A0A096MF85_POEFO Loading...

Potassium inwardly rectifying channel subfamily J member 16

AlphaFold DB , UniProt , Accession A0A096MF85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 388 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
1R44.5Very low72.3Confident276 Ų276122.8 Ų122.8100%1.04255%0.545SS*.  0117.10-103.5179.7175.5-173.4-2107.6K3R1-K3 PolarHBondContact O-N 2.93Å
2S45.6Very low73Confident120 Ų120113.8 Ų113.884%0.83951%0.512SS*.  trans-58.4130.1172-179.80000108.7K4S2-K4 PolarHBondContact O-N 3.17Å
3K58.9Low73.5Confident199 Ų199109.4 Ų109.487%0.86550%0.503SS*.  trans-64.1115.8174.2-91.6179.21741780107.2R1 Q5R1-K3 PolarHBondContact O-N 2.93Å; K3-Q5 PolarHBondContact O-N 2.9Å
4K66.9Low74Confident130 Ų130106.4 Ų106.457%0.56550%0.5SS*.PPolyproline II helixtrans-52.9135.9170.1-86.3-176169.3-170.90109.2S2 R6 D245S2-K4 PolarHBondContact O-N 3.17Å; K4-R6 PolarHBondContact O-N 3.21Å; K4-D245 IonicContact NZ-OD1 2.94Å; K4-D245 PolarHBondContact NZ-OD1 3.18Å; K4-D245 IonicContact NZ-OD2 3.29Å; K4-D245 PolarHBondContact NZ-OD2 2.84Å
5Q69.9Low74Confident181 Ų181102 Ų10285%0.84649%0.485SS*.PPolyproline II helixtrans-71.8125.1179.9-170.4158.8-14.900108.7K3K3-Q5 PolarHBondContact O-N 2.9Å
6R83.2Confident74.2Confident70 Ų7098.8 Ų98.826%0.26447%0.474SS..PPolyproline II helixtrans-91.6144.4-177.2-61.5-172.5170179.5-4111.8K4 S15 E247 T270 E273K4-R6 PolarHBondContact O-N 3.21Å; R6-S15 WeakPolarHBondContact O-CB 3.45Å; R6-S15 PolarHBondContact O-OG 3.35Å; R6-E247 WeakPolarHBondContact CA-OE1 3.32Å; R6-E247 WeakPolarHBondContact CB-OE1 3.48Å; R6-E247 WeakPolarHBondContact CG-OE1 3.37Å; R6-T270 HydrophobicContact CG-CG2 3.87Å; R6-T270 PolarHBondContact NH2-OG1 3.41Å; R6-E273 IonicContact CZ-OE1 2.81Å; R6-E273 IonicContact CZ-OE2 3.26Å; R6-E273 IonicContact NH1-OE1 3.16Å; R6-E273 PolarHBondContact NH1-OE1 3.31Å; R6-E273 IonicContact NH1-OE2 3.98Å; R6-E273 PolarHBondContact NH1-OE2 3.23Å; R6-E273 IonicContact NH2-OE1 2.9Å; R6-E273 PolarHBondContact NH2-OE1 3.18Å; R6-E273 IonicContact NH2-OE2 2.81Å; R6-E273 PolarHBondContact NH2-OE2 3Å
7Y84.4Confident74.2Confident62 Ų62100 Ų10024%0.24349%0.489CS..SBendtrans-76.7-43.5177.4-170.8-105.9000111.7S15 V16 L191 I203 Y205 E247Y7-S15 PolarHBondContact O-N 3.13Å; Y7-S15 PolarHBondContact O-OG 3.35Å; Y7-V16 HydrophobicContact CD2-CG2 4.1Å; Y7-V16 HydrophobicContact CE2-CG2 3.44Å; Y7-V16 VanDerWaalsContact CE2-CG2 3.44Å; Y7-L191 VanDerWaalsContact CB-CD2 3.44Å; Y7-L191 HydrophobicContact CD1-CD2 3.44Å; Y7-L191 VanDerWaalsContact CD1-CD2 3.44Å; Y7-L191 HydrophobicContact CD2-CD2 4.47Å; Y7-L191 HydrophobicContact CE1-CD2 4.32Å; Y7-L191 HydrophobicContact CG-CD2 3.55Å; Y7-I203 HydrophobicContact CD2-CD1 4.22Å; Y7-I203 HydrophobicContact CE2-CD1 3.62Å; Y7-Y205 WeakPolarHBondContact CE1-OH 3.46Å; Y7-Y205 PolarHBondContact OH-OH 3.3Å; Y7-E247 WeakPolarHBondContact CB-OE2 3.44Å; Y7-E247 PolarHBondContact N-OE2 3.31Å
8V87.3Confident74Confident5 Ų5103.4 Ų103.43%0.0350%0.501CS..BIsolated β-bridgetrans-117.4136.3172.4175.20000109L249 S268V8-L249 HydrophobicContact CB-CD1 4.06Å; V8-L249 HydrophobicContact CG1-CD1 4.04Å; V8-L249 HydrophobicContact CG2-CD1 3.86Å; V8-S268 WeakPolarHBondContact O-CB 3.08Å; V8-S268 PolarHBondContact O-OG 2.84Å
9R86.6Confident73.5Confident137 Ų137109.1 Ų109.152%0.51752%0.517SS..  trans-79.1163175.3-62.4-167.5179.2-141.8-0.9111E11 G12 S13R9-E11 PolarHBondContact O-N 3.32Å; R9-G12 PolarHBondContact O-N 3.41Å; R9-S13 WeakPolarHBondContact CD-OG 3.36Å; R9-S13 PolarHBondContact N-O 3.36Å
10K86Confident72.8Confident52 Ų52112.7 Ų112.723%0.22653%0.532CS..THydrogen-bonded Turntrans-58.6-31.7174.7-78.9-69.8-175.5-1700113.1G12 N156 T267 S268 E273K10-G12 PolarHBondContact O-N 2.87Å; K10-N156 PolarHBondContact NZ-O 2.82Å; K10-N156 VanDerWaalsContact NZ-O 3.13Å; K10-T267 WeakPolarHBondContact CA-OG1 3.35Å; K10-T267 PolarHBondContact O-OG1 3.25Å; K10-S268 WeakPolarHBondContact CD-O 3.41Å; K10-S268 WeakPolarHBondContact CE-O 3.31Å; K10-S268 PolarHBondContact NZ-O 3.47Å; K10-E273 WeakPolarHBondContact CE-OE1 3.21Å; K10-E273 WeakPolarHBondContact CE-OE2 3.17Å; K10-E273 VanDerWaalsContact NZ-CD 3.35Å; K10-E273 IonicContact NZ-OE1 2.73Å; K10-E273 IonicContact NZ-OE2 3.53Å; K10-E273 PolarHBondContact NZ-OE2 3.01Å
11E82.1Confident72.4Confident119 Ų119110.5 Ų110.556%0.55653%0.527SS*.THydrogen-bonded Turntrans-75.7-1.5175.9-46.6103.4-158.300113.5R9 Q150R9-E11 PolarHBondContact O-N 3.32Å; E11-Q150 PolarHBondContact O-NE2 3.35Å; E11-Q150 VanDerWaalsContact O-NE2 3.15Å; E11-Q150 PolarHBondContact O-OE1 3.11Å
12G80.2Confident72.8Confident15 Ų15102.5 Ų102.516%0.15551%0.51CS..SBendtrans85.60.2179.700000115.4R9 K10 R266R9-G12 PolarHBondContact O-N 3.41Å; K10-G12 PolarHBondContact O-N 2.87Å; G12-R266 WeakPolarHBondContact CA-O 3.4Å; G12-R266 PolarHBondContact N-O 3.09Å
13S79.4Confident73.5Confident56 Ų56103.4 Ų103.439%0.39250%0.501SS..  trans-75.4136173.558.40000111.6R9R9-S13 WeakPolarHBondContact CD-OG 3.36Å; R9-S13 PolarHBondContact N-O 3.36Å
14C81.6Confident73.6Confident68 Ų6898 Ų9846%0.45948%0.479SS..BIsolated β-bridgetrans-80.4135.7175.1-58.10000110V16C14-V16 HydrophobicContact CB-CG2 4.48Å; C14-V16 PolarHBondContact O-N 2.63Å
15S73.2Confident73.4Confident40 Ų40100.9 Ų100.928%0.2849%0.486SS..  trans-89.231177.565.20000112.7R6 Y7R6-S15 WeakPolarHBondContact O-CB 3.45Å; R6-S15 PolarHBondContact O-OG 3.35Å; Y7-S15 PolarHBondContact O-N 3.13Å; Y7-S15 PolarHBondContact O-OG 3.35Å
16V76.8Confident73.1Confident51 Ų5196.6 Ų96.631%0.30947%0.469SS..  trans-98.1128.9-177.1-176.90000109.4Y7 C14 F18Y7-V16 HydrophobicContact CD2-CG2 4.1Å; Y7-V16 HydrophobicContact CE2-CG2 3.44Å; Y7-V16 VanDerWaalsContact CE2-CG2 3.44Å; C14-V16 HydrophobicContact CB-CG2 4.48Å; C14-V16 PolarHBondContact O-N 2.63Å; V16-F18 HydrophobicContact CG1-CE1 4.15Å; V16-F18 HydrophobicContact CG1-CE2 4.18Å; V16-F18 HydrophobicContact CG1-CZ 3.97Å
17V74.3Confident72.3Confident119 Ų11998.2 Ų98.272%0.72148%0.482SS*.  trans-111.9110.3172.9-178.90000107.4R19V17-R19 HydrophobicContact CG1-CG 4.41Å
18F70.9Confident71.4Confident161 Ų161100.8 Ų100.871%0.70650%0.495SS*.  trans-71.4134170.8-58.6-81.5000108.6V16 V21V16-F18 HydrophobicContact CG1-CE1 4.15Å; V16-F18 HydrophobicContact CG1-CE2 4.18Å; V16-F18 HydrophobicContact CG1-CZ 3.97Å; F18-V21 HydrophobicContact CB-CG2 4.05Å
19R64.2Low70.4Confident212 Ų212103.9 Ų103.980%0.851%0.514SS*.  trans-125.6134.4175.8-73.7-172.5174.5-178.9-1.3108.8V17V17-R19 HydrophobicContact CG1-CG 4.41Å
20H59.5Low69.8Low180 Ų180104.5 Ų104.583%0.83353%0.527SS*.  trans60.856.1-179.8-51.298.3000113.5P22H20-P22 WeakPolarHBondContact O-CD 3.33Å
21V64.3Low69.5Low68 Ų68105.6 Ų105.641%0.41254%0.536SS..  trans-73.8125.8164.3-174.60000107.1F18 E23 E24F18-V21 HydrophobicContact CB-CG2 4.05Å; V21-E23 PolarHBondContact O-N 3.02Å; V21-E24 HydrophobicContact CB-CG 3.66Å; V21-E24 VanDerWaalsContact CB-OE1 3.28Å; V21-E24 WeakPolarHBondContact CB-OE1 3.37Å; V21-E24 HydrophobicContact CG1-CG 4.33Å; V21-E24 PolarHBondContact N-OE1 3.46Å; V21-E24 VanDerWaalsContact N-OE1 3.12Å; V21-E24 WeakPolarHBondContact O-CG 3.41Å
22P54.1Low69.5Low107 Ų107105 Ų10570%0.69554%0.535SS*.THydrogen-bonded Turntrans-59.6136.7175.9-19.330.5000110.2H20 E24H20-P22 WeakPolarHBondContact O-CD 3.33Å; P22-E24 PolarHBondContact O-N 3.25Å
23E59.4Low69.5Low140 Ų140109.4 Ų109.465%0.65455%0.55SS**THydrogen-bonded Turntrans6527.4172.6-55.3-174.8163.400117.3V21 W25 L26 L27V21-E23 PolarHBondContact O-N 3.02Å; E23-W25 VanDerWaalsContact C-N 3.33Å; E23-W25 PolarHBondContact O-N 3.18Å; E23-L26 HydrophobicContact CB-CB 4.49Å; E23-L26 PolarHBondContact O-N 3.01Å; E23-L26 VanDerWaalsContact O-N 3.12Å; E23-L27 PolarHBondContact O-N 2.98Å; E23-L27 VanDerWaalsContact O-N 3.11Å
24E62.3Low69.6Low85 Ų85109.2 Ų109.240%0.39755%0.547SS..Hα-helixtrans-46.1-50.8179.5-77.7175.9-164.500113.5V21 P22 L26 L27 F28V21-E24 HydrophobicContact CB-CG 3.66Å; V21-E24 VanDerWaalsContact CB-OE1 3.28Å; V21-E24 WeakPolarHBondContact CB-OE1 3.37Å; V21-E24 HydrophobicContact CG1-CG 4.33Å; V21-E24 PolarHBondContact N-OE1 3.46Å; V21-E24 VanDerWaalsContact N-OE1 3.12Å; V21-E24 WeakPolarHBondContact O-CG 3.41Å; P22-E24 PolarHBondContact O-N 3.25Å; E24-L26 PolarHBondContact O-N 3.32Å; E24-L27 PolarHBondContact O-N 3.29Å; E24-F28 HydrophobicContact CB-CD2 4.44Å; E24-F28 HydrophobicContact CB-CE2 4.21Å; E24-F28 WeakPolarHBondContact O-CD2 3.33Å; E24-F28 PolarHBondContact O-N 3.24Å; E24-F28 VanDerWaalsContact O-N 3.08Å
25W62.6Low69.7Low190 Ų190108 Ų10872%0.7254%0.537SS*.Hα-helixtrans-67-36.6-176.2-174.774.9000113.6E23 F28 V29E23-W25 VanDerWaalsContact C-N 3.33Å; E23-W25 PolarHBondContact O-N 3.18Å; W25-F28 PolarHBondContact O-N 3.34Å; W25-V29 HydrophobicContact CD2-CG2 4Å; W25-V29 HydrophobicContact CE3-CG2 4.47Å; W25-V29 HydrophobicContact CG-CG2 4.44Å; W25-V29 HydrophobicContact CH2-CG2 4.34Å; W25-V29 HydrophobicContact CZ2-CG2 3.84Å; W25-V29 WeakPolarHBondContact O-CB 3.44Å; W25-V29 VanDerWaalsContact O-CG2 3.22Å; W25-V29 WeakPolarHBondContact O-CG2 3.41Å; W25-V29 PolarHBondContact O-N 2.9Å
26L63.7Low70.2Confident92 Ų92107.6 Ų107.648%0.48253%0.532SS..Hα-helixtrans-71.9-35.3179.8-72.4172.1000111.7E23 E24 V29 N30E23-L26 HydrophobicContact CB-CB 4.49Å; E23-L26 PolarHBondContact O-N 3.01Å; E23-L26 VanDerWaalsContact O-N 3.12Å; E24-L26 PolarHBondContact O-N 3.32Å; L26-V29 PolarHBondContact O-N 3.08Å; L26-N30 WeakPolarHBondContact O-CB 3.41Å; L26-N30 PolarHBondContact O-N 3.44Å
27L65.9Low70.6Confident104 Ų104105.9 Ų105.955%0.54552%0.522SS..Hα-helixtrans-65.8-43.1173.4-70.2166.8000111.6E23 E24 D31E23-L27 PolarHBondContact O-N 2.98Å; E23-L27 VanDerWaalsContact O-N 3.11Å; E24-L27 PolarHBondContact O-N 3.29Å; L27-D31 PolarHBondContact O-N 3.27Å
28F65.6Low71Confident116 Ų116107.9 Ų107.951%0.50952%0.523SS..Hα-helixtrans-67.1-33.9176.3-73.1-61.3000113.3E24 W25 D31 I32 T35E24-F28 HydrophobicContact CB-CD2 4.44Å; E24-F28 HydrophobicContact CB-CE2 4.21Å; E24-F28 WeakPolarHBondContact O-CD2 3.33Å; E24-F28 PolarHBondContact O-N 3.24Å; E24-F28 VanDerWaalsContact O-N 3.08Å; W25-F28 PolarHBondContact O-N 3.34Å; F28-D31 CarbonylContact O-C 3.57Å; F28-D31 VanDerWaalsContact O-C 3.31Å; F28-I32 PolarHBondContact O-N 3.15Å; F28-T35 HydrophobicContact CD1-CG2 4.45Å; F28-T35 PolarHBondContact O-OG1 2.94Å; F28-T35 VanDerWaalsContact O-OG1 3.13Å
29V66.5Low71.7Confident69 Ų69102.5 Ų102.542%0.41850%0.501SS..Hα-helixtrans-76.5-38.2178.31730000111.7W25 L26 D31 I32W25-V29 HydrophobicContact CD2-CG2 4Å; W25-V29 HydrophobicContact CE3-CG2 4.47Å; W25-V29 HydrophobicContact CG-CG2 4.44Å; W25-V29 HydrophobicContact CH2-CG2 4.34Å; W25-V29 HydrophobicContact CZ2-CG2 3.84Å; W25-V29 WeakPolarHBondContact O-CB 3.44Å; W25-V29 VanDerWaalsContact O-CG2 3.22Å; W25-V29 WeakPolarHBondContact O-CG2 3.41Å; W25-V29 PolarHBondContact O-N 2.9Å; L26-V29 PolarHBondContact O-N 3.08Å; V29-D31 PolarHBondContact O-N 3.09Å; V29-I32 PolarHBondContact O-N 3.1Å
30N73.7Confident72.8Confident150 Ų150102.2 Ų102.280%0.80250%0.5SS*.Hα-helixtrans-64.3-28.7174.5-95.9-17.6000112.2L26L26-N30 WeakPolarHBondContact O-CB 3.41Å; L26-N30 PolarHBondContact O-N 3.44Å
31D79.8Confident74.2Confident75 Ų7598 Ų9840%0.40148%0.477SS..THydrogen-bonded Turntrans-111.655.5174.3-160.21.4000112.3L27 F28 V29 F33 T34 T35L27-D31 PolarHBondContact O-N 3.27Å; F28-D31 CarbonylContact O-C 3.57Å; F28-D31 VanDerWaalsContact O-C 3.31Å; V29-D31 PolarHBondContact O-N 3.09Å; D31-F33 PolarHBondContact O-N 3.38Å; D31-T34 PolarHBondContact O-N 2.81Å; D31-T34 PolarHBondContact O-OG1 3.42Å; D31-T34 WeakPolarHBondContact OD1-CG2 3.46Å; D31-T34 PolarHBondContact OD1-N 3.26Å; D31-T34 PolarHBondContact OD1-OG1 3.46Å; D31-T34 WeakPolarHBondContact OD2-CB 3.4Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.39Å; D31-T34 PolarHBondContact OD2-OG1 2.82Å; D31-T35 WeakPolarHBondContact O-CB 3.47Å; D31-T35 PolarHBondContact O-N 3.13Å; D31-T35 PolarHBondContact O-OG1 3.18Å
32I81.2Confident75.4Confident108 Ų108105.1 Ų105.155%0.55450%0.496SS*.Hα-helixtrans-60.6-32.5-178.8-164.2166.4000112.3F28 V29 L36F28-I32 PolarHBondContact O-N 3.15Å; V29-I32 PolarHBondContact O-N 3.1Å; I32-L36 HydrophobicContact CG1-CD1 3.98Å; I32-L36 HydrophobicContact CG1-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.49Å; I32-L36 VanDerWaalsContact O-CG 3.23Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.41Å
33F81.2Confident77.2Confident107 Ų107103 Ų10347%0.46948%0.481SS..Hα-helixtrans-68.9-50.2-178.3-176.8-96.2000111.5D31 T35 L36 V37 I137 A140D31-F33 PolarHBondContact O-N 3.38Å; F33-T35 VanDerWaalsContact C-N 3.31Å; F33-T35 PolarHBondContact O-N 2.76Å; F33-L36 PolarHBondContact O-N 3.11Å; F33-V37 HydrophobicContact CD1-CG2 4.46Å; F33-V37 HydrophobicContact CE1-CG2 4.13Å; F33-V37 HydrophobicContact CZ-CG2 4.24Å; F33-V37 WeakPolarHBondContact O-CG2 3.36Å; F33-V37 PolarHBondContact O-N 2.81Å; F33-I137 HydrophobicContact CD2-CG1 4.36Å; F33-I137 HydrophobicContact CE2-CG1 4.16Å; F33-A140 HydrophobicContact CZ-CB 3.92Å
34T80.7Confident78.7Confident52 Ų5296.3 Ų96.332%0.31945%0.45SS..Hα-helixtrans-65.6-39.1176.866.10000110.7D31 L36 V37 E38D31-T34 PolarHBondContact O-N 2.81Å; D31-T34 PolarHBondContact O-OG1 3.42Å; D31-T34 WeakPolarHBondContact OD1-CG2 3.46Å; D31-T34 PolarHBondContact OD1-N 3.26Å; D31-T34 PolarHBondContact OD1-OG1 3.46Å; D31-T34 WeakPolarHBondContact OD2-CB 3.4Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.39Å; D31-T34 PolarHBondContact OD2-OG1 2.82Å; T34-L36 VanDerWaalsContact C-N 3.35Å; T34-L36 PolarHBondContact O-N 2.87Å; T34-V37 CarbonylContact O-C 3.31Å; T34-V37 PolarHBondContact O-N 2.72Å; T34-V37 VanDerWaalsContact O-N 3.09Å; T34-E38 WeakPolarHBondContact O-CB 3.45Å; T34-E38 WeakPolarHBondContact O-CG 2.89Å; T34-E38 PolarHBondContact O-N 3.21Å
35T83.9Confident80.1Confident42 Ų4297.7 Ų97.726%0.25846%0.455SS..Hα-helixtrans-58.2-45.2177.9-59.60000111.7F28 D31 F33 E38 I39F28-T35 HydrophobicContact CD1-CG2 4.45Å; F28-T35 PolarHBondContact O-OG1 2.94Å; F28-T35 VanDerWaalsContact O-OG1 3.13Å; D31-T35 WeakPolarHBondContact O-CB 3.47Å; D31-T35 PolarHBondContact O-N 3.13Å; D31-T35 PolarHBondContact O-OG1 3.18Å; F33-T35 VanDerWaalsContact C-N 3.31Å; F33-T35 PolarHBondContact O-N 2.76Å; T35-E38 PolarHBondContact O-N 3.48Å; T35-I39 PolarHBondContact O-N 3.45Å; T35-I39 VanDerWaalsContact O-N 3.07Å
36L83.7Confident81.6Confident32 Ų3294.4 Ų94.417%0.16845%0.451CS..Hα-helixtrans-67.1-36.3176.3-73170.5000112.4I32 F33 T34 I39 I47 I137I32-L36 HydrophobicContact CG1-CD1 3.98Å; I32-L36 HydrophobicContact CG1-CG 4.33Å; I32-L36 WeakPolarHBondContact O-CB 3.49Å; I32-L36 VanDerWaalsContact O-CG 3.23Å; I32-L36 WeakPolarHBondContact O-CG 3.48Å; I32-L36 PolarHBondContact O-N 3.41Å; F33-L36 PolarHBondContact O-N 3.11Å; T34-L36 VanDerWaalsContact C-N 3.35Å; T34-L36 PolarHBondContact O-N 2.87Å; L36-I39 VanDerWaalsContact O-CG2 3.32Å; L36-I39 WeakPolarHBondContact O-CG2 3.4Å; L36-I47 HydrophobicContact CD2-CD1 4.16Å; L36-I47 HydrophobicContact CD2-CG2 4.36Å; L36-I137 HydrophobicContact CB-CD1 4.31Å; L36-I137 HydrophobicContact CB-CG2 4.17Å; L36-I137 HydrophobicContact CD1-CD1 3.72Å
37V84.4Confident82.9Confident15 Ų1593.3 Ų93.39%0.09144%0.444CS..Hα-helixtrans-70.3-32.2176.3170.60000112F33 T34 I137 A140 K141F33-V37 HydrophobicContact CD1-CG2 4.46Å; F33-V37 HydrophobicContact CE1-CG2 4.13Å; F33-V37 HydrophobicContact CZ-CG2 4.24Å; F33-V37 WeakPolarHBondContact O-CG2 3.36Å; F33-V37 PolarHBondContact O-N 2.81Å; T34-V37 CarbonylContact O-C 3.31Å; T34-V37 PolarHBondContact O-N 2.72Å; T34-V37 VanDerWaalsContact O-N 3.09Å; V37-I137 HydrophobicContact CG2-CG2 4.21Å; V37-A140 HydrophobicContact CG2-CB 3.97Å; V37-K141 PolarHBondContact O-NZ 2.88Å
38E82.9Confident84.2Confident160 Ų16089.1 Ų89.175%0.74842%0.422SS*.Hα-helixtrans-87.1-22.1-177.6-71-170.6172.100114.1T34 T35T34-E38 WeakPolarHBondContact O-CB 3.45Å; T34-E38 WeakPolarHBondContact O-CG 2.89Å; T34-E38 PolarHBondContact O-N 3.21Å; T35-E38 PolarHBondContact O-N 3.48Å
39I85.6Confident85.6Confident49 Ų4985.9 Ų85.925%0.25142%0.417SS..SBendtrans-60.1158.7-176.9-151.7171.8000113.1T35 L36 V43 M44 I47 K141T35-I39 PolarHBondContact O-N 3.45Å; T35-I39 VanDerWaalsContact O-N 3.07Å; L36-I39 VanDerWaalsContact O-CG2 3.32Å; L36-I39 WeakPolarHBondContact O-CG2 3.4Å; I39-V43 HydrophobicContact CD1-CB 3.76Å; I39-V43 HydrophobicContact CD1-CG1 3.39Å; I39-V43 HydrophobicContact CG1-CB 3.98Å; I39-V43 HydrophobicContact CG1-CG1 4.15Å; I39-M44 HydrophobicContact CG2-CB 3.75Å; I39-M44 HydrophobicContact CG2-CG 4.41Å; I39-I47 HydrophobicContact CD1-CD1 3.86Å; I39-K141 WeakPolarHBondContact O-CE 3.48Å; I39-K141 PolarHBondContact O-NZ 3.27Å
40R87.4Confident86.9Confident206 Ų20685.3 Ų85.378%0.77742%0.416SS*.  trans-65.3141.6176.2-64.7-173.5177.696.40.6111.1R42 V43 M44R40-R42 PolarHBondContact O-N 3.5Å; R40-R42 VanDerWaalsContact O-N 3.08Å; R40-V43 HydrophobicContact CB-CG2 4.46Å; R40-V43 PolarHBondContact O-N 3.31Å; R40-M44 PolarHBondContact O-N 2.97Å
41W88.4Confident87.9Confident92 Ų9280.1 Ų80.135%0.34839%0.391SS..Hα-helixtrans-46.4-42.8177.7-78.8101.5000113.8V43 M44 F45 K141 M142W41-V43 VanDerWaalsContact C-N 3.33Å; W41-V43 PolarHBondContact O-N 3.12Å; W41-M44 HydrophobicContact CE3-CE 3.45Å; W41-M44 VanDerWaalsContact CE3-CE 3.45Å; W41-M44 HydrophobicContact CE3-SD 4.39Å; W41-M44 HydrophobicContact CH2-CE 4.5Å; W41-M44 HydrophobicContact CZ3-CE 3.43Å; W41-M44 VanDerWaalsContact CZ3-CE 3.43Å; W41-M44 HydrophobicContact CZ3-SD 4.42Å; W41-M44 PolarHBondContact O-N 2.94Å; W41-F45 HydrophobicContact CB-CD2 4.48Å; W41-F45 HydrophobicContact CB-CE2 4.22Å; W41-F45 HydrophobicContact CD2-CE2 4.45Å; W41-F45 HydrophobicContact CE3-CD2 4.5Å; W41-F45 HydrophobicContact CE3-CE1 4.24Å; W41-F45 AromaticContact CE3-CE2 3.63Å; W41-F45 HydrophobicContact CE3-CE2 3.63Å; W41-F45 AromaticContact CE3-CZ 3.47Å; W41-F45 HydrophobicContact CE3-CZ 3.47Å; W41-F45 VanDerWaalsContact CE3-CZ 3.47Å; W41-F45 HydrophobicContact CZ3-CE1 4.34Å; W41-F45 HydrophobicContact CZ3-CE2 4.39Å; W41-F45 AromaticContact CZ3-CZ 3.78Å; W41-F45 HydrophobicContact CZ3-CZ 3.78Å; W41-F45 WeakPolarHBondContact O-CD2 3.42Å; W41-F45 WeakPolarHBondContact O-CG 3.47Å; W41-F45 PolarHBondContact O-N 3.42Å; W41-K141 HydrophobicContact CD2-CD 3.95Å; W41-K141 HydrophobicContact CE3-CD 4.07Å; W41-K141 HydrophobicContact CH2-CB 4.49Å; W41-K141 HydrophobicContact CH2-CD 3.92Å; W41-K141 HydrophobicContact CH2-CG 4.12Å; W41-K141 HydrophobicContact CZ2-CD 3.78Å; W41-K141 HydrophobicContact CZ2-CG 3.77Å; W41-K141 HydrophobicContact CZ3-CD 4.07Å; W41-M142 HydrophobicContact CH2-CG 3.75Å; W41-M142 HydrophobicContact CZ2-CG 4.18Å
42R91.4Very high88.6Confident217 Ų21778.9 Ų78.982%0.81938%0.381SS*.Hα-helixtrans-58.7-43.3178.5-60.6-176.1-170.6-177.71.2112.6R40 L46R40-R42 PolarHBondContact O-N 3.5Å; R40-R42 VanDerWaalsContact O-N 3.08Å; R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.5Å; R42-L46 PolarHBondContact O-N 3.14Å
43V91.1Very high89.3Confident62 Ų6278 Ų7838%0.37638%0.377SS..Hα-helixtrans-75.6-37.5-179.1-170.40000110.2I39 R40 W41 F45 L46 I47I39-V43 HydrophobicContact CD1-CB 3.76Å; I39-V43 HydrophobicContact CD1-CG1 3.39Å; I39-V43 HydrophobicContact CG1-CB 3.98Å; I39-V43 HydrophobicContact CG1-CG1 4.15Å; R40-V43 HydrophobicContact CB-CG2 4.46Å; R40-V43 PolarHBondContact O-N 3.31Å; W41-V43 VanDerWaalsContact C-N 3.33Å; W41-V43 PolarHBondContact O-N 3.12Å; V43-F45 PolarHBondContact O-N 2.89Å; V43-L46 PolarHBondContact O-N 2.82Å; V43-I47 HydrophobicContact CG1-CD1 4.01Å; V43-I47 HydrophobicContact CG1-CG1 4.38Å; V43-I47 WeakPolarHBondContact O-CG1 3.35Å; V43-I47 PolarHBondContact O-N 2.83Å
44M90.5Very high90Very high0 Ų077.8 Ų77.80%038%0.38CS..Hα-helixtrans-57.5-49.9174.2-170-164.576.600111.8I39 R40 W41 L46 I47 F48 I137 V138 K141I39-M44 HydrophobicContact CG2-CB 3.75Å; I39-M44 HydrophobicContact CG2-CG 4.41Å; R40-M44 PolarHBondContact O-N 2.97Å; W41-M44 HydrophobicContact CE3-CE 3.45Å; W41-M44 VanDerWaalsContact CE3-CE 3.45Å; W41-M44 HydrophobicContact CE3-SD 4.39Å; W41-M44 HydrophobicContact CH2-CE 4.5Å; W41-M44 HydrophobicContact CZ3-CE 3.43Å; W41-M44 VanDerWaalsContact CZ3-CE 3.43Å; W41-M44 HydrophobicContact CZ3-SD 4.42Å; W41-M44 PolarHBondContact O-N 2.94Å; M44-L46 VanDerWaalsContact C-N 3.29Å; M44-L46 PolarHBondContact O-N 3.07Å; M44-I47 PolarHBondContact O-N 2.78Å; M44-F48 HydrophobicContact CE-CD2 4.13Å; M44-F48 HydrophobicContact CE-CE2 3.72Å; M44-F48 HydrophobicContact CG-CD2 3.98Å; M44-F48 HydrophobicContact CG-CE1 4.46Å; M44-F48 HydrophobicContact CG-CE2 3.43Å; M44-F48 VanDerWaalsContact CG-CE2 3.43Å; M44-F48 HydrophobicContact CG-CZ 3.71Å; M44-F48 WeakPolarHBondContact O-CG 3.49Å; M44-F48 PolarHBondContact O-N 2.62Å; M44-F48 HydrophobicContact SD-CD2 4.49Å; M44-F48 HydrophobicContact SD-CE2 3.64Å; M44-F48 HydrophobicContact SD-CZ 4.14Å; M44-I137 HydrophobicContact SD-CG2 4.37Å; M44-V138 HydrophobicContact CE-CG2 3.9Å; M44-K141 HydrophobicContact CE-CD 4.18Å; M44-K141 HydrophobicContact SD-CD 3.26Å; M44-K141 WeakPolarHBondContact SD-CD 3.28Å
45F91.4Very high90.8Very high114 Ų11476 Ų7650%0.537%0.369SS..Hα-helixtrans-62.2-36.3177.6-70.2-51.8000112.4W41 V43 A49W41-F45 HydrophobicContact CB-CD2 4.48Å; W41-F45 HydrophobicContact CB-CE2 4.22Å; W41-F45 HydrophobicContact CD2-CE2 4.45Å; W41-F45 HydrophobicContact CE3-CD2 4.5Å; W41-F45 HydrophobicContact CE3-CE1 4.24Å; W41-F45 AromaticContact CE3-CE2 3.63Å; W41-F45 HydrophobicContact CE3-CE2 3.63Å; W41-F45 AromaticContact CE3-CZ 3.47Å; W41-F45 HydrophobicContact CE3-CZ 3.47Å; W41-F45 VanDerWaalsContact CE3-CZ 3.47Å; W41-F45 HydrophobicContact CZ3-CE1 4.34Å; W41-F45 HydrophobicContact CZ3-CE2 4.39Å; W41-F45 AromaticContact CZ3-CZ 3.78Å; W41-F45 HydrophobicContact CZ3-CZ 3.78Å; W41-F45 WeakPolarHBondContact O-CD2 3.42Å; W41-F45 WeakPolarHBondContact O-CG 3.47Å; W41-F45 PolarHBondContact O-N 3.42Å; V43-F45 PolarHBondContact O-N 2.89Å; F45-A49 VanDerWaalsContact O-CB 3.25Å; F45-A49 WeakPolarHBondContact O-CB 3.34Å; F45-A49 PolarHBondContact O-N 2.9Å
46L93.8Very high91.4Very high120 Ų12076 Ų7663%0.62837%0.365SS*.Hα-helixtrans-65.9-42.3174.3-73.6172.4000112.4R42 V43 M44 S50R42-L46 VanDerWaalsContact O-CG 3.31Å; R42-L46 WeakPolarHBondContact O-CG 3.5Å; R42-L46 PolarHBondContact O-N 3.14Å; V43-L46 PolarHBondContact O-N 2.82Å; M44-L46 VanDerWaalsContact C-N 3.29Å; M44-L46 PolarHBondContact O-N 3.07Å; L46-S50 VanDerWaalsContact O-CB 3.24Å; L46-S50 WeakPolarHBondContact O-CB 3.42Å; L46-S50 PolarHBondContact O-N 3.08Å
47I92.2Very high92.1Very high69 Ų6977.7 Ų77.735%0.35437%0.373SS..Hα-helixtrans-62-46.6177.1-69.4167000110.2L36 I39 V43 M44 S50 S51L36-I47 HydrophobicContact CD2-CD1 4.16Å; L36-I47 HydrophobicContact CD2-CG2 4.36Å; I39-I47 HydrophobicContact CD1-CD1 3.86Å; V43-I47 HydrophobicContact CG1-CD1 4.01Å; V43-I47 HydrophobicContact CG1-CG1 4.38Å; V43-I47 WeakPolarHBondContact O-CG1 3.35Å; V43-I47 PolarHBondContact O-N 2.83Å; M44-I47 PolarHBondContact O-N 2.78Å; I47-S50 PolarHBondContact O-N 2.84Å; I47-S51 PolarHBondContact O-N 2.81Å
