CS..  trans-96.4150.8175.6-71.4-16.3000109.6G215 F219 S222 T411G215-N409 PolarHBondContact O-ND2 3.23Å; F219-N409 PolarHBondContact N-ND2 3.25Å; S222-N409 WeakPolarHBondContact OG-CA 3.41Å; S222-N409 WeakPolarHBondContact OG-CB 3.21Å; N409-T411 HydrophobicContact CB-CG2 4.06Å; N409-T411 PolarHBondContact O-N 3.03Å; N409-T411 VanDerWaalsContact O-N 3.07Å
410Y94.3Very high94.3Very high10 Ų1052.3 Ų52.34%0.03929%0.289CS..  trans-75.692.7169.4-67.1-66000110S222 V226 V231 T413 L416 D417 C420 D421 L424S222-Y410 PolarHBondContact OG-N 3.24Å; V226-Y410 HydrophobicContact CG2-CE2 4.34Å; V231-Y410 HydrophobicContact CG2-CD1 4.33Å; V231-Y410 HydrophobicContact CG2-CG 4.19Å; Y410-T413 WeakPolarHBondContact CD1-OG1 3.47Å; Y410-L416 HydrophobicContact CD2-CD2 4.03Å; Y410-L416 HydrophobicContact CE1-CD2 4.23Å; Y410-L416 HydrophobicContact CE2-CD2 3.5Å; Y410-D417 PolarHBondContact OH-N 2.81Å; Y410-D417 PolarHBondContact OH-O 3.34Å; Y410-C420 HydrophobicContact CE1-CB 4.06Å; Y410-C420 VanDerWaalsContact CZ-SG 3.56Å; Y410-C420 WeakPolarHBondContact OH-CB 3.43Å; Y410-D421 WeakPolarHBondContact CE2-OD1 3.42Å; Y410-D421 PolarHBondContact OH-OD1 2.85Å; Y410-L424 HydrophobicContact CD2-CD1 3.99Å; Y410-L424 HydrophobicContact CE2-CD1 3.69Å
411T87.4Confident94.5Very high92 Ų9248.7 Ų48.756%0.56427%0.266SS*.SBendtrans-118.3-23.3178.354.80000113.9N409N409-T411 HydrophobicContact CB-CG2 4.06Å; N409-T411 PolarHBondContact O-N 3.03Å; N409-T411 VanDerWaalsContact O-N 3.07Å
412E82.3Confident94.7Very high158 Ų15846.3 Ų46.374%0.73825%0.253SS*.SBendtrans-118.8-29.1-175.6-62.3-179.6177.800113
413T83.9Confident94.8Very high52 Ų5242.2 Ų42.232%0.31922%0.224SC..  trans-94.6152.4-176.464.20000111.7Y410 D415Y410-T413 WeakPolarHBondContact CD1-OG1 3.47Å; T413-D415 PolarHBondContact OG1-O 3.37Å
414L87.2Confident94.9Very high145 Ų14540.6 Ų40.676%0.75921%0.214SC*.SBendtrans-98.1-25.5175.8-61.2178.2000112.5V231V231-L414 WeakPolarHBondContact CB-O 3.24Å; V231-L414 WeakPolarHBondContact CG2-O 3.34Å
415D92Very high94.9Very high134 Ų13440.6 Ų40.672%0.71721%0.214SC*.SBendtrans-95.6150.9178-60.1-56.8000111.5T413T413-D415 PolarHBondContact OG1-O 3.37Å
416L95.2Very high94.9Very high47 Ų4741.6 Ų41.625%0.24622%0.22CC..  trans-78.7144.8173.2-61.3178.9000110.6G229 V231 Y410G229-L416 VanDerWaalsContact C-CD1 3.47Å; V231-L416 HydrophobicContact CG2-CD2 4.23Å; Y410-L416 HydrophobicContact CD2-CD2 4.03Å; Y410-L416 HydrophobicContact CE1-CD2 4.23Å; Y410-L416 HydrophobicContact CE2-CD2 3.5Å
417D96.6Very high94.9Very high59 Ų5941.6 Ų41.632%0.31622%0.22SC..  trans-119.2132.6175.9169.6-111.6000109.8Y410 N419 C420 D421Y410-D417 PolarHBondContact OH-N 2.81Å; Y410-D417 PolarHBondContact OH-O 3.34Å; D417-N419 VanDerWaalsContact C-N 3.3Å; D417-N419 PolarHBondContact O-N 2.8Å; D417-N419 WeakPolarHBondContact OD1-CB 3.33Å; D417-N419 PolarHBondContact OD1-N 3.09Å; D417-C420 HydrophobicContact CB-CB 3.92Å; D417-C420 PolarHBondContact O-N 3.19Å; D417-C420 WeakPolarHBondContact OD1-CB 3.19Å; D417-C420 PolarHBondContact OD1-N 2.96Å; D417-D421 WeakPolarHBondContact O-CB 3.42Å; D417-D421 PolarHBondContact O-N 3.44Å
418V97.9Very high94.9Very high46 Ų4641.6 Ų41.628%0.27922%0.22SC..Hα-helixtrans-62.5-38.7-175174.80000111.5K184 D421 I422K184-V418 HydrophobicContact CB-CG1 4.33Å; K184-V418 HydrophobicContact CD-CG1 4.33Å; V418-D421 PolarHBondContact O-N 3.46Å; V418-I422 HydrophobicContact CG1-CD1 3.88Å; V418-I422 WeakPolarHBondContact O-CD1 2.9Å; V418-I422 VanDerWaalsContact O-CG1 3.23Å; V418-I422 WeakPolarHBondContact O-CG1 3.1Å; V418-I422 PolarHBondContact O-N 3.06Å
