A0A3Q0KMV9_SCHMA Loading...

Translocation protein SEC62

AlphaFold DB , UniProt , Accession A0A3Q0KMV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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
1M50.4Low57.1Low204 Ų204120.4 Ų120.4100%1.00563%0.628SS**  0-34.60-74.3147.277.100113.5K3 V4M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.49Å; M1-V4 PolarHBondContact O-N 3.26Å
2N54.6Low56.9Low134 Ų134117.5 Ų117.572%0.71761%0.607SS**Hα-helixtrans-49.3-31.9-168.2-53.129.6000116.9V4 I5 F6N2-V4 VanDerWaalsContact C-N 3.3Å; N2-V4 PolarHBondContact O-N 2.81Å; N2-I5 PolarHBondContact O-N 3.21Å; N2-F6 PolarHBondContact O-N 2.77Å
3K62.7Low56.5Low185 Ų185110.4 Ų110.480%0.80458%0.581SS**Hα-helixtrans-58.9-35.5-178.7-71.3-168.2176.1-173.40113.7M1 V7M1-K3 VanDerWaalsContact C-N 3.27Å; M1-K3 PolarHBondContact O-N 3.49Å; K3-V7 WeakPolarHBondContact O-CG2 3.4Å; K3-V7 PolarHBondContact O-N 2.85Å; K3-V7 VanDerWaalsContact O-N 3.16Å
4V56.5Low56.2Low103 Ų103107.7 Ų107.762%0.62457%0.573SS**Hα-helixtrans-70.5-46.8179.7-177.50000110.5M1 N2 F6 V7 C8M1-V4 PolarHBondContact O-N 3.26Å; N2-V4 VanDerWaalsContact C-N 3.3Å; N2-V4 PolarHBondContact O-N 2.81Å; V4-F6 VanDerWaalsContact C-N 3.27Å; V4-F6 PolarHBondContact O-N 2.81Å; V4-V7 PolarHBondContact O-N 3.14Å; V4-V7 VanDerWaalsContact O-N 3.13Å; V4-C8 PolarHBondContact O-N 2.64Å; V4-C8 PolarHBondContact O-SG 3.25Å; V4-C8 VanDerWaalsContact O-SG 3.4Å
5I58.8Low55.7Low106 Ų106107.2 Ų107.254%0.54457%0.57SS.*Hα-helixtrans-59.3-40.3177.7-56.6173.2000110.6N2 C8 L9N2-I5 PolarHBondContact O-N 3.21Å; I5-C8 PolarHBondContact O-N 3.02Å; I5-L9 HydrophobicContact CG2-CD1 4.1Å; I5-L9 WeakPolarHBondContact O-CG 3.36Å; I5-L9 PolarHBondContact O-N 3.16Å
6F56.2Low55.1Low136 Ų136108.8 Ų108.860%0.59658%0.578SS**Hα-helixtrans-66.7-36.1177.8-158.9-98.9000112.9N2 V4 L10N2-F6 PolarHBondContact O-N 2.77Å; V4-F6 VanDerWaalsContact C-N 3.27Å; V4-F6 PolarHBondContact O-N 2.81Å; F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.47Å; F6-L10 HydrophobicContact CE1-CD1 3.69Å; F6-L10 HydrophobicContact CE1-CG 4.37Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.01Å
7V61.6Low54.3Low89 Ų89107.6 Ų107.654%0.53958%0.58SS.*Hα-helixtrans-67-45172.6170.60000110.8K3 V4 L9 L10 T11K3-V7 WeakPolarHBondContact O-CG2 3.4Å; K3-V7 PolarHBondContact O-N 2.85Å; K3-V7 VanDerWaalsContact O-N 3.16Å; V4-V7 PolarHBondContact O-N 3.14Å; V4-V7 VanDerWaalsContact O-N 3.13Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.86Å; V7-L10 PolarHBondContact O-N 3.42Å; V7-L10 VanDerWaalsContact O-N 3.11Å; V7-T11 PolarHBondContact O-N 2.87Å; V7-T11 PolarHBondContact O-OG1 3.44Å