48F93Very high92.7Very high17 Ų1782.9 Ų82.98%0.07540%0.395CS..Hα-helixtrans-67.3-43.1178.8-63.7-22.3000112.8M44 S50 S51 Y52 V134 I137 V138M44-F48 HydrophobicContact CE-CD2 4.13Å; M44-F48 HydrophobicContact CE-CE2 3.72Å; M44-F48 HydrophobicContact CG-CD2 3.98Å; M44-F48 HydrophobicContact CG-CE1 4.46Å; M44-F48 HydrophobicContact CG-CE2 3.43Å; M44-F48 VanDerWaalsContact CG-CE2 3.43Å; M44-F48 HydrophobicContact CG-CZ 3.71Å; M44-F48 WeakPolarHBondContact O-CG 3.49Å; M44-F48 PolarHBondContact O-N 2.62Å; M44-F48 HydrophobicContact SD-CD2 4.49Å; M44-F48 HydrophobicContact SD-CE2 3.64Å; M44-F48 HydrophobicContact SD-CZ 4.14Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 3.45Å; F48-S51 WeakPolarHBondContact CA-OG 3.44Å; F48-S51 PolarHBondContact O-N 2.77Å; F48-S51 PolarHBondContact O-OG 2.8Å; F48-Y52 WeakPolarHBondContact O-CD2 3.47Å; F48-Y52 PolarHBondContact O-N 2.98Å; F48-Y52 VanDerWaalsContact O-N 3.14Å; F48-V134 HydrophobicContact CB-CG2 4.32Å; F48-V134 HydrophobicContact CD1-CG2 3.9Å; F48-V134 HydrophobicContact CD2-CG1 3.82Å; F48-V134 HydrophobicContact CD2-CG2 4.37Å; F48-V134 HydrophobicContact CE1-CG2 4.26Å; F48-V134 HydrophobicContact CE2-CG1 4.1Å; F48-V134 HydrophobicContact CG-CG1 4.19Å; F48-V134 HydrophobicContact CG-CG2 3.96Å; F48-I137 HydrophobicContact CE1-CD1 4.04Å; F48-I137 HydrophobicContact CE2-CG2 4.46Å; F48-I137 HydrophobicContact CZ-CB 3.85Å; F48-I137 HydrophobicContact CZ-CD1 3.98Å; F48-I137 HydrophobicContact CZ-CG2 3.71Å; F48-V138 HydrophobicContact CD2-CG2 4.47Å; F48-V138 HydrophobicContact CE2-CG2 3.86Å
49A94.3Very high93.3Very high48 Ų4875.5 Ų75.540%0.39736%0.36SS..Hα-helixtrans-59.7-42.3173.700000111.1F45 Y52 I53F45-A49 VanDerWaalsContact O-CB 3.25Å; F45-A49 WeakPolarHBondContact O-CB 3.34Å; F45-A49 PolarHBondContact O-N 2.9Å; A49-Y52 PolarHBondContact O-N 3.04Å; A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 3.37Å
50S94.9Very high93.9Very high56 Ų5673.2 Ų73.239%0.39235%0.348SS..Hα-helixtrans-63.9-39.3175.8-1700000112.2L46 I47 F48 I53 L54L46-S50 VanDerWaalsContact O-CB 3.24Å; L46-S50 WeakPolarHBondContact O-CB 3.42Å; L46-S50 PolarHBondContact O-N 3.08Å; I47-S50 PolarHBondContact O-N 2.84Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 3.45Å; S50-I53 PolarHBondContact O-N 3.49Å; S50-L54 VanDerWaalsContact O-CB 3.26Å; S50-L54 WeakPolarHBondContact O-CB 3.32Å; S50-L54 WeakPolarHBondContact O-CD1 3.35Å; S50-L54 WeakPolarHBondContact O-CG 3.47Å; S50-L54 PolarHBondContact O-N 3.08Å
51S94.4Very high94.3Very high41 Ų4167.1 Ų67.129%0.28733%0.331SS..Hα-helixtrans-65.2-40.9179.460.90000112.2I47 F48 S55I47-S51 PolarHBondContact O-N 2.81Å; F48-S51 WeakPolarHBondContact CA-OG 3.44Å; F48-S51 PolarHBondContact O-N 2.77Å; F48-S51 PolarHBondContact O-OG 2.8Å; S51-S55 WeakPolarHBondContact O-CB 3.39Å; S51-S55 PolarHBondContact O-N 2.86Å; S51-S55 PolarHBondContact O-OG 3.04Å
52Y94.9Very high94.7Very high49 Ų4965.2 Ų65.219%0.19233%0.327CS..Hα-helixtrans-65.2-47.4174.4-76.5-68.1000112.4F48 A49 L54 S55 W56 I130 D131 V134F48-Y52 WeakPolarHBondContact O-CD2 3.47Å; F48-Y52 PolarHBondContact O-N 2.98Å; F48-Y52 VanDerWaalsContact O-N 3.14Å; A49-Y52 PolarHBondContact O-N 3.04Å; Y52-L54 VanDerWaalsContact C-N 3.33Å; Y52-L54 PolarHBondContact O-N 3.47Å; Y52-S55 PolarHBondContact O-N 3.26Å; Y52-S55 PolarHBondContact O-OG 3.07Å; Y52-W56 HydrophobicContact CD1-CZ2 4.33Å; Y52-W56 HydrophobicContact CG-CZ2 4.37Å; Y52-W56 VanDerWaalsContact O-CD2 3.23Å; Y52-W56 PolarHBondContact O-N 2.79Å; Y52-I130 HydrophobicContact CD1-CG2 4.22Å; Y52-I130 HydrophobicContact CE1-CG2 3.78Å; Y52-D131 WeakPolarHBondContact CE1-OD1 3.29Å; Y52-D131 VanDerWaalsContact CZ-OD1 3.29Å; Y52-D131 PolarHBondContact OH-OD1 3.04Å; Y52-V134 HydrophobicContact CE2-CG2 4.09Å
53I95.7Very high94.8Very high91 Ų9155 Ų5547%0.46729%0.289SS..Hα-helixtrans-63.2-42-179.5-67.1166.9000110.8A49 S50 W56 L57A49-I53 VanDerWaalsContact O-CG1 3.28Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 3.37Å; S50-I53 PolarHBondContact O-N 3.49Å; I53-W56 HydrophobicContact CG1-CE3 4.21Å; I53-W56 HydrophobicContact CG1-CZ3 4.06Å; I53-W56 PolarHBondContact O-N 3.09Å; I53-L57 VanDerWaalsContact O-CB 3.31Å; I53-L57 WeakPolarHBondContact O-CB 3.44Å; I53-L57 PolarHBondContact O-N 2.85Å
54L96.4Very high95Very high102 Ų10254.5 Ų54.553%0.53428%0.282SS..Hα-helixtrans-66.7-36.8178.2-71.5171.8000112.2S50 Y52 L57 F58S50-L54 VanDerWaalsContact O-CB 3.26Å; S50-L54 WeakPolarHBondContact O-CB 3.32Å; S50-L54 WeakPolarHBondContact O-CD1 3.35Å; S50-L54 WeakPolarHBondContact O-CG 3.47Å; S50-L54 PolarHBondContact O-N 3.08Å; Y52-L54 VanDerWaalsContact C-N 3.33Å; Y52-L54 PolarHBondContact O-N 3.47Å; L54-L57 PolarHBondContact O-N 2.99Å; L54-F58 VanDerWaalsContact O-CB 3.32Å; L54-F58 WeakPolarHBondContact O-CB 3.42Å; L54-F58 PolarHBondContact O-N 2.79Å
55S96.6Very high95.2Very high13 Ų1358.2 Ų58.29%0.09130%0.304CS..Hα-helixtrans-68.3-44.7175.968.90000111.8S51 Y52 L57 F58 F59 Q99S51-S55 WeakPolarHBondContact O-CB 3.39Å; S51-S55 PolarHBondContact O-N 2.86Å; S51-S55 PolarHBondContact O-OG 3.04Å; Y52-S55 PolarHBondContact O-N 3.26Å; Y52-S55 PolarHBondContact O-OG 3.07Å; S55-L57 VanDerWaalsContact C-N 3.28Å; S55-L57 PolarHBondContact O-N 3.03Å; S55-F58 PolarHBondContact O-N 2.81Å; S55-F59 WeakPolarHBondContact O-CD2 3.31Å; S55-F59 PolarHBondContact O-N 2.97Å; S55-Q99 VanDerWaalsContact OG-CD 3.28Å; S55-Q99 PolarHBondContact OG-NE2 2.94Å; S55-Q99 PolarHBondContact OG-OE1 3.12Å
56W96.8Very high95.3Very high44 Ų4453.8 Ų53.817%0.16729%0.285CS..Hα-helixtrans-60.2-39.5174.6-57.9-28.5000111.7Y52 I53 G60 F92 S95 L96 Q99 T100Y52-W56 HydrophobicContact CD1-CZ2 4.33Å; Y52-W56 HydrophobicContact CG-CZ2 4.37Å; Y52-W56 VanDerWaalsContact O-CD2 3.23Å; Y52-W56 PolarHBondContact O-N 2.79Å; I53-W56 HydrophobicContact CG1-CE3 4.21Å; I53-W56 HydrophobicContact CG1-CZ3 4.06Å; I53-W56 PolarHBondContact O-N 3.09Å; W56-G60 WeakPolarHBondContact O-CA 3.33Å; W56-G60 PolarHBondContact O-N 3.19Å; W56-F92 HydrophobicContact CB-CD2 4.31Å; W56-F92 HydrophobicContact CB-CE2 3.68Å; W56-F92 HydrophobicContact CB-CZ 4.32Å; W56-F92 HydrophobicContact CE3-CZ 4.3Å; W56-S95 PolarHBondContact O-OG 2.85Å; W56-L96 HydrophobicContact CD2-CB 4.33Å; W56-L96 HydrophobicContact CD2-CD1 4.2Å; W56-L96 HydrophobicContact CD2-CG 4.05Å; W56-L96 HydrophobicContact CE3-CD1 3.8Å; W56-L96 HydrophobicContact CE3-CG 4.17Å; W56-L96 HydrophobicContact CG-CB 4.26Å; W56-L96 HydrophobicContact CG-CG 4.49Å; W56-L96 HydrophobicContact CH2-CD1 4.43Å; W56-L96 HydrophobicContact CZ2-CG 4.47Å; W56-L96 HydrophobicContact CZ3-CD1 3.93Å; W56-L96 HydrophobicContact CZ3-CG 4.43Å; W56-Q99 VanDerWaalsContact CD1-CD 3.49Å; W56-T100 HydrophobicContact CZ2-CG2 3.58Å
57L97.1Very high95.2Very high66 Ų6648.3 Ų48.335%0.34626%0.257SS..Hα-helixtrans-65.6-46.1176.4-17075.4000111.3I53 L54 S55 G60 I61 F88 F92I53-L57 VanDerWaalsContact O-CB 3.31Å; I53-L57 WeakPolarHBondContact O-CB 3.44Å; I53-L57 PolarHBondContact O-N 2.85Å; L54-L57 PolarHBondContact O-N 2.99Å; S55-L57 VanDerWaalsContact C-N 3.28Å; S55-L57 PolarHBondContact O-N 3.03Å; L57-G60 PolarHBondContact O-N 3.27Å; L57-I61 HydrophobicContact CG-CD1 4.06Å; L57-I61 WeakPolarHBondContact O-CB 3.49Å; L57-I61 WeakPolarHBondContact O-CG1 3.34Å; L57-I61 PolarHBondContact O-N 3.09Å; L57-F88 HydrophobicContact CD1-CE1 4.49Å; L57-F88 HydrophobicContact CD1-CZ 3.8Å; L57-F92 HydrophobicContact CD1-CD2 4.48Å
58F97.4Very high95.2Very high125 Ų12549.3 Ų49.355%0.54826%0.263SS..Hα-helixtrans-60.2-51.4-179.5173.8-100.4000112L54 S55 I61 L62L54-F58 VanDerWaalsContact O-CB 3.32Å; L54-F58 WeakPolarHBondContact O-CB 3.42Å; L54-F58 PolarHBondContact O-N 2.79Å; S55-F58 PolarHBondContact O-N 2.81Å; F58-I61 PolarHBondContact O-N 2.91Å; F58-L62 PolarHBondContact O-N 2.78Å; F58-L62 VanDerWaalsContact O-N 3.07Å
59F96.8Very high95.1Very high5 Ų552.7 Ų52.72%0.02229%0.294CS..Hα-helixtrans-71.2-34.2178.4-76.5-70.3000112.4S55 I61 L62 F63 S95 I119 Q123 I126S55-F59 WeakPolarHBondContact O-CD2 3.31Å; S55-F59 PolarHBondContact O-N 2.97Å; F59-I61 VanDerWaalsContact C-N 3.34Å; F59-I61 PolarHBondContact O-N 3.19Å; F59-L62 HydrophobicContact CD1-CD2 4.42Å; F59-L62 WeakPolarHBondContact O-CB 3.33Å; F59-L62 PolarHBondContact O-N 2.86Å; F59-L62 VanDerWaalsContact O-N 3.14Å; F59-F63 WeakPolarHBondContact O-CD2 3.38Å; F59-F63 PolarHBondContact O-N 2.87Å; F59-S95 WeakPolarHBondContact CB-OG 2.9Å; F59-I119 HydrophobicContact CD1-CG2 4.18Å; F59-Q123 HydrophobicContact CB-CG 4.39Å; F59-Q123 HydrophobicContact CD1-CB 3.73Å; F59-Q123 HydrophobicContact CD1-CG 4.03Å; F59-Q123 HydrophobicContact CD2-CB 4.23Å; F59-Q123 HydrophobicContact CD2-CG 3.75Å; F59-Q123 HydrophobicContact CE1-CB 3.61Å; F59-Q123 HydrophobicContact CE1-CG 4.22Å; F59-Q123 HydrophobicContact CE2-CB 4.13Å; F59-Q123 HydrophobicContact CE2-CG 3.96Å; F59-Q123 HydrophobicContact CG-CB 4.05Å; F59-Q123 HydrophobicContact CG-CG 3.8Å; F59-Q123 HydrophobicContact CZ-CB 3.83Å; F59-Q123 HydrophobicContact CZ-CG 4.19Å; F59-I126 HydrophobicContact CE2-CG2 4.28Å; F59-I126 HydrophobicContact CZ-CB 4.43Å; F59-I126 HydrophobicContact CZ-CD1 3.95Å
60G96.5Very high94.8Very high0 Ų054.1 Ų54.10%029%0.292CS..Hα-helixtrans-59.8-42.1171.500000112.6W56 L57 L62 F64 A91 S95W56-G60 WeakPolarHBondContact O-CA 3.33Å; W56-G60 PolarHBondContact O-N 3.19Å; L57-G60 PolarHBondContact O-N 3.27Å; G60-L62 VanDerWaalsContact C-N 3.34Å; G60-F64 VanDerWaalsContact O-CB 3.32Å; G60-F64 WeakPolarHBondContact O-CB 3.15Å; G60-F64 PolarHBondContact O-N 2.94Å; G60-A91 WeakPolarHBondContact O-CB 2.97Å; G60-S95 PolarHBondContact N-OG 2.9Å
61I96.6Very high94.5Very high79 Ų7952.5 Ų52.541%0.40529%0.285SS..Hα-helixtrans-62.1-43.5172.5-70.1163.9000110.2L57 F58 F59 F64 V65 F88L57-I61 HydrophobicContact CG-CD1 4.06Å; L57-I61 WeakPolarHBondContact O-CB 3.49Å; L57-I61 WeakPolarHBondContact O-CG1 3.34Å; L57-I61 PolarHBondContact O-N 3.09Å; F58-I61 PolarHBondContact O-N 2.91Å; F59-I61 VanDerWaalsContact C-N 3.34Å; F59-I61 PolarHBondContact O-N 3.19Å; I61-F64 WeakPolarHBondContact O-CB 3.43Å; I61-F64 PolarHBondContact O-N 3.07Å; I61-V65 HydrophobicContact CG2-CG2 4.33Å; I61-V65 WeakPolarHBondContact O-CG2 3.37Å; I61-V65 PolarHBondContact O-N 3.13Å; I61-F88 HydrophobicContact CG1-CE2 3.72Å; I61-F88 HydrophobicContact CG1-CZ 4.29Å
62L96.2Very high94.1Very high52 Ų5250.7 Ų50.727%0.27227%0.272SS..Hα-helixtrans-63.6-45.1-178.4-171.154.3000112.2F58 F59 G60 F64 V65 I66 I119F58-L62 PolarHBondContact O-N 2.78Å; F58-L62 VanDerWaalsContact O-N 3.07Å; F59-L62 HydrophobicContact CD1-CD2 4.42Å; F59-L62 WeakPolarHBondContact O-CB 3.33Å; F59-L62 PolarHBondContact O-N 2.86Å; F59-L62 VanDerWaalsContact O-N 3.14Å; G60-L62 VanDerWaalsContact C-N 3.34Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.34Å; L62-V65 PolarHBondContact O-N 3.07Å; L62-I66 HydrophobicContact CG-CD1 4.48Å; L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.26Å; L62-I66 PolarHBondContact O-N 3.35Å; L62-I119 HydrophobicContact CD2-CB 4.34Å; L62-I119 HydrophobicContact CD2-CD1 3.64Å; L62-I119 HydrophobicContact CD2-CG1 3.86Å; L62-I119 HydrophobicContact CD2-CG2 3.51Å; L62-I119 HydrophobicContact CG-CD1 4.45Å; L62-I119 HydrophobicContact CG-CG1 4.24Å; L62-I119 HydrophobicContact CG-CG2 3.96Å
63F95.2Very high93.6Very high3 Ų350.6 Ų50.61%0.01327%0.274CS..Hα-helixtrans-65.5-36.1173.5-70.6-56.6000112.8F59 V65 I66 A67 V82 A91 F94 M109 I119 V120F59-F63 WeakPolarHBondContact O-CD2 3.38Å; F59-F63 PolarHBondContact O-N 2.87Å; F63-V65 VanDerWaalsContact C-N 3.34Å; F63-I66 HydrophobicContact CD1-CD1 4.27Å; F63-I66 PolarHBondContact O-N 2.68Å; F63-A67 WeakPolarHBondContact O-CB 3.29Å; F63-A67 PolarHBondContact O-N 2.81Å; F63-V82 HydrophobicContact CD1-CG2 4.49Å; F63-A91 HydrophobicContact CB-CB 4.45Å; F63-F94 HydrophobicContact CD1-CD1 4.49Å; F63-F94 HydrophobicContact CD1-CE1 4.16Å; F63-F94 AromaticContact CD2-CD1 3.69Å; F63-F94 HydrophobicContact CD2-CD1 3.69Å; F63-F94 AromaticContact CD2-CE1 3.93Å; F63-F94 HydrophobicContact CD2-CE1 3.93Å; F63-F94 AromaticContact CE1-CE1 3.95Å; F63-F94 HydrophobicContact CE1-CE1 3.95Å; F63-F94 AromaticContact CE2-CD1 3.78Å; F63-F94 HydrophobicContact CE2-CD1 3.78Å; F63-F94 AromaticContact CE2-CE1 3.64Å; F63-F94 HydrophobicContact CE2-CE1 3.64Å; F63-F94 HydrophobicContact CG-CD1 4.06Å; F63-F94 HydrophobicContact CG-CE1 4.17Å; F63-F94 HydrophobicContact CZ-CD1 4.29Å; F63-F94 AromaticContact CZ-CE1 3.69Å; F63-F94 HydrophobicContact CZ-CE1 3.69Å; F63-M109 HydrophobicContact CE1-CE 4.01Å; F63-M109 HydrophobicContact CZ-CE 4.34Å; F63-I119 HydrophobicContact CD1-CG2 4.42Å; F63-I119 HydrophobicContact CE1-CB 4.31Å; F63-I119 HydrophobicContact CE1-CG2 3.8Å; F63-I119 HydrophobicContact CZ-CG2 3.92Å; F63-V120 HydrophobicContact CZ-CB 4.03Å; F63-V120 HydrophobicContact CZ-CG2 4.33Å
64F95Very high93Very high51 Ų5155.3 Ų55.322%0.22429%0.291CS..Hα-helixtrans-64-40.6174.7-174.8-115.6000111.8G60 I61 L62 A67 L68 I73 F88 A91G60-F64 VanDerWaalsContact O-CB 3.32Å; G60-F64 WeakPolarHBondContact O-CB 3.15Å; G60-F64 PolarHBondContact O-N 2.94Å; I61-F64 WeakPolarHBondContact O-CB 3.43Å; I61-F64 PolarHBondContact O-N 3.07Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.34Å; F64-A67 PolarHBondContact O-N 2.79Å; F64-L68 HydrophobicContact CD1-CD1 3.86Å; F64-L68 HydrophobicContact CE1-CD1 3.49Å; F64-L68 VanDerWaalsContact CE1-CD1 3.49Å; F64-L68 HydrophobicContact CE1-CG 4.22Å; F64-L68 HydrophobicContact CE2-CG 4.48Å; F64-L68 HydrophobicContact CZ-CD1 3.9Å; F64-L68 HydrophobicContact CZ-CD2 4.38Å; F64-L68 HydrophobicContact CZ-CG 4.18Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CG 3.47Å; F64-L68 PolarHBondContact O-N 2.79Å; F64-I73 HydrophobicContact CD2-CD1 3.96Å; F64-I73 HydrophobicContact CE2-CD1 3.46Å; F64-I73 VanDerWaalsContact CE2-CD1 3.46Å; F64-I73 HydrophobicContact CZ-CD1 4.17Å; F64-F88 HydrophobicContact CB-CD2 4.3Å; F64-F88 HydrophobicContact CD1-CD2 4.07Å; F64-F88 HydrophobicContact CD2-CB 4.21Å; F64-F88 HydrophobicContact CE1-CB 4.43Å; F64-F88 HydrophobicContact CE2-CB 4.13Å; F64-F88 HydrophobicContact CG-CB 4.41Å; F64-F88 HydrophobicContact CG-CD2 4.1Å; F64-F88 HydrophobicContact CZ-CB 4.24Å; F64-A91 HydrophobicContact CB-CB 3.8Å; F64-A91 HydrophobicContact CD2-CB 4.43Å
65V94.6Very high92.2Very high78 Ų7854.4 Ų54.447%0.47329%0.287SS..Hα-helixtrans-64.7-40.9174.4170.70000111.2I61 L62 F63 L68 A69I61-V65 HydrophobicContact CG2-CG2 4.33Å; I61-V65 WeakPolarHBondContact O-CG2 3.37Å; I61-V65 PolarHBondContact O-N 3.13Å; L62-V65 PolarHBondContact O-N 3.07Å; F63-V65 VanDerWaalsContact C-N 3.34Å; V65-L68 PolarHBondContact O-N 2.79Å; V65-A69 VanDerWaalsContact O-CB 3.3Å; V65-A69 WeakPolarHBondContact O-CB 3.3Å; V65-A69 PolarHBondContact O-N 2.57Å
66I92.9Very high91.1Very high21 Ų2160.5 Ų60.511%0.10831%0.314CS..Hα-helixtrans-61-47.6175.1-68.6165.3000110.6L62 F63 L68 A69 H70 C81 I115 A116 I119L62-I66 HydrophobicContact CG-CD1 4.48Å; L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.26Å; L62-I66 PolarHBondContact O-N 3.35Å; F63-I66 HydrophobicContact CD1-CD1 4.27Å; F63-I66 PolarHBondContact O-N 2.68Å; I66-L68 VanDerWaalsContact C-N 3.32Å; I66-L68 PolarHBondContact O-N 2.95Å; I66-A69 PolarHBondContact O-N 2.99Å; I66-H70 WeakPolarHBondContact O-CB 3.3Å; I66-H70 PolarHBondContact O-N 2.97Å; I66-C81 HydrophobicContact CG2-CB 4.22Å; I66-I115 HydrophobicContact CD1-CG2 4.19Å; I66-I115 HydrophobicContact CG1-CG2 4.42Å; I66-A116 HydrophobicContact CG2-CB 4.44Å; I66-I119 HydrophobicContact CD1-CB 4.38Å; I66-I119 HydrophobicContact CD1-CG1 3.99Å
67A91.8Very high90.1Very high4 Ų465.6 Ų65.63%0.03334%0.344CS..Hα-helixtrans-61.7-38.3177.700000112.3F63 F64 G71 D72 I73F63-A67 WeakPolarHBondContact O-CB 3.29Å; F63-A67 PolarHBondContact O-N 2.81Å; F64-A67 PolarHBondContact O-N 2.79Å; A67-G71 PolarHBondContact O-N 2.71Å; A67-G71 VanDerWaalsContact O-N 3.14Å; A67-D72 HydrophobicContact CB-CB 4.15Å; A67-D72 PolarHBondContact O-N 2.83Å; A67-I73 HydrophobicContact CB-CD1 4.15Å; A67-I73 HydrophobicContact CB-CG1 4.32Å
68L91.4Very high89.3Confident90 Ų9065.2 Ų65.247%0.47134%0.342SS..Hα-helixtrans-67.4-42.6174.3-77173.3000112.6F64 V65 I66 G71 I73F64-L68 HydrophobicContact CD1-CD1 3.86Å; F64-L68 HydrophobicContact CE1-CD1 3.49Å; F64-L68 VanDerWaalsContact CE1-CD1 3.49Å; F64-L68 HydrophobicContact CE1-CG 4.22Å; F64-L68 HydrophobicContact CE2-CG 4.48Å; F64-L68 HydrophobicContact CZ-CD1 3.9Å; F64-L68 HydrophobicContact CZ-CD2 4.38Å; F64-L68 HydrophobicContact CZ-CG 4.18Å; F64-L68 WeakPolarHBondContact O-CB 3.31Å; F64-L68 WeakPolarHBondContact O-CG 3.47Å; F64-L68 PolarHBondContact O-N 2.79Å; V65-L68 PolarHBondContact O-N 2.79Å; I66-L68 VanDerWaalsContact C-N 3.32Å; I66-L68 PolarHBondContact O-N 2.95Å; L68-G71 PolarHBondContact O-N 2.59Å; L68-I73 HydrophobicContact CD2-CD1 3.46Å; L68-I73 VanDerWaalsContact CD2-CD1 3.46Å; L68-I73 HydrophobicContact CG-CD1 3.67Å
69A90.6Very high88.8Confident89 Ų8964.2 Ų64.274%0.73634%0.343SS*.Hα-helixtrans-70.5-37.3-177.800000112.4V65 I66 G71V65-A69 VanDerWaalsContact O-CB 3.3Å; V65-A69 WeakPolarHBondContact O-CB 3.3Å; V65-A69 PolarHBondContact O-N 2.57Å; I66-A69 PolarHBondContact O-N 2.99Å; A69-G71 VanDerWaalsContact C-N 3.33Å
70H88.9Confident88.5Confident77 Ų7764.5 Ų64.536%0.35635%0.345SS..Hα-helixtrans-77.1-19.9176-165.6-104.5000112.9I66 D72 N78I66-H70 WeakPolarHBondContact O-CB 3.3Å; I66-H70 PolarHBondContact O-N 2.97Å; H70-D72 IonicContact CE1-OD1 3.67Å; H70-D72 IonicContact CG-OD1 3.6Å; H70-D72 IonicContact ND1-OD1 2.68Å; H70-D72 PolarHBondContact ND1-OD1 2.85Å; H70-D72 IonicContact ND1-OD2 3.81Å; H70-N78 PolarHBondContact CE1-ND2 2.73Å; H70-N78 PolarHBondContact ND1-ND2 3.05Å
71G88.4Confident88.2Confident23 Ų2364.6 Ų64.624%0.23735%0.346CS..THydrogen-bonded Turntrans91.39-179.900000114.5A67 L68 A69 I73 K74 D75A67-G71 PolarHBondContact O-N 2.71Å; A67-G71 VanDerWaalsContact O-N 3.14Å; L68-G71 PolarHBondContact O-N 2.59Å; A69-G71 VanDerWaalsContact C-N 3.33Å; G71-I73 PolarHBondContact O-N 2.78Å; G71-K74 PolarHBondContact O-N 2.88Å; G71-D75 PolarHBondContact O-N 3.16Å
72D86.6Confident87.9Confident3 Ų361.2 Ų61.22%0.01633%0.329CS..THydrogen-bonded Turntrans-59.8-18.3-177-66.3-11.6000113.9A67 H70 P80 C81 R86A67-D72 HydrophobicContact CB-CB 4.15Å; A67-D72 PolarHBondContact O-N 2.83Å; H70-D72 IonicContact CE1-OD1 3.67Å; H70-D72 IonicContact CG-OD1 3.6Å; H70-D72 IonicContact ND1-OD1 2.68Å; H70-D72 PolarHBondContact ND1-OD1 2.85Å; H70-D72 IonicContact ND1-OD2 3.81Å; D72-P80 HydrophobicContact CB-CB 4.34Å; D72-P80 WeakPolarHBondContact OD1-CA 3.24Å; D72-C81 WeakPolarHBondContact OD2-CB 3.39Å; D72-C81 PolarHBondContact OD2-N 3.46Å; D72-R86 WeakPolarHBondContact O-CD 3.2Å; D72-R86 PolarHBondContact O-NH1 3.37Å
73I84.9Confident87.7Confident46 Ų4663.9 Ų63.924%0.23634%0.336CS..THydrogen-bonded Turntrans-86-29.1179.3-68.2161.7000111.7F64 A67 L68 G71F64-I73 HydrophobicContact CD2-CD1 3.96Å; F64-I73 HydrophobicContact CE2-CD1 3.46Å; F64-I73 VanDerWaalsContact CE2-CD1 3.46Å; F64-I73 HydrophobicContact CZ-CD1 4.17Å; A67-I73 HydrophobicContact CB-CD1 4.15Å; A67-I73 HydrophobicContact CB-CG1 4.32Å; L68-I73 HydrophobicContact CD2-CD1 3.46Å; L68-I73 VanDerWaalsContact CD2-CD1 3.46Å; L68-I73 HydrophobicContact CG-CD1 3.67Å; G71-I73 PolarHBondContact O-N 2.78Å
74K81.4Confident87.4Confident190 Ų19068.1 Ų68.183%0.82636%0.356SS*.THydrogen-bonded Turntrans-96-36.2-172.7-69.1-179-179.5175.50112.8G71G71-K74 PolarHBondContact O-N 2.88Å
75D80.6Confident87.3Confident84 Ų8465.8 Ų65.845%0.44935%0.346SS..  trans-104.3117.2-177.3-160.3-17.6000110.7G71 N77 N78 R86G71-D75 PolarHBondContact O-N 3.16Å; D75-N77 VanDerWaalsContact C-N 3.33Å; D75-N77 PolarHBondContact OD1-N 2.7Å; D75-N78 HydrophobicContact CB-CB 4.04Å; D75-R86 PolarHBondContact O-NH1 2.79Å
76H74.3Confident86.9Confident140 Ų14065 Ų6565%0.64834%0.335SS*.SBendtrans-79.2-17.8177.2-76.3-63.5000113.1R86H76-R86 PolarHBondContact ND1-NH1 2.79Å
77N74.8Confident86.9Confident151 Ų15166.7 Ų66.781%0.80735%0.348SS*.SBendtrans-97.4-7.5-177.1-67.7-21.2000113.4D75D75-N77 VanDerWaalsContact C-N 3.33Å; D75-N77 PolarHBondContact OD1-N 2.7Å
78N81.1Confident87Confident58 Ų5870.4 Ų70.431%0.3136%0.364SS..SBendtrans-77.1142.5174.7-167.527.1000110.4H70 D75 P80H70-N78 PolarHBondContact CE1-ND2 2.73Å; H70-N78 PolarHBondContact ND1-ND2 3.05Å; D75-N78 HydrophobicContact CB-CB 4.04Å; N78-P80 VanDerWaalsContact O-CD 3.25Å; N78-P80 WeakPolarHBondContact O-CD 3.31Å
79D85.6Confident87.1Confident104 Ų10470.4 Ų70.456%0.55637%0.367SS*.  trans-72.5110.3175.9-62.2-48.1000109.1N112D79-N112 WeakPolarHBondContact CB-ND2 3.45Å; D79-N112 PolarHBondContact O-ND2 3.23Å
80P90.4Very high87.3Confident11 Ų1166.5 Ų66.57%0.07134%0.335CS..  trans-73.6157.3-167.531.1-35.8000112D72 N78 Y83 S110 N112D72-P80 HydrophobicContact CB-CB 4.34Å; D72-P80 WeakPolarHBondContact OD1-CA 3.24Å; N78-P80 VanDerWaalsContact O-CD 3.25Å; N78-P80 WeakPolarHBondContact O-CD 3.31Å; P80-Y83 HydrophobicContact CG-CD1 3.62Å; P80-Y83 HydrophobicContact CG-CE1 3.89Å; P80-Y83 HydrophobicContact CG-CG 4.38Å; P80-S110 WeakPolarHBondContact O-CB 3.26Å; P80-S110 PolarHBondContact O-OG 2.91Å; P80-N112 PolarHBondContact O-ND2 3Å
81C90.3Very high87.6Confident2 Ų262.8 Ų62.81%0.01432%0.318CS..SBendtrans-68.1-38.1169.6-630000111.6I66 D72 S110 C113 A116I66-C81 HydrophobicContact CG2-CB 4.22Å; D72-C81 WeakPolarHBondContact OD2-CB 3.39Å; D72-C81 PolarHBondContact OD2-N 3.46Å; C81-S110 VanDerWaalsContact O-CB 3.31Å; C81-S110 WeakPolarHBondContact O-CB 3.26Å; C81-S110 PolarHBondContact O-N 3.01Å; C81-C113 WeakPolarHBondContact CA-SG 3.24Å; C81-C113 HydrophobicContact CB-CB 3.51Å; C81-C113 WeakPolarHBondContact CB-SG 3.43Å; C81-C113 WeakPolarHBondContact SG-CB 3.39Å; C81-C113 CovalentContact SG-SG 2.02Å; C81-C113 PolarHBondContact SG-SG 3.28Å; C81-A116 HydrophobicContact CB-CB 4.3Å
82V92.1Very high87.9Confident9 Ų964 Ų646%0.05532%0.317CS..BIsolated β-bridgetrans-134.8122.9176.5-169.10000108.9F63 V85 F94 G108 M109F63-V82 HydrophobicContact CD1-CG2 4.49Å; V82-V85 HydrophobicContact CB-CB 4.17Å; V82-V85 HydrophobicContact CB-CG2 3.9Å; V82-V85 HydrophobicContact CG1-CB 4.27Å; V82-V85 HydrophobicContact CG1-CG2 3.46Å; V82-V85 VanDerWaalsContact CG1-CG2 3.46Å; V82-F94 HydrophobicContact CG1-CD1 3.98Å; V82-F94 HydrophobicContact CG1-CD2 3.86Å; V82-F94 HydrophobicContact CG1-CE1 3.8Å; V82-F94 HydrophobicContact CG1-CE2 3.67Å; V82-F94 HydrophobicContact CG1-CG 4.01Å; V82-F94 HydrophobicContact CG1-CZ 3.63Å; V82-F94 HydrophobicContact CG2-CE1 4.17Å; V82-F94 HydrophobicContact CG2-CZ 4.45Å; V82-G108 CarbonylContact C-O 3.56Å; V82-G108 WeakPolarHBondContact CA-O 3.46Å; V82-G108 VanDerWaalsContact CG1-O 3.31Å; V82-G108 WeakPolarHBondContact CG1-O 3.49Å; V82-M109 HydrophobicContact CG2-SD 3.87Å
83Y90.9Very high88.4Confident108 Ų10866.8 Ų66.842%0.42433%0.332SS..THydrogen-bonded Turntrans-63.2138-179.8-64.2-72.2000111.2P80 V85 G108 S110P80-Y83 HydrophobicContact CG-CD1 3.62Å; P80-Y83 HydrophobicContact CG-CE1 3.89Å; P80-Y83 HydrophobicContact CG-CG 4.38Å; Y83-V85 PolarHBondContact O-N 3.33Å; Y83-G108 WeakPolarHBondContact CD2-O 3.42Å; Y83-G108 PolarHBondContact N-O 2.87Å; Y83-S110 PolarHBondContact OH-OG 2.99Å
84E89.9Confident88.9Confident92 Ų9265 Ų6543%0.4332%0.322SS..THydrogen-bonded Turntrans59.323.5175.6-60.4-55.1119.100115.8F106 R107E84-F106 HydrophobicContact CB-CD1 4.2Å; E84-F106 HydrophobicContact CB-CE1 3.76Å; E84-F106 HydrophobicContact CB-CZ 4.35Å; E84-F106 HydrophobicContact CG-CD1 4.49Å; E84-F106 HydrophobicContact CG-CE1 3.91Å; E84-F106 HydrophobicContact CG-CZ 3.99Å; E84-R107 HydrophobicContact CB-CG 4.29Å