419N97.8Very high95Very high35 Ų3539.1 Ų39.119%0.18721%0.212CC..Hα-helixtrans-70.4-41.3-179.1-62.6-29.5000111W179 L377 D417 I422 L423W179-N419 HydrophobicContact CE3-CB 3.73Å; W179-N419 HydrophobicContact CZ3-CB 3.84Å; W179-N419 WeakPolarHBondContact CZ3-O 3.43Å; L377-N419 HydrophobicContact CB-CB 4.38Å; L377-N419 HydrophobicContact CD2-CB 4.08Å; D417-N419 VanDerWaalsContact C-N 3.3Å; D417-N419 PolarHBondContact O-N 2.8Å; D417-N419 WeakPolarHBondContact OD1-CB 3.33Å; D417-N419 PolarHBondContact OD1-N 3.09Å; N419-I422 PolarHBondContact O-N 3.48Å; N419-L423 PolarHBondContact O-N 2.87Å
420C97.5Very high95Very high0 Ų041.9 Ų41.90%022%0.224CC..Hα-helixtrans-59.8-46.4173.3-169.40000111.4L377 R408 Y410 D417 I422 L423 L424L377-C420 HydrophobicContact CD2-CB 4Å; R408-C420 PolarHBondContact O-SG 3.13Å; Y410-C420 HydrophobicContact CE1-CB 4.06Å; Y410-C420 VanDerWaalsContact CZ-SG 3.56Å; Y410-C420 WeakPolarHBondContact OH-CB 3.43Å; D417-C420 HydrophobicContact CB-CB 3.92Å; D417-C420 PolarHBondContact O-N 3.19Å; D417-C420 WeakPolarHBondContact OD1-CB 3.19Å; D417-C420 PolarHBondContact OD1-N 2.96Å; C420-I422 VanDerWaalsContact C-N 3.35Å; C420-I422 PolarHBondContact O-N 3.41Å; C420-L423 PolarHBondContact O-N 2.59Å; C420-L424 WeakPolarHBondContact O-CG 3.48Å; C420-L424 PolarHBondContact O-N 2.72Å; C420-L424 VanDerWaalsContact O-N 3.09Å
421D98.4Very high95.2Very high1 Ų141.4 Ų41.41%0.00522%0.222CC..Hα-helixtrans-58.1-45.1176.6-67.6-17.2000111.8K184 V226 Y410 D417 V418 L423 L424 L425K184-D421 HydrophobicContact CD-CB 3.86Å; K184-D421 WeakPolarHBondContact CE-OD2 3.43Å; K184-D421 HydrophobicContact CG-CB 4.21Å; K184-D421 IonicContact NZ-OD2 3.67Å; K184-D421 PolarHBondContact NZ-OD2 3Å; V226-D421 HydrophobicContact CG1-CB 3.96Å; V226-D421 HydrophobicContact CG2-CB 4.31Å; V226-D421 VanDerWaalsContact CG2-OD1 3.27Å; V226-D421 WeakPolarHBondContact CG2-OD1 3.18Å; Y410-D421 WeakPolarHBondContact CE2-OD1 3.42Å; Y410-D421 PolarHBondContact OH-OD1 2.85Å; D417-D421 WeakPolarHBondContact O-CB 3.42Å; D417-D421 PolarHBondContact O-N 3.44Å; V418-D421 PolarHBondContact O-N 3.46Å; D421-L423 VanDerWaalsContact C-N 3.32Å; D421-L423 PolarHBondContact O-N 2.84Å; D421-L424 PolarHBondContact O-N 2.84Å; D421-L425 HydrophobicContact CB-CD1 4.46Å; D421-L425 WeakPolarHBondContact O-CB 3.17Å; D421-L425 WeakPolarHBondContact O-CD1 3.16Å; D421-L425 WeakPolarHBondContact O-CG 3.38Å; D421-L425 PolarHBondContact O-N 3.09Å
422I98.7Very high95.7Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-58.6-43179-72.3161.9000111.3V177 T178 W179 K184 L187 V418 N419 C420 S426V177-I422 HydrophobicContact CG1-CG2 3.6Å; T178-I422 WeakPolarHBondContact O-CD1 3.18Å; W179-I422 HydrophobicContact CE3-CB 4.4Å; W179-I422 HydrophobicContact CE3-CD1 4.2Å; W179-I422 HydrophobicContact CE3-CG2 4.27Å; W179-I422 HydrophobicContact CZ3-CB 4.36Å; W179-I422 HydrophobicContact CZ3-CG2 4.23Å; K184-I422 HydrophobicContact CB-CG1 3.95Å; L187-I422 HydrophobicContact CD1-CG2 4.23Å; V418-I422 HydrophobicContact CG1-CD1 3.88Å; V418-I422 WeakPolarHBondContact O-CD1 2.9Å; V418-I422 VanDerWaalsContact O-CG1 3.23Å; V418-I422 WeakPolarHBondContact O-CG1 3.1Å; V418-I422 PolarHBondContact O-N 3.06Å; N419-I422 PolarHBondContact O-N 3.48Å; C420-I422 VanDerWaalsContact C-N 3.35Å; C420-I422 PolarHBondContact O-N 3.41Å; I422-S426 WeakPolarHBondContact O-CB 3.27Å; I422-S426 PolarHBondContact O-N 3.29Å; I422-S426 PolarHBondContact O-OG 2.76Å