8C54.8Low53.7Low58 Ų58112.2 Ų112.239%0.39259%0.589SS.*Hα-helixtrans-60.3-41.6175.7-63.40000112.2V4 I5 L10 T11 F12V4-C8 PolarHBondContact O-N 2.64Å; V4-C8 PolarHBondContact O-SG 3.25Å; V4-C8 VanDerWaalsContact O-SG 3.4Å; I5-C8 PolarHBondContact O-N 3.02Å; C8-L10 VanDerWaalsContact C-N 3.3Å; C8-L10 PolarHBondContact O-N 3.29Å; C8-T11 PolarHBondContact O-N 2.91Å; C8-T11 PolarHBondContact O-OG1 2.86Å; C8-T11 VanDerWaalsContact O-OG1 3.09Å; C8-F12 HydrophobicContact CB-CD2 4.48Å; C8-F12 WeakPolarHBondContact O-CB 3.38Å; C8-F12 VanDerWaalsContact O-CD2 3.31Å; C8-F12 WeakPolarHBondContact O-CD2 3.3Å; C8-F12 PolarHBondContact O-N 3.32Å
9L55.4Low52.9Low116 Ų116111.1 Ų111.161%0.60759%0.592SS**Hα-helixtrans-65-32.1174.8-76167.7000112.7I5 V7 G13I5-L9 HydrophobicContact CG2-CD1 4.1Å; I5-L9 WeakPolarHBondContact O-CG 3.36Å; I5-L9 PolarHBondContact O-N 3.16Å; V7-L9 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 2.86Å; L9-G13 VanDerWaalsContact O-CA 3.24Å; L9-G13 WeakPolarHBondContact O-CA 3.37Å; L9-G13 PolarHBondContact O-N 2.81Å
10L57Low52Low112 Ų112111.4 Ų111.459%0.58660%0.598SS**Hα-helixtrans-75.2-29.9173.8-80168.6000113.6F6 V7 C8 P14F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.47Å; F6-L10 HydrophobicContact CE1-CD1 3.69Å; F6-L10 HydrophobicContact CE1-CG 4.37Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3.01Å; V7-L10 PolarHBondContact O-N 3.42Å; V7-L10 VanDerWaalsContact O-N 3.11Å; C8-L10 VanDerWaalsContact C-N 3.3Å; C8-L10 PolarHBondContact O-N 3.29Å; L10-P14 WeakPolarHBondContact O-CD 3.49Å
11T60.1Low51Low81 Ų81112.5 Ų112.550%0.49760%0.599SS.*Hα-helixtrans-82.6-36.7176.855.90000112.8V7 C8V7-T11 PolarHBondContact O-N 2.87Å; V7-T11 PolarHBondContact O-OG1 3.44Å; C8-T11 PolarHBondContact O-N 2.91Å; C8-T11 PolarHBondContact O-OG1 2.86Å; C8-T11 VanDerWaalsContact O-OG1 3.09Å
12F55.2Low50.1Low86 Ų86109 Ų10938%0.37759%0.592SS.*Hα-helixtrans-92.7-21.3179.7-69.7-69.8000114C8 L15 L16 V157C8-F12 HydrophobicContact CB-CD2 4.48Å; C8-F12 WeakPolarHBondContact O-CB 3.38Å; C8-F12 VanDerWaalsContact O-CD2 3.31Å; C8-F12 WeakPolarHBondContact O-CD2 3.3Å; C8-F12 PolarHBondContact O-N 3.32Å; F12-L15 HydrophobicContact CD1-CD1 4.15Å; F12-L15 WeakPolarHBondContact O-CB 3.39Å; F12-L15 PolarHBondContact O-N 3.3Å; F12-L16 WeakPolarHBondContact O-CG 3.49Å; F12-L16 PolarHBondContact O-N 3.3Å; F12-V157 HydrophobicContact CE1-CG1 3.81Å; F12-V157 HydrophobicContact CE1-CG2 4.11Å; F12-V157 HydrophobicContact CZ-CG1 3.8Å