85V91.3Very high89.6Confident2 Ų255.9 Ų55.91%0.01228%0.283CS..  trans-101.875.1171.6-179.10000110.5V82 Y83 A91 F94V82-V85 HydrophobicContact CB-CB 4.17Å; V82-V85 HydrophobicContact CB-CG2 3.9Å; V82-V85 HydrophobicContact CG1-CB 4.27Å; V82-V85 HydrophobicContact CG1-CG2 3.46Å; V82-V85 VanDerWaalsContact CG1-CG2 3.46Å; Y83-V85 PolarHBondContact O-N 3.33Å; V85-A91 HydrophobicContact CG1-CB 3.58Å; V85-F94 HydrophobicContact CG2-CB 3.96Å; V85-F94 HydrophobicContact CG2-CG 4.22Å
86R87.3Confident90.3Very high62 Ų6253.6 Ų53.623%0.23427%0.27CS..  trans-101.6-6.1-177.7-56.3-69.1-175.1158.3-1.9114.4D72 D75 H76D72-R86 WeakPolarHBondContact O-CD 3.2Å; D72-R86 PolarHBondContact O-NH1 3.37Å; D75-R86 PolarHBondContact O-NH1 2.79Å; H76-R86 PolarHBondContact ND1-NH1 2.79Å
87S92.2Very high91.3Very high56 Ų5647.1 Ų47.139%0.39224%0.24SC..SBendtrans-140.9162.6-178.967.50000111.5T89 A90 A91S87-T89 VanDerWaalsContact C-N 3.28Å; S87-T89 PolarHBondContact O-N 3.18Å; S87-A90 WeakPolarHBondContact O-CB 3.23Å; S87-A90 PolarHBondContact O-N 3.27Å; S87-A90 VanDerWaalsContact O-N 3.11Å; S87-A90 WeakPolarHBondContact OG-CB 3.46Å; S87-A90 PolarHBondContact OG-N 3.1Å; S87-A91 PolarHBondContact O-N 3.31Å
88F93.4Very high92.3Very high81 Ų8141.7 Ų41.736%0.35521%0.212SC..Hα-helixtrans-57.1-42.8175.2175.6-104.4000112L57 I61 F64 A90 A91 F92L57-F88 HydrophobicContact CD1-CE1 4.49Å; L57-F88 HydrophobicContact CD1-CZ 3.8Å; I61-F88 HydrophobicContact CG1-CE2 3.72Å; I61-F88 HydrophobicContact CG1-CZ 4.29Å; F64-F88 HydrophobicContact CB-CD2 4.3Å; F64-F88 HydrophobicContact CD1-CD2 4.07Å; F64-F88 HydrophobicContact CD2-CB 4.21Å; F64-F88 HydrophobicContact CE1-CB 4.43Å; F64-F88 HydrophobicContact CE2-CB 4.13Å; F64-F88 HydrophobicContact CG-CB 4.41Å; F64-F88 HydrophobicContact CG-CD2 4.1Å; F64-F88 HydrophobicContact CZ-CB 4.24Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-A90 PolarHBondContact O-N 3.33Å; F88-A91 PolarHBondContact O-N 3.08Å; F88-F92 PolarHBondContact O-N 3.3Å
89T94.8Very high92.9Very high90 Ų9039.1 Ų39.155%0.55220%0.198SC*.Hα-helixtrans-62.6-39.3176.7-51.50000111.6S87 F92 L93S87-T89 VanDerWaalsContact C-N 3.28Å; S87-T89 PolarHBondContact O-N 3.18Å; T89-F92 PolarHBondContact O-N 2.93Å; T89-L93 HydrophobicContact CG2-CD1 4.32Å; T89-L93 WeakPolarHBondContact O-CB 3.36Å; T89-L93 VanDerWaalsContact O-CG 3.29Å; T89-L93 WeakPolarHBondContact O-CG 3.35Å; T89-L93 PolarHBondContact O-N 3.32Å
90A93.7Very high93.3Very high7 Ų736.4 Ų36.46%0.05819%0.186CC..Hα-helixtrans-66-37.3175.500000112.3S87 F88 L93 F94S87-A90 WeakPolarHBondContact O-CB 3.23Å; S87-A90 PolarHBondContact O-N 3.27Å; S87-A90 VanDerWaalsContact O-N 3.11Å; S87-A90 WeakPolarHBondContact OG-CB 3.46Å; S87-A90 PolarHBondContact OG-N 3.1Å; F88-A90 VanDerWaalsContact C-N 3.31Å; F88-A90 PolarHBondContact O-N 3.33Å; A90-L93 PolarHBondContact O-N 2.89Å; A90-F94 WeakPolarHBondContact O-CB 3.4Å; A90-F94 PolarHBondContact O-N 2.93Å
91A95.3Very high93.5Very high0 Ų041.3 Ų41.30%022%0.216CC..Hα-helixtrans-68.4-40175.700000112.2G60 F63 F64 V85 S87 F88 F94 S95G60-A91 WeakPolarHBondContact O-CB 2.97Å; F63-A91 HydrophobicContact CB-CB 4.45Å; F64-A91 HydrophobicContact CB-CB 3.8Å; F64-A91 HydrophobicContact CD2-CB 4.43Å; V85-A91 HydrophobicContact CG1-CB 3.58Å; S87-A91 PolarHBondContact O-N 3.31Å; F88-A91 PolarHBondContact O-N 3.08Å; A91-F94 PolarHBondContact O-N 2.9Å; A91-S95 WeakPolarHBondContact O-CB 3.4Å; A91-S95 PolarHBondContact O-N 3.01Å
92F96.1Very high93.7Very high48 Ų4845 Ų4521%0.21124%0.235CC..Hα-helixtrans-62.2-46.2172.4173.8-99000111.8W56 L57 F88 T89 S95 L96W56-F92 HydrophobicContact CB-CD2 4.31Å; W56-F92 HydrophobicContact CB-CE2 3.68Å; W56-F92 HydrophobicContact CB-CZ 4.32Å; W56-F92 HydrophobicContact CE3-CZ 4.3Å; L57-F92 HydrophobicContact CD1-CD2 4.48Å; F88-F92 PolarHBondContact O-N 3.3Å; T89-F92 PolarHBondContact O-N 2.93Å; F92-S95 PolarHBondContact O-N 2.68Å; F92-L96 HydrophobicContact CE1-CD1 4.21Å; F92-L96 HydrophobicContact CZ-CD1 4.34Å; F92-L96 WeakPolarHBondContact O-CB 3.17Å; F92-L96 PolarHBondContact O-N 3.03Å
93L95.6Very high93.6Very high62 Ų6247 Ų4733%0.32526%0.256SS..Hα-helixtrans-62.3-43.1176.7-73.3173000111.5T89 A90 S95 L96 E97T89-L93 HydrophobicContact CG2-CD1 4.32Å; T89-L93 WeakPolarHBondContact O-CB 3.36Å; T89-L93 VanDerWaalsContact O-CG 3.29Å; T89-L93 WeakPolarHBondContact O-CG 3.35Å; T89-L93 PolarHBondContact O-N 3.32Å; A90-L93 PolarHBondContact O-N 2.89Å; L93-S95 PolarHBondContact O-N 3.49Å; L93-L96 PolarHBondContact O-N 2.93Å; L93-E97 VanDerWaalsContact O-CB 3.3Å; L93-E97 WeakPolarHBondContact O-CB 3.38Å; L93-E97 WeakPolarHBondContact O-CG 3.18Å; L93-E97 PolarHBondContact O-N 2.96Å
94F95.4Very high93.5Very high7 Ų749.6 Ų49.63%0.03127%0.266CS..Hα-helixtrans-58.2-48.9173.5178-109.7000111.6F63 V82 V85 A90 A91 L96 E97 T98 R107 M109F63-F94 HydrophobicContact CD1-CD1 4.49Å; F63-F94 HydrophobicContact CD1-CE1 4.16Å; F63-F94 AromaticContact CD2-CD1 3.69Å; F63-F94 HydrophobicContact CD2-CD1 3.69Å; F63-F94 AromaticContact CD2-CE1 3.93Å; F63-F94 HydrophobicContact CD2-CE1 3.93Å; F63-F94 AromaticContact CE1-CE1 3.95Å; F63-F94 HydrophobicContact CE1-CE1 3.95Å; F63-F94 AromaticContact CE2-CD1 3.78Å; F63-F94 HydrophobicContact CE2-CD1 3.78Å; F63-F94 AromaticContact CE2-CE1 3.64Å; F63-F94 HydrophobicContact CE2-CE1 3.64Å; F63-F94 HydrophobicContact CG-CD1 4.06Å; F63-F94 HydrophobicContact CG-CE1 4.17Å; F63-F94 HydrophobicContact CZ-CD1 4.29Å; F63-F94 AromaticContact CZ-CE1 3.69Å; F63-F94 HydrophobicContact CZ-CE1 3.69Å; V82-F94 HydrophobicContact CG1-CD1 3.98Å; V82-F94 HydrophobicContact CG1-CD2 3.86Å; V82-F94 HydrophobicContact CG1-CE1 3.8Å; V82-F94 HydrophobicContact CG1-CE2 3.67Å; V82-F94 HydrophobicContact CG1-CG 4.01Å; V82-F94 HydrophobicContact CG1-CZ 3.63Å; V82-F94 HydrophobicContact CG2-CE1 4.17Å; V82-F94 HydrophobicContact CG2-CZ 4.45Å; V85-F94 HydrophobicContact CG2-CB 3.96Å; V85-F94 HydrophobicContact CG2-CG 4.22Å; A90-F94 WeakPolarHBondContact O-CB 3.4Å; A90-F94 PolarHBondContact O-N 2.93Å; A91-F94 PolarHBondContact O-N 2.9Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 2.83Å; F94-E97 PolarHBondContact O-N 2.84Å; F94-T98 WeakPolarHBondContact O-CB 3.37Å; F94-T98 PolarHBondContact O-N 3.1Å; F94-T98 PolarHBondContact O-OG1 2.91Å; F94-R107 HydrophobicContact CB-CB 4.42Å; F94-R107 HydrophobicContact CD2-CB 3.74Å; F94-M109 HydrophobicContact CE1-CE 4.05Å; F94-M109 HydrophobicContact CZ-CE 3.82Å
95S96.8Very high93.4Very high0 Ų048.4 Ų48.40%028%0.279CS..Hα-helixtrans-58.7-43.8177.6178.70000112.6W56 F59 G60 A91 F92 L93 Q99 Q123W56-S95 PolarHBondContact O-OG 2.85Å; F59-S95 WeakPolarHBondContact CB-OG 2.9Å; G60-S95 PolarHBondContact N-OG 2.9Å; A91-S95 WeakPolarHBondContact O-CB 3.4Å; A91-S95 PolarHBondContact O-N 3.01Å; F92-S95 PolarHBondContact O-N 2.68Å; L93-S95 PolarHBondContact O-N 3.49Å; S95-Q99 VanDerWaalsContact O-CB 3.27Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 PolarHBondContact O-N 3.21Å; S95-Q123 PolarHBondContact O-NE2 3.31Å
96L95.9Very high93.3Very high35 Ų3554.4 Ų54.418%0.18331%0.305CS..Hα-helixtrans-61.9-51.7175-177.1160.9000111.2W56 F92 L93 F94 T98 Q99 T100 I102W56-L96 HydrophobicContact CD2-CB 4.33Å; W56-L96 HydrophobicContact CD2-CD1 4.2Å; W56-L96 HydrophobicContact CD2-CG 4.05Å; W56-L96 HydrophobicContact CE3-CD1 3.8Å; W56-L96 HydrophobicContact CE3-CG 4.17Å; W56-L96 HydrophobicContact CG-CB 4.26Å; W56-L96 HydrophobicContact CG-CG 4.49Å; W56-L96 HydrophobicContact CH2-CD1 4.43Å; W56-L96 HydrophobicContact CZ2-CG 4.47Å; W56-L96 HydrophobicContact CZ3-CD1 3.93Å; W56-L96 HydrophobicContact CZ3-CG 4.43Å; F92-L96 HydrophobicContact CE1-CD1 4.21Å; F92-L96 HydrophobicContact CZ-CD1 4.34Å; F92-L96 WeakPolarHBondContact O-CB 3.17Å; F92-L96 PolarHBondContact O-N 3.03Å; L93-L96 PolarHBondContact O-N 2.93Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 2.83Å; L96-T98 VanDerWaalsContact C-N 3.26Å; L96-T98 PolarHBondContact O-N 2.81Å; L96-Q99 PolarHBondContact O-N 3.35Å; L96-T100 HydrophobicContact CD2-CG2 4.47Å; L96-T100 WeakPolarHBondContact O-CB 3.39Å; L96-T100 PolarHBondContact O-N 3.29Å; L96-T100 PolarHBondContact O-OG1 3.13Å; L96-I102 HydrophobicContact CD2-CD1 4.19Å
97E95.2Very high93.5Very high5 Ų554 Ų542%0.02330%0.303CS..Hα-helixtrans-57.2-39.6-179.2-74.4170.6-143.700111.7L93 F94 T101 I102 G103 Y104 R107L93-E97 VanDerWaalsContact O-CB 3.3Å; L93-E97 WeakPolarHBondContact O-CB 3.38Å; L93-E97 WeakPolarHBondContact O-CG 3.18Å; L93-E97 PolarHBondContact O-N 2.96Å; F94-E97 PolarHBondContact O-N 2.84Å; E97-T101 PolarHBondContact O-N 2.92Å; E97-I102 PolarHBondContact O-N 3.29Å; E97-G103 PolarHBondContact O-N 3.01Å; E97-Y104 VanDerWaalsContact CD-CD2 3.46Å; E97-Y104 HydrophobicContact CG-CD2 3.6Å; E97-Y104 HydrophobicContact CG-CE2 3.89Å; E97-R107 IonicContact OE1-NH1 3.68Å; E97-R107 PolarHBondContact OE1-NH1 2.84Å
98T94.3Very high93.3Very high37 Ų3752.4 Ų52.423%0.22730%0.296CS..Hα-helixtrans-76.2-46.8178.3-54.10000112.3F94 L96 T100 T101 V120F94-T98 WeakPolarHBondContact O-CB 3.37Å; F94-T98 PolarHBondContact O-N 3.1Å; F94-T98 PolarHBondContact O-OG1 2.91Å; L96-T98 VanDerWaalsContact C-N 3.26Å; L96-T98 PolarHBondContact O-N 2.81Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 2.84Å; T98-T101 PolarHBondContact O-N 3.25Å; T98-T101 VanDerWaalsContact O-N 3.17Å; T98-V120 HydrophobicContact CG2-CG2 3.46Å; T98-V120 VanDerWaalsContact CG2-CG2 3.46Å
99Q95.1Very high93.2Very high3 Ų351.4 Ų51.41%0.01429%0.293CS..Hα-helixtrans-65.5-38.8-177.6-165.9177.3-37.500112S55 W56 S95 L96 T101 Q123 S127S55-Q99 VanDerWaalsContact OG-CD 3.28Å; S55-Q99 PolarHBondContact OG-NE2 2.94Å; S55-Q99 PolarHBondContact OG-OE1 3.12Å; W56-Q99 VanDerWaalsContact CD1-CD 3.49Å; S95-Q99 VanDerWaalsContact O-CB 3.27Å; S95-Q99 WeakPolarHBondContact O-CB 3.35Å; S95-Q99 PolarHBondContact O-N 3.21Å; L96-Q99 PolarHBondContact O-N 3.35Å; Q99-T101 VanDerWaalsContact C-N 3.28Å; Q99-Q123 HydrophobicContact CB-CG 4.49Å; Q99-S127 WeakPolarHBondContact CG-OG 3.42Å; Q99-S127 PolarHBondContact O-OG 2.93Å
100T93.5Very high93Very high48 Ų4847.5 Ų47.529%0.29427%0.27SS..THydrogen-bonded Turntrans-84.9-1.517859.40000113.2W56 L96 T98 I102W56-T100 HydrophobicContact CZ2-CG2 3.58Å; L96-T100 HydrophobicContact CD2-CG2 4.47Å; L96-T100 WeakPolarHBondContact O-CB 3.39Å; L96-T100 PolarHBondContact O-N 3.29Å; L96-T100 PolarHBondContact O-OG1 3.13Å; T98-T100 VanDerWaalsContact C-N 3.34Å; T98-T100 PolarHBondContact O-N 2.84Å; T100-I102 PolarHBondContact O-N 2.72Å; T100-I102 VanDerWaalsContact OG1-CD1 3.26Å; T100-I102 WeakPolarHBondContact OG1-CD1 3.33Å; T100-I102 VanDerWaalsContact OG1-CG1 3.31Å; T100-I102 WeakPolarHBondContact OG1-CG1 3.27Å
101T93.9Very high92.9Very high113 Ų11355.7 Ų55.769%0.69331%0.307SS*.THydrogen-bonded Turntrans56.624.8-177.769.30000114.6E97 T98 Q99E97-T101 PolarHBondContact O-N 2.92Å; T98-T101 PolarHBondContact O-N 3.25Å; T98-T101 VanDerWaalsContact O-N 3.17Å; Q99-T101 VanDerWaalsContact C-N 3.28Å
102I95.5Very high92.5Very high81 Ų8159.6 Ų59.642%0.41533%0.328SS..  trans-69.6-46.7174.6-64.4168.7000110L96 E97 T100 Y104L96-I102 HydrophobicContact CD2-CD1 4.19Å; E97-I102 PolarHBondContact O-N 3.29Å; T100-I102 PolarHBondContact O-N 2.72Å; T100-I102 VanDerWaalsContact OG1-CD1 3.26Å; T100-I102 WeakPolarHBondContact OG1-CD1 3.33Å; T100-I102 VanDerWaalsContact OG1-CG1 3.31Å; T100-I102 WeakPolarHBondContact OG1-CG1 3.27Å; I102-Y104 HydrophobicContact CG2-CD1 3.71Å; I102-Y104 HydrophobicContact CG2-CD2 4.25Å; I102-Y104 HydrophobicContact CG2-CE1 3.34Å; I102-Y104 HydrophobicContact CG2-CE2 3.91Å; I102-Y104 HydrophobicContact CG2-CG 4.14Å; I102-Y104 VanDerWaalsContact CG2-CZ 3.44Å; I102-Y104 PolarHBondContact O-N 2.97Å
103G88.6Confident92.2Very high49 Ų4957.8 Ų57.851%0.50532%0.321SS..  trans47.165.9174.100000114.5E97 G105E97-G103 PolarHBondContact O-N 3.01Å; G103-G105 PolarHBondContact O-N 3.3Å
104Y90.1Very high92.1Very high163 Ų16361.4 Ų61.464%0.63934%0.338SS*.  trans-58.1-15.5-178.6-64.6-59.5000114.2E97 I102 F106E97-Y104 VanDerWaalsContact CD-CD2 3.46Å; E97-Y104 HydrophobicContact CG-CD2 3.6Å; E97-Y104 HydrophobicContact CG-CE2 3.89Å; I102-Y104 HydrophobicContact CG2-CD1 3.71Å; I102-Y104 HydrophobicContact CG2-CD2 4.25Å; I102-Y104 HydrophobicContact CG2-CE1 3.34Å; I102-Y104 HydrophobicContact CG2-CE2 3.91Å; I102-Y104 HydrophobicContact CG2-CG 4.14Å; I102-Y104 VanDerWaalsContact CG2-CZ 3.44Å; I102-Y104 PolarHBondContact O-N 2.97Å; Y104-F106 VanDerWaalsContact C-N 3.27Å; Y104-F106 PolarHBondContact O-N 3.06Å
105G86.7Confident92Very high67 Ų6766.6 Ų66.669%0.69137%0.365SS*.SBendtrans84.1-6.2175.600000114.6G103G103-G105 PolarHBondContact O-N 3.3Å
106F89.4Confident91.8Very high129 Ų12966.6 Ų66.657%0.56637%0.365SS*.SBendtrans-75.1-34.7173.9-174.9-99.2000112.4E84 Y104E84-F106 HydrophobicContact CB-CD1 4.2Å; E84-F106 HydrophobicContact CB-CE1 3.76Å; E84-F106 HydrophobicContact CB-CZ 4.35Å; E84-F106 HydrophobicContact CG-CD1 4.49Å; E84-F106 HydrophobicContact CG-CE1 3.91Å; E84-F106 HydrophobicContact CG-CZ 3.99Å; Y104-F106 VanDerWaalsContact C-N 3.27Å; Y104-F106 PolarHBondContact O-N 3.06Å
107R91.5Very high91.7Very high52 Ų5268.3 Ų68.320%0.19637%0.373CS..SBendtrans-108.3127.1173.5-62.4175.4-177.882.212.6108.1E84 F94 E97E84-R107 HydrophobicContact CB-CG 4.29Å; F94-R107 HydrophobicContact CB-CB 4.42Å; F94-R107 HydrophobicContact CD2-CB 3.74Å; E97-R107 IonicContact OE1-NH1 3.68Å; E97-R107 PolarHBondContact OE1-NH1 2.84Å
108G89.1Confident91.8Very high24 Ų2472.1 Ų72.125%0.24739%0.393CS..  trans-140.1149.2-171.800000112.6V82 Y83V82-G108 CarbonylContact C-O 3.56Å; V82-G108 WeakPolarHBondContact CA-O 3.46Å; V82-G108 VanDerWaalsContact CG1-O 3.31Å; V82-G108 WeakPolarHBondContact CG1-O 3.49Å; Y83-G108 WeakPolarHBondContact CD2-O 3.42Å; Y83-G108 PolarHBondContact N-O 2.87Å
109M91.4Very high91.8Very high59 Ų5971.6 Ų71.629%0.29139%0.389SS..BIsolated β-bridgetrans-73.6141.3174.7-166.362.778.100110.4F63 V82 F94 A116 I117 V120F63-M109 HydrophobicContact CE1-CE 4.01Å; F63-M109 HydrophobicContact CZ-CE 4.34Å; V82-M109 HydrophobicContact CG2-SD 3.87Å; F94-M109 HydrophobicContact CE1-CE 4.05Å; F94-M109 HydrophobicContact CZ-CE 3.82Å; M109-A116 HydrophobicContact CE-CB 4.32Å; M109-A116 HydrophobicContact SD-CB 3.66Å; M109-I117 HydrophobicContact CG-CG1 4.39Å; M109-V120 HydrophobicContact CE-CB 3.43Å; M109-V120 VanDerWaalsContact CE-CB 3.43Å; M109-V120 HydrophobicContact CE-CG1 3.49Å; M109-V120 VanDerWaalsContact CE-CG1 3.49Å; M109-V120 HydrophobicContact CE-CG2 3.9Å
110S90.6Very high91.9Very high8 Ų872.8 Ų72.86%0.05640%0.396CS..  trans-103.7160.4171.4-172.30000111.7P80 C81 Y83 N112P80-S110 WeakPolarHBondContact O-CB 3.26Å; P80-S110 PolarHBondContact O-OG 2.91Å; C81-S110 VanDerWaalsContact O-CB 3.31Å; C81-S110 WeakPolarHBondContact O-CB 3.26Å; C81-S110 PolarHBondContact O-N 3.01Å; Y83-S110 PolarHBondContact OH-OG 2.99Å; S110-N112 VanDerWaalsContact C-N 3.31Å; S110-N112 PolarHBondContact OG-ND2 2.97Å
111E90.3Very high92Very high179 Ų17974.3 Ų74.384%0.83641%0.405SS*.SBendtrans-81-11177.3-63.1179.5-169.300113.1C113E111-C113 VanDerWaalsContact C-N 3.28Å; E111-C113 PolarHBondContact O-N 2.9Å
112N87.8Confident92.1Very high82 Ų8272.6 Ų72.644%0.43939%0.391SS..SBendtrans-67.7-26.7-171.7-57.5-32.8000113.7D79 P80 S110D79-N112 WeakPolarHBondContact CB-ND2 3.45Å; D79-N112 PolarHBondContact O-ND2 3.23Å; P80-N112 PolarHBondContact O-ND2 3Å; S110-N112 VanDerWaalsContact C-N 3.31Å; S110-N112 PolarHBondContact OG-ND2 2.97Å
113C90Very high92.1Very high11 Ų1168.7 Ų68.77%0.07437%0.371CS..  trans-123.897.1-170.3-57.90000111.7C81 E111 I115 A116 I117C81-C113 WeakPolarHBondContact CA-SG 3.24Å; C81-C113 HydrophobicContact CB-CB 3.51Å; C81-C113 WeakPolarHBondContact CB-SG 3.43Å; C81-C113 WeakPolarHBondContact SG-CB 3.39Å; C81-C113 CovalentContact SG-SG 2.02Å; C81-C113 PolarHBondContact SG-SG 3.28Å; E111-C113 VanDerWaalsContact C-N 3.28Å; E111-C113 PolarHBondContact O-N 2.9Å; C113-I115 PolarHBondContact O-N 3.22Å; C113-A116 HydrophobicContact CB-CB 4.06Å; C113-A116 WeakPolarHBondContact O-CB 3.43Å; C113-A116 PolarHBondContact O-N 3.45Å; C113-I117 PolarHBondContact O-N 3.15Å
114M92.4Very high92.5Very high138 Ų13870.2 Ų70.268%0.6837%0.368SS*.Hα-helixtrans-56.6-33.6176.3-174.6175.26200112.9A116 I117 I118M114-A116 VanDerWaalsContact C-N 3.34Å; M114-A116 PolarHBondContact O-N 3.45Å; M114-I117 PolarHBondContact O-N 2.83Å; M114-I118 HydrophobicContact CG-CD1 4.12Å; M114-I118 WeakPolarHBondContact O-CG1 3.4Å; M114-I118 PolarHBondContact O-N 3.44Å
115I93.4Very high92.8Very high116 Ų11665.8 Ų65.860%0.59536%0.358SS*.Hα-helixtrans-61.7-42.7177.4-61.1172.3000110.7I66 C113 I117 I118 I119I66-I115 HydrophobicContact CD1-CG2 4.19Å; I66-I115 HydrophobicContact CG1-CG2 4.42Å; C113-I115 PolarHBondContact O-N 3.22Å; I115-I117 VanDerWaalsContact C-N 3.33Å; I115-I117 PolarHBondContact O-N 2.82Å; I115-I118 PolarHBondContact O-N 3.12Å; I115-I119 WeakPolarHBondContact O-CG1 3.22Å; I115-I119 PolarHBondContact O-N 3.44Å
116A93Very high93.2Very high0 Ų065.8 Ų65.80%034%0.341CS..Hα-helixtrans-65.2-38.2179.200000111.7I66 C81 M109 C113 M114 I119 V120I66-A116 HydrophobicContact CG2-CB 4.44Å; C81-A116 HydrophobicContact CB-CB 4.3Å; M109-A116 HydrophobicContact CE-CB 4.32Å; M109-A116 HydrophobicContact SD-CB 3.66Å; C113-A116 HydrophobicContact CB-CB 4.06Å; C113-A116 WeakPolarHBondContact O-CB 3.43Å; C113-A116 PolarHBondContact O-N 3.45Å; M114-A116 VanDerWaalsContact C-N 3.34Å; M114-A116 PolarHBondContact O-N 3.45Å; A116-I119 PolarHBondContact O-N 3.49Å; A116-V120 PolarHBondContact O-N 2.59Å
117I94.9Very high93.4Very high70 Ų7059.9 Ų59.936%0.35932%0.316SS..Hα-helixtrans-63.2-44175.5-60.6172.1000111.2M109 C113 M114 I115 V120 T121M109-I117 HydrophobicContact CG-CG1 4.39Å; C113-I117 PolarHBondContact O-N 3.15Å; M114-I117 PolarHBondContact O-N 2.83Å; I115-I117 VanDerWaalsContact C-N 3.33Å; I115-I117 PolarHBondContact O-N 2.82Å; I117-V120 VanDerWaalsContact O-CG1 3.23Å; I117-V120 WeakPolarHBondContact O-CG1 3.17Å; I117-T121 WeakPolarHBondContact O-CB 3.24Å; I117-T121 PolarHBondContact O-N 2.88Å; I117-T121 VanDerWaalsContact O-N 3.08Å; I117-T121 PolarHBondContact O-OG1 3Å
118I95.7Very high93.6Very high85 Ų8560.5 Ų60.544%0.43633%0.327SS..Hα-helixtrans-64.1-44.4177.5-67.5167.2000110.5M114 I115 T121 I122M114-I118 HydrophobicContact CG-CD1 4.12Å; M114-I118 WeakPolarHBondContact O-CG1 3.4Å; M114-I118 PolarHBondContact O-N 3.44Å; I115-I118 PolarHBondContact O-N 3.12Å; I118-T121 PolarHBondContact O-N 3.48Å; I118-I122 HydrophobicContact CG2-CD1 3.86Å; I118-I122 WeakPolarHBondContact O-CG1 3.45Å; I118-I122 PolarHBondContact O-N 2.78Å
119I95.8Very high93.9Very high27 Ų2765.3 Ų65.314%0.13834%0.342CS..Hα-helixtrans-63.6-43.6179.9-69.5-45000112.1F59 L62 F63 I66 I115 A116 T121 I122 Q123F59-I119 HydrophobicContact CD1-CG2 4.18Å; L62-I119 HydrophobicContact CD2-CB 4.34Å; L62-I119 HydrophobicContact CD2-CD1 3.64Å; L62-I119 HydrophobicContact CD2-CG1 3.86Å; L62-I119 HydrophobicContact CD2-CG2 3.51Å; L62-I119 HydrophobicContact CG-CD1 4.45Å; L62-I119 HydrophobicContact CG-CG1 4.24Å; L62-I119 HydrophobicContact CG-CG2 3.96Å; F63-I119 HydrophobicContact CD1-CG2 4.42Å; F63-I119 HydrophobicContact CE1-CB 4.31Å; F63-I119 HydrophobicContact CE1-CG2 3.8Å; F63-I119 HydrophobicContact CZ-CG2 3.92Å; I66-I119 HydrophobicContact CD1-CB 4.38Å; I66-I119 HydrophobicContact CD1-CG1 3.99Å; I115-I119 WeakPolarHBondContact O-CG1 3.22Å; I115-I119 PolarHBondContact O-N 3.44Å; A116-I119 PolarHBondContact O-N 3.49Å; I119-T121 VanDerWaalsContact C-N 3.29Å; I119-T121 PolarHBondContact O-N 2.87Å; I119-I122 PolarHBondContact O-N 3Å; I119-Q123 WeakPolarHBondContact O-CB 3.48Å; I119-Q123 PolarHBondContact O-N 2.87Å
120V95.5Very high94Very high28 Ų2864 Ų6417%0.1734%0.336CS..Hα-helixtrans-66.2-34.4178.174.80000112.2F63 T98 M109 A116 I117 Q123 D124F63-V120 HydrophobicContact CZ-CB 4.03Å; F63-V120 HydrophobicContact CZ-CG2 4.33Å; T98-V120 HydrophobicContact CG2-CG2 3.46Å; T98-V120 VanDerWaalsContact CG2-CG2 3.46Å; M109-V120 HydrophobicContact CE-CB 3.43Å; M109-V120 VanDerWaalsContact CE-CB 3.43Å; M109-V120 HydrophobicContact CE-CG1 3.49Å; M109-V120 VanDerWaalsContact CE-CG1 3.49Å; M109-V120 HydrophobicContact CE-CG2 3.9Å; A116-V120 PolarHBondContact O-N 2.59Å; I117-V120 VanDerWaalsContact O-CG1 3.23Å; I117-V120 WeakPolarHBondContact O-CG1 3.17Å; V120-Q123 WeakPolarHBondContact O-CB 3.47Å; V120-Q123 PolarHBondContact O-N 3.04Å; V120-D124 PolarHBondContact O-N 2.92Å
121T95.7Very high94.2Very high79 Ų7966.3 Ų66.349%0.48535%0.347SS..Hα-helixtrans-65.6-43.6175.3-53.90000110.9I117 I118 I119 Q123 D124 V125I117-T121 WeakPolarHBondContact O-CB 3.24Å; I117-T121 PolarHBondContact O-N 2.88Å; I117-T121 VanDerWaalsContact O-N 3.08Å; I117-T121 PolarHBondContact O-OG1 3Å; I118-T121 PolarHBondContact O-N 3.48Å; I119-T121 VanDerWaalsContact C-N 3.29Å; I119-T121 PolarHBondContact O-N 2.87Å; T121-Q123 VanDerWaalsContact C-N 3.32Å; T121-Q123 PolarHBondContact O-N 2.81Å; T121-D124 PolarHBondContact O-N 2.8Å; T121-V125 WeakPolarHBondContact O-CG2 3.3Å; T121-V125 PolarHBondContact O-N 3.44Å
122I96.6Very high94.3Very high77 Ų7762.4 Ų62.440%0.39534%0.336SS..Hα-helixtrans-63.5-40.3175.1-69.6169.2000110.9I118 I119 V125 I126I118-I122 HydrophobicContact CG2-CD1 3.86Å; I118-I122 WeakPolarHBondContact O-CG1 3.45Å; I118-I122 PolarHBondContact O-N 2.78Å; I119-I122 PolarHBondContact O-N 3Å; I122-V125 PolarHBondContact O-N 3.14Å; I122-I126 HydrophobicContact CG2-CD1 3.76Å; I122-I126 HydrophobicContact CG2-CG1 4.48Å; I122-I126 WeakPolarHBondContact O-CB 3.39Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 2.88Å
123Q96.6Very high94.5Very high0 Ų064.9 Ų64.90%034%0.343CS..Hα-helixtrans-60-45.3176.4178.5179.5-35.300112.1F59 S95 Q99 I119 V120 T121 I126 S127F59-Q123 HydrophobicContact CB-CG 4.39Å; F59-Q123 HydrophobicContact CD1-CB 3.73Å; F59-Q123 HydrophobicContact CD1-CG 4.03Å; F59-Q123 HydrophobicContact CD2-CB 4.23Å; F59-Q123 HydrophobicContact CD2-CG 3.75Å; F59-Q123 HydrophobicContact CE1-CB 3.61Å; F59-Q123 HydrophobicContact CE1-CG 4.22Å; F59-Q123 HydrophobicContact CE2-CB 4.13Å; F59-Q123 HydrophobicContact CE2-CG 3.96Å; F59-Q123 HydrophobicContact CG-CB 4.05Å; F59-Q123 HydrophobicContact CG-CG 3.8Å; F59-Q123 HydrophobicContact CZ-CB 3.83Å; F59-Q123 HydrophobicContact CZ-CG 4.19Å; S95-Q123 PolarHBondContact O-NE2 3.31Å; Q99-Q123 HydrophobicContact CB-CG 4.49Å; I119-Q123 WeakPolarHBondContact O-CB 3.48Å; I119-Q123 PolarHBondContact O-N 2.87Å; V120-Q123 WeakPolarHBondContact O-CB 3.47Å; V120-Q123 PolarHBondContact O-N 3.04Å; T121-Q123 VanDerWaalsContact C-N 3.32Å; T121-Q123 PolarHBondContact O-N 2.81Å; Q123-I126 PolarHBondContact O-N 2.89Å; Q123-S127 WeakPolarHBondContact O-CB 3.48Å; Q123-S127 PolarHBondContact O-N 3.41Å
124D95.4Very high94.6Very high80 Ų8065.4 Ų65.443%0.42835%0.345SS..Hα-helixtrans-61.8-45.8179.8-174.147.9000111.7V120 T121 I126 S127 C128V120-D124 PolarHBondContact O-N 2.92Å; T121-D124 PolarHBondContact O-N 2.8Å; D124-I126 PolarHBondContact O-N 2.66Å; D124-S127 VanDerWaalsContact O-CB 3.31Å; D124-S127 WeakPolarHBondContact O-CB 3.47Å; D124-S127 PolarHBondContact O-N 3.11Å; D124-C128 PolarHBondContact O-N 3.46Å; D124-C128 PolarHBondContact O-SG 3.41Å; D124-C128 VanDerWaalsContact O-SG 3.33Å
125V96.5Very high94.6Very high71 Ų7164 Ų6443%0.4334%0.34SS..Hα-helixtrans-60.6-46175.91730000111.3T121 I122 S127 C128 F129T121-V125 WeakPolarHBondContact O-CG2 3.3Å; T121-V125 PolarHBondContact O-N 3.44Å; I122-V125 PolarHBondContact O-N 3.14Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 3.12Å; V125-C128 PolarHBondContact O-N 3.37Å; V125-F129 HydrophobicContact CG1-CD2 3.95Å; V125-F129 HydrophobicContact CG1-CE2 3.59Å; V125-F129 WeakPolarHBondContact O-CD2 3.32Å; V125-F129 PolarHBondContact O-N 3.44Å