423L98.4Very high96.3Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-66.2-43.9177.7-70.4-176.2000112.3W179 L377 V380 Y381 N419 C420 D421 S426 A427W179-L423 HydrophobicContact CH2-CD1 4.22Å; W179-L423 HydrophobicContact CH2-CD2 3.65Å; W179-L423 HydrophobicContact CH2-CG 3.82Å; W179-L423 HydrophobicContact CZ3-CD2 4.21Å; W179-L423 HydrophobicContact CZ3-CG 4.02Å; L377-L423 HydrophobicContact CD1-CD1 3.73Å; L377-L423 HydrophobicContact CD2-CD1 3.99Å; L377-L423 HydrophobicContact CG-CD1 3.85Å; V380-L423 HydrophobicContact CG1-CD1 4.21Å; V380-L423 HydrophobicContact CG1-CD2 4.2Å; Y381-L423 HydrophobicContact CE2-CD2 4.34Å; N419-L423 PolarHBondContact O-N 2.87Å; C420-L423 PolarHBondContact O-N 2.59Å; D421-L423 VanDerWaalsContact C-N 3.32Å; D421-L423 PolarHBondContact O-N 2.84Å; L423-S426 PolarHBondContact O-N 3.2Å; L423-A427 PolarHBondContact O-N 3.26Å
424L98.6Very high96.9Very high1 Ų133 Ų331%0.00517%0.17CC..Hα-helixtrans-63.4-46.5178.2-68.9167.3000111.6F219 V223 V226 V407 Y410 C420 D421 A427 I428F219-L424 HydrophobicContact CD2-CD2 3.84Å; F219-L424 HydrophobicContact CE2-CD2 3.79Å; V223-L424 HydrophobicContact CG2-CB 4.29Å; V223-L424 HydrophobicContact CG2-CD2 4.26Å; V226-L424 HydrophobicContact CG2-CB 4.48Å; V226-L424 HydrophobicContact CG2-CD1 3.99Å; V407-L424 HydrophobicContact CB-CD2 4.27Å; Y410-L424 HydrophobicContact CD2-CD1 3.99Å; Y410-L424 HydrophobicContact CE2-CD1 3.69Å; C420-L424 WeakPolarHBondContact O-CG 3.48Å; C420-L424 PolarHBondContact O-N 2.72Å; C420-L424 VanDerWaalsContact O-N 3.09Å; D421-L424 PolarHBondContact O-N 2.84Å; L424-A427 WeakPolarHBondContact O-CB 3.37Å; L424-A427 PolarHBondContact O-N 2.85Å; L424-I428 PolarHBondContact O-N 3.36Å; L424-I428 VanDerWaalsContact O-N 3.14Å
425L98.6Very high97.3Very high0 Ų026.1 Ų26.10%013%0.133CC..Hα-helixtrans-67.5-36.6178-66167.9000111.8K184 L187 M188 I191 V226 F227 D421 A427 I428 T429K184-L425 HydrophobicContact CG-CD1 3.86Å; L187-L425 HydrophobicContact CB-CB 3.87Å; L187-L425 HydrophobicContact CB-CD1 4.17Å; L187-L425 HydrophobicContact CD1-CB 4.01Å; M188-L425 HydrophobicContact CG-CD1 3.54Å; M188-L425 HydrophobicContact CG-CD2 3.89Å; M188-L425 HydrophobicContact CG-CG 4.39Å; M188-L425 HydrophobicContact SD-CD1 4.45Å; I191-L425 HydrophobicContact CD1-CB 4.17Å; I191-L425 HydrophobicContact CD1-CD2 3.7Å; V226-L425 HydrophobicContact CG1-CD1 4Å; V226-L425 HydrophobicContact CG1-CD2 4.05Å; V226-L425 HydrophobicContact CG1-CG 4.09Å; F227-L425 HydrophobicContact CE1-CD2 4.3Å; F227-L425 HydrophobicContact CE2-CD2 3.9Å; F227-L425 HydrophobicContact CZ-CD2 3.6Å; D421-L425 HydrophobicContact CB-CD1 4.46Å; D421-L425 WeakPolarHBondContact O-CB 3.17Å; D421-L425 WeakPolarHBondContact O-CD1 3.16Å; D421-L425 WeakPolarHBondContact O-CG 3.38Å; D421-L425 PolarHBondContact O-N 3.09Å; L425-A427 VanDerWaalsContact C-N 3.32Å; L425-A427 PolarHBondContact O-N 3.21Å; L425-I428 PolarHBondContact O-N 3.45Å; L425-T429 WeakPolarHBondContact O-CB 3.26Å; L425-T429 PolarHBondContact O-N 3.39Å; L425-T429 PolarHBondContact O-OG1 2.99Å
426S98.2Very high97.5Very high26 Ų2621.1 Ų21.118%0.18211%0.106CC..Hα-helixtrans-61.8-41.4173.2-66.80000111.3I422 L423 T429 Q430I422-S426 WeakPolarHBondContact O-CB 3.27Å; I422-S426 PolarHBondContact O-N 3.29Å; I422-S426 PolarHBondContact O-OG 2.76Å; L423-S426 PolarHBondContact O-N 3.2Å; S426-T429 PolarHBondContact O-N 3.11Å; S426-Q430 WeakPolarHBondContact O-CG 3.25Å; S426-Q430 PolarHBondContact O-N 3.4Å
427A98.4Very high97.4Very high0 Ų023.2 Ų23.20%012%0.118CC..Hα-helixtrans-61-47.3175.500000111.7F219 V362 V405 V407 L423 L424 L425 T429 Q430 M431F219-A427 HydrophobicContact CE2-CB 4.18Å; F219-A427 HydrophobicContact CZ-CB 4.05Å; V362-A427 HydrophobicContact CG2-CB 4.29Å; V405-A427 HydrophobicContact CB-CB 4.34Å; V405-A427 HydrophobicContact CG1-CB 3.88Å; V407-A427 HydrophobicContact CG1-CB 3.88Å; L423-A427 PolarHBondContact O-N 3.26Å; L424-A427 WeakPolarHBondContact O-CB 3.37Å; L424-A427 PolarHBondContact O-N 2.85Å; L425-A427 VanDerWaalsContact C-N 3.32Å; L425-A427 PolarHBondContact O-N 3.21Å; A427-T429 VanDerWaalsContact C-N 3.34Å; A427-T429 PolarHBondContact O-N 3.25Å; A427-Q430 PolarHBondContact O-N 2.76Å; A427-M431 HydrophobicContact CB-CE 4.32Å; A427-M431 VanDerWaalsContact O-CG 3.27Å; A427-M431 WeakPolarHBondContact O-CG 3.34Å; A427-M431 PolarHBondContact O-N 2.89Å
428I98.4Very high97.3Very high0 Ų021.2 Ų21.20%011%0.106CC..Hα-helixtrans-62.1-41.6176.4-63.2-65.9000111.6I191 F219 V223 V264 L266 L424 L425 Q430 M431 L432I191-I428 HydrophobicContact CD1-CB 3.91Å; I191-I428 HydrophobicContact CD1-CG2 3.72Å; I191-I428 HydrophobicContact CG1-CG2 4Å; I191-I428 HydrophobicContact CG2-CG2 4.04Å; F219-I428 HydrophobicContact CE1-CD1 4.26Å; F219-I428 HydrophobicContact CZ-CD1 4.23Å; V223-I428 HydrophobicContact CG1-CD1 3.95Å; V223-I428 HydrophobicContact CG1-CG1 3.76Å; V223-I428 HydrophobicContact CG2-CD1 4.06Å; V223-I428 HydrophobicContact CG2-CG1 3.97Å; V264-I428 HydrophobicContact CG1-CG2 4.29Å; L266-I428 HydrophobicContact CD1-CD1 4.09Å; L266-I428 HydrophobicContact CD2-CD1 4.07Å; L424-I428 PolarHBondContact O-N 3.36Å; L424-I428 VanDerWaalsContact O-N 3.14Å; L425-I428 PolarHBondContact O-N 3.45Å; I428-Q430 VanDerWaalsContact C-N 3.31Å; I428-Q430 PolarHBondContact O-N 2.97Å; I428-M431 HydrophobicContact CD1-SD 3.92Å; I428-M431 WeakPolarHBondContact O-CB 3.46Å; I428-M431 PolarHBondContact O-N 3.42Å; I428-M431 VanDerWaalsContact O-N 3.16Å; I428-L432 HydrophobicContact CG2-CD1 4.31Å; I428-L432 HydrophobicContact CG2-CG 4.48Å; I428-L432 WeakPolarHBondContact O-CG 3.32Å; I428-L432 PolarHBondContact O-N 3.05Å
429T97.9Very high97.1Very high3 Ų319 Ų192%0.0189%0.093CC..Hα-helixtrans-59.3-43.2176.6-62.40000111.3Y190 L425 S426 A427 L432 R433Y190-T429 HydrophobicContact CD1-CG2 3.91Å; Y190-T429 HydrophobicContact CE1-CG2 3.74Å; L425-T429 WeakPolarHBondContact O-CB 3.26Å; L425-T429 PolarHBondContact O-N 3.39Å; L425-T429 PolarHBondContact O-OG1 2.99Å; S426-T429 PolarHBondContact O-N 3.11Å; A427-T429 VanDerWaalsContact C-N 3.34Å; A427-T429 PolarHBondContact O-N 3.25Å; T429-L432 PolarHBondContact O-N 3.46Å; T429-R433 WeakPolarHBondContact O-CG 3.18Å; T429-R433 PolarHBondContact O-N 2.64Å
430Q97.8Very high96.8Very high70 Ų7021 Ų2133%0.32710%0.104SC..Hα-helixtrans-69.1-33.6176.5-65.7-62.8-18.900112.7L360 V405 S426 A427 I428 S434L360-Q430 HydrophobicContact CD1-CB 3.75Å; V405-Q430 HydrophobicContact CG2-CB 4.3Å; V405-Q430 HydrophobicContact CG2-CG 4.17Å; S426-Q430 WeakPolarHBondContact O-CG 3.25Å; S426-Q430 PolarHBondContact O-N 3.4Å; A427-Q430 PolarHBondContact O-N 2.76Å; I428-Q430 VanDerWaalsContact C-N 3.31Å; I428-Q430 PolarHBondContact O-N 2.97Å; Q430-S434 VanDerWaalsContact O-CB 3.31Å; Q430-S434 WeakPolarHBondContact O-CB 2.94Å; Q430-S434 PolarHBondContact O-N 3.39Å; Q430-S434 PolarHBondContact O-OG 2.92Å