126I95.1Very high94.6Very high67 Ų6760.2 Ų60.234%0.34433%0.329SS..Hα-helixtrans-65.3-36.9178.4-72.9173.4000111.3F59 I122 Q123 D124 F129 I130F59-I126 HydrophobicContact CE2-CG2 4.28Å; F59-I126 HydrophobicContact CZ-CB 4.43Å; F59-I126 HydrophobicContact CZ-CD1 3.95Å; I122-I126 HydrophobicContact CG2-CD1 3.76Å; I122-I126 HydrophobicContact CG2-CG1 4.48Å; I122-I126 WeakPolarHBondContact O-CB 3.39Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 2.88Å; Q123-I126 PolarHBondContact O-N 2.89Å; D124-I126 PolarHBondContact O-N 2.66Å; I126-F129 PolarHBondContact O-N 3.08Å; I126-I130 HydrophobicContact CG2-CD1 3.88Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 WeakPolarHBondContact O-CG1 3.27Å; I126-I130 PolarHBondContact O-N 3.18Å
127S95.1Very high94.5Very high4 Ų460.6 Ų60.63%0.02833%0.331CS..Hα-helixtrans-57.3-50.7174.5-160.80000111.4Q99 Q123 D124 V125 F129 I130 D131Q99-S127 WeakPolarHBondContact CG-OG 3.42Å; Q99-S127 PolarHBondContact O-OG 2.93Å; Q123-S127 WeakPolarHBondContact O-CB 3.48Å; Q123-S127 PolarHBondContact O-N 3.41Å; D124-S127 VanDerWaalsContact O-CB 3.31Å; D124-S127 WeakPolarHBondContact O-CB 3.47Å; D124-S127 PolarHBondContact O-N 3.11Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 3.12Å; S127-F129 VanDerWaalsContact C-N 3.25Å; S127-F129 PolarHBondContact O-N 3.02Å; S127-I130 PolarHBondContact O-N 2.87Å; S127-I130 VanDerWaalsContact O-N 3.09Å; S127-D131 PolarHBondContact O-N 3.08Å
128C95.4Very high94.3Very high66 Ų6658.9 Ų58.945%0.44632%0.324SS..Hα-helixtrans-57.3-39.2178.7-67.70000112.2D124 V125 T132D124-C128 PolarHBondContact O-N 3.46Å; D124-C128 PolarHBondContact O-SG 3.41Å; D124-C128 VanDerWaalsContact O-SG 3.33Å; V125-C128 PolarHBondContact O-N 3.37Å; C128-T132 WeakPolarHBondContact O-CB 3.34Å; C128-T132 PolarHBondContact O-N 3.39Å; C128-T132 PolarHBondContact O-OG1 2.71Å
129F94.9Very high94Very high124 Ų12459 Ų5954%0.54433%0.329SS..Hα-helixtrans-65.4-48.9175.1-78.8-66.7000111.9V125 I126 S127 D131 T132 F133V125-F129 HydrophobicContact CG1-CD2 3.95Å; V125-F129 HydrophobicContact CG1-CE2 3.59Å; V125-F129 WeakPolarHBondContact O-CD2 3.32Å; V125-F129 PolarHBondContact O-N 3.44Å; I126-F129 PolarHBondContact O-N 3.08Å; S127-F129 VanDerWaalsContact C-N 3.25Å; S127-F129 PolarHBondContact O-N 3.02Å; F129-D131 VanDerWaalsContact C-N 3.33Å; F129-D131 PolarHBondContact O-N 2.91Å; F129-T132 PolarHBondContact O-N 3.21Å; F129-F133 VanDerWaalsContact O-CD2 3.23Å; F129-F133 WeakPolarHBondContact O-CD2 3.43Å; F129-F133 PolarHBondContact O-N 3.01Å
130I93.6Very high93.6Very high33 Ų3358.9 Ų58.917%0.16933%0.332CS..Hα-helixtrans-57.3-48.1179.3-66.7168.5000110.3Y52 I126 S127 T132 F133 V134Y52-I130 HydrophobicContact CD1-CG2 4.22Å; Y52-I130 HydrophobicContact CE1-CG2 3.78Å; I126-I130 HydrophobicContact CG2-CD1 3.88Å; I126-I130 HydrophobicContact CG2-CG1 4.39Å; I126-I130 WeakPolarHBondContact O-CG1 3.27Å; I126-I130 PolarHBondContact O-N 3.18Å; S127-I130 PolarHBondContact O-N 2.87Å; S127-I130 VanDerWaalsContact O-N 3.09Å; I130-T132 PolarHBondContact O-N 3.05Å; I130-F133 PolarHBondContact O-N 2.58Å; I130-V134 HydrophobicContact CG2-CG2 4.34Å; I130-V134 WeakPolarHBondContact O-CG2 3.48Å; I130-V134 PolarHBondContact O-N 3.05Å
131D93.8Very high93.2Very high56 Ų5658.1 Ų58.130%0.29933%0.326SS..Hα-helixtrans-60.6-44.8179.4-71.9-16.2000112Y52 S127 F129 F133 V134 I135Y52-D131 WeakPolarHBondContact CE1-OD1 3.29Å; Y52-D131 VanDerWaalsContact CZ-OD1 3.29Å; Y52-D131 PolarHBondContact OH-OD1 3.04Å; S127-D131 PolarHBondContact O-N 3.08Å; F129-D131 VanDerWaalsContact C-N 3.33Å; F129-D131 PolarHBondContact O-N 2.91Å; D131-F133 VanDerWaalsContact C-N 3.35Å; D131-F133 PolarHBondContact O-N 3.34Å; D131-V134 PolarHBondContact O-N 3.21Å; D131-I135 WeakPolarHBondContact O-CB 3.13Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.38Å; D131-I135 PolarHBondContact O-N 2.76Å
132T93.8Very high92.6Very high96 Ų9660.1 Ų60.159%0.58933%0.331SS*.Hα-helixtrans-61.3-43.3177.5-59.20000111.5C128 F129 I130 G136C128-T132 WeakPolarHBondContact O-CB 3.34Å; C128-T132 PolarHBondContact O-N 3.39Å; C128-T132 PolarHBondContact O-OG1 2.71Å; F129-T132 PolarHBondContact O-N 3.21Å; I130-T132 PolarHBondContact O-N 3.05Å; T132-G136 PolarHBondContact O-N 3.07Å
133F91.3Very high91.7Very high134 Ų13459.3 Ų59.359%0.58834%0.336SS*.Hα-helixtrans-64.7-45.6176.9-88.9-74.3000112F129 I130 D131 G136 I137F129-F133 VanDerWaalsContact O-CD2 3.23Å; F129-F133 WeakPolarHBondContact O-CD2 3.43Å; F129-F133 PolarHBondContact O-N 3.01Å; I130-F133 PolarHBondContact O-N 2.58Å; D131-F133 VanDerWaalsContact C-N 3.35Å; D131-F133 PolarHBondContact O-N 3.34Å; F133-G136 PolarHBondContact O-N 2.86Å; F133-I137 WeakPolarHBondContact O-CB 3.24Å; F133-I137 WeakPolarHBondContact O-CD1 3.43Å; F133-I137 VanDerWaalsContact O-CG1 3.23Å; F133-I137 WeakPolarHBondContact O-CG1 3.05Å; F133-I137 PolarHBondContact O-N 2.74Å
134V92.3Very high90.4Very high22 Ų2261.5 Ų61.513%0.13335%0.351CS..Hα-helixtrans-61.2-51.8179.2170.30000110.3F48 Y52 I130 D131 G136 I137 V138F48-V134 HydrophobicContact CB-CG2 4.32Å; F48-V134 HydrophobicContact CD1-CG2 3.9Å; F48-V134 HydrophobicContact CD2-CG1 3.82Å; F48-V134 HydrophobicContact CD2-CG2 4.37Å; F48-V134 HydrophobicContact CE1-CG2 4.26Å; F48-V134 HydrophobicContact CE2-CG1 4.1Å; F48-V134 HydrophobicContact CG-CG1 4.19Å; F48-V134 HydrophobicContact CG-CG2 3.96Å; Y52-V134 HydrophobicContact CE2-CG2 4.09Å; I130-V134 HydrophobicContact CG2-CG2 4.34Å; I130-V134 WeakPolarHBondContact O-CG2 3.48Å; I130-V134 PolarHBondContact O-N 3.05Å; D131-V134 PolarHBondContact O-N 3.21Å; V134-G136 VanDerWaalsContact C-N 3.35Å; V134-G136 PolarHBondContact O-N 3.09Å; V134-I137 PolarHBondContact O-N 3.18Å; V134-V138 HydrophobicContact CG1-CG2 4.4Å; V134-V138 WeakPolarHBondContact O-CB 3.34Å; V134-V138 WeakPolarHBondContact O-CG2 3.25Å; V134-V138 PolarHBondContact O-N 2.8Å
135I92.9Very high88.5Confident110 Ų11060 Ų6056%0.56435%0.35SS*.Hα-helixtrans-60.9-45.8178.9-67.1164.6000110.3D131 I137 V138 V139D131-I135 WeakPolarHBondContact O-CB 3.13Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.38Å; D131-I135 PolarHBondContact O-N 2.76Å; I135-I137 PolarHBondContact O-N 3.07Å; I135-V138 PolarHBondContact O-N 3.13Å; I135-V139 HydrophobicContact CG2-CG2 4.31Å; I135-V139 WeakPolarHBondContact O-CB 3.47Å; I135-V139 WeakPolarHBondContact O-CG2 3.49Å; I135-V139 PolarHBondContact O-N 3Å
136G92.5Very high86.6Confident36 Ų3662.1 Ų62.137%0.37135%0.35SS..Hα-helixtrans-58.4-46.4179.100000112.8T132 F133 V134 A140T132-G136 PolarHBondContact O-N 3.07Å; F133-G136 PolarHBondContact O-N 2.86Å; V134-G136 VanDerWaalsContact C-N 3.35Å; V134-G136 PolarHBondContact O-N 3.09Å; G136-A140 VanDerWaalsContact O-CB 3.27Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 3.2Å
137I91.3Very high84.5Confident7 Ų764.6 Ų64.64%0.03636%0.359CS..Hα-helixtrans-68.9-41.3178.3-65.4161.7000111F33 L36 V37 M44 F48 F133 V134 I135 V139 A140 K141F33-I137 HydrophobicContact CD2-CG1 4.36Å; F33-I137 HydrophobicContact CE2-CG1 4.16Å; L36-I137 HydrophobicContact CB-CD1 4.31Å; L36-I137 HydrophobicContact CB-CG2 4.17Å; L36-I137 HydrophobicContact CD1-CD1 3.72Å; V37-I137 HydrophobicContact CG2-CG2 4.21Å; M44-I137 HydrophobicContact SD-CG2 4.37Å; F48-I137 HydrophobicContact CE1-CD1 4.04Å; F48-I137 HydrophobicContact CE2-CG2 4.46Å; F48-I137 HydrophobicContact CZ-CB 3.85Å; F48-I137 HydrophobicContact CZ-CD1 3.98Å; F48-I137 HydrophobicContact CZ-CG2 3.71Å; F133-I137 WeakPolarHBondContact O-CB 3.24Å; F133-I137 WeakPolarHBondContact O-CD1 3.43Å; F133-I137 VanDerWaalsContact O-CG1 3.23Å; F133-I137 WeakPolarHBondContact O-CG1 3.05Å; F133-I137 PolarHBondContact O-N 2.74Å; V134-I137 PolarHBondContact O-N 3.18Å; I135-I137 PolarHBondContact O-N 3.07Å; I137-V139 PolarHBondContact O-N 3.48Å; I137-A140 PolarHBondContact O-N 3.46Å; I137-K141 WeakPolarHBondContact O-CB 3.24Å; I137-K141 PolarHBondContact O-N 2.96Å
138V91.1Very high82.5Confident35 Ų3575.4 Ų75.421%0.21240%0.399CS..Hα-helixtrans-60.6-46.5177.5171.10000110.4M44 F48 V134 I135 K141 M142M44-V138 HydrophobicContact CE-CG2 3.9Å; F48-V138 HydrophobicContact CD2-CG2 4.47Å; F48-V138 HydrophobicContact CE2-CG2 3.86Å; V134-V138 HydrophobicContact CG1-CG2 4.4Å; V134-V138 WeakPolarHBondContact O-CB 3.34Å; V134-V138 WeakPolarHBondContact O-CG2 3.25Å; V134-V138 PolarHBondContact O-N 2.8Å; I135-V138 PolarHBondContact O-N 3.13Å; V138-K141 PolarHBondContact O-N 3.28Å; V138-M142 HydrophobicContact CG1-CG 4.42Å; V138-M142 HydrophobicContact CG1-SD 4.06Å; V138-M142 WeakPolarHBondContact O-CB 3.25Å; V138-M142 VanDerWaalsContact O-CG 3.28Å; V138-M142 WeakPolarHBondContact O-CG 3.48Å; V138-M142 PolarHBondContact O-N 3.37Å
139V89.6Confident80.4Confident88 Ų8875.5 Ų75.553%0.53340%0.404SS..Hα-helixtrans-63.9-47.2177.7171.60000111.1I135 I137 K141 M142 A143I135-V139 HydrophobicContact CG2-CG2 4.31Å; I135-V139 WeakPolarHBondContact O-CB 3.47Å; I135-V139 WeakPolarHBondContact O-CG2 3.49Å; I135-V139 PolarHBondContact O-N 3Å; I137-V139 PolarHBondContact O-N 3.48Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 PolarHBondContact O-N 2.69Å; V139-M142 PolarHBondContact O-N 3.21Å; V139-A143 WeakPolarHBondContact O-CB 3.42Å; V139-A143 PolarHBondContact O-N 3.45Å
140A87.3Confident78.7Confident24 Ų2474.4 Ų74.420%0.19840%0.401CS..Hα-helixtrans-59.6-39.2176.800000112F33 V37 G136 I137 S144F33-A140 HydrophobicContact CZ-CB 3.92Å; V37-A140 HydrophobicContact CG2-CB 3.97Å; G136-A140 VanDerWaalsContact O-CB 3.27Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 3.2Å; I137-A140 PolarHBondContact O-N 3.46Å; A140-S144 WeakPolarHBondContact O-CB 3.26Å; A140-S144 PolarHBondContact O-N 2.9Å; A140-S144 PolarHBondContact O-OG 2.94Å
141K87.1Confident77.9Confident11 Ų1174.5 Ų74.55%0.04840%0.403CS..Hα-helixtrans-68.7-42175.4-174.7177-163.871.20112.6V37 I39 W41 M44 I137 V138 V139 A143 S144 A145V37-K141 PolarHBondContact O-NZ 2.88Å; I39-K141 WeakPolarHBondContact O-CE 3.48Å; I39-K141 PolarHBondContact O-NZ 3.27Å; W41-K141 HydrophobicContact CD2-CD 3.95Å; W41-K141 HydrophobicContact CE3-CD 4.07Å; W41-K141 HydrophobicContact CH2-CB 4.49Å; W41-K141 HydrophobicContact CH2-CD 3.92Å; W41-K141 HydrophobicContact CH2-CG 4.12Å; W41-K141 HydrophobicContact CZ2-CD 3.78Å; W41-K141 HydrophobicContact CZ2-CG 3.77Å; W41-K141 HydrophobicContact CZ3-CD 4.07Å; M44-K141 HydrophobicContact CE-CD 4.18Å; M44-K141 HydrophobicContact SD-CD 3.26Å; M44-K141 WeakPolarHBondContact SD-CD 3.28Å; I137-K141 WeakPolarHBondContact O-CB 3.24Å; I137-K141 PolarHBondContact O-N 2.96Å; V138-K141 PolarHBondContact O-N 3.28Å; V139-K141 VanDerWaalsContact C-N 3.27Å; V139-K141 PolarHBondContact O-N 2.69Å; K141-A143 VanDerWaalsContact C-N 3.33Å; K141-S144 CarbonylContact O-C 3.59Å; K141-S144 PolarHBondContact O-N 3.2Å; K141-A145 WeakPolarHBondContact O-CB 3.42Å; K141-A145 PolarHBondContact O-N 2.89Å
142M83.6Confident77.6Confident121 Ų12172 Ų7260%0.59639%0.39SS*.Hα-helixtrans-62.4-42.7175.4-73.6-179.37100111.1W41 V138 V139 S144 A145W41-M142 HydrophobicContact CH2-CG 3.75Å; W41-M142 HydrophobicContact CZ2-CG 4.18Å; V138-M142 HydrophobicContact CG1-CG 4.42Å; V138-M142 HydrophobicContact CG1-SD 4.06Å; V138-M142 WeakPolarHBondContact O-CB 3.25Å; V138-M142 VanDerWaalsContact O-CG 3.28Å; V138-M142 WeakPolarHBondContact O-CG 3.48Å; V138-M142 PolarHBondContact O-N 3.37Å; V139-M142 PolarHBondContact O-N 3.21Å; M142-S144 VanDerWaalsContact C-N 3.31Å; M142-S144 PolarHBondContact O-N 3.49Å; M142-A145 PolarHBondContact O-N 2.99Å
143A76.9Confident77.4Confident60 Ų6068 Ų6850%0.49637%0.368SS..Hα-helixtrans-61-41173.800000111.6V139 K141V139-A143 WeakPolarHBondContact O-CB 3.42Å; V139-A143 PolarHBondContact O-N 3.45Å; K141-A143 VanDerWaalsContact C-N 3.33Å
144S68.5Low77.6Confident46 Ų4662.9 Ų62.932%0.32235%0.345SS..Hα-helixtrans-74.5-34179.2-60.30000113.6A140 K141 M142 R146 K147A140-S144 WeakPolarHBondContact O-CB 3.26Å; A140-S144 PolarHBondContact O-N 2.9Å; A140-S144 PolarHBondContact O-OG 2.94Å; K141-S144 CarbonylContact O-C 3.59Å; K141-S144 PolarHBondContact O-N 3.2Å; M142-S144 VanDerWaalsContact C-N 3.31Å; M142-S144 PolarHBondContact O-N 3.49Å; S144-R146 PolarHBondContact O-N 3.29Å; S144-K147 VanDerWaalsContact O-CB 3.28Å; S144-K147 WeakPolarHBondContact O-CB 3.36Å; S144-K147 WeakPolarHBondContact O-CG 3.47Å; S144-K147 PolarHBondContact O-N 3.23Å; S144-K147 VanDerWaalsContact O-N 3.09Å
145A56.7Low77.7Confident49 Ų4962 Ų6241%0.40534%0.339SS..Hα-helixtrans-66.4-19.3-17700000113.1K141 M142 K147 R148K141-A145 WeakPolarHBondContact O-CB 3.42Å; K141-A145 PolarHBondContact O-N 2.89Å; M142-A145 PolarHBondContact O-N 2.99Å; A145-K147 PolarHBondContact O-N 3.2Å; A145-R148 PolarHBondContact O-N 3.42Å
146R55Low77.8Confident116 Ų11661.1 Ų61.144%0.43834%0.336SS..G310 helixtrans-61.7-21.4172.5-162.1168.8179.8-169.9-11.2112.9S144 R148 A149 S258S144-R146 PolarHBondContact O-N 3.29Å; R146-R148 PolarHBondContact O-N 3.45Å; R146-A149 PolarHBondContact O-N 2.71Å; R146-S258 PolarHBondContact NH1-OG 2.64Å; R146-S258 PolarHBondContact NH2-OG 2.75Å
147K51.8Low78Confident118 Ų11864.4 Ų64.451%0.51334%0.337SS..G310 helixtrans-61.9-10.5176.3-68.2179.4175-179.20115.3S144 A145S144-K147 VanDerWaalsContact O-CB 3.28Å; S144-K147 WeakPolarHBondContact O-CB 3.36Å; S144-K147 WeakPolarHBondContact O-CG 3.47Å; S144-K147 PolarHBondContact O-N 3.23Å; S144-K147 VanDerWaalsContact O-N 3.09Å; A145-K147 PolarHBondContact O-N 3.2Å
148R53.6Low78.2Confident232 Ų23264 Ų6488%0.87534%0.335SS*.G310 helixtrans-100.8-7.7-175.8-151.3175179.6-172.6-1.2115.4A145 R146 Q150A145-R148 PolarHBondContact O-N 3.42Å; R146-R148 PolarHBondContact O-N 3.45Å; R148-Q150 PolarHBondContact O-N 2.93Å
149A50.6Low78.5Confident67 Ų6762.4 Ų62.455%0.55433%0.325SS*.  trans-8179.8165.900000107.8R146 T151R146-A149 PolarHBondContact O-N 2.71Å; A149-T151 HydrophobicContact CB-CG2 4.46Å; A149-T151 PolarHBondContact O-N 3.17Å
150Q60.3Low78.8Confident101 Ų10158.4 Ų58.447%0.47230%0.301SS..  trans-62.982.2168.9-71.3174.9-20.300108.1E11 R148 I152E11-Q150 PolarHBondContact O-NE2 3.35Å; E11-Q150 VanDerWaalsContact O-NE2 3.15Å; E11-Q150 PolarHBondContact O-OE1 3.11Å; R148-Q150 PolarHBondContact O-N 2.93Å; Q150-I152 PolarHBondContact O-N 3.48Å
151T76.8Confident79.2Confident35 Ų3557.7 Ų57.722%0.21529%0.294CS..  trans-71.8-23.1178.359.20000111.2A149 D175 F176 R177A149-T151 HydrophobicContact CB-CG2 4.46Å; A149-T151 PolarHBondContact O-N 3.17Å; T151-D175 VanDerWaalsContact CB-OD1 3.31Å; T151-D175 WeakPolarHBondContact CB-OD1 3.49Å; T151-D175 PolarHBondContact OG1-OD1 3.41Å; T151-F176 VanDerWaalsContact O-CD2 3.26Å; T151-F176 WeakPolarHBondContact O-CD2 3.42Å; T151-F176 PolarHBondContact O-N 3.35Å; T151-R177 HydrophobicContact CG2-CB 4.46Å
152I86.9Confident79.5Confident5 Ų560.1 Ų60.13%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-83.9121172.7-52-58.1000109.8Q150 I173 G174 D175 V182 L217 F252 Y254Q150-I152 PolarHBondContact O-N 3.48Å; I152-I173 HydrophobicContact CG2-CD1 3.68Å; I152-I173 HydrophobicContact CG2-CG1 3.59Å; I152-G174 WeakPolarHBondContact CA-O 3.47Å; I152-D175 HydrophobicContact CD1-CB 3.61Å; I152-V182 HydrophobicContact CD1-CG2 4.32Å; I152-L217 HydrophobicContact CD1-CD2 3.88Å; I152-L217 HydrophobicContact CG2-CD2 4.47Å; I152-F252 HydrophobicContact CG2-CD1 4.07Å; I152-Y254 HydrophobicContact CB-CE1 4.17Å; I152-Y254 HydrophobicContact CG1-CD1 4.08Å; I152-Y254 HydrophobicContact CG1-CE1 3.5Å; I152-Y254 VanDerWaalsContact CG1-CE1 3.5Å; I152-Y254 HydrophobicContact CG1-CE2 4.16Å
153G89.9Confident79.8Confident12 Ų1260.2 Ų60.212%0.12430%0.301CS..EExtended strand (participates in β ladder)trans-115.4161.9174.100000113.5I173 G174G153-I173 WeakPolarHBondContact O-CA 3.28Å; G153-G174 PolarHBondContact N-O 3.08Å; G153-G174 PolarHBondContact O-N 3.24Å
154F94.4Very high80.3Confident26 Ų2664.1 Ų64.111%0.11431%0.313CS..EExtended strand (participates in β ladder)trans-114.1154.2174.6-61.4-86.3000110.5R172 I173 V250 F252 T267F154-R172 CarbonylContact C-O 3.43Å; F154-R172 VanDerWaalsContact CA-O 3.3Å; F154-R172 WeakPolarHBondContact CA-O 3.4Å; F154-I173 HydrophobicContact CD1-CB 4.39Å; F154-I173 HydrophobicContact CD1-CD1 4.41Å; F154-I173 HydrophobicContact CD1-CG1 4.29Å; F154-I173 HydrophobicContact CE1-CD1 3.78Å; F154-I173 HydrophobicContact CE1-CG1 4.15Å; F154-I173 HydrophobicContact CZ-CD1 4.22Å; F154-V250 HydrophobicContact CD1-CG2 3.92Å; F154-V250 HydrophobicContact CE1-CG2 3.9Å; F154-V250 HydrophobicContact CZ-CG2 4.49Å; F154-F252 HydrophobicContact CE1-CB 4.31Å; F154-F252 HydrophobicContact CZ-CB 3.97Å; F154-T267 HydrophobicContact CB-CG2 3.54Å; F154-T267 HydrophobicContact CD1-CG2 4.01Å; F154-T267 HydrophobicContact CD2-CG2 3.6Å; F154-T267 HydrophobicContact CE2-CG2 4.27Å; F154-T267 HydrophobicContact CG-CG2 3.44Å; F154-T267 VanDerWaalsContact CG-CG2 3.44Å
155S95.6Very high81.3Confident2 Ų262.8 Ų62.81%0.01431%0.307CS..  trans-56.2148.517043.70000111.9R157 R172 Y269 N299S155-R157 VanDerWaalsContact C-N 3.25Å; S155-R157 WeakPolarHBondContact CB-O 3.41Å; S155-R157 PolarHBondContact O-N 3.38Å; S155-R157 PolarHBondContact OG-O 3.09Å; S155-R157 VanDerWaalsContact OG-O 3.07Å; S155-R172 PolarHBondContact N-O 3.27Å; S155-R172 PolarHBondContact OG-N 3.37Å; S155-R172 PolarHBondContact OG-O 2.61Å; S155-Y269 WeakPolarHBondContact O-CE1 3.49Å; S155-Y269 PolarHBondContact O-OH 2.8Å; S155-Y269 PolarHBondContact OG-OH 3.1Å; S155-Y269 VanDerWaalsContact OG-OH 3.1Å; S155-N299 WeakPolarHBondContact CA-OD1 3.31Å
156N94.5Very high82.9Confident93 Ų9363.9 Ų63.950%0.49730%0.301SS..SBendtrans-66.6-29175.9-71.8-22.8000113.2K10 N299K10-N156 PolarHBondContact NZ-O 2.82Å; K10-N156 VanDerWaalsContact NZ-O 3.13Å; N156-N299 PolarHBondContact N-OD1 3.33Å
157R95.8Very high84.8Confident104 Ų10458.5 Ų58.539%0.39228%0.281SS..SBendtrans-127.8147.4-176-58.5-67.4179.3152.1-2.6109.8S155 Y269 D272 E273 L275 F280S155-R157 VanDerWaalsContact C-N 3.25Å; S155-R157 WeakPolarHBondContact CB-O 3.41Å; S155-R157 PolarHBondContact O-N 3.38Å; S155-R157 PolarHBondContact OG-O 3.09Å; S155-R157 VanDerWaalsContact OG-O 3.07Å; R157-Y269 VanDerWaalsContact C-CE1 3.46Å; R157-D272 PolarHBondContact NH1-O 2.93Å; R157-E273 WeakPolarHBondContact CA-O 3.44Å; R157-E273 WeakPolarHBondContact CB-O 3.48Å; R157-E273 WeakPolarHBondContact CD-O 3.34Å; R157-L275 HydrophobicContact CB-CD1 4.01Å; R157-L275 HydrophobicContact CB-CG 4.26Å; R157-L275 HydrophobicContact CG-CD1 4.08Å; R157-L275 HydrophobicContact CG-CG 4.48Å; R157-F280 WeakPolarHBondContact O-CZ 3.06Å
158A96.8Very high86.8Confident0 Ų053 Ų530%026%0.257CS..EExtended strand (participates in β ladder)trans-96.1156.1164.600000108.4L169 S170 W171 L248 Y269 E273 I274 L275A158-L169 HydrophobicContact CB-CD1 4.18Å; A158-S170 CarbonylContact C-O 3.56Å; A158-S170 WeakPolarHBondContact CA-O 3.5Å; A158-W171 HydrophobicContact CB-CB 4.42Å; A158-L248 HydrophobicContact CB-CD2 4.44Å; A158-Y269 HydrophobicContact CB-CD1 3.94Å; A158-Y269 HydrophobicContact CB-CD2 4.4Å; A158-Y269 HydrophobicContact CB-CE1 4.22Å; A158-Y269 HydrophobicContact CB-CG 4.05Å; A158-E273 PolarHBondContact N-O 3.49Å; A158-I274 HydrophobicContact CB-CG1 4.3Å; A158-I274 CarbonylContact O-C 3.53Å; A158-I274 WeakPolarHBondContact O-CA 3.49Å; A158-L275 PolarHBondContact O-N 3.18Å
159V96.8Very high88.9Confident0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-128.9146.2-178.6-55.40000111L169 S170 L275 H278 F280 T301V159-L169 CarbonylContact O-C 3.57Å; V159-S170 PolarHBondContact N-O 3.48Å; V159-S170 PolarHBondContact O-N 3.07Å; V159-L275 CarbonylContact C-O 3.48Å; V159-L275 VanDerWaalsContact CA-O 3.31Å; V159-L275 WeakPolarHBondContact CA-O 3.23Å; V159-L275 HydrophobicContact CG1-CB 4.38Å; V159-H278 HydrophobicContact CB-CB 4.05Å; V159-H278 WeakPolarHBondContact CB-O 3.48Å; V159-H278 HydrophobicContact CG1-CB 3.84Å; V159-H278 WeakPolarHBondContact CG2-O 3.14Å; V159-F280 HydrophobicContact CB-CE2 4.42Å; V159-F280 HydrophobicContact CG1-CD2 4.41Å; V159-F280 HydrophobicContact CG1-CE1 4.43Å; V159-F280 HydrophobicContact CG1-CE2 4.11Å; V159-F280 HydrophobicContact CG1-CZ 4.12Å; V159-F280 HydrophobicContact CG2-CD2 3.58Å; V159-F280 HydrophobicContact CG2-CE2 3.56Å; V159-F280 HydrophobicContact CG2-CG 4.41Å; V159-F280 HydrophobicContact CG2-CZ 4.38Å; V159-T301 HydrophobicContact CG1-CG2 3.66Å
160I96.4Very high91Very high4 Ų439 Ų392%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-113.3124.4170.5-63.7169.9000107.9L167 C168 L169 L241 I274 L275 W276 G277 H278I160-L167 HydrophobicContact CG2-CD2 3.9Å; I160-C168 WeakPolarHBondContact CA-O 3.5Å; I160-L169 HydrophobicContact CD1-CD1 4.16Å; I160-L169 HydrophobicContact CG1-CB 4.31Å; I160-L169 HydrophobicContact CG1-CD1 3.59Å; I160-L241 HydrophobicContact CD1-CD2 4.03Å; I160-I274 HydrophobicContact CD1-CG2 3.63Å; I160-I274 HydrophobicContact CG1-CG2 3.88Å; I160-L275 PolarHBondContact N-O 3.26Å; I160-W276 HydrophobicContact CB-CD2 4.32Å; I160-W276 HydrophobicContact CB-CE3 4.14Å; I160-W276 HydrophobicContact CD1-CD2 4.49Å; I160-W276 HydrophobicContact CD1-CE3 3.53Å; I160-W276 HydrophobicContact CD1-CZ3 3.76Å; I160-W276 HydrophobicContact CG1-CE3 4.44Å; I160-W276 HydrophobicContact CG2-CD2 4.05Å; I160-W276 HydrophobicContact CG2-CE3 3.94Å; I160-W276 HydrophobicContact CG2-CH2 4.34Å; I160-W276 HydrophobicContact CG2-CZ2 4.44Å; I160-W276 HydrophobicContact CG2-CZ3 4.09Å; I160-G277 WeakPolarHBondContact O-CA 3.41Å; I160-G277 PolarHBondContact O-N 3.17Å; I160-H278 PolarHBondContact O-N 3.05Å
161N95Very high92.8Very high9 Ų934.3 Ų34.35%0.04817%0.169CC..EExtended strand (participates in β ladder)trans-144.7173.9174.858.952000112C168 H278 L279 V306N161-C168 PolarHBondContact N-O 3.07Å; N161-C168 VanDerWaalsContact N-O 3.08Å; N161-C168 PolarHBondContact O-N 2.96Å; N161-H278 WeakPolarHBondContact CB-O 3.48Å; N161-H278 PolarHBondContact ND2-O 2.9Å; N161-L279 WeakPolarHBondContact ND2-CD1 3.15Å; N161-V306 HydrophobicContact CB-CG2 4.28Å
162L93.6Very high93.6Very high63 Ų6333 Ų3333%0.3316%0.16SC..EExtended strand (participates in β ladder)trans-90120.6174.2-165.878.6000109.4Y166 L167 V306 Y314L162-Y166 CarbonylContact C-O 3.58Å; L162-Y166 WeakPolarHBondContact CA-O 3.35Å; L162-Y166 WeakPolarHBondContact CD1-O 2.91Å; L162-L167 HydrophobicContact CD1-CG 4.37Å; L162-V306 HydrophobicContact CB-CG1 4.47Å; L162-Y314 HydrophobicContact CD1-CD1 4.26Å; L162-Y314 HydrophobicContact CD1-CE1 3.49Å; L162-Y314 VanDerWaalsContact CD1-CE1 3.49Å; L162-Y314 WeakPolarHBondContact CD2-OH 3.47Å
163R90.6Very high94Very high122 Ų12232.8 Ų32.846%0.4616%0.159SC..EExtended strand (participates in β ladder)trans-128.4127.6174.9-167.2177.8-174.8-163.12.7109.3G165 Y166 C168 S224R163-G165 PolarHBondContact O-N 3.17Å; R163-Y166 PolarHBondContact N-O 3.36Å; R163-Y166 PolarHBondContact O-N 2.8Å; R163-Y166 VanDerWaalsContact O-O 3.12Å; R163-C168 HydrophobicContact CB-CB 4.41Å; R163-S224 PolarHBondContact NH1-OG 3.44Å
164D87.7Confident94.1Very high142 Ų14232.2 Ų32.276%0.75915%0.153SC*.THydrogen-bonded Turntrans51.432-177.9-53.6-43.2000113.9Y166D164-Y166 WeakPolarHBondContact O-CD2 3.24Å