431M98.1Very high96.4Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-64.4-42.4173.1-68.6169.9-166.800111.9I206 F219 L266 T326 L360 V362 A427 I428 S434 A435I206-M431 HydrophobicContact CD1-CB 4.05Å; I206-M431 HydrophobicContact CG1-CB 4.17Å; I206-M431 HydrophobicContact CG2-CB 4.26Å; I206-M431 HydrophobicContact CG2-CG 4.08Å; I206-M431 HydrophobicContact CG2-SD 3.83Å; F219-M431 HydrophobicContact CE1-CE 3.71Å; F219-M431 HydrophobicContact CE1-SD 4.41Å; F219-M431 HydrophobicContact CZ-CE 3.64Å; L266-M431 HydrophobicContact CD2-SD 4.42Å; T326-M431 HydrophobicContact CG2-CE 3.63Å; L360-M431 HydrophobicContact CD2-CE 4.37Å; L360-M431 HydrophobicContact CD2-CG 4.36Å; V362-M431 HydrophobicContact CG2-CE 3.35Å; A427-M431 HydrophobicContact CB-CE 4.32Å; A427-M431 VanDerWaalsContact O-CG 3.27Å; A427-M431 WeakPolarHBondContact O-CG 3.34Å; A427-M431 PolarHBondContact O-N 2.89Å; I428-M431 HydrophobicContact CD1-SD 3.92Å; I428-M431 WeakPolarHBondContact O-CB 3.46Å; I428-M431 PolarHBondContact O-N 3.42Å; I428-M431 VanDerWaalsContact O-N 3.16Å; M431-S434 WeakPolarHBondContact O-CB 3.32Å; M431-S434 PolarHBondContact O-N 3.08Å; M431-A435 PolarHBondContact O-N 3.17Å
432L97.5Very high96Very high0 Ų026.8 Ų26.80%013%0.132CC..Hα-helixtrans-65-47.8176.3-72.3177.7000111.7I191 Y194 A204 V264 I428 T429 S434 A435 D436I191-L432 HydrophobicContact CB-CD1 4.46Å; I191-L432 HydrophobicContact CG1-CD1 4.22Å; I191-L432 HydrophobicContact CG2-CD1 4.21Å; Y194-L432 HydrophobicContact CD1-CD1 3.93Å; Y194-L432 HydrophobicContact CD1-CD2 3.65Å; Y194-L432 HydrophobicContact CD1-CG 4.24Å; Y194-L432 HydrophobicContact CD2-CB 4.3Å; Y194-L432 HydrophobicContact CD2-CD1 4.37Å; Y194-L432 HydrophobicContact CE1-CB 4.43Å; Y194-L432 HydrophobicContact CE1-CD2 3.54Å; Y194-L432 HydrophobicContact CE1-CG 4.38Å; Y194-L432 HydrophobicContact CE2-CB 4.18Å; Y194-L432 HydrophobicContact CG-CB 4.48Å; Y194-L432 HydrophobicContact CG-CD1 3.84Å; Y194-L432 HydrophobicContact CG-CD2 4.33Å; Y194-L432 HydrophobicContact CG-CG 4.44Å; A204-L432 HydrophobicContact CB-CD2 3.8Å; V264-L432 HydrophobicContact CB-CD2 3.94Å; V264-L432 HydrophobicContact CG2-CD2 4.19Å; I428-L432 HydrophobicContact CG2-CD1 4.31Å; I428-L432 HydrophobicContact CG2-CG 4.48Å; I428-L432 WeakPolarHBondContact O-CG 3.32Å; I428-L432 PolarHBondContact O-N 3.05Å; T429-L432 PolarHBondContact O-N 3.46Å; L432-S434 PolarHBondContact O-N 3.27Å; L432-A435 WeakPolarHBondContact O-CA 3.31Å; L432-A435 WeakPolarHBondContact O-CB 3.46Å; L432-A435 PolarHBondContact O-N 2.87Å; L432-D436 PolarHBondContact O-N 2.83Å
433R96.1Very high95.4Very high114 Ų11429.4 Ų29.443%0.4315%0.15SC..Hα-helixtrans-59.2-35173.8-71.2172.4178.5170.6-1.4112.3T429 D436T429-R433 WeakPolarHBondContact O-CG 3.18Å; T429-R433 PolarHBondContact O-N 2.64Å; R433-D436 PolarHBondContact O-N 2.81Å
434S95.9Very high94.9Very high13 Ų1334.5 Ų34.59%0.09118%0.178CC..Hα-helixtrans-67.7-41173.7-62.20000111.1P358 Q430 M431 L432 D436 N437P358-S434 WeakPolarHBondContact CG-O 3.35Å; Q430-S434 VanDerWaalsContact O-CB 3.31Å; Q430-S434 WeakPolarHBondContact O-CB 2.94Å; Q430-S434 PolarHBondContact O-N 3.39Å; Q430-S434 PolarHBondContact O-OG 2.92Å; M431-S434 WeakPolarHBondContact O-CB 3.32Å; M431-S434 PolarHBondContact O-N 3.08Å; L432-S434 PolarHBondContact O-N 3.27Å; S434-D436 VanDerWaalsContact C-N 3.27Å; S434-D436 PolarHBondContact O-N 2.81Å; S434-N437 WeakPolarHBondContact O-CB 3.46Å; S434-N437 PolarHBondContact O-N 3.1Å