165G87.6Confident93.8Very high19 Ų1931.1 Ų31.120%0.19615%0.148CC..THydrogen-bonded Turntrans76.117.3179.800000115.3R163 Y314 K318R163-G165 PolarHBondContact O-N 3.17Å; G165-Y314 WeakPolarHBondContact O-CE1 3.4Å; G165-K318 PolarHBondContact O-NZ 2.96Å; G165-K318 VanDerWaalsContact O-NZ 3.12Å
166Y91.6Very high93.3Very high71 Ų7136.3 Ų36.328%0.27817%0.171SC..EExtended strand (participates in β ladder)trans-123.1148.9171.2-64.8-81.7000111L162 R163 D164 R226 E315L162-Y166 CarbonylContact C-O 3.58Å; L162-Y166 WeakPolarHBondContact CA-O 3.35Å; L162-Y166 WeakPolarHBondContact CD1-O 2.91Å; R163-Y166 PolarHBondContact N-O 3.36Å; R163-Y166 PolarHBondContact O-N 2.8Å; R163-Y166 VanDerWaalsContact O-O 3.12Å; D164-Y166 WeakPolarHBondContact O-CD2 3.24Å; Y166-R226 HydrophobicContact CG-CG 4.4Å; Y166-R226 PolarHBondContact OH-NH2 3.41Å; Y166-E315 VanDerWaalsContact CD1-OE1 3.26Å; Y166-E315 WeakPolarHBondContact CD1-OE1 3.43Å; Y166-E315 VanDerWaalsContact CE1-OE1 3.29Å; Y166-E315 WeakPolarHBondContact CE1-OE1 3.32Å
167L94.1Very high92.7Very high3 Ų337.8 Ų37.82%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-76.3128.1171.6-85.2162.4000109.3I160 L162 I227 W276 V306 A311I160-L167 HydrophobicContact CG2-CD2 3.9Å; L162-L167 HydrophobicContact CD1-CG 4.37Å; L167-I227 HydrophobicContact CB-CD1 4.3Å; L167-I227 VanDerWaalsContact O-CB 3.31Å; L167-I227 WeakPolarHBondContact O-CB 3.4Å; L167-I227 WeakPolarHBondContact O-CG1 3.28Å; L167-I227 PolarHBondContact O-N 3.4Å; L167-W276 HydrophobicContact CD1-CH2 4.48Å; L167-W276 HydrophobicContact CD1-CZ2 4.22Å; L167-W276 HydrophobicContact CD2-CZ2 4.16Å; L167-V306 HydrophobicContact CD2-CG1 3.66Å; L167-A311 HydrophobicContact CB-CB 4.27Å; L167-A311 HydrophobicContact CD1-CB 4.02Å
168C95.3Very high91.6Very high2 Ų243.2 Ų43.21%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-128.9132-175.8-68.40000110.2I160 N161 R163 H225I160-C168 WeakPolarHBondContact CA-O 3.5Å; N161-C168 PolarHBondContact N-O 3.07Å; N161-C168 VanDerWaalsContact N-O 3.08Å; N161-C168 PolarHBondContact O-N 2.96Å; R163-C168 HydrophobicContact CB-CB 4.41Å; C168-H225 CarbonylContact C-O 3.5Å; C168-H225 VanDerWaalsContact CA-O 3.27Å; C168-H225 WeakPolarHBondContact CA-O 3.31Å
169L96.2Very high90.3Very high1 Ų152.5 Ų52.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-88.8131.1167.4175.367.7000108.4A158 V159 I160 L208 S224 H225 L233 L248 I274A158-L169 HydrophobicContact CB-CD1 4.18Å; V159-L169 CarbonylContact O-C 3.57Å; I160-L169 HydrophobicContact CD1-CD1 4.16Å; I160-L169 HydrophobicContact CG1-CB 4.31Å; I160-L169 HydrophobicContact CG1-CD1 3.59Å; L169-L208 HydrophobicContact CD2-CD2 4.12Å; L169-S224 CarbonylContact O-C 3.54Å; L169-S224 WeakPolarHBondContact O-CA 3.23Å; L169-H225 HydrophobicContact CB-CB 4.4Å; L169-H225 PolarHBondContact N-O 3.38Å; L169-H225 PolarHBondContact O-N 3.47Å; L169-L233 HydrophobicContact CD2-CD1 3.76Å; L169-L248 HydrophobicContact CD2-CD1 4.19Å; L169-L248 HydrophobicContact CD2-CD2 3.82Å; L169-L248 HydrophobicContact CG-CD2 4.45Å; L169-I274 HydrophobicContact CD1-CG2 3.81Å
170S96.1Very high89.3Confident4 Ų453.6 Ų53.63%0.02824%0.238CC..EExtended strand (participates in β ladder)trans-140.4146.6-174.4-59.40000112.9A158 V159 I223 S224A158-S170 CarbonylContact C-O 3.56Å; A158-S170 WeakPolarHBondContact CA-O 3.5Å; V159-S170 PolarHBondContact N-O 3.48Å; V159-S170 PolarHBondContact O-N 3.07Å; S170-I223 WeakPolarHBondContact CA-O 3.14Å; S170-S224 WeakPolarHBondContact OG-CB 3.48Å
171W96.5Very high88.6Confident3 Ų358.2 Ų58.21%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-141.2157.9171.761.794000109.7A158 A188 I210 T222 I223 H225 L248 V250 Y269A158-W171 HydrophobicContact CB-CB 4.42Å; W171-A188 HydrophobicContact CH2-CB 3.53Å; W171-A188 HydrophobicContact CZ2-CB 3.91Å; W171-A188 HydrophobicContact CZ3-CB 4.46Å; W171-I210 HydrophobicContact CH2-CD1 4.13Å; W171-I210 HydrophobicContact CH2-CG1 4.17Å; W171-I210 HydrophobicContact CZ2-CD1 4.03Å; W171-T222 CarbonylContact O-C 3.56Å; W171-T222 WeakPolarHBondContact O-CA 3.34Å; W171-I223 HydrophobicContact CD2-CB 4.32Å; W171-I223 HydrophobicContact CH2-CG2 3.84Å; W171-I223 HydrophobicContact CZ2-CB 3.97Å; W171-I223 HydrophobicContact CZ2-CG2 3.39Å; W171-I223 PolarHBondContact N-O 2.98Å; W171-I223 PolarHBondContact O-N 3.42Å; W171-H225 HydrophobicContact CZ3-CB 4.44Å; W171-L248 HydrophobicContact CE3-CD2 4.39Å; W171-V250 HydrophobicContact CD2-CG1 3.95Å; W171-V250 HydrophobicContact CE3-CG1 4.34Å; W171-V250 HydrophobicContact CH2-CG1 4.16Å; W171-V250 HydrophobicContact CZ2-CB 4.24Å; W171-V250 HydrophobicContact CZ2-CG1 3.73Å; W171-V250 HydrophobicContact CZ3-CG1 4.44Å; W171-Y269 HydrophobicContact CB-CE2 4.16Å; W171-Y269 HydrophobicContact CG-CE2 4.34Å
172R95.2Very high88.2Confident7 Ų757.8 Ų57.83%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-98.4146.5177-71.7175.5162.9177.2-9.8111.5F154 S155 T221 T222 F280 Q281 L297 F298F154-R172 CarbonylContact C-O 3.43Å; F154-R172 VanDerWaalsContact CA-O 3.3Å; F154-R172 WeakPolarHBondContact CA-O 3.4Å; S155-R172 PolarHBondContact N-O 3.27Å; S155-R172 PolarHBondContact OG-N 3.37Å; S155-R172 PolarHBondContact OG-O 2.61Å; R172-T221 WeakPolarHBondContact CA-O 3.31Å; R172-T222 HydrophobicContact CG-CG2 4.45Å; R172-T222 WeakPolarHBondContact CG-OG1 3.17Å; R172-F280 HydrophobicContact CG-CD1 4.07Å; R172-F280 HydrophobicContact CG-CD2 4Å; R172-F280 HydrophobicContact CG-CE1 4.07Å; R172-F280 HydrophobicContact CG-CE2 3.99Å; R172-F280 HydrophobicContact CG-CG 4.04Å; R172-F280 HydrophobicContact CG-CZ 4.03Å; R172-Q281 PolarHBondContact NH1-O 2.89Å; R172-Q281 PolarHBondContact NH2-O 3.43Å; R172-L297 PolarHBondContact NH1-O 3.37Å; R172-F298 HydrophobicContact CB-CD2 4.47Å; R172-F298 HydrophobicContact CB-CE2 3.85Å; R172-F298 HydrophobicContact CB-CZ 4.04Å; R172-F298 VanDerWaalsContact CD-O 3.22Å; R172-F298 WeakPolarHBondContact CD-O 3.44Å; R172-F298 PolarHBondContact NH1-O 3.44Å
173I93.9Very high87.9Confident1 Ų161.1 Ų61.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-127.2144.1167.6-169.9169.5000108.3I152 G153 F154 L217 P220 T221 I223 F252I152-I173 HydrophobicContact CG2-CD1 3.68Å; I152-I173 HydrophobicContact CG2-CG1 3.59Å; G153-I173 WeakPolarHBondContact O-CA 3.28Å; F154-I173 HydrophobicContact CD1-CB 4.39Å; F154-I173 HydrophobicContact CD1-CD1 4.41Å; F154-I173 HydrophobicContact CD1-CG1 4.29Å; F154-I173 HydrophobicContact CE1-CD1 3.78Å; F154-I173 HydrophobicContact CE1-CG1 4.15Å; F154-I173 HydrophobicContact CZ-CD1 4.22Å; I173-L217 HydrophobicContact CG1-CD2 4.19Å; I173-L217 HydrophobicContact CG2-CD1 3.93Å; I173-P220 CarbonylContact O-C 3.58Å; I173-P220 VanDerWaalsContact O-CA 3.24Å; I173-P220 WeakPolarHBondContact O-CA 3.23Å; I173-T221 PolarHBondContact N-O 3.02Å; I173-T221 PolarHBondContact O-N 3.47Å; I173-I223 HydrophobicContact CB-CD1 4.21Å; I173-I223 HydrophobicContact CG2-CD1 3.65Å; I173-I223 HydrophobicContact CG2-CG1 4.03Å; I173-F252 HydrophobicContact CD1-CB 3.36Å; I173-F252 HydrophobicContact CD1-CD1 3.51Å; I173-F252 HydrophobicContact CD1-CD2 3.63Å; I173-F252 HydrophobicContact CD1-CE1 4.14Å; I173-F252 HydrophobicContact CD1-CE2 4.26Å; I173-F252 HydrophobicContact CD1-CG 3.21Å; I173-F252 HydrophobicContact CD1-CZ 4.48Å
174G91.8Very high87.9Confident0 Ų055.8 Ų55.80%026%0.255CS..EExtended strand (participates in β ladder)trans-156.7147.5177.900000111.5I152 G153I152-G174 WeakPolarHBondContact CA-O 3.47Å; G153-G174 PolarHBondContact N-O 3.08Å; G153-G174 PolarHBondContact O-N 3.24Å
175D89.1Confident88.2Confident3 Ų350.3 Ų50.32%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-86.5130.4166.3-167.6-5.8000109.1T151 I152 R177 H180 L217 Y295T151-D175 VanDerWaalsContact CB-OD1 3.31Å; T151-D175 WeakPolarHBondContact CB-OD1 3.49Å; T151-D175 PolarHBondContact OG1-OD1 3.41Å; I152-D175 HydrophobicContact CD1-CB 3.61Å; D175-R177 VanDerWaalsContact C-N 3.34Å; D175-R177 WeakPolarHBondContact OD1-CB 3.22Å; D175-R177 PolarHBondContact OD1-N 3.46Å; D175-H180 WeakPolarHBondContact OD2-CB 3.36Å; D175-H180 IonicContact OD2-CE1 3.9Å; D175-H180 IonicContact OD2-CG 2.93Å; D175-H180 IonicContact OD2-ND1 2.78Å; D175-H180 PolarHBondContact OD2-ND1 2.69Å; D175-L217 HydrophobicContact CB-CD2 4.32Å; D175-Y295 WeakPolarHBondContact O-CE1 3.43Å; D175-Y295 VanDerWaalsContact O-CZ 3.3Å; D175-Y295 PolarHBondContact O-OH 3.4Å
176F85.6Confident88.5Confident112 Ų11249.4 Ų49.449%0.49122%0.219SC..  trans-86.9-6174.4-63.3-69.6000112.8T151 Y295 F298T151-F176 VanDerWaalsContact O-CD2 3.26Å; T151-F176 WeakPolarHBondContact O-CD2 3.42Å; T151-F176 PolarHBondContact O-N 3.35Å; F176-Y295 AromaticContact CD1-CD1 3.64Å; F176-Y295 HydrophobicContact CD1-CD1 3.64Å; F176-Y295 AromaticContact CD1-CE1 3.77Å; F176-Y295 HydrophobicContact CD1-CE1 3.77Å; F176-Y295 AromaticContact CE1-CD1 3.65Å; F176-Y295 HydrophobicContact CE1-CD1 3.65Å; F176-Y295 HydrophobicContact CE1-CE1 4.06Å; F176-F298 HydrophobicContact CZ-CE1 4.32Å
177R81.9Confident88.7Confident123 Ų12348.3 Ų48.346%0.46422%0.221SC..SBendtrans-82.7136175.9-159.6172.7-173.3-161.7-2.4110.7T151 D175 H180T151-R177 HydrophobicContact CG2-CB 4.46Å; D175-R177 VanDerWaalsContact C-N 3.34Å; D175-R177 WeakPolarHBondContact OD1-CB 3.22Å; D175-R177 PolarHBondContact OD1-N 3.46Å; R177-H180 HydrophobicContact CB-CB 4.19Å; R177-H180 HydrophobicContact CG-CB 4.36Å
178R71.4Confident88.7Confident218 Ų21848.4 Ų48.482%0.82322%0.222SC*.THydrogen-bonded Turntrans-75.4142.3177.6-61.4-176.1-179.4-173.20.4110.6H180R178-H180 PolarHBondContact O-N 2.99Å
179H69.4Low88.7Confident195 Ų19551.2 Ų51.290%0.90324%0.235SC*.THydrogen-bonded Turntrans57.730.3173.9-46.7102.2000114.8
180H77.2Confident88.6Confident23 Ų2351.2 Ų51.211%0.10624%0.235CC..  trans-112.3137.7176.5-170.7-134.1000108.7D175 R177 R178 V182 D256D175-H180 WeakPolarHBondContact OD2-CB 3.36Å; D175-H180 IonicContact OD2-CE1 3.9Å; D175-H180 IonicContact OD2-CG 2.93Å; D175-H180 IonicContact OD2-ND1 2.78Å; D175-H180 PolarHBondContact OD2-ND1 2.69Å; R177-H180 HydrophobicContact CB-CB 4.19Å; R177-H180 HydrophobicContact CG-CB 4.36Å; R178-H180 PolarHBondContact O-N 2.99Å; H180-V182 WeakPolarHBondContact CE1-CG2 3.39Å; H180-V182 WeakPolarHBondContact ND1-CG2 3.48Å; H180-D256 IonicContact NE2-OD1 2.68Å
181M81.9Confident88.5Confident101 Ų10151.1 Ų51.150%0.49823%0.234SC..  trans-118.7128.2177176.1-178.4-67.700106.4I216 V218M181-I216 HydrophobicContact CG-CG2 3.47Å; M181-I216 VanDerWaalsContact CG-CG2 3.47Å; M181-I216 HydrophobicContact SD-CG2 3.62Å; M181-V218 HydrophobicContact CB-CG2 4.19Å; M181-V218 HydrophobicContact CE-CG2 3.37Å; M181-V218 HydrophobicContact CG-CG2 3.7Å; M181-V218 HydrophobicContact SD-CG2 4.18Å
182V85.2Confident88.2Confident0 Ų053.7 Ų53.70%025%0.246CC..EExtended strand (participates in β ladder)trans-125.2116.4-176178.30000109.3I152 H180 L217 F252 Y254I152-V182 HydrophobicContact CD1-CG2 4.32Å; H180-V182 WeakPolarHBondContact CE1-CG2 3.39Å; H180-V182 WeakPolarHBondContact ND1-CG2 3.48Å; V182-L217 HydrophobicContact CB-CB 4.48Å; V182-L217 PolarHBondContact N-O 2.94Å; V182-L217 WeakPolarHBondContact O-CB 3.33Å; V182-L217 PolarHBondContact O-N 2.93Å; V182-F252 HydrophobicContact CG1-CE1 4.12Å; V182-Y254 HydrophobicContact CG1-CD1 4.5Å; V182-Y254 HydrophobicContact CG1-CD2 3.32Å; V182-Y254 HydrophobicContact CG1-CE2 4.24Å; V182-Y254 HydrophobicContact CG1-CG 3.47Å; V182-Y254 VanDerWaalsContact CG1-CG 3.47Å
183E88.5Confident87.7Confident134 Ų13456 Ų5663%0.62626%0.261SS*.EExtended strand (participates in β ladder)trans-85.4131.6167.9-171.4173.6-177.700109.7I216 Y254E183-I216 HydrophobicContact CB-CG1 4.41Å; E183-I216 HydrophobicContact CG-CG1 4.13Å; E183-Y254 WeakPolarHBondContact O-CB 3.46Å
184G90.6Very high87.2Confident9 Ų959.1 Ų59.19%0.09328%0.281CS..EExtended strand (participates in β ladder)trans-163.3170.6179.400000113.6D214 I215 T253G184-D214 WeakPolarHBondContact O-CA 3.46Å; G184-I215 PolarHBondContact N-O 3.39Å; G184-I215 VanDerWaalsContact N-O 3.07Å; G184-I215 PolarHBondContact O-N 2.87Å; G184-T253 CarbonylContact C-O 3.45Å; G184-T253 WeakPolarHBondContact CA-O 3.33Å
185S93.5Very high86.8Confident27 Ų2764.1 Ų64.119%0.18931%0.311CS..EExtended strand (participates in β ladder)trans-113.7130.5-179.2-158.80000110K213 D214 F252 T253S185-K213 WeakPolarHBondContact CA-O 3.34Å; S185-K213 WeakPolarHBondContact OG-CE 3.4Å; S185-D214 VanDerWaalsContact CB-OD1 3.24Å; S185-D214 WeakPolarHBondContact CB-OD1 3.32Å; S185-D214 PolarHBondContact OG-OD1 2.92Å; S185-F252 WeakPolarHBondContact O-CA 3.47Å; S185-T253 PolarHBondContact N-O 2.94Å; S185-T253 PolarHBondContact O-N 3.28Å
186S94.1Very high86.6Confident1 Ų168 Ų681%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-95.9138.8176.464.90000111.2Q212 K213 S251S186-Q212 PolarHBondContact OG-O 3.32Å; S186-K213 PolarHBondContact N-O 3.48Å; S186-K213 VanDerWaalsContact O-CG 3.24Å; S186-K213 WeakPolarHBondContact O-CG 3.49Å; S186-K213 PolarHBondContact OG-O 3.38Å; S186-S251 WeakPolarHBondContact CA-O 3.32Å
187C94.9Very high86.4Confident48 Ų4868.3 Ų68.332%0.32435%0.352SS..EExtended strand (participates in β ladder)trans-132.6142174.5-65.20000109.6V250 S251C187-V250 WeakPolarHBondContact O-CA 3.49Å; C187-S251 PolarHBondContact N-O 2.95Å; C187-S251 PolarHBondContact O-N 2.87Å
188A95.4Very high86.5Confident4 Ų468.1 Ų68.13%0.03336%0.364CS..EExtended strand (participates in β ladder)trans-134.4139.1176.700000110.3W171 L208 I210 L249 V250W171-A188 HydrophobicContact CH2-CB 3.53Å; W171-A188 HydrophobicContact CZ2-CB 3.91Å; W171-A188 HydrophobicContact CZ3-CB 4.46Å; A188-L208 HydrophobicContact CB-CB 4.12Å; A188-L208 PolarHBondContact O-N 3.05Å; A188-I210 HydrophobicContact CB-CD1 3.85Å; A188-I210 HydrophobicContact CB-CG1 4.2Å; A188-L249 CarbonylContact C-O 3.58Å; A188-L249 WeakPolarHBondContact CA-O 3.22Å; A188-V250 HydrophobicContact CB-CG1 4.13Å
189Q95.1Very high86.9Confident61 Ų6160.4 Ų60.429%0.28535%0.353SS..EExtended strand (participates in β ladder)trans-139.8143.2-178.9-59.3-176.6-50.100109.3E206 D207 L249Q189-E206 CarbonylContact C-O 3.52Å; Q189-E206 VanDerWaalsContact CA-O 3.27Å; Q189-E206 WeakPolarHBondContact CA-O 3.1Å; Q189-D207 VanDerWaalsContact CG-OD1 3.32Å; Q189-D207 WeakPolarHBondContact CG-OD1 3.48Å; Q189-D207 PolarHBondContact NE2-OD1 3.48Å; Q189-L249 PolarHBondContact N-O 3.38Å; Q189-L249 PolarHBondContact O-N 2.94Å
190I94.2Very high87.6Confident2 Ų257.1 Ų57.11%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-91.5132.3166.4-75174.9000108.6H192 Y205 E206 L208 P232 L233 F246 L248I190-H192 VanDerWaalsContact CG2-NE2 3.3Å; I190-H192 WeakPolarHBondContact CG2-NE2 3.24Å; I190-Y205 WeakPolarHBondContact O-CA 3.26Å; I190-E206 PolarHBondContact N-O 2.82Å; I190-E206 PolarHBondContact O-N 3.14Å; I190-L208 HydrophobicContact CB-CD1 4.03Å; I190-L208 HydrophobicContact CD1-CD1 3.65Å; I190-L208 HydrophobicContact CD1-CD2 4.19Å; I190-L208 HydrophobicContact CD1-CG 4.48Å; I190-L208 HydrophobicContact CG1-CD1 3.48Å; I190-L208 VanDerWaalsContact CG1-CD1 3.48Å; I190-L208 HydrophobicContact CG1-CD2 4.21Å; I190-P232 HydrophobicContact CD1-CB 4.36Å; I190-P232 HydrophobicContact CD1-CG 3.72Å; I190-L233 HydrophobicContact CD1-CD1 4.12Å; I190-L233 HydrophobicContact CD1-CD2 3.69Å; I190-L233 HydrophobicContact CD1-CG 3.75Å; I190-F246 HydrophobicContact CD1-CD2 4.37Å; I190-F246 HydrophobicContact CD1-CE2 4.25Å; I190-F246 HydrophobicContact CG1-CD2 4.17Å; I190-F246 HydrophobicContact CG1-CE2 4.32Å; I190-F246 HydrophobicContact CG2-CB 3.84Å; I190-F246 HydrophobicContact CG2-CD2 3.79Å; I190-F246 HydrophobicContact CG2-CG 3.99Å; I190-L248 HydrophobicContact CG1-CD1 4.31Å
191L92.7Very high88Confident2 Ų260 Ų601%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-105.2113.8176.6-17371.8000109.5Y7 I203 Y205 F246 E247Y7-L191 VanDerWaalsContact CB-CD2 3.44Å; Y7-L191 HydrophobicContact CD1-CD2 3.44Å; Y7-L191 VanDerWaalsContact CD1-CD2 3.44Å; Y7-L191 HydrophobicContact CD2-CD2 4.47Å; Y7-L191 HydrophobicContact CE1-CD2 4.32Å; Y7-L191 HydrophobicContact CG-CD2 3.55Å; L191-I203 HydrophobicContact CD1-CG2 3.29Å; L191-I203 HydrophobicContact CG-CG2 4.18Å; L191-Y205 HydrophobicContact CD1-CD1 3.61Å; L191-Y205 HydrophobicContact CD1-CD2 4.41Å; L191-Y205 HydrophobicContact CD1-CE1 3.28Å; L191-Y205 HydrophobicContact CD1-CE2 4.12Å; L191-Y205 HydrophobicContact CD1-CG 4.17Å; L191-F246 VanDerWaalsContact O-CA 3.3Å; L191-F246 WeakPolarHBondContact O-CA 3.27Å; L191-F246 WeakPolarHBondContact O-CB 3.31Å; L191-E247 HydrophobicContact CB-CB 4.26Å; L191-E247 WeakPolarHBondContact CB-O 3.21Å; L191-E247 HydrophobicContact CD2-CB 4.49Å; L191-E247 PolarHBondContact N-O 3.44Å; L191-E247 PolarHBondContact O-N 2.98Å
192H90.1Very high88.2Confident56 Ų5658.8 Ų58.826%0.25935%0.352SS..EExtended strand (participates in β ladder)trans-98.9122170.8-73.4-70.9000109.7I190 I203 A204 E206I190-H192 VanDerWaalsContact CG2-NE2 3.3Å; I190-H192 WeakPolarHBondContact CG2-NE2 3.24Å; H192-I203 WeakPolarHBondContact O-CA 3.25Å; H192-A204 HydrophobicContact CB-CB 4.37Å; H192-A204 PolarHBondContact N-O 3.19Å; H192-A204 PolarHBondContact O-N 3.29Å; H192-E206 IonicContact CD2-OE1 2.72Å
193T85.3Confident88.3Confident56 Ų5661.5 Ų61.534%0.34437%0.366SS..EExtended strand (participates in β ladder)trans-107.5110172-56.70000108.2V201T193-V201 HydrophobicContact CG2-CG1 3.82Å
194T83.3Confident88.4Confident67 Ų6757 Ų5741%0.41135%0.351SS..EExtended strand (participates in β ladder)trans-109.2126.5178.251.50000109.5V201 N202T194-V201 WeakPolarHBondContact O-CA 3.44Å; T194-N202 PolarHBondContact N-O 2.8Å; T194-N202 PolarHBondContact O-N 2.92Å; T194-N202 PolarHBondContact OG1-O 2.9Å
195V83.1Confident88.4Confident105 Ų10561.5 Ų61.564%0.63637%0.366SS*.EExtended strand (participates in β ladder)trans-103.7110.2175.2-1750000107.2V201V195-V201 HydrophobicContact CG1-CG2 4.45Å; V195-V201 HydrophobicContact CG2-CG2 4.25Å
196H84.4Confident88.4Confident85 Ų8564.1 Ų64.139%0.39438%0.376SS..  trans-72.3154.1176.7-67-80.6000110.6T198 G199 E200H196-T198 WeakPolarHBondContact CB-OG1 3.32Å; H196-T198 PolarHBondContact O-N 2.83Å; H196-T198 VanDerWaalsContact O-N 3.1Å; H196-G199 PolarHBondContact O-N 3.34Å; H196-E200 HydrophobicContact CB-CB 4.33Å; H196-E200 PolarHBondContact N-O 3.33Å
197A82.1Confident88.3Confident117 Ų11769.9 Ų69.997%0.96741%0.407SS*.THydrogen-bonded Turntrans-60.6-21.2177.800000113.3G199A197-G199 PolarHBondContact O-N 3.2Å
198T83.5Confident88.2Confident119 Ų11968.2 Ų68.273%0.7339%0.394SS*.THydrogen-bonded Turntrans-71.5-9.7172.952.80000113.5H196 E200H196-T198 WeakPolarHBondContact CB-OG1 3.32Å; H196-T198 PolarHBondContact O-N 2.83Å; H196-T198 VanDerWaalsContact O-N 3.1Å; T198-E200 VanDerWaalsContact C-N 3.35Å
199G80.4Confident88.1Confident56 Ų5671.8 Ų71.858%0.57742%0.424SS*.SBendtrans87.6-0.1-172.700000114.1H196 A197H196-G199 PolarHBondContact O-N 3.34Å; A197-G199 PolarHBondContact O-N 3.2Å
200E85.2Confident88Confident127 Ų12770.2 Ų70.259%0.59342%0.417SS*.  trans-73.9132.3175-171.5176-178.500110.8H196 T198H196-E200 HydrophobicContact CB-CB 4.33Å; H196-E200 PolarHBondContact N-O 3.33Å; T198-E200 VanDerWaalsContact C-N 3.35Å
201V84.1Confident87.7Confident82 Ų8274.7 Ų74.750%0.49744%0.438SS..EExtended strand (participates in β ladder)trans-105.8115.1177.3-176.50000108.6T193 T194 V195 I203T193-V201 HydrophobicContact CG2-CG1 3.82Å; T194-V201 WeakPolarHBondContact O-CA 3.44Å; V195-V201 HydrophobicContact CG1-CG2 4.45Å; V195-V201 HydrophobicContact CG2-CG2 4.25Å; V201-I203 HydrophobicContact CG1-CG1 4.36Å
202N86.3Confident87.5Confident77 Ų7780.5 Ų80.541%0.41247%0.465SS..EExtended strand (participates in β ladder)trans-104.1127.5175.5-174.4-7.7000109.9T194T194-N202 PolarHBondContact N-O 2.8Å; T194-N202 PolarHBondContact O-N 2.92Å; T194-N202 PolarHBondContact OG1-O 2.9Å
203I87.7Confident87.5Confident57 Ų5783 Ų8329%0.29248%0.475SS..EExtended strand (participates in β ladder)trans-112.1110.3179.9-57.1179.6000108.1Y7 L191 H192 V201 Y205Y7-I203 HydrophobicContact CD2-CD1 4.22Å; Y7-I203 HydrophobicContact CE2-CD1 3.62Å; L191-I203 HydrophobicContact CD1-CG2 3.29Å; L191-I203 HydrophobicContact CG-CG2 4.18Å; H192-I203 WeakPolarHBondContact O-CA 3.25Å; V201-I203 HydrophobicContact CG1-CG1 4.36Å; I203-Y205 HydrophobicContact CG2-CD2 4.46Å; I203-Y205 HydrophobicContact CG2-CE2 3.71Å
204A90.3Very high87.8Confident38 Ų3885.7 Ų85.731%0.31449%0.487SS..EExtended strand (participates in β ladder)trans-106.5139.6177.600000111H192H192-A204 HydrophobicContact CB-CB 4.37Å; H192-A204 PolarHBondContact N-O 3.19Å; H192-A204 PolarHBondContact O-N 3.29Å
205Y91.1Very high88.2Confident104 Ų10483.2 Ų83.241%0.40847%0.472SS..EExtended strand (participates in β ladder)trans-113.5128177.3-61-98.5000109.1Y7 I190 L191 I203Y7-Y205 WeakPolarHBondContact CE1-OH 3.46Å; Y7-Y205 PolarHBondContact OH-OH 3.3Å; I190-Y205 WeakPolarHBondContact O-CA 3.26Å; L191-Y205 HydrophobicContact CD1-CD1 3.61Å; L191-Y205 HydrophobicContact CD1-CD2 4.41Å; L191-Y205 HydrophobicContact CD1-CE1 3.28Å; L191-Y205 HydrophobicContact CD1-CE2 4.12Å; L191-Y205 HydrophobicContact CD1-CG 4.17Å; I203-Y205 HydrophobicContact CG2-CD2 4.46Å; I203-Y205 HydrophobicContact CG2-CE2 3.71Å
206E92.3Very high88.6Confident83 Ų8382.8 Ų82.839%0.38847%0.465SS..EExtended strand (participates in β ladder)trans-123.1122.6176.7-66.1-177.2-171.700110Q189 I190 H192 P232Q189-E206 CarbonylContact C-O 3.52Å; Q189-E206 VanDerWaalsContact CA-O 3.27Å; Q189-E206 WeakPolarHBondContact CA-O 3.1Å; I190-E206 PolarHBondContact N-O 2.82Å; I190-E206 PolarHBondContact O-N 3.14Å; H192-E206 IonicContact CD2-OE1 2.72Å; E206-P232 WeakPolarHBondContact OE2-CB 3.21Å
207D92.5Very high88.8Confident122 Ų12278.8 Ų78.865%0.65245%0.446SS*.EExtended strand (participates in β ladder)trans-73.6138.6-176.3-71.1-23.7000112.1Q189Q189-D207 VanDerWaalsContact CG-OD1 3.32Å; Q189-D207 WeakPolarHBondContact CG-OD1 3.48Å; Q189-D207 PolarHBondContact NE2-OD1 3.48Å
208L93.4Very high89.1Confident12 Ų1276.9 Ų76.96%0.06342%0.422CS..EExtended strand (participates in β ladder)trans-105.4126.7173.6-90.367.3000110.8L169 A188 I190 I210 P232 L233 L248L169-L208 HydrophobicContact CD2-CD2 4.12Å; A188-L208 HydrophobicContact CB-CB 4.12Å; A188-L208 PolarHBondContact O-N 3.05Å; I190-L208 HydrophobicContact CB-CD1 4.03Å; I190-L208 HydrophobicContact CD1-CD1 3.65Å; I190-L208 HydrophobicContact CD1-CD2 4.19Å; I190-L208 HydrophobicContact CD1-CG 4.48Å; I190-L208 HydrophobicContact CG1-CD1 3.48Å; I190-L208 VanDerWaalsContact CG1-CD1 3.48Å; I190-L208 HydrophobicContact CG1-CD2 4.21Å; L208-I210 PolarHBondContact O-N 2.91Å; L208-P232 HydrophobicContact CD1-CG 3.8Å; L208-P232 HydrophobicContact CG-CG 4.5Å; L208-L233 HydrophobicContact CD2-CD1 4.3Å; L208-L248 HydrophobicContact CD2-CD1 3.93Å
209A92.4Very high89.4Confident79 Ų7973.3 Ų73.365%0.65340%0.4SS*.  trans-73.1109.1177.500000112H225A209-H225 PolarHBondContact O-ND1 3.45Å
210I93.8Very high90Very high28 Ų2871.1 Ų71.114%0.14438%0.376CS..BIsolated β-bridgetrans-86140.8178.7-60.1170.5000109.8W171 A188 L208 Q212 I223W171-I210 HydrophobicContact CH2-CD1 4.13Å; W171-I210 HydrophobicContact CH2-CG1 4.17Å; W171-I210 HydrophobicContact CZ2-CD1 4.03Å; A188-I210 HydrophobicContact CB-CD1 3.85Å; A188-I210 HydrophobicContact CB-CG1 4.2Å; L208-I210 PolarHBondContact O-N 2.91Å; I210-Q212 WeakPolarHBondContact CG2-O 3.15Å; I210-I223 HydrophobicContact CD1-CG2 4.3Å; I210-I223 HydrophobicContact CG1-CG2 4.47Å; I210-I223 HydrophobicContact CG2-CG2 3.38Å