435A96.4Very high94.3Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-62.9-31.5175.900000112.7A204 I206 H323 M431 L432 N437 F438 Y439A204-A435 HydrophobicContact CB-CB 3.97Å; I206-A435 HydrophobicContact CD1-CB 4.45Å; H323-A435 HydrophobicContact CB-CB 4Å; M431-A435 PolarHBondContact O-N 3.17Å; L432-A435 WeakPolarHBondContact O-CA 3.31Å; L432-A435 WeakPolarHBondContact O-CB 3.46Å; L432-A435 PolarHBondContact O-N 2.87Å; A435-N437 VanDerWaalsContact C-N 3.31Å; A435-N437 PolarHBondContact O-N 3.07Å; A435-F438 VanDerWaalsContact O-CB 3.32Å; A435-F438 WeakPolarHBondContact O-CB 3.47Å; A435-F438 PolarHBondContact O-N 3.03Å; A435-F438 VanDerWaalsContact O-N 3.09Å; A435-Y439 HydrophobicContact CB-CE2 4.1Å; A435-Y439 WeakPolarHBondContact O-CD2 3.48Å; A435-Y439 PolarHBondContact O-N 3.16Å; A435-Y439 VanDerWaalsContact O-N 3.14Å
436D95.1Very high93.5Very high28 Ų2841.9 Ų41.915%0.1521%0.214CC..Hα-helixtrans-57.5-43.5172.5-67.5-30.5000112Y194 L197 L432 R433 S434 F438 Y439 D440Y194-D436 WeakPolarHBondContact CE2-OD1 3.15Å; Y194-D436 WeakPolarHBondContact CE2-OD2 3.38Å; Y194-D436 PolarHBondContact OH-OD1 3.16Å; L197-D436 HydrophobicContact CD1-CB 4.04Å; L432-D436 PolarHBondContact O-N 2.83Å; R433-D436 PolarHBondContact O-N 2.81Å; S434-D436 VanDerWaalsContact C-N 3.27Å; S434-D436 PolarHBondContact O-N 2.81Å; D436-F438 PolarHBondContact O-N 3.34Å; D436-Y439 WeakPolarHBondContact O-CA 3.17Å; D436-Y439 WeakPolarHBondContact O-CB 3.42Å; D436-Y439 PolarHBondContact O-N 3.5Å; D436-D440 PolarHBondContact O-N 2.98Å
437N93.1Very high92.9Very high91 Ų9143.3 Ų43.349%0.48722%0.224SC..Hα-helixtrans-59.3-34.2176.1-58.9-35.2000112.5S434 A435 D441S434-N437 WeakPolarHBondContact O-CB 3.46Å; S434-N437 PolarHBondContact O-N 3.1Å; A435-N437 VanDerWaalsContact C-N 3.31Å; A435-N437 PolarHBondContact O-N 3.07Å; N437-D441 WeakPolarHBondContact O-CB 3.27Å; N437-D441 PolarHBondContact O-N 2.87Å; N437-D441 VanDerWaalsContact O-N 3.09Å
438F95.1Very high92.1Very high17 Ų1745.7 Ų45.78%0.07524%0.244CC..Hα-helixtrans-67.1-39.9174.4175-93.3000111.7L318 H323 I357 P358 A435 D436 F442L318-F438 HydrophobicContact CD1-CE1 3.87Å; L318-F438 HydrophobicContact CD1-CZ 4.24Å; H323-F438 HydrophobicContact CB-CD1 4.2Å; H323-F438 AromaticContact CD2-CD1 3.61Å; H323-F438 AromaticContact CD2-CE1 3.51Å; H323-F438 WeakPolarHBondContact O-CB 3.33Å; I357-F438 HydrophobicContact CG1-CD2 4.23Å; I357-F438 HydrophobicContact CG1-CE2 3.98Å; P358-F438 HydrophobicContact CG-CB 3.9Å; A435-F438 VanDerWaalsContact O-CB 3.32Å; A435-F438 WeakPolarHBondContact O-CB 3.47Å; A435-F438 PolarHBondContact O-N 3.03Å; A435-F438 VanDerWaalsContact O-N 3.09Å; D436-F438 PolarHBondContact O-N 3.34Å; F438-F442 WeakPolarHBondContact O-CB 3.3Å; F438-F442 PolarHBondContact O-N 3.28Å
439Y93.8Very high91Very high1 Ų151.1 Ų51.10%0.00427%0.272CS..Hα-helixtrans-68-40.4178.2-61.5-45.8000112.1P196 I198 V201 A204 H323 A435 D436 F442 S443P196-Y439 HydrophobicContact CB-CD2 4.37Å; P196-Y439 HydrophobicContact CB-CE2 3.78Å; I198-Y439 HydrophobicContact CD1-CD1 3.74Å; I198-Y439 HydrophobicContact CD1-CG 4.21Å; I198-Y439 HydrophobicContact CG1-CD1 4.2Å; I198-Y439 HydrophobicContact CG1-CG 4.35Å; V201-Y439 HydrophobicContact CB-CE1 4.36Å; V201-Y439 HydrophobicContact CG1-CE1 4.26Å; V201-Y439 WeakPolarHBondContact CG1-OH 3.44Å; V201-Y439 HydrophobicContact CG2-CE1 4.19Å; A204-Y439 WeakPolarHBondContact CA-OH 3.12Å; H323-Y439 AromaticContact CD2-CE1 3.14Å; H323-Y439 WeakPolarHBondContact CD2-CE1 3.19Å; H323-Y439 AromaticContact CD2-CZ 3.49Å; H323-Y439 VanDerWaalsContact CD2-CZ 3.49Å; H323-Y439 PolarHBondContact CD2-OH 3.22Å; H323-Y439 AromaticContact CG-CZ 3.91Å; H323-Y439 VanDerWaalsContact CG-OH 3.29Å; H323-Y439 AromaticContact NE2-CE1 3.57Å; H323-Y439 AromaticContact NE2-CZ 3.96Å; H323-Y439 PolarHBondContact NE2-OH 2.78Å; A435-Y439 HydrophobicContact CB-CE2 4.1Å; A435-Y439 WeakPolarHBondContact O-CD2 3.48Å; A435-Y439 PolarHBondContact O-N 3.16Å; A435-Y439 VanDerWaalsContact O-N 3.14Å; D436-Y439 WeakPolarHBondContact O-CA 3.17Å; D436-Y439 WeakPolarHBondContact O-CB 3.42Å; D436-Y439 PolarHBondContact O-N 3.5Å; Y439-F442 PolarHBondContact O-N 3.15Å; Y439-S443 WeakPolarHBondContact O-CB 3.42Å; Y439-S443 PolarHBondContact O-N 2.65Å