211Q88.4Confident90.3Very high97 Ų9766.7 Ų66.745%0.45336%0.357SS..SBendtrans-64.7-40.6179.5-72.3-177.2-31.700113.2S224 R226Q211-S224 PolarHBondContact N-O 2.56Å; Q211-S224 VanDerWaalsContact N-O 3.13Å; Q211-S224 PolarHBondContact OE1-OG 2.92Å; Q211-R226 HydrophobicContact CG-CB 4.32Å
212Q88.7Confident90.8Very high123 Ų12365 Ų6558%0.57535%0.348SS*.  trans-125.493.9177.9-71.9176.9-2400108.3S186 I210 I215S186-Q212 PolarHBondContact OG-O 3.32Å; I210-Q212 WeakPolarHBondContact CG2-O 3.15Å; Q212-I215 HydrophobicContact CB-CD1 4.37Å; Q212-I215 HydrophobicContact CB-CG1 4.2Å; Q212-I215 WeakPolarHBondContact O-CD1 3.39Å
213K89.4Confident91.2Very high110 Ų11061.6 Ų61.648%0.47833%0.329SS..  trans-69.9-51.8-179.1-165.8-171.2176.1177.70110.5S185 S186S185-K213 WeakPolarHBondContact CA-O 3.34Å; S185-K213 WeakPolarHBondContact OG-CE 3.4Å; S186-K213 PolarHBondContact N-O 3.48Å; S186-K213 VanDerWaalsContact O-CG 3.24Å; S186-K213 WeakPolarHBondContact O-CG 3.49Å; S186-K213 PolarHBondContact OG-O 3.38Å
214D92.4Very high91.6Very high112 Ų11259.1 Ų59.160%0.59932%0.317SS*.EExtended strand (participates in β ladder)trans-96.3124.5-177.3-52.6-46000109.8G184 S185G184-D214 WeakPolarHBondContact O-CA 3.46Å; S185-D214 VanDerWaalsContact CB-OD1 3.24Å; S185-D214 WeakPolarHBondContact CB-OD1 3.32Å; S185-D214 PolarHBondContact OG-OD1 2.92Å
215I91Very high91.8Very high15 Ų1557.5 Ų57.58%0.07730%0.303CS..EExtended strand (participates in β ladder)trans-137.4135.2-171.7-59.6172.4000109G184 Q212 T221 I223G184-I215 PolarHBondContact N-O 3.39Å; G184-I215 VanDerWaalsContact N-O 3.07Å; G184-I215 PolarHBondContact O-N 2.87Å; Q212-I215 HydrophobicContact CB-CD1 4.37Å; Q212-I215 HydrophobicContact CB-CG1 4.2Å; Q212-I215 WeakPolarHBondContact O-CD1 3.39Å; I215-T221 HydrophobicContact CG2-CG2 4.36Å; I215-I223 HydrophobicContact CD1-CD1 4.26Å; I215-I223 HydrophobicContact CD1-CG1 3.72Å
216I90.4Very high92Very high96 Ų9655.8 Ų55.849%0.49230%0.296SS..EExtended strand (participates in β ladder)trans-91.7109.1166-57.3173.1000107.8M181 E183 V218M181-I216 HydrophobicContact CG-CG2 3.47Å; M181-I216 VanDerWaalsContact CG-CG2 3.47Å; M181-I216 HydrophobicContact SD-CG2 3.62Å; E183-I216 HydrophobicContact CB-CG1 4.41Å; E183-I216 HydrophobicContact CG-CG1 4.13Å; I216-V218 HydrophobicContact CG2-CG2 4.26Å; I216-V218 PolarHBondContact O-N 3.49Å
217L89.7Confident92.1Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-91.998.9-175.6-165.971.6000110.3I152 I173 D175 V182 T219I152-L217 HydrophobicContact CD1-CD2 3.88Å; I152-L217 HydrophobicContact CG2-CD2 4.47Å; I173-L217 HydrophobicContact CG1-CD2 4.19Å; I173-L217 HydrophobicContact CG2-CD1 3.93Å; D175-L217 HydrophobicContact CB-CD2 4.32Å; V182-L217 HydrophobicContact CB-CB 4.48Å; V182-L217 PolarHBondContact N-O 2.94Å; V182-L217 WeakPolarHBondContact O-CB 3.33Å; V182-L217 PolarHBondContact O-N 2.93Å; L217-T219 WeakPolarHBondContact CD1-O 3.32Å
218V88.6Confident92Very high77 Ų7750.1 Ų50.147%0.46727%0.266SS..SBendtrans-105.5-46.8170.5-178.30000110.5M181 I216M181-V218 HydrophobicContact CB-CG2 4.19Å; M181-V218 HydrophobicContact CE-CG2 3.37Å; M181-V218 HydrophobicContact CG-CG2 3.7Å; M181-V218 HydrophobicContact SD-CG2 4.18Å; I216-V218 HydrophobicContact CG2-CG2 4.26Å; I216-V218 PolarHBondContact O-N 3.49Å
219T90Very high91.9Very high45 Ų4553.9 Ų53.928%0.27629%0.291SS..SBendtrans-112.2155.4172.655.60000108.8L217 T221 I284 V293L217-T219 WeakPolarHBondContact CD1-O 3.32Å; T219-T221 PolarHBondContact O-N 2.88Å; T219-T221 PolarHBondContact O-OG1 3.27Å; T219-T221 VanDerWaalsContact O-OG1 3.14Å; T219-I284 HydrophobicContact CG2-CD1 4.33Å; T219-V293 HydrophobicContact CG2-CG2 3.9Å
220P91.5Very high91.6Very high9 Ų953.9 Ų53.96%0.05830%0.299CS..  trans-53.4126.8173.3-28.938.6000111.8I173 M283 V293 Y295 F298I173-P220 CarbonylContact O-C 3.58Å; I173-P220 VanDerWaalsContact O-CA 3.24Å; I173-P220 WeakPolarHBondContact O-CA 3.23Å; P220-M283 HydrophobicContact CB-CE 3.86Å; P220-M283 HydrophobicContact CB-SD 3.6Å; P220-M283 HydrophobicContact CG-CE 3.64Å; P220-M283 HydrophobicContact CG-SD 4.07Å; P220-V293 HydrophobicContact CG-CG1 3.99Å; P220-Y295 HydrophobicContact CG-CD1 4.32Å; P220-Y295 HydrophobicContact CG-CE1 3.54Å; P220-Y295 HydrophobicContact CG-CE2 4.41Å; P220-F298 HydrophobicContact CB-CD2 4Å; P220-F298 HydrophobicContact CB-CE2 3.98Å; P220-F298 HydrophobicContact CG-CD2 4.37Å
221T92.8Very high91.5Very high34 Ų3453.2 Ų53.221%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-117.1144.3-174.9-61.40000109.3R172 I173 I215 T219R172-T221 WeakPolarHBondContact CA-O 3.31Å; I173-T221 PolarHBondContact N-O 3.02Å; I173-T221 PolarHBondContact O-N 3.47Å; I215-T221 HydrophobicContact CG2-CG2 4.36Å; T219-T221 PolarHBondContact O-N 2.88Å; T219-T221 PolarHBondContact O-OG1 3.27Å; T219-T221 VanDerWaalsContact O-OG1 3.14Å
222T94.6Very high91.7Very high48 Ų4851 Ų5129%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-94.3116.9174.3-55.20000108.6W171 R172 F280W171-T222 CarbonylContact O-C 3.56Å; W171-T222 WeakPolarHBondContact O-CA 3.34Å; R172-T222 HydrophobicContact CG-CG2 4.45Å; R172-T222 WeakPolarHBondContact CG-OG1 3.17Å; T222-F280 HydrophobicContact CG2-CD2 4Å; T222-F280 HydrophobicContact CG2-CE2 4.35Å
223I95.2Very high91.8Very high4 Ų445.7 Ų45.72%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-84.1130.4173.5-62.4168000107.7S170 W171 I173 I210 I215S170-I223 WeakPolarHBondContact CA-O 3.14Å; W171-I223 HydrophobicContact CD2-CB 4.32Å; W171-I223 HydrophobicContact CH2-CG2 3.84Å; W171-I223 HydrophobicContact CZ2-CB 3.97Å; W171-I223 HydrophobicContact CZ2-CG2 3.39Å; W171-I223 PolarHBondContact N-O 2.98Å; W171-I223 PolarHBondContact O-N 3.42Å; I173-I223 HydrophobicContact CB-CD1 4.21Å; I173-I223 HydrophobicContact CG2-CD1 3.65Å; I173-I223 HydrophobicContact CG2-CG1 4.03Å; I210-I223 HydrophobicContact CD1-CG2 4.3Å; I210-I223 HydrophobicContact CG1-CG2 4.47Å; I210-I223 HydrophobicContact CG2-CG2 3.38Å; I215-I223 HydrophobicContact CD1-CD1 4.26Å; I215-I223 HydrophobicContact CD1-CG1 3.72Å
224S95Very high92Very high6 Ų641.7 Ų41.74%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-121.913117947.60000112.6R163 L169 S170 Q211R163-S224 PolarHBondContact NH1-OG 3.44Å; L169-S224 CarbonylContact O-C 3.54Å; L169-S224 WeakPolarHBondContact O-CA 3.23Å; S170-S224 WeakPolarHBondContact OG-CB 3.48Å; Q211-S224 PolarHBondContact N-O 2.56Å; Q211-S224 VanDerWaalsContact N-O 3.13Å; Q211-S224 PolarHBondContact OE1-OG 2.92Å
225H95.5Very high92Very high3 Ų343.3 Ų43.31%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-100.2122.6165.4168.665.2000108.6C168 L169 W171 A209 S231C168-H225 CarbonylContact C-O 3.5Å; C168-H225 VanDerWaalsContact CA-O 3.27Å; C168-H225 WeakPolarHBondContact CA-O 3.31Å; L169-H225 HydrophobicContact CB-CB 4.4Å; L169-H225 PolarHBondContact N-O 3.38Å; L169-H225 PolarHBondContact O-N 3.47Å; W171-H225 HydrophobicContact CZ3-CB 4.44Å; A209-H225 PolarHBondContact O-ND1 3.45Å; H225-S231 PolarHBondContact NE2-OG 3.35Å
226R94.9Very high92.1Very high68 Ų6844.3 Ų44.326%0.25725%0.254SS..EExtended strand (participates in β ladder)trans-83.5127.2174.3-172.9178.3166.5-161.9-4.3109.2Y166 Q211 E228Y166-R226 HydrophobicContact CG-CG 4.4Å; Y166-R226 PolarHBondContact OH-NH2 3.41Å; Q211-R226 HydrophobicContact CG-CB 4.32Å; R226-E228 HydrophobicContact CB-CG 4.31Å; R226-E228 VanDerWaalsContact CD-OE1 3.26Å; R226-E228 WeakPolarHBondContact CD-OE1 3.22Å; R226-E228 HydrophobicContact CG-CG 3.79Å; R226-E228 IonicContact CZ-OE1 2.71Å; R226-E228 IonicContact NE-OE1 3.16Å; R226-E228 PolarHBondContact NE-OE1 2.88Å; R226-E228 VanDerWaalsContact NE-OE1 3.16Å; R226-E228 IonicContact NH1-OE1 3.83Å; R226-E228 PolarHBondContact NH1-OE1 3.38Å; R226-E228 IonicContact NH2-OE1 3.45Å; R226-E228 PolarHBondContact O-N 2.9Å
227I94.2Very high92.2Very high4 Ų440.6 Ų40.62%0.02124%0.237CC..  trans-83.285.8-179.3-54.8176.7000108.1L167 L233 Y234 A311L167-I227 HydrophobicContact CB-CD1 4.3Å; L167-I227 VanDerWaalsContact O-CB 3.31Å; L167-I227 WeakPolarHBondContact O-CB 3.4Å; L167-I227 WeakPolarHBondContact O-CG1 3.28Å; L167-I227 PolarHBondContact O-N 3.4Å; I227-L233 HydrophobicContact CD1-CB 4.25Å; I227-L233 HydrophobicContact CG1-CB 4.43Å; I227-L233 HydrophobicContact CG2-CB 4.05Å; I227-Y234 HydrophobicContact CG2-CD2 4.34Å; I227-A311 HydrophobicContact CB-CB 4.23Å; I227-A311 HydrophobicContact CG2-CB 3.68Å
228E91.1Very high92.4Very high83 Ų8341.7 Ų41.739%0.38824%0.243SC..  trans-94.9170176.8-66.7-169.4163.500111.7R226 G230 S231 Y234R226-E228 HydrophobicContact CB-CG 4.31Å; R226-E228 VanDerWaalsContact CD-OE1 3.26Å; R226-E228 WeakPolarHBondContact CD-OE1 3.22Å; R226-E228 HydrophobicContact CG-CG 3.79Å; R226-E228 IonicContact CZ-OE1 2.71Å; R226-E228 IonicContact NE-OE1 3.16Å; R226-E228 PolarHBondContact NE-OE1 2.88Å; R226-E228 VanDerWaalsContact NE-OE1 3.16Å; R226-E228 IonicContact NH1-OE1 3.83Å; R226-E228 PolarHBondContact NH1-OE1 3.38Å; R226-E228 IonicContact NH2-OE1 3.45Å; R226-E228 PolarHBondContact O-N 2.9Å; E228-G230 PolarHBondContact O-N 3.22Å; E228-S231 VanDerWaalsContact O-CB 3.24Å; E228-S231 WeakPolarHBondContact O-CB 3.28Å; E228-S231 PolarHBondContact O-N 3.47Å; E228-Y234 WeakPolarHBondContact O-CB 3.15Å; E228-Y234 VanDerWaalsContact O-CD2 3.31Å; E228-Y234 WeakPolarHBondContact O-CD2 3.22Å
229P89.6Confident92.5Very high90 Ų9043.8 Ų43.858%0.58425%0.248SC*.THydrogen-bonded Turntrans-53.7-22.4-179-28.334000116.5Y234P229-Y234 HydrophobicContact CB-CD1 4.34Å; P229-Y234 HydrophobicContact CB-CE1 4.02Å; P229-Y234 HydrophobicContact CB-CE2 4.4Å; P229-Y234 HydrophobicContact CG-CE1 4.13Å; P229-Y234 HydrophobicContact CG-CE2 3.9Å
230G87.4Confident92.6Very high80 Ų8045 Ų4583%0.82525%0.252SS*.THydrogen-bonded Turntrans-87.5-4.2174.500000114.9E228E228-G230 PolarHBondContact O-N 3.22Å
231S91.9Very high92.6Very high13 Ų1344.8 Ų44.89%0.09125%0.251CS..SBendtrans-80.7138.3178.5177.20000110.8H225 E228 L233 Y234H225-S231 PolarHBondContact NE2-OG 3.35Å; E228-S231 VanDerWaalsContact O-CB 3.24Å; E228-S231 WeakPolarHBondContact O-CB 3.28Å; E228-S231 PolarHBondContact O-N 3.47Å; S231-L233 PolarHBondContact O-N 2.9Å; S231-L233 VanDerWaalsContact O-N 3.09Å; S231-L233 PolarHBondContact OG-N 2.84Å; S231-Y234 VanDerWaalsContact O-CB 3.24Å; S231-Y234 WeakPolarHBondContact O-CB 3.44Å; S231-Y234 PolarHBondContact O-N 2.92Å
232P90.9Very high92.4Very high51 Ų5152 Ų5233%0.33127%0.274SS..THydrogen-bonded Turntrans-61.1-19.8173.826.5-36.3000113.3I190 E206 L208I190-P232 HydrophobicContact CD1-CB 4.36Å; I190-P232 HydrophobicContact CD1-CG 3.72Å; E206-P232 WeakPolarHBondContact OE2-CB 3.21Å; L208-P232 HydrophobicContact CD1-CG 3.8Å; L208-P232 HydrophobicContact CG-CG 4.5Å
233L92.4Very high92.2Very high12 Ų1257.4 Ų57.46%0.06329%0.293CS..THydrogen-bonded Turntrans-87.8-1.8178.3-60.7176.6000113.6L169 I190 L208 I227 S231 K235 M236 F246L169-L233 HydrophobicContact CD2-CD1 3.76Å; I190-L233 HydrophobicContact CD1-CD1 4.12Å; I190-L233 HydrophobicContact CD1-CD2 3.69Å; I190-L233 HydrophobicContact CD1-CG 3.75Å; L208-L233 HydrophobicContact CD2-CD1 4.3Å; I227-L233 HydrophobicContact CD1-CB 4.25Å; I227-L233 HydrophobicContact CG1-CB 4.43Å; I227-L233 HydrophobicContact CG2-CB 4.05Å; S231-L233 PolarHBondContact O-N 2.9Å; S231-L233 VanDerWaalsContact O-N 3.09Å; S231-L233 PolarHBondContact OG-N 2.84Å; L233-K235 VanDerWaalsContact C-N 3.34Å; L233-K235 PolarHBondContact O-N 3.03Å; L233-M236 HydrophobicContact CD2-SD 3.84Å; L233-M236 WeakPolarHBondContact O-CB 3.48Å; L233-M236 PolarHBondContact O-N 3.45Å; L233-M236 VanDerWaalsContact O-N 3.14Å; L233-F246 HydrophobicContact CD2-CE1 4.3Å; L233-F246 HydrophobicContact CD2-CE2 4.44Å; L233-F246 HydrophobicContact CD2-CZ 3.86Å
234Y93.4Very high91.9Very high25 Ų2558.2 Ų58.210%0.09830%0.301CS..THydrogen-bonded Turntrans-60.9-40-170.8-173-114.5000114.2I227 E228 P229 S231 M236 A311 E312 E315I227-Y234 HydrophobicContact CG2-CD2 4.34Å; E228-Y234 WeakPolarHBondContact O-CB 3.15Å; E228-Y234 VanDerWaalsContact O-CD2 3.31Å; E228-Y234 WeakPolarHBondContact O-CD2 3.22Å; P229-Y234 HydrophobicContact CB-CD1 4.34Å; P229-Y234 HydrophobicContact CB-CE1 4.02Å; P229-Y234 HydrophobicContact CB-CE2 4.4Å; P229-Y234 HydrophobicContact CG-CE1 4.13Å; P229-Y234 HydrophobicContact CG-CE2 3.9Å; S231-Y234 VanDerWaalsContact O-CB 3.24Å; S231-Y234 WeakPolarHBondContact O-CB 3.44Å; S231-Y234 PolarHBondContact O-N 2.92Å; Y234-M236 VanDerWaalsContact C-N 3.34Å; Y234-A311 HydrophobicContact CD2-CB 3.78Å; Y234-A311 HydrophobicContact CE2-CB 4.09Å; Y234-A311 WeakPolarHBondContact O-CB 3Å; Y234-A311 PolarHBondContact O-N 2.91Å; Y234-E312 HydrophobicContact CD1-CB 3.8Å; Y234-E312 HydrophobicContact CD1-CG 4.35Å; Y234-E312 HydrophobicContact CE1-CB 3.43Å; Y234-E312 VanDerWaalsContact CE1-CB 3.43Å; Y234-E312 HydrophobicContact CE1-CG 3.68Å; Y234-E312 PolarHBondContact O-N 3.33Å; Y234-E312 VanDerWaalsContact O-N 3.12Å; Y234-E315 WeakPolarHBondContact CE2-OE2 3.25Å; Y234-E315 PolarHBondContact OH-OE2 3.25Å
235K92.7Very high91.6Very high147 Ų14762.5 Ų62.564%0.63932%0.323SS*.THydrogen-bonded Turntrans-88.7-1.7-179.1-57.7-168.9172.8177.70113.5L233 S310 E312L233-K235 VanDerWaalsContact C-N 3.34Å; L233-K235 PolarHBondContact O-N 3.03Å; K235-S310 WeakPolarHBondContact O-CB 3.45Å; K235-E312 WeakPolarHBondContact CG-OE2 3.46Å
236M92.1Very high91.4Very high35 Ų3562.7 Ų62.717%0.17232%0.324CS..  trans-86121.1-172-177.5166.4-95.800111.3L233 Y234 D240 L241 A244 F246 S310L233-M236 HydrophobicContact CD2-SD 3.84Å; L233-M236 WeakPolarHBondContact O-CB 3.48Å; L233-M236 PolarHBondContact O-N 3.45Å; L233-M236 VanDerWaalsContact O-N 3.14Å; Y234-M236 VanDerWaalsContact C-N 3.34Å; M236-D240 HydrophobicContact CE-CB 4.43Å; M236-D240 HydrophobicContact CG-CB 3.97Å; M236-L241 HydrophobicContact CG-CB 4.08Å; M236-L241 HydrophobicContact SD-CB 3.94Å; M236-L241 HydrophobicContact SD-CD1 3.67Å; M236-L241 HydrophobicContact SD-CG 4.43Å; M236-A244 HydrophobicContact CE-CB 3.34Å; M236-F246 HydrophobicContact CE-CE1 3.94Å; M236-F246 HydrophobicContact SD-CE1 3.83Å; M236-F246 HydrophobicContact SD-CZ 4.36Å; M236-S310 WeakPolarHBondContact O-CA 3.46Å
237S93.7Very high91.3Very high18 Ų1860.4 Ų60.413%0.12632%0.316CS..  trans-86.5174.816973.90000112.1E239 D240 L241S237-E239 VanDerWaalsContact C-N 3.25Å; S237-E239 PolarHBondContact O-N 3.41Å; S237-E239 PolarHBondContact OG-N 2.88Å; S237-D240 WeakPolarHBondContact CB-OD2 3.5Å; S237-D240 PolarHBondContact N-OD2 2.94Å; S237-D240 VanDerWaalsContact N-OD2 3.13Å; S237-D240 PolarHBondContact O-N 3.18Å; S237-D240 PolarHBondContact OG-N 3.42Å; S237-D240 PolarHBondContact OG-OD2 3.45Å; S237-L241 WeakPolarHBondContact O-CB 3.15Å; S237-L241 PolarHBondContact O-N 3.11Å
238L92.3Very high91.3Very high24 Ų2460.3 Ų60.313%0.12632%0.316CS..Hα-helixtrans-59.7-36.7172.3178.355.7000112.6R242 W276 V308L238-R242 WeakPolarHBondContact O-CG 3.23Å; L238-R242 PolarHBondContact O-N 2.91Å; L238-R242 VanDerWaalsContact O-N 3.17Å; L238-W276 HydrophobicContact CB-CD2 4.26Å; L238-W276 HydrophobicContact CB-CG 4.4Å; L238-W276 HydrophobicContact CD1-CB 3.42Å; L238-W276 VanDerWaalsContact CD1-CB 3.42Å; L238-W276 HydrophobicContact CD1-CD2 4.12Å; L238-W276 HydrophobicContact CD1-CE3 4.41Å; L238-W276 HydrophobicContact CD1-CG 3.7Å; L238-W276 HydrophobicContact CG-CG 4.43Å; L238-V308 HydrophobicContact CB-CG1 3.59Å; L238-V308 HydrophobicContact CD2-CG1 3.65Å; L238-V308 HydrophobicContact CD2-CG2 4.5Å; L238-V308 HydrophobicContact CG-CG1 4.18Å; L238-V308 PolarHBondContact N-O 3Å
239E91.8Very high91.5Very high121 Ų12157.4 Ų57.457%0.56530%0.303SS*.Hα-helixtrans-69.7-39.8-179.9-64.1-168.4-178.600111.3S237 R242 K243S237-E239 VanDerWaalsContact C-N 3.25Å; S237-E239 PolarHBondContact O-N 3.41Å; S237-E239 PolarHBondContact OG-N 2.88Å; E239-R242 PolarHBondContact O-N 2.92Å; E239-K243 WeakPolarHBondContact O-CG 3.45Å; E239-K243 PolarHBondContact O-N 3.43Å
240D91.6Very high91.8Very high69 Ų6953.1 Ų53.137%0.36928%0.275SS..Hα-helixtrans-68.3-42.9176.7-57.7-43000110.6M236 S237 R242 K243 A244M236-D240 HydrophobicContact CE-CB 4.43Å; M236-D240 HydrophobicContact CG-CB 3.97Å; S237-D240 WeakPolarHBondContact CB-OD2 3.5Å; S237-D240 PolarHBondContact N-OD2 2.94Å; S237-D240 VanDerWaalsContact N-OD2 3.13Å; S237-D240 PolarHBondContact O-N 3.18Å; S237-D240 PolarHBondContact OG-N 3.42Å; S237-D240 PolarHBondContact OG-OD2 3.45Å; D240-R242 VanDerWaalsContact C-N 3.27Å; D240-R242 PolarHBondContact O-N 3.47Å; D240-K243 CarbonylContact O-C 3.54Å; D240-K243 PolarHBondContact O-N 2.63Å; D240-A244 WeakPolarHBondContact O-CB 3.26Å; D240-A244 PolarHBondContact O-N 2.9Å
241L91.2Very high92.1Very high6 Ų650.1 Ų50.13%0.03124%0.241CC..Hα-helixtrans-53.6-47.8175-17964.9000110.1I160 M236 S237 K243 A244 F246 V271 I274 W276I160-L241 HydrophobicContact CD1-CD2 4.03Å; M236-L241 HydrophobicContact CG-CB 4.08Å; M236-L241 HydrophobicContact SD-CB 3.94Å; M236-L241 HydrophobicContact SD-CD1 3.67Å; M236-L241 HydrophobicContact SD-CG 4.43Å; S237-L241 WeakPolarHBondContact O-CB 3.15Å; S237-L241 PolarHBondContact O-N 3.11Å; L241-K243 PolarHBondContact O-N 3.36Å; L241-A244 WeakPolarHBondContact O-CB 3.42Å; L241-A244 PolarHBondContact O-N 3.19Å; L241-F246 HydrophobicContact CD1-CE1 3.82Å; L241-F246 HydrophobicContact CD1-CZ 3.7Å; L241-V271 HydrophobicContact CD1-CG1 4.22Å; L241-V271 HydrophobicContact CG-CG1 4.22Å; L241-V271 WeakPolarHBondContact O-CG1 3.37Å; L241-I274 HydrophobicContact CD2-CG2 4.19Å; L241-W276 HydrophobicContact CD2-CE3 3.79Å; L241-W276 HydrophobicContact CD2-CZ3 4.4Å
242R89.8Confident92.1Very high184 Ų18449.5 Ų49.569%0.69424%0.237SC*.Hα-helixtrans-63-25.7179.2-73.3173.6178.71701.7114.5L238 E239 D240L238-R242 WeakPolarHBondContact O-CG 3.23Å; L238-R242 PolarHBondContact O-N 2.91Å; L238-R242 VanDerWaalsContact O-N 3.17Å; E239-R242 PolarHBondContact O-N 2.92Å; D240-R242 VanDerWaalsContact C-N 3.27Å; D240-R242 PolarHBondContact O-N 3.47Å
243K90Very high92.2Very high162 Ų16248.8 Ų48.870%0.70423%0.232SC*.Hα-helixtrans-93.7-18179-67.8172.1-172.81650112.5E239 D240 L241E239-K243 WeakPolarHBondContact O-CG 3.45Å; E239-K243 PolarHBondContact O-N 3.43Å; D240-K243 CarbonylContact O-C 3.54Å; D240-K243 PolarHBondContact O-N 2.63Å; L241-K243 PolarHBondContact O-N 3.36Å
244A88.4Confident92Very high21 Ų2148.7 Ų48.717%0.17423%0.231CC..  trans-68.2156.5-173.900000112.7M236 D240 L241 F246M236-A244 HydrophobicContact CE-CB 3.34Å; D240-A244 WeakPolarHBondContact O-CB 3.26Å; D240-A244 PolarHBondContact O-N 2.9Å; L241-A244 WeakPolarHBondContact O-CB 3.42Å; L241-A244 PolarHBondContact O-N 3.19Å; A244-F246 HydrophobicContact CB-CD1 3.75Å; A244-F246 HydrophobicContact CB-CE1 3.84Å
245D87.9Confident91.6Very high96 Ų9650.5 Ų50.551%0.51324%0.244SC..  trans-127.885.2177.4-153.76.4000109.6K4K4-D245 IonicContact NZ-OD1 2.94Å; K4-D245 PolarHBondContact NZ-OD1 3.18Å; K4-D245 IonicContact NZ-OD2 3.29Å; K4-D245 PolarHBondContact NZ-OD2 2.84Å
246F91.7Very high91Very high8 Ų844.2 Ų44.24%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-146.6160.5174.772.8-93.5000111I190 L191 L233 M236 L241 A244 V271 I274I190-F246 HydrophobicContact CD1-CD2 4.37Å; I190-F246 HydrophobicContact CD1-CE2 4.25Å; I190-F246 HydrophobicContact CG1-CD2 4.17Å; I190-F246 HydrophobicContact CG1-CE2 4.32Å; I190-F246 HydrophobicContact CG2-CB 3.84Å; I190-F246 HydrophobicContact CG2-CD2 3.79Å; I190-F246 HydrophobicContact CG2-CG 3.99Å; L191-F246 VanDerWaalsContact O-CA 3.3Å; L191-F246 WeakPolarHBondContact O-CA 3.27Å; L191-F246 WeakPolarHBondContact O-CB 3.31Å; L233-F246 HydrophobicContact CD2-CE1 4.3Å; L233-F246 HydrophobicContact CD2-CE2 4.44Å; L233-F246 HydrophobicContact CD2-CZ 3.86Å; M236-F246 HydrophobicContact CE-CE1 3.94Å; M236-F246 HydrophobicContact SD-CE1 3.83Å; M236-F246 HydrophobicContact SD-CZ 4.36Å; L241-F246 HydrophobicContact CD1-CE1 3.82Å; L241-F246 HydrophobicContact CD1-CZ 3.7Å; A244-F246 HydrophobicContact CB-CD1 3.75Å; A244-F246 HydrophobicContact CB-CE1 3.84Å; F246-V271 HydrophobicContact CD1-CG2 4.02Å; F246-V271 HydrophobicContact CE1-CG2 4Å; F246-V271 HydrophobicContact CG-CG2 4.42Å; F246-V271 HydrophobicContact CZ-CG2 4.39Å; F246-V271 WeakPolarHBondContact O-CG2 3.5Å; F246-I274 HydrophobicContact CE2-CD1 3.86Å; F246-I274 HydrophobicContact CZ-CD1 4Å
247E93.4Very high90.1Very high20 Ų2048.2 Ų48.29%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-117.8132.3170.1-55.4-164.4145.800109.7R6 Y7 L191 L249 T270R6-E247 WeakPolarHBondContact CA-OE1 3.32Å; R6-E247 WeakPolarHBondContact CB-OE1 3.48Å; R6-E247 WeakPolarHBondContact CG-OE1 3.37Å; Y7-E247 WeakPolarHBondContact CB-OE2 3.44Å; Y7-E247 PolarHBondContact N-OE2 3.31Å; L191-E247 HydrophobicContact CB-CB 4.26Å; L191-E247 WeakPolarHBondContact CB-O 3.21Å; L191-E247 HydrophobicContact CD2-CB 4.49Å; L191-E247 PolarHBondContact N-O 3.44Å; L191-E247 PolarHBondContact O-N 2.98Å; E247-L249 PolarHBondContact O-N 2.92Å; E247-T270 HydrophobicContact CG-CG2 4.35Å
248L94.8Very high89.2Confident1 Ų150.7 Ų50.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-84.9108.9170.2173.972.3000108.4A158 L169 W171 I190 L208 V250 S268 Y269 I274A158-L248 HydrophobicContact CB-CD2 4.44Å; L169-L248 HydrophobicContact CD2-CD1 4.19Å; L169-L248 HydrophobicContact CD2-CD2 3.82Å; L169-L248 HydrophobicContact CG-CD2 4.45Å; W171-L248 HydrophobicContact CE3-CD2 4.39Å; I190-L248 HydrophobicContact CG1-CD1 4.31Å; L208-L248 HydrophobicContact CD2-CD1 3.93Å; L248-V250 HydrophobicContact CD1-CG1 4.4Å; L248-V250 HydrophobicContact CD2-CG1 4.13Å; L248-V250 HydrophobicContact CG-CG1 3.94Å; L248-S268 CarbonylContact O-C 3.58Å; L248-S268 VanDerWaalsContact O-CA 3.26Å; L248-S268 WeakPolarHBondContact O-CA 3.27Å; L248-Y269 HydrophobicContact CD2-CD2 3.87Å; L248-Y269 HydrophobicContact CD2-CG 4.45Å; L248-Y269 HydrophobicContact CG-CD2 4.34Å; L248-Y269 PolarHBondContact N-O 3.26Å; L248-Y269 PolarHBondContact O-N 3.01Å; L248-I274 HydrophobicContact CB-CD1 4.48Å
249L94.9Very high88.4Confident23 Ų2351.9 Ų51.912%0.1227%0.267CS..EExtended strand (participates in β ladder)trans-88.1123.9172.1-176.964.9000109.1V8 A188 Q189 E247V8-L249 HydrophobicContact CB-CD1 4.06Å; V8-L249 HydrophobicContact CG1-CD1 4.04Å; V8-L249 HydrophobicContact CG2-CD1 3.86Å; A188-L249 CarbonylContact C-O 3.58Å; A188-L249 WeakPolarHBondContact CA-O 3.22Å; Q189-L249 PolarHBondContact N-O 3.38Å; Q189-L249 PolarHBondContact O-N 2.94Å; E247-L249 PolarHBondContact O-N 2.92Å
250V94.9Very high87.7Confident0 Ų048.8 Ų48.80%027%0.268CS..EExtended strand (participates in β ladder)trans-120143.5172-53.60000109.8F154 W171 C187 A188 L248 R266 T267 Y269F154-V250 HydrophobicContact CD1-CG2 3.92Å; F154-V250 HydrophobicContact CE1-CG2 3.9Å; F154-V250 HydrophobicContact CZ-CG2 4.49Å; W171-V250 HydrophobicContact CD2-CG1 3.95Å; W171-V250 HydrophobicContact CE3-CG1 4.34Å; W171-V250 HydrophobicContact CH2-CG1 4.16Å; W171-V250 HydrophobicContact CZ2-CB 4.24Å; W171-V250 HydrophobicContact CZ2-CG1 3.73Å; W171-V250 HydrophobicContact CZ3-CG1 4.44Å; C187-V250 WeakPolarHBondContact O-CA 3.49Å; A188-V250 HydrophobicContact CB-CG1 4.13Å; L248-V250 HydrophobicContact CD1-CG1 4.4Å; L248-V250 HydrophobicContact CD2-CG1 4.13Å; L248-V250 HydrophobicContact CG-CG1 3.94Å; V250-R266 WeakPolarHBondContact O-CA 3.49Å; V250-T267 HydrophobicContact CG2-CG2 3.36Å; V250-T267 PolarHBondContact N-O 3.21Å; V250-T267 PolarHBondContact O-N 3.25Å; V250-T267 VanDerWaalsContact O-O 3.14Å; V250-Y269 HydrophobicContact CG1-CD2 4.4Å; V250-Y269 HydrophobicContact CG1-CE2 4.19Å; V250-Y269 HydrophobicContact CG2-CD2 4.43Å; V250-Y269 HydrophobicContact CG2-CE2 3.72Å