440D91.5Very high89.8Confident76 Ų7657.4 Ų57.441%0.40630%0.302SS..Hα-helixtrans-61.1-51.9174.9-70.2-25.5000111L197 D436 F442 S443 D444L197-D440 WeakPolarHBondContact CD1-OD1 3.36Å; D436-D440 PolarHBondContact O-N 2.98Å; D440-F442 PolarHBondContact O-N 3.35Å; D440-S443 WeakPolarHBondContact O-CB 3.27Å; D440-S443 PolarHBondContact O-N 3.01Å; D440-S443 VanDerWaalsContact O-N 3.08Å; D440-D444 PolarHBondContact O-N 2.83Å
441D89.1Confident88.3Confident69 Ų6959.9 Ų59.937%0.36932%0.322SS..Hα-helixtrans-56.5-38.7176.7-92.44.3000112.3N437 Q445N437-D441 WeakPolarHBondContact O-CB 3.27Å; N437-D441 PolarHBondContact O-N 2.87Å; N437-D441 VanDerWaalsContact O-N 3.09Å; D441-Q445 WeakPolarHBondContact O-CG 3.33Å; D441-Q445 PolarHBondContact O-N 3.14Å
442F89Confident86.3Confident54 Ų5470.2 Ų70.224%0.23736%0.361CS..Hα-helixtrans-70.3-40.8177.7-178.7-95.6000112.3I198 L318 F438 Y439 D440 D444 Q445 L446I198-F442 HydrophobicContact CD1-CB 4.44Å; I198-F442 HydrophobicContact CD1-CD1 3.5Å; I198-F442 VanDerWaalsContact CD1-CD1 3.5Å; I198-F442 HydrophobicContact CD1-CE1 4.17Å; I198-F442 HydrophobicContact CD1-CG 4.34Å; L318-F442 HydrophobicContact CD1-CD1 4.48Å; L318-F442 HydrophobicContact CD1-CD2 4.1Å; L318-F442 HydrophobicContact CD1-CE1 4.33Å; L318-F442 HydrophobicContact CD1-CE2 3.99Å; L318-F442 HydrophobicContact CD1-CG 4.35Å; L318-F442 HydrophobicContact CD1-CZ 4.1Å; L318-F442 HydrophobicContact CD2-CD1 3.9Å; L318-F442 HydrophobicContact CD2-CE1 3.61Å; L318-F442 HydrophobicContact CD2-CZ 4.07Å; F438-F442 WeakPolarHBondContact O-CB 3.3Å; F438-F442 PolarHBondContact O-N 3.28Å; Y439-F442 PolarHBondContact O-N 3.15Å; D440-F442 PolarHBondContact O-N 3.35Å; F442-D444 VanDerWaalsContact C-N 3.35Å; F442-Q445 PolarHBondContact O-N 3.29Å; F442-L446 HydrophobicContact CD1-CD1 3.73Å; F442-L446 HydrophobicContact CD1-CG 4.49Å; F442-L446 HydrophobicContact CE1-CD1 3.23Å; F442-L446 HydrophobicContact CE1-CG 4.08Å; F442-L446 HydrophobicContact CZ-CD1 3.83Å; F442-L446 HydrophobicContact CZ-CG 4.28Å; F442-L446 PolarHBondContact O-N 3.46Å
443S87.6Confident83.8Confident54 Ų5481 Ų8138%0.37841%0.411SS..Hα-helixtrans-63.2-41176.1-174.90000111.8Y439 D440 Q445 L446 S447Y439-S443 WeakPolarHBondContact O-CB 3.42Å; Y439-S443 PolarHBondContact O-N 2.65Å; D440-S443 WeakPolarHBondContact O-CB 3.27Å; D440-S443 PolarHBondContact O-N 3.01Å; D440-S443 VanDerWaalsContact O-N 3.08Å; S443-Q445 PolarHBondContact O-N 2.91Å; S443-L446 PolarHBondContact O-N 2.94Å; S443-S447 WeakPolarHBondContact O-CB 3.45Å; S443-S447 PolarHBondContact O-N 3.13Å; S443-S447 PolarHBondContact O-OG 3.16Å
444D87.1Confident83.2Confident107 Ų10779.4 Ų79.457%0.57241%0.41SS*.Hα-helixtrans-64.3-40176.4-75.9-9.9000111.9D440 F442 S447 A448D440-D444 PolarHBondContact O-N 2.83Å; F442-D444 VanDerWaalsContact C-N 3.35Å; D444-S447 PolarHBondContact O-N 3.36Å; D444-A448 WeakPolarHBondContact O-CB 3.45Å; D444-A448 PolarHBondContact O-N 2.91Å