251S93.8Very high87.2Confident17 Ų1748.3 Ų48.312%0.11927%0.265CS..EExtended strand (participates in β ladder)trans-138.5150.1176.665.90000111S186 C187 S265S186-S251 WeakPolarHBondContact CA-O 3.32Å; C187-S251 PolarHBondContact N-O 2.95Å; C187-S251 PolarHBondContact O-N 2.87Å; S251-S265 CarbonylContact C-O 3.56Å; S251-S265 VanDerWaalsContact CA-O 3.25Å; S251-S265 WeakPolarHBondContact CA-O 3.41Å
252F93.1Very high86.9Confident0 Ų053.5 Ų53.50%029%0.292CS..EExtended strand (participates in β ladder)trans-131.8118.8174.2-174.4-111.2000108.4I152 F154 I173 V182 S185 Y254 Q264 S265I152-F252 HydrophobicContact CG2-CD1 4.07Å; F154-F252 HydrophobicContact CE1-CB 4.31Å; F154-F252 HydrophobicContact CZ-CB 3.97Å; I173-F252 HydrophobicContact CD1-CB 3.36Å; I173-F252 HydrophobicContact CD1-CD1 3.51Å; I173-F252 HydrophobicContact CD1-CD2 3.63Å; I173-F252 HydrophobicContact CD1-CE1 4.14Å; I173-F252 HydrophobicContact CD1-CE2 4.26Å; I173-F252 HydrophobicContact CD1-CG 3.21Å; I173-F252 HydrophobicContact CD1-CZ 4.48Å; V182-F252 HydrophobicContact CG1-CE1 4.12Å; S185-F252 WeakPolarHBondContact O-CA 3.47Å; F252-Y254 AromaticContact CD1-CD1 3.67Å; F252-Y254 HydrophobicContact CD1-CD1 3.67Å; F252-Y254 HydrophobicContact CD1-CG 4.24Å; F252-Y254 AromaticContact CE1-CD1 3.96Å; F252-Y254 HydrophobicContact CE1-CD1 3.96Å; F252-Y254 HydrophobicContact CE1-CG 4.07Å; F252-Q264 WeakPolarHBondContact O-CA 3.26Å; F252-S265 PolarHBondContact N-O 2.93Å; F252-S265 PolarHBondContact O-N 3.01Å
253T91.9Very high86.6Confident35 Ų3545.9 Ų45.922%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-104.6124.6180-58.40000107.9G184 S185 L262 H263 Q264G184-T253 CarbonylContact C-O 3.45Å; G184-T253 WeakPolarHBondContact CA-O 3.33Å; S185-T253 PolarHBondContact N-O 2.94Å; S185-T253 PolarHBondContact O-N 3.28Å; T253-L262 HydrophobicContact CG2-CD1 3.56Å; T253-L262 HydrophobicContact CG2-CD2 3.83Å; T253-L262 HydrophobicContact CG2-CG 3.71Å; T253-H263 CarbonylContact C-O 3.57Å; T253-H263 WeakPolarHBondContact CA-O 3.38Å; T253-Q264 WeakPolarHBondContact OG1-CG 3.31Å
254Y88.9Confident86.6Confident11 Ų1142.2 Ų42.24%0.04325%0.25CC..EExtended strand (participates in β ladder)trans-146156.8-175.567.6-85.6000111.7I152 V182 E183 F252 H263I152-Y254 HydrophobicContact CB-CE1 4.17Å; I152-Y254 HydrophobicContact CG1-CD1 4.08Å; I152-Y254 HydrophobicContact CG1-CE1 3.5Å; I152-Y254 VanDerWaalsContact CG1-CE1 3.5Å; I152-Y254 HydrophobicContact CG1-CE2 4.16Å; V182-Y254 HydrophobicContact CG1-CD1 4.5Å; V182-Y254 HydrophobicContact CG1-CD2 3.32Å; V182-Y254 HydrophobicContact CG1-CE2 4.24Å; V182-Y254 HydrophobicContact CG1-CG 3.47Å; V182-Y254 VanDerWaalsContact CG1-CG 3.47Å; E183-Y254 WeakPolarHBondContact O-CB 3.46Å; F252-Y254 AromaticContact CD1-CD1 3.67Å; F252-Y254 HydrophobicContact CD1-CD1 3.67Å; F252-Y254 HydrophobicContact CD1-CG 4.24Å; F252-Y254 AromaticContact CE1-CD1 3.96Å; F252-Y254 HydrophobicContact CE1-CD1 3.96Å; F252-Y254 HydrophobicContact CE1-CG 4.07Å; Y254-H263 HydrophobicContact CD1-CB 4.2Å; Y254-H263 HydrophobicContact CD2-CB 4.26Å; Y254-H263 HydrophobicContact CE1-CB 3.75Å; Y254-H263 HydrophobicContact CE2-CB 3.82Å; Y254-H263 HydrophobicContact CG-CB 4.45Å; Y254-H263 PolarHBondContact N-O 3.17Å; Y254-H263 PolarHBondContact O-N 3.14Å; Y254-H263 VanDerWaalsContact O-O 3.11Å
255T85.4Confident86.6Confident63 Ų6341.5 Ų41.539%0.38724%0.243SC..EExtended strand (participates in β ladder)trans-99.6134175.6-53.50000109
256D78.8Confident86.8Confident14 Ų1442 Ų428%0.07524%0.238CC..  trans-82.1120.6173.7171.268.3000110.1H180 S258 S259 G260 I261H180-D256 IonicContact NE2-OD1 2.68Å; D256-S258 PolarHBondContact O-N 3.32Å; D256-S258 VanDerWaalsContact O-N 3.08Å; D256-S258 PolarHBondContact OD2-OG 3.47Å; D256-S259 WeakPolarHBondContact CB-OG 3.47Å; D256-S259 PolarHBondContact O-N 3.3Å; D256-S259 WeakPolarHBondContact OD2-CB 3.45Å; D256-S259 PolarHBondContact OD2-N 3.23Å; D256-S259 VanDerWaalsContact OD2-N 3.11Å; D256-S259 PolarHBondContact OD2-OG 3.37Å; D256-G260 WeakPolarHBondContact O-CA 3.29Å; D256-G260 PolarHBondContact O-N 2.87Å; D256-I261 PolarHBondContact N-O 3.34Å; D256-I261 VanDerWaalsContact N-O 3.1Å
257D74.6Confident86.9Confident119 Ų11941.8 Ų41.864%0.63624%0.237SC*.THydrogen-bonded Turntrans-53.6-34.5-176.3-74.5-11.7000113.2
258S73.5Confident87Confident70 Ų7040.9 Ų40.949%0.4923%0.233SC..THydrogen-bonded Turntrans-84.6-20.2-173.272.50000114.7R146 D256R146-S258 PolarHBondContact NH1-OG 2.64Å; R146-S258 PolarHBondContact NH2-OG 2.75Å; D256-S258 PolarHBondContact O-N 3.32Å; D256-S258 VanDerWaalsContact O-N 3.08Å; D256-S258 PolarHBondContact OD2-OG 3.47Å
259S75.1Confident87Confident49 Ų4940.8 Ų40.834%0.34323%0.233SC..THydrogen-bonded Turntrans-119-17.2-17860.60000113.5D256 I261D256-S259 WeakPolarHBondContact CB-OG 3.47Å; D256-S259 PolarHBondContact O-N 3.3Å; D256-S259 WeakPolarHBondContact OD2-CB 3.45Å; D256-S259 PolarHBondContact OD2-N 3.23Å; D256-S259 VanDerWaalsContact OD2-N 3.11Å; D256-S259 PolarHBondContact OD2-OG 3.37Å; S259-I261 PolarHBondContact O-N 2.92Å; S259-I261 VanDerWaalsContact O-N 3.17Å; S259-I261 PolarHBondContact OG-N 2.98Å
260G78Confident86.9Confident57 Ų5740.5 Ų40.559%0.58823%0.232SC*.  trans65.58.1-172.500000113.5D256D256-G260 WeakPolarHBondContact O-CA 3.29Å; D256-G260 PolarHBondContact O-N 2.87Å
261I81.2Confident86.8Confident59 Ų5941.4 Ų41.430%0.30324%0.238SC..  trans-83.8137-177.8-63.1173.7000109D256 S259 H263D256-I261 PolarHBondContact N-O 3.34Å; D256-I261 VanDerWaalsContact N-O 3.1Å; S259-I261 PolarHBondContact O-N 2.92Å; S259-I261 VanDerWaalsContact O-N 3.17Å; S259-I261 PolarHBondContact OG-N 2.98Å; I261-H263 PolarHBondContact O-CD2 2.87Å; I261-H263 PolarHBondContact O-N 3.39Å
262L84.3Confident86.7Confident114 Ų11446.1 Ų46.160%0.59726%0.261SS*.EExtended strand (participates in β ladder)trans-75.2120.9171.9-166.169000110.2T253T253-L262 HydrophobicContact CG2-CD1 3.56Å; T253-L262 HydrophobicContact CG2-CD2 3.83Å; T253-L262 HydrophobicContact CG2-CG 3.71Å
263H85Confident86.8Confident25 Ų2547 Ų4712%0.11627%0.266CS..EExtended strand (participates in β ladder)trans-107.7148.5174.1-69.6-90.1000110.5T253 Y254 I261T253-H263 CarbonylContact C-O 3.57Å; T253-H263 WeakPolarHBondContact CA-O 3.38Å; Y254-H263 HydrophobicContact CD1-CB 4.2Å; Y254-H263 HydrophobicContact CD2-CB 4.26Å; Y254-H263 HydrophobicContact CE1-CB 3.75Å; Y254-H263 HydrophobicContact CE2-CB 3.82Å; Y254-H263 HydrophobicContact CG-CB 4.45Å; Y254-H263 PolarHBondContact N-O 3.17Å; Y254-H263 PolarHBondContact O-N 3.14Å; Y254-H263 VanDerWaalsContact O-O 3.11Å; I261-H263 PolarHBondContact O-CD2 2.87Å; I261-H263 PolarHBondContact O-N 3.39Å
264Q88.4Confident87Confident85 Ų8546 Ų4640%0.39726%0.259SS..EExtended strand (participates in β ladder)trans-131.7118.9172.7-168.4177.222.700110.1F252 T253 R266F252-Q264 WeakPolarHBondContact O-CA 3.26Å; T253-Q264 WeakPolarHBondContact OG1-CG 3.31Å; Q264-R266 VanDerWaalsContact CD-NE 3.29Å; Q264-R266 HydrophobicContact CG-CG 4.13Å; Q264-R266 VanDerWaalsContact OE1-CZ 3.3Å
265S89.9Confident87.3Confident5 Ų547.2 Ų47.24%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-100.1136.5172.4-67.20000109.3S251 F252S251-S265 CarbonylContact C-O 3.56Å; S251-S265 VanDerWaalsContact CA-O 3.25Å; S251-S265 WeakPolarHBondContact CA-O 3.41Å; F252-S265 PolarHBondContact N-O 2.93Å; F252-S265 PolarHBondContact O-N 3.01Å
266R91.9Very high87.8Confident106 Ų10645.8 Ų45.840%0.425%0.253SS..EExtended strand (participates in β ladder)trans-133.1147.3-176.1-54.6-177.8-174.5151.2-1.8109.9G12 V250 Q264G12-R266 WeakPolarHBondContact CA-O 3.4Å; G12-R266 PolarHBondContact N-O 3.09Å; V250-R266 WeakPolarHBondContact O-CA 3.49Å; Q264-R266 VanDerWaalsContact CD-NE 3.29Å; Q264-R266 HydrophobicContact CG-CG 4.13Å; Q264-R266 VanDerWaalsContact OE1-CZ 3.3Å
267T93.6Very high88.5Confident4 Ų445.6 Ų45.63%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-149.3161.7168.5-159.70000110.1K10 F154 V250 Y269K10-T267 WeakPolarHBondContact CA-OG1 3.35Å; K10-T267 PolarHBondContact O-OG1 3.25Å; F154-T267 HydrophobicContact CB-CG2 3.54Å; F154-T267 HydrophobicContact CD1-CG2 4.01Å; F154-T267 HydrophobicContact CD2-CG2 3.6Å; F154-T267 HydrophobicContact CE2-CG2 4.27Å; F154-T267 HydrophobicContact CG-CG2 3.44Å; F154-T267 VanDerWaalsContact CG-CG2 3.44Å; V250-T267 HydrophobicContact CG2-CG2 3.36Å; V250-T267 PolarHBondContact N-O 3.21Å; V250-T267 PolarHBondContact O-N 3.25Å; V250-T267 VanDerWaalsContact O-O 3.14Å; T267-Y269 HydrophobicContact CG2-CE2 3.79Å
268S94.4Very high89.6Confident1 Ų141.4 Ų41.41%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-117.8149.7175.265.50000111.1V8 K10 L248V8-S268 WeakPolarHBondContact O-CB 3.08Å; V8-S268 PolarHBondContact O-OG 2.84Å; K10-S268 WeakPolarHBondContact CD-O 3.41Å; K10-S268 WeakPolarHBondContact CE-O 3.31Å; K10-S268 PolarHBondContact NZ-O 3.47Å; L248-S268 CarbonylContact O-C 3.58Å; L248-S268 VanDerWaalsContact O-CA 3.26Å; L248-S268 WeakPolarHBondContact O-CA 3.27Å
269Y95.2Very high90.6Very high0 Ų042.1 Ų42.10%023%0.229CC..EExtended strand (participates in β ladder)trans-119.4118.4166.6-56.6-93.6000109.1S155 R157 A158 W171 L248 V250 T267 E273S155-Y269 WeakPolarHBondContact O-CE1 3.49Å; S155-Y269 PolarHBondContact O-OH 2.8Å; S155-Y269 PolarHBondContact OG-OH 3.1Å; S155-Y269 VanDerWaalsContact OG-OH 3.1Å; R157-Y269 VanDerWaalsContact C-CE1 3.46Å; A158-Y269 HydrophobicContact CB-CD1 3.94Å; A158-Y269 HydrophobicContact CB-CD2 4.4Å; A158-Y269 HydrophobicContact CB-CE1 4.22Å; A158-Y269 HydrophobicContact CB-CG 4.05Å; W171-Y269 HydrophobicContact CB-CE2 4.16Å; W171-Y269 HydrophobicContact CG-CE2 4.34Å; L248-Y269 HydrophobicContact CD2-CD2 3.87Å; L248-Y269 HydrophobicContact CD2-CG 4.45Å; L248-Y269 HydrophobicContact CG-CD2 4.34Å; L248-Y269 PolarHBondContact N-O 3.26Å; L248-Y269 PolarHBondContact O-N 3.01Å; V250-Y269 HydrophobicContact CG1-CD2 4.4Å; V250-Y269 HydrophobicContact CG1-CE2 4.19Å; V250-Y269 HydrophobicContact CG2-CD2 4.43Å; V250-Y269 HydrophobicContact CG2-CE2 3.72Å; T267-Y269 HydrophobicContact CG2-CE2 3.79Å; Y269-E273 WeakPolarHBondContact CA-OE2 3.34Å; Y269-E273 HydrophobicContact CD1-CB 4.34Å
270T93.4Very high91.6Very high17 Ų1740.3 Ų40.310%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-73.2159.9166.852.80000109.8R6 E247 D272 E273 I274R6-T270 HydrophobicContact CG-CG2 3.87Å; R6-T270 PolarHBondContact NH2-OG1 3.41Å; E247-T270 HydrophobicContact CG-CG2 4.35Å; T270-D272 PolarHBondContact O-N 3.07Å; T270-D272 VanDerWaalsContact O-N 3.11Å; T270-E273 PolarHBondContact N-OE2 3.26Å; T270-E273 VanDerWaalsContact N-OE2 3.09Å; T270-E273 WeakPolarHBondContact O-CA 3.32Å; T270-E273 WeakPolarHBondContact O-CB 3.33Å; T270-E273 PolarHBondContact O-N 2.82Å; T270-E273 PolarHBondContact OG1-OE2 3.21Å; T270-I274 PolarHBondContact O-N 3.04Å
271V92.4Very high92.3Very high19 Ų1941.9 Ų41.912%0.11521%0.207CC..G310 helixtrans-43.9-45.9173175.80000113.7L241 F246 E273 I274L241-V271 HydrophobicContact CD1-CG1 4.22Å; L241-V271 HydrophobicContact CG-CG1 4.22Å; L241-V271 WeakPolarHBondContact O-CG1 3.37Å; F246-V271 HydrophobicContact CD1-CG2 4.02Å; F246-V271 HydrophobicContact CE1-CG2 4Å; F246-V271 HydrophobicContact CG-CG2 4.42Å; F246-V271 HydrophobicContact CZ-CG2 4.39Å; F246-V271 WeakPolarHBondContact O-CG2 3.5Å; V271-E273 PolarHBondContact O-N 3.26Å; V271-E273 VanDerWaalsContact O-N 3.07Å; V271-I274 PolarHBondContact O-N 2.75Å
272D91.9Very high92.8Very high115 Ų11546.1 Ų46.162%0.61523%0.225SC*.G310 helixtrans-63.1-16.1179-71.6-39.6000113.9R157 T270R157-D272 PolarHBondContact NH1-O 2.93Å; T270-D272 PolarHBondContact O-N 3.07Å; T270-D272 VanDerWaalsContact O-N 3.11Å
273E94.5Very high93.1Very high20 Ų2040.9 Ų40.99%0.09320%0.198CC..G310 helixtrans-97.7-4.2178.7-64.2174.315400113.6R6 K10 R157 A158 Y269 T270 V271R6-E273 IonicContact CZ-OE1 2.81Å; R6-E273 IonicContact CZ-OE2 3.26Å; R6-E273 IonicContact NH1-OE1 3.16Å; R6-E273 PolarHBondContact NH1-OE1 3.31Å; R6-E273 IonicContact NH1-OE2 3.98Å; R6-E273 PolarHBondContact NH1-OE2 3.23Å; R6-E273 IonicContact NH2-OE1 2.9Å; R6-E273 PolarHBondContact NH2-OE1 3.18Å; R6-E273 IonicContact NH2-OE2 2.81Å; R6-E273 PolarHBondContact NH2-OE2 3Å; K10-E273 WeakPolarHBondContact CE-OE1 3.21Å; K10-E273 WeakPolarHBondContact CE-OE2 3.17Å; K10-E273 VanDerWaalsContact NZ-CD 3.35Å; K10-E273 IonicContact NZ-OE1 2.73Å; K10-E273 IonicContact NZ-OE2 3.53Å; K10-E273 PolarHBondContact NZ-OE2 3.01Å; R157-E273 WeakPolarHBondContact CA-O 3.44Å; R157-E273 WeakPolarHBondContact CB-O 3.48Å; R157-E273 WeakPolarHBondContact CD-O 3.34Å; A158-E273 PolarHBondContact N-O 3.49Å; Y269-E273 WeakPolarHBondContact CA-OE2 3.34Å; Y269-E273 HydrophobicContact CD1-CB 4.34Å; T270-E273 PolarHBondContact N-OE2 3.26Å; T270-E273 VanDerWaalsContact N-OE2 3.09Å; T270-E273 WeakPolarHBondContact O-CA 3.32Å; T270-E273 WeakPolarHBondContact O-CB 3.33Å; T270-E273 PolarHBondContact O-N 2.82Å; T270-E273 PolarHBondContact OG1-OE2 3.21Å; V271-E273 PolarHBondContact O-N 3.26Å; V271-E273 VanDerWaalsContact O-N 3.07Å
274I95.8Very high93.4Very high12 Ų1242.5 Ų42.56%0.06221%0.207CC..EExtended strand (participates in β ladder)trans-95.2110.5174.5-54.7176.4000107.9A158 I160 L169 L241 F246 L248 T270 V271A158-I274 HydrophobicContact CB-CG1 4.3Å; A158-I274 CarbonylContact O-C 3.53Å; A158-I274 WeakPolarHBondContact O-CA 3.49Å; I160-I274 HydrophobicContact CD1-CG2 3.63Å; I160-I274 HydrophobicContact CG1-CG2 3.88Å; L169-I274 HydrophobicContact CD1-CG2 3.81Å; L241-I274 HydrophobicContact CD2-CG2 4.19Å; F246-I274 HydrophobicContact CE2-CD1 3.86Å; F246-I274 HydrophobicContact CZ-CD1 4Å; L248-I274 HydrophobicContact CB-CD1 4.48Å; T270-I274 PolarHBondContact O-N 3.04Å; V271-I274 PolarHBondContact O-N 2.75Å
275L95.9Very high93.4Very high38 Ų3846.7 Ų46.720%0.19922%0.219CC..EExtended strand (participates in β ladder)trans-95.2111.9-176.3-57.7179.7000110.7R157 A158 V159 I160 H278R157-L275 HydrophobicContact CB-CD1 4.01Å; R157-L275 HydrophobicContact CB-CG 4.26Å; R157-L275 HydrophobicContact CG-CD1 4.08Å; R157-L275 HydrophobicContact CG-CG 4.48Å; A158-L275 PolarHBondContact O-N 3.18Å; V159-L275 CarbonylContact C-O 3.48Å; V159-L275 VanDerWaalsContact CA-O 3.31Å; V159-L275 WeakPolarHBondContact CA-O 3.23Å; V159-L275 HydrophobicContact CG1-CB 4.38Å; I160-L275 PolarHBondContact N-O 3.26Å; L275-H278 HydrophobicContact CB-CB 3.88Å
276W95.4Very high93.4Very high33 Ų3351.8 Ų51.813%0.12525%0.249CC..EExtended strand (participates in β ladder)trans-79.1136.2175.1-165.5-75.5000112.1I160 L167 L238 L241 H278 P307 V309I160-W276 HydrophobicContact CB-CD2 4.32Å; I160-W276 HydrophobicContact CB-CE3 4.14Å; I160-W276 HydrophobicContact CD1-CD2 4.49Å; I160-W276 HydrophobicContact CD1-CE3 3.53Å; I160-W276 HydrophobicContact CD1-CZ3 3.76Å; I160-W276 HydrophobicContact CG1-CE3 4.44Å; I160-W276 HydrophobicContact CG2-CD2 4.05Å; I160-W276 HydrophobicContact CG2-CE3 3.94Å; I160-W276 HydrophobicContact CG2-CH2 4.34Å; I160-W276 HydrophobicContact CG2-CZ2 4.44Å; I160-W276 HydrophobicContact CG2-CZ3 4.09Å; L167-W276 HydrophobicContact CD1-CH2 4.48Å; L167-W276 HydrophobicContact CD1-CZ2 4.22Å; L167-W276 HydrophobicContact CD2-CZ2 4.16Å; L238-W276 HydrophobicContact CB-CD2 4.26Å; L238-W276 HydrophobicContact CB-CG 4.4Å; L238-W276 HydrophobicContact CD1-CB 3.42Å; L238-W276 VanDerWaalsContact CD1-CB 3.42Å; L238-W276 HydrophobicContact CD1-CD2 4.12Å; L238-W276 HydrophobicContact CD1-CE3 4.41Å; L238-W276 HydrophobicContact CD1-CG 3.7Å; L238-W276 HydrophobicContact CG-CG 4.43Å; L241-W276 HydrophobicContact CD2-CE3 3.79Å; L241-W276 HydrophobicContact CD2-CZ3 4.4Å; W276-H278 PolarHBondContact O-CD2 2.98Å; W276-P307 PolarHBondContact NE1-O 3.49Å; W276-V309 WeakPolarHBondContact CZ2-O 3.34Å
277G94.9Very high93.2Very high9 Ų949.1 Ų49.19%0.09325%0.247CC..THydrogen-bonded Turntrans72.732.5-17900000112.6I160 K303 V304I160-G277 WeakPolarHBondContact O-CA 3.41Å; I160-G277 PolarHBondContact O-N 3.17Å; G277-K303 WeakPolarHBondContact O-CA 3.22Å; G277-V304 PolarHBondContact O-N 3.43Å; G277-V304 VanDerWaalsContact O-O 3.09Å
278H96.1Very high92.9Very high31 Ų3159.3 Ų59.314%0.14429%0.291CS..EExtended strand (participates in β ladder)trans-121.6144.2177.8-82.3-122.3000110.6V159 I160 N161 L275 W276 T301 A302 K303V159-H278 HydrophobicContact CB-CB 4.05Å; V159-H278 WeakPolarHBondContact CB-O 3.48Å; V159-H278 HydrophobicContact CG1-CB 3.84Å; V159-H278 WeakPolarHBondContact CG2-O 3.14Å; I160-H278 PolarHBondContact O-N 3.05Å; N161-H278 WeakPolarHBondContact CB-O 3.48Å; N161-H278 PolarHBondContact ND2-O 2.9Å; L275-H278 HydrophobicContact CB-CB 3.88Å; W276-H278 PolarHBondContact O-CD2 2.98Å; H278-T301 PolarHBondContact ND1-OG1 2.87Å; H278-T301 VanDerWaalsContact ND1-OG1 3.08Å; H278-A302 CarbonylContact C-O 3.55Å; H278-A302 VanDerWaalsContact CA-O 3.29Å; H278-A302 WeakPolarHBondContact CA-O 3.39Å; H278-K303 WeakPolarHBondContact NE2-CG 3.31Å
279L95.2Very high92.5Very high85 Ų8567.8 Ų67.845%0.44533%0.328SS..EExtended strand (participates in β ladder)trans-119.3143.6172-177.171.6000108.4N161 T301 A302 V304N161-L279 WeakPolarHBondContact ND2-CD1 3.15Å; L279-T301 CarbonylContact O-C 3.49Å; L279-T301 VanDerWaalsContact O-CA 3.23Å; L279-T301 WeakPolarHBondContact O-CA 3.32Å; L279-A302 PolarHBondContact N-O 3.29Å; L279-A302 PolarHBondContact O-N 2.97Å; L279-V304 HydrophobicContact CB-CG2 3.58Å; L279-V304 HydrophobicContact CD2-CG2 4.44Å
280F95.9Very high92.2Very high11 Ų1174.2 Ų74.25%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-71136171.8-81.2-66.3000111.5R157 V159 R172 T222 T301R157-F280 WeakPolarHBondContact O-CZ 3.06Å; V159-F280 HydrophobicContact CB-CE2 4.42Å; V159-F280 HydrophobicContact CG1-CD2 4.41Å; V159-F280 HydrophobicContact CG1-CE1 4.43Å; V159-F280 HydrophobicContact CG1-CE2 4.11Å; V159-F280 HydrophobicContact CG1-CZ 4.12Å; V159-F280 HydrophobicContact CG2-CD2 3.58Å; V159-F280 HydrophobicContact CG2-CE2 3.56Å; V159-F280 HydrophobicContact CG2-CG 4.41Å; V159-F280 HydrophobicContact CG2-CZ 4.38Å; R172-F280 HydrophobicContact CG-CD1 4.07Å; R172-F280 HydrophobicContact CG-CD2 4Å; R172-F280 HydrophobicContact CG-CE1 4.07Å; R172-F280 HydrophobicContact CG-CE2 3.99Å; R172-F280 HydrophobicContact CG-CG 4.04Å; R172-F280 HydrophobicContact CG-CZ 4.03Å; T222-F280 HydrophobicContact CG2-CD2 4Å; T222-F280 HydrophobicContact CG2-CE2 4.35Å; F280-T301 HydrophobicContact CD1-CG2 3.69Å; F280-T301 HydrophobicContact CE1-CG2 3.83Å; F280-T301 HydrophobicContact CG-CG2 4.45Å
281Q93.6Very high91.9Very high91 Ų9181.4 Ų81.443%0.42538%0.384SS..PPolyproline II helixtrans-74.5132.8-178.1-174.217317.600111.8R172 M283 N300R172-Q281 PolarHBondContact NH1-O 2.89Å; R172-Q281 PolarHBondContact NH2-O 3.43Å; Q281-M283 PolarHBondContact O-N 2.93Å; Q281-N300 HydrophobicContact CB-CB 4.37Å; Q281-N300 PolarHBondContact N-O 3.23Å; Q281-N300 VanDerWaalsContact N-O 3.07Å
282E90.8Very high91.8Very high147 Ų14788.7 Ų88.769%0.68741%0.41SS*.PPolyproline II helixtrans-52.6128.3177.7-74.5-59.8154.500112.4
283M91.1Very high91.7Very high4 Ų485.3 Ų85.32%0.0239%0.393CS..  trans-118-12.8-173.969.1-173.6-62.900113.9P220 Q281 V293 D294 Y295 L297 F298P220-M283 HydrophobicContact CB-CE 3.86Å; P220-M283 HydrophobicContact CB-SD 3.6Å; P220-M283 HydrophobicContact CG-CE 3.64Å; P220-M283 HydrophobicContact CG-SD 4.07Å; Q281-M283 PolarHBondContact O-N 2.93Å; M283-V293 HydrophobicContact CE-CG1 3.64Å; M283-V293 HydrophobicContact CG-CG1 4.49Å; M283-V293 WeakPolarHBondContact O-CA 3.3Å; M283-D294 WeakPolarHBondContact CE-O 3.45Å; M283-D294 PolarHBondContact O-N 2.95Å; M283-Y295 HydrophobicContact CE-CD1 4.47Å; M283-L297 HydrophobicContact CB-CB 4.09Å; M283-F298 HydrophobicContact CE-CB 4.07Å; M283-F298 HydrophobicContact CE-CD2 4.04Å; M283-F298 HydrophobicContact SD-CD2 4.26Å
284I90.8Very high91.5Very high59 Ų5987.3 Ų87.330%0.30340%0.404SS..EExtended strand (participates in β ladder)trans-98122.7179.8-54.2179.7000108T219 Y291 V293T219-I284 HydrophobicContact CG2-CD1 4.33Å; I284-Y291 HydrophobicContact CG2-CD1 4.13Å; I284-V293 HydrophobicContact CG1-CG2 4.33Å
285R88.9Confident91.2Very high174 Ų17490.4 Ų90.466%0.65742%0.415SS*.EExtended strand (participates in β ladder)trans-115.9127.4172.9-64.7-175.5-176.1173.92.5109.3R292R285-R292 PolarHBondContact N-O 3.03Å; R285-R292 PolarHBondContact O-N 3.4Å
286V89.2Confident91Very high111 Ų11194.7 Ų94.767%0.67344%0.439SS*.EExtended strand (participates in β ladder)trans-83.9121.4177.8-171.40000108.8Y291V286-Y291 HydrophobicContact CB-CE1 4.46Å; V286-Y291 HydrophobicContact CG1-CD1 4.44Å; V286-Y291 HydrophobicContact CG1-CE1 4.1Å; V286-Y291 HydrophobicContact CG2-CD1 3.94Å; V286-Y291 HydrophobicContact CG2-CE1 3.75Å
287S88.6Confident90.9Very high50 Ų5094.1 Ų94.135%0.3544%0.438SS..  trans-106164.1167.7-168.20000109.8K289 H290S287-K289 PolarHBondContact O-N 2.94Å; S287-H290 WeakPolarHBondContact CA-O 3.42Å; S287-H290 VanDerWaalsContact CB-O 3.25Å; S287-H290 WeakPolarHBondContact CB-O 3.44Å; S287-H290 PolarHBondContact N-O 3.32Å
288K86.3Confident90.8Very high219 Ų21993.8 Ų93.895%0.95243%0.434SS*.SBendtrans-56.6-25.4-175.7-66.6-173.9-179.8179.60114.2
289K87.7Confident90.8Very high178 Ų17895.3 Ų95.377%0.77444%0.443SS*.SBendtrans-116.6-27.7-178.3-67.4-173.8176.5-177.50114.5S287S287-K289 PolarHBondContact O-N 2.94Å
290H87.2Confident90.8Very high135 Ų13594.6 Ų94.663%0.62544%0.44SS*.  trans-147.8153.3-170.6-52.6-56.3000111.9S287S287-H290 WeakPolarHBondContact CA-O 3.42Å; S287-H290 VanDerWaalsContact CB-O 3.25Å; S287-H290 WeakPolarHBondContact CB-O 3.44Å; S287-H290 PolarHBondContact N-O 3.32Å
291Y88.4Confident90.8Very high169 Ų16996.1 Ų96.166%0.66345%0.45SS*.EExtended strand (participates in β ladder)trans-81.8128.3166.6-64.1-87.5000109.4I284 V286I284-Y291 HydrophobicContact CG2-CD1 4.13Å; V286-Y291 HydrophobicContact CB-CE1 4.46Å; V286-Y291 HydrophobicContact CG1-CD1 4.44Å; V286-Y291 HydrophobicContact CG1-CE1 4.1Å; V286-Y291 HydrophobicContact CG2-CD1 3.94Å; V286-Y291 HydrophobicContact CG2-CE1 3.75Å
292R88.9Confident90.8Very high172 Ų17294 Ų9465%0.64945%0.449SS*.EExtended strand (participates in β ladder)trans-105.5126.7175.2-68.7-178.3178.5161.7-2.1109R285R285-R292 PolarHBondContact N-O 3.03Å; R285-R292 PolarHBondContact O-N 3.4Å
293V90.6Very high91Very high43 Ų4395.6 Ų95.626%0.26145%0.453SS..EExtended strand (participates in β ladder)trans-114.5119.4179.9-177.60000108.6T219 P220 M283 I284 Y295T219-V293 HydrophobicContact CG2-CG2 3.9Å; P220-V293 HydrophobicContact CG-CG1 3.99Å; M283-V293 HydrophobicContact CE-CG1 3.64Å; M283-V293 HydrophobicContact CG-CG1 4.49Å; M283-V293 WeakPolarHBondContact O-CA 3.3Å; I284-V293 HydrophobicContact CG1-CG2 4.33Å; V293-Y295 HydrophobicContact CB-CE2 4.24Å; V293-Y295 HydrophobicContact CG1-CD2 4.05Å; V293-Y295 HydrophobicContact CG1-CE2 3.69Å
294D90.9Very high91.2Very high62 Ų6298.6 Ų98.633%0.33247%0.471SS..  trans-98.4103177.3-171.6-6.3000111.2M283 N296 L297M283-D294 WeakPolarHBondContact CE-O 3.45Å; M283-D294 PolarHBondContact O-N 2.95Å; D294-N296 PolarHBondContact O-N 2.92Å; D294-N296 VanDerWaalsContact OD1-CB 3.24Å; D294-N296 WeakPolarHBondContact OD1-CB 3.44Å; D294-N296 PolarHBondContact OD1-N 3.14Å; D294-N296 PolarHBondContact OD1-ND2 3.49Å; D294-L297 HydrophobicContact CB-CD1 4.33Å; D294-L297 HydrophobicContact CB-CG 4.38Å; D294-L297 PolarHBondContact O-N 3.31Å