445Q85.6Confident82.6Confident78 Ų7882.9 Ų82.936%0.36443%0.427SS..Hα-helixtrans-63.2-44.6174.9-76.2178.44.600112.5D441 F442 S443 S447 A448 L449D441-Q445 WeakPolarHBondContact O-CG 3.33Å; D441-Q445 PolarHBondContact O-N 3.14Å; F442-Q445 PolarHBondContact O-N 3.29Å; S443-Q445 PolarHBondContact O-N 2.91Å; Q445-S447 VanDerWaalsContact C-N 3.33Å; Q445-A448 PolarHBondContact O-N 3.34Å; Q445-L449 WeakPolarHBondContact O-CG 3.13Å; Q445-L449 PolarHBondContact O-N 2.86Å; Q445-L449 VanDerWaalsContact O-N 3.07Å
446L82.8Confident81.8Confident78 Ų7887.5 Ų87.541%0.40845%0.451SS..Hα-helixtrans-60.6-45.2176.4-83.7168.2000111.2F442 S443 A448 L449 Q450F442-L446 HydrophobicContact CD1-CD1 3.73Å; F442-L446 HydrophobicContact CD1-CG 4.49Å; F442-L446 HydrophobicContact CE1-CD1 3.23Å; F442-L446 HydrophobicContact CE1-CG 4.08Å; F442-L446 HydrophobicContact CZ-CD1 3.83Å; F442-L446 HydrophobicContact CZ-CG 4.28Å; F442-L446 PolarHBondContact O-N 3.46Å; S443-L446 PolarHBondContact O-N 2.94Å; L446-A448 PolarHBondContact O-N 2.92Å; L446-L449 PolarHBondContact O-N 3.19Å; L446-Q450 WeakPolarHBondContact O-CG 3.32Å; L446-Q450 PolarHBondContact O-N 3.42Å; L446-Q450 VanDerWaalsContact O-N 3.11Å
447S84.3Confident81Confident56 Ų5691 Ų9139%0.39247%0.469SS..Hα-helixtrans-62.1-43.8178.3-56.20000111.3S443 D444 Q445 L449 Q450 T451S443-S447 WeakPolarHBondContact O-CB 3.45Å; S443-S447 PolarHBondContact O-N 3.13Å; S443-S447 PolarHBondContact O-OG 3.16Å; D444-S447 PolarHBondContact O-N 3.36Å; Q445-S447 VanDerWaalsContact C-N 3.33Å; S447-L449 VanDerWaalsContact C-N 3.32Å; S447-L449 PolarHBondContact O-N 3.45Å; S447-Q450 PolarHBondContact O-N 3.15Å; S447-T451 PolarHBondContact O-N 3.45Å; S447-T451 PolarHBondContact O-OG1 2.95Å
448A81.5Confident80.2Confident51 Ų5191 Ų9142%0.42147%0.468SS..Hα-helixtrans-66.8-28.7178.500000114D444 Q445 L446 R452D444-A448 WeakPolarHBondContact O-CB 3.45Å; D444-A448 PolarHBondContact O-N 2.91Å; Q445-A448 PolarHBondContact O-N 3.34Å; L446-A448 PolarHBondContact O-N 2.92Å; A448-R452 WeakPolarHBondContact O-CG 3.47Å
449L76.8Confident79.3Confident113 Ų11395.9 Ų95.959%0.59249%0.494SS*.Hα-helixtrans-73.6-40.8174.3-75.1164.6000111.4Q445 L446 S447 T451 R452Q445-L449 WeakPolarHBondContact O-CG 3.13Å; Q445-L449 PolarHBondContact O-N 2.86Å; Q445-L449 VanDerWaalsContact O-N 3.07Å; L446-L449 PolarHBondContact O-N 3.19Å; S447-L449 VanDerWaalsContact C-N 3.32Å; S447-L449 PolarHBondContact O-N 3.45Å; L449-T451 VanDerWaalsContact C-N 3.31Å; L449-T451 PolarHBondContact O-N 3.33Å; L449-R452 PolarHBondContact O-N 3.46Å
450Q71.1Confident78.2Confident136 Ų136102.7 Ų102.764%0.63653%0.529SS*.Hα-helixtrans-66.6-29.3178.4-72176.3-9.400113.4L446 S447 R452L446-Q450 WeakPolarHBondContact O-CG 3.32Å; L446-Q450 PolarHBondContact O-N 3.42Å; L446-Q450 VanDerWaalsContact O-N 3.11Å; S447-Q450 PolarHBondContact O-N 3.15Å; Q450-R452 VanDerWaalsContact C-N 3.27Å; Q450-R452 PolarHBondContact O-N 3Å
451T66.3Low77.2Confident122 Ų122104.8 Ų104.875%0.74854%0.538SS*.THydrogen-bonded Turntrans-79.6-7.6176.4-39.10000113.3S447 L449S447-T451 PolarHBondContact O-N 3.45Å; S447-T451 PolarHBondContact O-OG1 2.95Å; L449-T451 VanDerWaalsContact C-N 3.31Å; L449-T451 PolarHBondContact O-N 3.33Å
452R57Low76.2Confident216 Ų216107.8 Ų107.882%0.81555%0.552SS**THydrogen-bonded Turntrans-101.6-10.6179.8-73.5179.3179-1680.7113.6A448 L449 Q450A448-R452 WeakPolarHBondContact O-CG 3.47Å; L449-R452 PolarHBondContact O-N 3.46Å; Q450-R452 VanDerWaalsContact C-N 3.27Å; Q450-R452 PolarHBondContact O-N 3Å
453E45.5Very low75Confident228 Ų228112.6 Ų112.6100%1.06558%0.581SS**  trans-89.90165.5-67.2-176.5163.300109.6

Retrieved 453 of 453 residues in 575.3 ms (Link to these results)

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