295Y89.8Confident91.2Very high77 Ų77104.3 Ų104.330%0.30250%0.502SS..G310 helixtrans-70.8-12.8179.6-77-97.6000113.8D175 F176 P220 M283 V293 L297 F298D175-Y295 WeakPolarHBondContact O-CE1 3.43Å; D175-Y295 VanDerWaalsContact O-CZ 3.3Å; D175-Y295 PolarHBondContact O-OH 3.4Å; F176-Y295 AromaticContact CD1-CD1 3.64Å; F176-Y295 HydrophobicContact CD1-CD1 3.64Å; F176-Y295 AromaticContact CD1-CE1 3.77Å; F176-Y295 HydrophobicContact CD1-CE1 3.77Å; F176-Y295 AromaticContact CE1-CD1 3.65Å; F176-Y295 HydrophobicContact CE1-CD1 3.65Å; F176-Y295 HydrophobicContact CE1-CE1 4.06Å; P220-Y295 HydrophobicContact CG-CD1 4.32Å; P220-Y295 HydrophobicContact CG-CE1 3.54Å; P220-Y295 HydrophobicContact CG-CE2 4.41Å; M283-Y295 HydrophobicContact CE-CD1 4.47Å; V293-Y295 HydrophobicContact CB-CE2 4.24Å; V293-Y295 HydrophobicContact CG1-CD2 4.05Å; V293-Y295 HydrophobicContact CG1-CE2 3.69Å; Y295-L297 PolarHBondContact O-N 2.97Å; Y295-F298 WeakPolarHBondContact O-CB 3.49Å; Y295-F298 PolarHBondContact O-N 3.35Å; Y295-F298 VanDerWaalsContact O-N 3.08Å
296N91Very high91.3Very high129 Ų12997 Ų9769%0.6948%0.476SS*.G310 helixtrans-64-28.3171.3-61.8-49000111.1D294 F298D294-N296 PolarHBondContact O-N 2.92Å; D294-N296 VanDerWaalsContact OD1-CB 3.24Å; D294-N296 WeakPolarHBondContact OD1-CB 3.44Å; D294-N296 PolarHBondContact OD1-N 3.14Å; D294-N296 PolarHBondContact OD1-ND2 3.49Å; N296-F298 VanDerWaalsContact C-N 3.33Å
297L93Very high91.3Very high21 Ų2193.6 Ų93.611%0.1146%0.457CS..G310 helixtrans-86.6-2.5177.1-56.5-179.8000113R172 M283 D294 Y295 N299 N300R172-L297 PolarHBondContact NH1-O 3.37Å; M283-L297 HydrophobicContact CB-CB 4.09Å; D294-L297 HydrophobicContact CB-CD1 4.33Å; D294-L297 HydrophobicContact CB-CG 4.38Å; D294-L297 PolarHBondContact O-N 3.31Å; Y295-L297 PolarHBondContact O-N 2.97Å; L297-N299 VanDerWaalsContact C-N 3.29Å; L297-N299 PolarHBondContact O-N 3.33Å; L297-N300 HydrophobicContact CD2-CB 4.49Å; L297-N300 WeakPolarHBondContact CD2-ND2 3.3Å; L297-N300 PolarHBondContact O-N 3.04Å; L297-N300 VanDerWaalsContact O-N 3.1Å
298F93.7Very high91.4Very high2 Ų295 Ų951%0.00946%0.463CS..THydrogen-bonded Turntrans-56.4-43.7-174.9179.8-103.7000111.9R172 F176 P220 M283 Y295 N296R172-F298 HydrophobicContact CB-CD2 4.47Å; R172-F298 HydrophobicContact CB-CE2 3.85Å; R172-F298 HydrophobicContact CB-CZ 4.04Å; R172-F298 VanDerWaalsContact CD-O 3.22Å; R172-F298 WeakPolarHBondContact CD-O 3.44Å; R172-F298 PolarHBondContact NH1-O 3.44Å; F176-F298 HydrophobicContact CZ-CE1 4.32Å; P220-F298 HydrophobicContact CB-CD2 4Å; P220-F298 HydrophobicContact CB-CE2 3.98Å; P220-F298 HydrophobicContact CG-CD2 4.37Å; M283-F298 HydrophobicContact CE-CB 4.07Å; M283-F298 HydrophobicContact CE-CD2 4.04Å; M283-F298 HydrophobicContact SD-CD2 4.26Å; Y295-F298 WeakPolarHBondContact O-CB 3.49Å; Y295-F298 PolarHBondContact O-N 3.35Å; Y295-F298 VanDerWaalsContact O-N 3.08Å; N296-F298 VanDerWaalsContact C-N 3.33Å
299N94.6Very high91.7Very high62 Ų6286.3 Ų86.333%0.33243%0.428SS..THydrogen-bonded Turntrans-92.8-5-179.9-68.7-56000114.1S155 N156 L297S155-N299 WeakPolarHBondContact CA-OD1 3.31Å; N156-N299 PolarHBondContact N-OD1 3.33Å; L297-N299 VanDerWaalsContact C-N 3.29Å; L297-N299 PolarHBondContact O-N 3.33Å
300N95.3Very high91.9Very high70 Ų7078 Ų7837%0.37439%0.392SS..  trans-79.1135.5-172.4-71.64.7000111.2Q281 L297Q281-N300 HydrophobicContact CB-CB 4.37Å; Q281-N300 PolarHBondContact N-O 3.23Å; Q281-N300 VanDerWaalsContact N-O 3.07Å; L297-N300 HydrophobicContact CD2-CB 4.49Å; L297-N300 WeakPolarHBondContact CD2-ND2 3.3Å; L297-N300 PolarHBondContact O-N 3.04Å; L297-N300 VanDerWaalsContact O-N 3.1Å
301T96.1Very high92.1Very high43 Ų4371.7 Ų71.726%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-129.8146.3178.865.60000110.2V159 H278 L279 F280V159-T301 HydrophobicContact CG1-CG2 3.66Å; H278-T301 PolarHBondContact ND1-OG1 2.87Å; H278-T301 VanDerWaalsContact ND1-OG1 3.08Å; L279-T301 CarbonylContact O-C 3.49Å; L279-T301 VanDerWaalsContact O-CA 3.23Å; L279-T301 WeakPolarHBondContact O-CA 3.32Å; F280-T301 HydrophobicContact CD1-CG2 3.69Å; F280-T301 HydrophobicContact CE1-CG2 3.83Å; F280-T301 HydrophobicContact CG-CG2 4.45Å
302A94.8Very high92.3Very high48 Ų4866.5 Ų66.540%0.39735%0.345SS..EExtended strand (participates in β ladder)trans-114.3145.6175.800000109.9H278 L279H278-A302 CarbonylContact C-O 3.55Å; H278-A302 VanDerWaalsContact CA-O 3.29Å; H278-A302 WeakPolarHBondContact CA-O 3.39Å; L279-A302 PolarHBondContact N-O 3.29Å; L279-A302 PolarHBondContact O-N 2.97Å
303K94.8Very high92.4Very high179 Ų17962.1 Ų62.178%0.77833%0.332SS*.EExtended strand (participates in β ladder)trans-74.3136.7175.4-73.1179.6179.9-1790110.2G277 H278G277-K303 WeakPolarHBondContact O-CA 3.22Å; H278-K303 WeakPolarHBondContact NE2-CG 3.31Å
304V93.9Very high92.4Very high67 Ų6762.4 Ų62.441%0.40633%0.329SS..  trans-130.6145.1177.2-1770000108.8G277 L279 V306G277-V304 PolarHBondContact O-N 3.43Å; G277-V304 VanDerWaalsContact O-O 3.09Å; L279-V304 HydrophobicContact CB-CG2 3.58Å; L279-V304 HydrophobicContact CD2-CG2 4.44Å; V304-V306 HydrophobicContact CB-CG2 4.39Å; V304-V306 HydrophobicContact CG1-CG2 4.37Å; V304-V306 PolarHBondContact O-N 2.88Å; V304-V306 VanDerWaalsContact O-N 3.13Å
305L90.8Very high92.3Very high180 Ų18060.7 Ų60.794%0.94232%0.319SS*.  trans-66.6109.8173.3-90146.9000109.6
306V92.1Very high92.3Very high19 Ų1961.7 Ų61.712%0.11533%0.327CS..  trans-131.8141.2178.8-1780000108N161 L162 L167 V304N161-V306 HydrophobicContact CB-CG2 4.28Å; L162-V306 HydrophobicContact CB-CG1 4.47Å; L167-V306 HydrophobicContact CD2-CG1 3.66Å; V304-V306 HydrophobicContact CB-CG2 4.39Å; V304-V306 HydrophobicContact CG1-CG2 4.37Å; V304-V306 PolarHBondContact O-N 2.88Å; V304-V306 VanDerWaalsContact O-N 3.13Å
307P89.4Confident92.2Very high41 Ų4160.4 Ų60.427%0.26632%0.315SS..  trans-54.4141.2173.8-22.731.9000111.6W276 V309 Y314W276-P307 PolarHBondContact NE1-O 3.49Å; P307-V309 VanDerWaalsContact C-N 3.3Å; P307-V309 HydrophobicContact CB-CG2 3.81Å; P307-Y314 HydrophobicContact CB-CD2 3.98Å; P307-Y314 HydrophobicContact CB-CE2 4.42Å; P307-Y314 HydrophobicContact CG-CD2 3.55Å; P307-Y314 HydrophobicContact CG-CE2 3.5Å
308V90.8Very high91.8Very high80 Ų8062.3 Ų62.349%0.48532%0.322SS..SBendtrans-86.8-8.5-179.6-177.10000111.9L238L238-V308 HydrophobicContact CB-CG1 3.59Å; L238-V308 HydrophobicContact CD2-CG1 3.65Å; L238-V308 HydrophobicContact CD2-CG2 4.5Å; L238-V308 HydrophobicContact CG-CG1 4.18Å; L238-V308 PolarHBondContact N-O 3Å
309V92.1Very high91.4Very high36 Ų3667.1 Ų67.122%0.21835%0.348CS..SBendtrans-78.9164.1-178.9-61.60000111.9W276 P307 E313W276-V309 WeakPolarHBondContact CZ2-O 3.34Å; P307-V309 VanDerWaalsContact C-N 3.3Å; P307-V309 HydrophobicContact CB-CG2 3.81Å; V309-E313 HydrophobicContact CB-CB 4.08Å; V309-E313 WeakPolarHBondContact CG1-OE2 3.23Å; V309-E313 HydrophobicContact CG2-CB 4.37Å
310S92.8Very high90.7Very high3 Ų371.1 Ų71.12%0.02136%0.364CS..  trans-62.9162.6173.165.50000112.3K235 M236 E312 E313 Y314K235-S310 WeakPolarHBondContact O-CB 3.45Å; M236-S310 WeakPolarHBondContact O-CA 3.46Å; S310-E312 VanDerWaalsContact C-N 3.3Å; S310-E312 PolarHBondContact O-N 3.46Å; S310-E313 PolarHBondContact O-N 3.19Å; S310-E313 WeakPolarHBondContact OG-CG 3.39Å; S310-E313 PolarHBondContact OG-N 3.35Å; S310-Y314 WeakPolarHBondContact O-CB 3.43Å; S310-Y314 PolarHBondContact O-N 3.17Å
311A90.9Very high89.6Confident3 Ų376 Ų763%0.02538%0.383CS..Hα-helixtrans-63.2-38.8176.500000111.9L167 I227 Y234 Y314 E315L167-A311 HydrophobicContact CB-CB 4.27Å; L167-A311 HydrophobicContact CD1-CB 4.02Å; I227-A311 HydrophobicContact CB-CB 4.23Å; I227-A311 HydrophobicContact CG2-CB 3.68Å; Y234-A311 HydrophobicContact CD2-CB 3.78Å; Y234-A311 HydrophobicContact CE2-CB 4.09Å; Y234-A311 WeakPolarHBondContact O-CB 3Å; Y234-A311 PolarHBondContact O-N 2.91Å; A311-Y314 PolarHBondContact O-N 2.82Å; A311-E315 WeakPolarHBondContact O-CG 3.37Å; A311-E315 PolarHBondContact O-N 2.82Å
312E92.4Very high87.9Confident59 Ų5981.2 Ų81.228%0.27640%0.404SS..Hα-helixtrans-56.3-55173.6-176.3172.5-148.800112.6Y234 K235 S310 Y314 E315 Q316Y234-E312 HydrophobicContact CD1-CB 3.8Å; Y234-E312 HydrophobicContact CD1-CG 4.35Å; Y234-E312 HydrophobicContact CE1-CB 3.43Å; Y234-E312 VanDerWaalsContact CE1-CB 3.43Å; Y234-E312 HydrophobicContact CE1-CG 3.68Å; Y234-E312 PolarHBondContact O-N 3.33Å; Y234-E312 VanDerWaalsContact O-N 3.12Å; K235-E312 WeakPolarHBondContact CG-OE2 3.46Å; S310-E312 VanDerWaalsContact C-N 3.3Å; S310-E312 PolarHBondContact O-N 3.46Å; E312-Y314 VanDerWaalsContact C-N 3.27Å; E312-Y314 PolarHBondContact O-N 3.18Å; E312-E315 PolarHBondContact O-N 2.68Å; E312-Q316 WeakPolarHBondContact O-CG 3.31Å; E312-Q316 PolarHBondContact O-N 3.5Å
313E91.3Very high85.5Confident80 Ų8083 Ų8337%0.37441%0.413SS..Hα-helixtrans-63.8-35.6-179.6-75.7-177.3-150.400112.3V309 S310 K317V309-E313 HydrophobicContact CB-CB 4.08Å; V309-E313 WeakPolarHBondContact CG1-OE2 3.23Å; V309-E313 HydrophobicContact CG2-CB 4.37Å; S310-E313 PolarHBondContact O-N 3.19Å; S310-E313 WeakPolarHBondContact OG-CG 3.39Å; S310-E313 PolarHBondContact OG-N 3.35Å; E313-K317 WeakPolarHBondContact O-CB 3.06Å; E313-K317 WeakPolarHBondContact O-CG 3.49Å; E313-K317 PolarHBondContact O-N 3.48Å; E313-K317 IonicContact OE2-NZ 3.51Å
314Y90.4Very high83.4Confident50 Ų5080.1 Ų80.120%0.19641%0.413CS..Hα-helixtrans-64.4-45.1177.5179-106.2000111.4L162 G165 P307 S310 A311 E312 K317 K318L162-Y314 HydrophobicContact CD1-CD1 4.26Å; L162-Y314 HydrophobicContact CD1-CE1 3.49Å; L162-Y314 VanDerWaalsContact CD1-CE1 3.49Å; L162-Y314 WeakPolarHBondContact CD2-OH 3.47Å; G165-Y314 WeakPolarHBondContact O-CE1 3.4Å; P307-Y314 HydrophobicContact CB-CD2 3.98Å; P307-Y314 HydrophobicContact CB-CE2 4.42Å; P307-Y314 HydrophobicContact CG-CD2 3.55Å; P307-Y314 HydrophobicContact CG-CE2 3.5Å; S310-Y314 WeakPolarHBondContact O-CB 3.43Å; S310-Y314 PolarHBondContact O-N 3.17Å; A311-Y314 PolarHBondContact O-N 2.82Å; E312-Y314 VanDerWaalsContact C-N 3.27Å; E312-Y314 PolarHBondContact O-N 3.18Å; Y314-K317 PolarHBondContact O-N 2.62Å; Y314-K318 WeakPolarHBondContact O-CB 3.42Å; Y314-K318 PolarHBondContact O-N 2.91Å
315E89.4Confident81.2Confident26 Ų2688.6 Ų88.612%0.12144%0.437CS..Hα-helixtrans-66.8-40.5177-73.1-173.316500112.2Y166 Y234 A311 E312 K318 N319Y166-E315 VanDerWaalsContact CD1-OE1 3.26Å; Y166-E315 WeakPolarHBondContact CD1-OE1 3.43Å; Y166-E315 VanDerWaalsContact CE1-OE1 3.29Å; Y166-E315 WeakPolarHBondContact CE1-OE1 3.32Å; Y234-E315 WeakPolarHBondContact CE2-OE2 3.25Å; Y234-E315 PolarHBondContact OH-OE2 3.25Å; A311-E315 WeakPolarHBondContact O-CG 3.37Å; A311-E315 PolarHBondContact O-N 2.82Å; E312-E315 PolarHBondContact O-N 2.68Å; E315-K318 WeakPolarHBondContact O-CB 3.4Å; E315-K318 PolarHBondContact O-N 3.04Å; E315-N319 WeakPolarHBondContact O-CB 3.44Å; E315-N319 PolarHBondContact O-N 3.41Å; E315-N319 PolarHBondContact O-ND2 3.02Å
316Q89.5Confident78.7Confident98 Ų9886.3 Ų86.346%0.45844%0.435SS..Hα-helixtrans-59-50.2174.4-72.5174.6300111.5E312 K318 N319 E320E312-Q316 WeakPolarHBondContact O-CG 3.31Å; E312-Q316 PolarHBondContact O-N 3.5Å; Q316-K318 VanDerWaalsContact C-N 3.28Å; Q316-K318 PolarHBondContact O-N 3.45Å; Q316-N319 PolarHBondContact O-N 2.02Å; Q316-N319 VanDerWaalsContact O-N 3.15Å; Q316-E320 WeakPolarHBondContact O-CG 3.49Å; Q316-E320 PolarHBondContact O-N 2.86Å
317K88.1Confident76.5Confident101 Ų10190.4 Ų90.444%0.43946%0.464SS..Hα-helixtrans-62.9-33.3177.5-74.6169.1-178.3157.70112.7E313 Y314 K321E313-K317 WeakPolarHBondContact O-CB 3.06Å; E313-K317 WeakPolarHBondContact O-CG 3.49Å; E313-K317 PolarHBondContact O-N 3.48Å; E313-K317 IonicContact OE2-NZ 3.51Å; Y314-K317 PolarHBondContact O-N 2.62Å; K317-K321 WeakPolarHBondContact O-CG 3.04Å; K317-K321 PolarHBondContact O-N 3.31Å
318K85.6Confident74.4Confident62 Ų6294.4 Ų94.427%0.2749%0.49SS..Hα-helixtrans-67.4-44.3174.5-176.2-177.9178.1-174.60110.9G165 Y314 E315 Q316 K321 H322G165-K318 PolarHBondContact O-NZ 2.96Å; G165-K318 VanDerWaalsContact O-NZ 3.12Å; Y314-K318 WeakPolarHBondContact O-CB 3.42Å; Y314-K318 PolarHBondContact O-N 2.91Å; E315-K318 WeakPolarHBondContact O-CB 3.4Å; E315-K318 PolarHBondContact O-N 3.04Å; Q316-K318 VanDerWaalsContact C-N 3.28Å; Q316-K318 PolarHBondContact O-N 3.45Å; K318-K321 PolarHBondContact O-N 3.32Å; K318-H322 PolarHBondContact O-N 2.75Å
319N83.5Confident72.1Confident103 Ų103102.1 Ų102.155%0.55151%0.511SS*.Hα-helixtrans-68-38.1179-69.8-16000112.5E315 Q316 K321 H322 S323E315-N319 WeakPolarHBondContact O-CB 3.44Å; E315-N319 PolarHBondContact O-N 3.41Å; E315-N319 PolarHBondContact O-ND2 3.02Å; Q316-N319 PolarHBondContact O-N 2.02Å; Q316-N319 VanDerWaalsContact O-N 3.15Å; N319-K321 VanDerWaalsContact C-N 3.32Å; N319-K321 PolarHBondContact O-N 3.02Å; N319-H322 PolarHBondContact O-N 3.08Å; N319-S323 PolarHBondContact O-N 3.37Å; N319-S323 VanDerWaalsContact O-N 3.08Å
320E81.4Confident69.6Low145 Ų145106.6 Ų106.668%0.67854%0.54SS*.Hα-helixtrans-61.6-38.7173.7-74.7179.2170.300112.4Q316 H322Q316-E320 WeakPolarHBondContact O-CG 3.49Å; Q316-E320 PolarHBondContact O-N 2.86Å; E320-H322 VanDerWaalsContact C-N 3.3Å; E320-H322 PolarHBondContact O-N 3.46Å
321K71Confident66.9Low174 Ų174111.9 Ų111.976%0.75758%0.578SS**Hα-helixtrans-72.3-20.6176.5-74.7178.8-179-178.50113.8K317 K318 N319K317-K321 WeakPolarHBondContact O-CG 3.04Å; K317-K321 PolarHBondContact O-N 3.31Å; K318-K321 PolarHBondContact O-N 3.32Å; N319-K321 VanDerWaalsContact C-N 3.32Å; N319-K321 PolarHBondContact O-N 3.02Å
322H60.8Low64.4Low152 Ų152117.2 Ų117.270%0.70462%0.615SS**Hα-helixtrans-100.3-7.4-179.7-83.219000114K318 N319 E320 P324K318-H322 PolarHBondContact O-N 2.75Å; N319-H322 PolarHBondContact O-N 3.08Å; E320-H322 VanDerWaalsContact C-N 3.3Å; E320-H322 PolarHBondContact O-N 3.46Å; H322-P324 WeakPolarHBondContact O-CD 3.16Å
323S45.3Very low61.4Low85 Ų85126.1 Ų126.159%0.59465%0.646SS**SBendtrans-68.2120.8166.3-81.50000109.8N319 R325N319-S323 PolarHBondContact O-N 3.37Å; N319-S323 VanDerWaalsContact O-N 3.08Å; S323-R325 PolarHBondContact O-N 3.29Å; S323-R325 VanDerWaalsContact O-N 3.09Å
324P50.8Low58.5Low119 Ų119127.4 Ų127.477%0.77366%0.663SS**  trans-62.3119.4171.525.2-29.8000107.2H322 C326H322-P324 WeakPolarHBondContact O-CD 3.16Å; P324-C326 PolarHBondContact O-N 2.98Å
325R46Very low55.8Low244 Ų244131.2 Ų131.292%0.92169%0.694SS**  trans-49.2113.4166.2-87.8179.4170.8175.3-3.2107.3S323 S327S323-R325 PolarHBondContact O-N 3.29Å; S323-R325 VanDerWaalsContact O-N 3.09Å; R325-S327 VanDerWaalsContact C-N 3.35Å; R325-S327 PolarHBondContact O-N 3.33Å
326C39.2Very low52.9Low132 Ų132139.3 Ų139.389%0.89273%0.732SS**  trans-58.4102.1164.9-118.30000107P324P324-C326 PolarHBondContact O-N 2.98Å
327S45Very low50Low105 Ų105144.4 Ų144.473%0.73475%0.753SS**  trans-67.4132.1173.2420000109.2R325R325-S327 VanDerWaalsContact C-N 3.35Å; R325-S327 PolarHBondContact O-N 3.33Å
328P46.8Very low46.9Very low125 Ų125145.1 Ų145.181%0.81277%0.769SS**  trans-65.9138.7171.826.2-29.7000110.1
329R42.3Very low44.1Very low243 Ų243148.9 Ų148.992%0.91779%0.792SS**  trans-27.7133.1175.8-100.6175.5171.1-179.3-2.2114.5
330P40.1Very low41.4Very low129 Ų129153.4 Ų153.484%0.83881%0.807SS**PPolyproline II helixtrans-92.4121.6162.531.3-22.8000110.5
331S35.3Very low38.9Very low115 Ų115153.5 Ų153.580%0.80481%0.807SS**PPolyproline II helixtrans-70.4148.9155.749.90000110.1
332S37.3Very low36.9Very low115 Ų115153 Ų15380%0.80481%0.813SS**PPolyproline II helixtrans-53.6130.2-173.544.80000116.2
333R31Very low35.4Very low246 Ų246154.6 Ų154.693%0.92881%0.813SS**  trans-169.4154.4135.6-112.1171.5176.5-177.2-1.5112.8
334S30.5Very low34.8Very low106 Ų106158.9 Ų158.974%0.74183%0.828SS**  trans-56.6167.8-165.543.90000118.9
335P33.1Very low33.9Very low130 Ų130160.3 Ų160.384%0.84483%0.829SS**  trans-89.7141.9-157.734.9-31.8000114.2
336Q28.2Very low33.1Very low196 Ų196152.5 Ų152.592%0.91682%0.817SS**  trans-129.7133.5163-94.1-179.2-2600110.3
337K27.9Very low32.7Very low206 Ų206152.4 Ų152.490%0.89682%0.815SS**  trans-70.4143.6175.8-83173.9168.3176.90112.1
338C23.5Very low31.8Very low116 Ų116153.2 Ų153.278%0.78482%0.816SS**  trans151.9146.6150-880000107.2
339D26.8Very low31Very low141 Ų141153.6 Ų153.675%0.75482%0.815SS**  cis-163.4162.7-16-125.3-34.7000105
340K27.9Very low30.3Very low198 Ų198147.8 Ų147.886%0.86181%0.807SS**  trans-18.9128.8-177.7-73.5165176174.30119.8
341E28.8Very low29.8Very low146 Ų146147.3 Ų147.368%0.68280%0.801SS**  trans-52.8122.4165.3-152.2176.6172.600112.5R343E341-R343 HydrophobicContact CG-CG 4.13Å; E341-R343 IonicContact OE1-CZ 3.54Å; E341-R343 VanDerWaalsContact OE1-CZ 3.29Å; E341-R343 IonicContact OE1-NE 2.76Å; E341-R343 PolarHBondContact OE1-NE 2.98Å; E341-R343 IonicContact OE1-NH2 3.35Å; E341-R343 PolarHBondContact OE1-NH2 3.3Å
342N29.1Very low29.3Very low165 Ų165149.8 Ų149.888%0.88280%0.8SS**  trans-106.791.1167.3-128.85.5000107.8
343R28.8Very low29Very low185 Ų185152.3 Ų152.370%0.69880%0.804SS**  trans-78.4118.2171.2-72.2-167.4179.6-163.40.6109.1E341 N345E341-R343 HydrophobicContact CG-CG 4.13Å; E341-R343 IonicContact OE1-CZ 3.54Å; E341-R343 VanDerWaalsContact OE1-CZ 3.29Å; E341-R343 IonicContact OE1-NE 2.76Å; E341-R343 PolarHBondContact OE1-NE 2.98Å; E341-R343 IonicContact OE1-NH2 3.35Å; E341-R343 PolarHBondContact OE1-NH2 3.3Å; R343-N345 PolarHBondContact O-N 2.97Å
344L33.1Very low28.8Very low174 Ų174146 Ų14691%0.91179%0.793SS**  trans-64.7114.6162.8-11476.8000108.2
345N31.5Very low28.6Very low149 Ų149149.5 Ų149.580%0.79780%0.797SS**  trans-73.9142.9171.2-68.6-27.5000110.4R343R343-N345 PolarHBondContact O-N 2.97Å
346A29.2Very low28.4Very low81 Ų81150.8 Ų150.867%0.66980%0.797SS**  trans-62.615016800000110.6T348A346-T348 PolarHBondContact O-N 3.37Å
347P29.7Very low28.5Very low129 Ų129148.4 Ų148.484%0.83879%0.791SS**  trans-70.4110.9-179.227.8-31000110
348T27.5Very low28.6Very low123 Ų123147.5 Ų147.576%0.75579%0.79SS**  trans-78.7115.6164-54.90000108A346 T350A346-T348 PolarHBondContact O-N 3.37Å; T348-T350 PolarHBondContact O-N 3.44Å
349V29Very low28.9Very low132 Ų132147.3 Ų147.380%0.879%0.787SS**  trans-74104.8168.1177.60000107.4
350T27.3Very low29.2Very low122 Ų122149.2 Ų149.275%0.74879%0.791SS**  trans-81.9117.7171.1-29.60000108T348 E352T348-T350 PolarHBondContact O-N 3.44Å; T350-E352 PolarHBondContact O-N 3.35Å
351V30.4Very low29.4Very low118 Ų118145.7 Ų145.772%0.71579%0.789SS**  trans-80.5102.8171.5-178.50000107.3L353V351-L353 PolarHBondContact O-N 3.34Å
352E25.3Very low29.4Very low167 Ų167146.4 Ų146.478%0.7880%0.798SS**  trans-69.7115.9161-91.5-176.8152.100108.3T350 T354T350-E352 PolarHBondContact O-N 3.35Å; E352-T354 VanDerWaalsContact C-N 3.3Å; E352-T354 PolarHBondContact O-N 3.43Å
353L30.1Very low29.3Very low169 Ų169146.4 Ų146.489%0.88580%0.796SS**  trans-67.595.8160.4-90.1107.7000107.6V351 Q355V351-L353 PolarHBondContact O-N 3.34Å; L353-Q355 PolarHBondContact O-N 2.89Å
354T26.3Very low29.4Very low114 Ų114143.1 Ų143.170%0.69980%0.799SS**  trans-71.7113.8161.525.90000108E352 D356E352-T354 VanDerWaalsContact C-N 3.3Å; E352-T354 PolarHBondContact O-N 3.43Å; T354-D356 PolarHBondContact O-N 3.48Å
355Q28.1Very low29Very low178 Ų178140.8 Ų140.883%0.83279%0.792SS**  trans-81.796.2174.4-153.7166.93.500106.7L353 N357L353-Q355 PolarHBondContact O-N 2.89Å; Q355-N357 PolarHBondContact O-N 3.17Å
356D27.1Very low28.7Very low157 Ų157140.2 Ų140.284%0.8479%0.794SS**  trans-69.199174.2-93.7-19.2000109.4T354T354-D356 PolarHBondContact O-N 3.48Å
357N31.6Very low28.6Very low147 Ų147144.8 Ų144.879%0.78680%0.802SS**  trans-92.998.4158.6-94.3-10000107.8Q355Q355-N357 PolarHBondContact O-N 3.17Å
358Q28.8Very low28.4Very low187 Ų187143.4 Ų143.487%0.87480%0.802SS**  trans-154.6151.4147.4-89.6-129.4-34.300111.6
359P31.2Very low28.3Very low112 Ų112146.8 Ų146.873%0.72781%0.809SS**PPolyproline II helixtrans-84.1149.9-156.3-2.521.9000113
360E33Very low28.1Very low180 Ų180146 Ų14684%0.84181%0.809SS**PPolyproline II helixtrans-57.9142.8170.7-71.4-168.3141.800112.2
361P30.8Very low28Very low124 Ų124149.1 Ų149.181%0.80582%0.815SS**PPolyproline II helixtrans-81.3121.2161.427.8-21.2000110L363P361-L363 PolarHBondContact O-N 3.28Å
362N29.1Very low27.7Very low162 Ų162152.5 Ų152.587%0.86682%0.823SS**PPolyproline II helixtrans-50.6129.1175.4-63.2-35.9000112.8
363L28.4Very low27.8Very low164 Ų164152.4 Ų152.486%0.85982%0.823SS**  trans-114137158.3-137.581000107.6P361P361-L363 PolarHBondContact O-N 3.28Å
364P29.3Very low27.5Very low117 Ų117152.5 Ų152.576%0.7682%0.818SS**  trans-75.3139.3-163.527.9-30.7000113.1
365T25.6Very low27.4Very low124 Ų124153 Ų15376%0.76182%0.822SS**  trans-59.8132.3169-4.10000110.9E367T365-E367 HydrophobicContact CG2-CG 4.38Å
366T25.6Very low27.3Very low137 Ų137152.3 Ų152.384%0.8482%0.823SS**  trans-124.496.2154.9-44.60000106.3
367E26.2Very low27.2Very low178 Ų178149.5 Ų149.583%0.83282%0.821SS**  trans-77.7125.2164.4-72.8177.9154.200108.1T365T365-E367 HydrophobicContact CG2-CG 4.38Å
368A25Very low26.9Very low100 Ų100149.2 Ų149.283%0.82682%0.824SS**  trans-138.1112.7151.900000106.6
369E25.3Very low26.6Very low193 Ų193145.1 Ų145.190%0.90282%0.816SS**  trans-61.4143.3177.8-63.4167.3124.100112.2
370S25Very low26.2Very low117 Ų117151.1 Ų151.182%0.81882%0.824SS**  -171.8101.5125.463.50000109.8
371Q25Very low25.9Very low186 Ų186150 Ų15087%0.86982%0.824SS**  trans-81.8127.9159.7-76.4179.1-2000108.4
372H25.9Very low26.2Very low189 Ų189149 Ų14988%0.87582%0.818SS**  trans-121.3115.2159.4-125.540.7000107.5
373Q26.4Very low26.1Very low166 Ų166146.5 Ų146.578%0.77681%0.809SS**  trans-120.2104.7177.1-172.6164.7200106.5
374E24.1Very low26.2Very low171 Ų171145.5 Ų145.580%0.79980%0.802SS**  trans-83124.4170.1-79.8-177.4143.200109.5
375T24.7Very low26.2Very low125 Ų125145.1 Ų145.177%0.76780%0.798SS**  trans-135.7112.9159-51.50000105.8
376L25Very low26.3Very low163 Ų163146.6 Ų146.685%0.85380%0.797SS**  trans-119.7125.5174-87168.1000110.2
377A24.9Very low26.6Very low97 Ų97148.4 Ų148.480%0.80280%0.795SS**  trans-94.3164168.400000111
378V24.7Very low27Very low141 Ų141152.7 Ų152.786%0.85582%0.815SS**  trans-79141.7-157.51640000116.7
379S22.8Very low27.1Very low101 Ų101155.4 Ų155.471%0.70682%0.815SS**  trans70.8122.8142.1-1620000122.8
380R24.4Very low27.2Very low239 Ų239153.4 Ų153.490%0.90281%0.81SS**  179.8127.2106.4-95.6174-179.9170.20.5111.9
381D26.2Very low27.3Very low156 Ų156155.4 Ų155.483%0.83481%0.81SS**  trans-65.1165.2155.8-100-29.2000110.6
382P37.1Very low27.4Very low103 Ų103153.6 Ų153.667%0.66981%0.806SS**  cis-150.3-177.935.639.1-15.9000118.5
383T27Very low27.5Very low110 Ų110151.4 Ų151.468%0.67580%0.802SS**  trans83116.4143.639.60000123.6
384I29.9Very low27.6Very low142 Ų142150.4 Ų150.473%0.72880%0.804SS**  95130.1120.3-66.6167.4000121.6
385T28.6Very low27.8Very low110 Ų110148.9 Ų148.968%0.67580%0.804SS**  trans83.2116.3150.141.40000124.8
386E29.3Very low28.1Very low155 Ų155150.8 Ų150.872%0.72481%0.807SS**  69.8133.4120.1-72.7-173.6140.800124.1
387Q30.7Very low28.3Very low175 Ų175149.8 Ų149.882%0.81880%0.803SS**  trans64124.8147.2-67.2171.11.900116.6
388E34.4Very low28.6Very low268 Ų268154.5 Ų154.5100%1.25280%0.803SS**  -151.7055.7-162.4177.314700111.3

Retrieved 388 of 388 residues in 318.4 ms (Link to these results)

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