13G51.6Low48.9Very low25 Ų25106 Ų10626%0.25858%0.581SS.*Hα-helixtrans-53.8-47.6176.400000113.9L9 L16 S17L9-G13 VanDerWaalsContact O-CA 3.24Å; L9-G13 WeakPolarHBondContact O-CA 3.37Å; L9-G13 PolarHBondContact O-N 2.81Å; G13-L16 PolarHBondContact O-N 2.9Å; G13-S17 VanDerWaalsContact O-CB 3.28Å; G13-S17 WeakPolarHBondContact O-CB 3.32Å; G13-S17 PolarHBondContact O-N 3.49Å; G13-S17 PolarHBondContact O-OG 3.37Å
14P52Low47.5Very low73 Ų73106.2 Ų106.247%0.47458%0.577SS.*Hα-helixtrans-63.8-41.5175.3-24.535.1000113L10 L16 S17 Y18L10-P14 WeakPolarHBondContact O-CD 3.49Å; P14-L16 VanDerWaalsContact C-N 3.35Å; P14-L16 PolarHBondContact O-N 3.36Å; P14-S17 PolarHBondContact O-N 2.87Å; P14-Y18 PolarHBondContact O-N 2.93Å
15L48Very low46.3Very low100 Ų100108.9 Ų108.952%0.52459%0.587SS.*Hα-helixtrans-61.2-41.3177.6-89.8158.7000112.3F12F12-L15 HydrophobicContact CD1-CD1 4.15Å; F12-L15 WeakPolarHBondContact O-CB 3.39Å; F12-L15 PolarHBondContact O-N 3.3Å
16L46.2Very low45.2Very low133 Ų133105.8 Ų105.870%0.69658%0.575SS**Hα-helixtrans-73.9-32.7175.5-68.7166.8000112.3F12 G13 P14F12-L16 WeakPolarHBondContact O-CG 3.49Å; F12-L16 PolarHBondContact O-N 3.3Å; G13-L16 PolarHBondContact O-N 2.9Å; P14-L16 VanDerWaalsContact C-N 3.35Å; P14-L16 PolarHBondContact O-N 3.36Å
17S42.3Very low44.9Very low89 Ų89101.5 Ų101.562%0.62256%0.559SS**Hα-helixtrans-74.3-24.4-179.9-580000113.1G13 P14 S19 V20G13-S17 VanDerWaalsContact O-CB 3.28Å; G13-S17 WeakPolarHBondContact O-CB 3.32Å; G13-S17 PolarHBondContact O-N 3.49Å; G13-S17 PolarHBondContact O-OG 3.37Å; P14-S17 PolarHBondContact O-N 2.87Å; S17-S19 PolarHBondContact O-N 2.7Å; S17-S19 VanDerWaalsContact O-N 3.13Å; S17-V20 PolarHBondContact O-N 2.84Å
18Y43.1Very low44.6Very low190 Ų190100.6 Ų100.675%0.74555%0.548SS*.THydrogen-bonded Turntrans-68.3-3.6176.5-108-74.7000114.7P14P14-Y18 PolarHBondContact O-N 2.93Å
19S38.1Very low44.9Very low91 Ų91100.7 Ų100.764%0.63654%0.541SS*.THydrogen-bonded Turntrans-89.1-17.9-179.5-169.80000114S17S17-S19 PolarHBondContact O-N 2.7Å; S17-S19 VanDerWaalsContact O-N 3.13Å
20V35.4Very low45.2Very low117 Ų11795.1 Ų95.171%0.70951%0.512SS*.  trans-126.875.3-173.2-1680000111.5S17 P22S17-V20 PolarHBondContact O-N 2.84Å; V20-P22 WeakPolarHBondContact O-CD 3.27Å
21E31.5Very low45.4Very low135 Ų13590.6 Ų90.663%0.63149%0.488SS*.  trans-108.492.8172.1-150.2-170.3-174.200110S23E21-S23 WeakPolarHBondContact CG-OG 3.41Å; E21-S23 PolarHBondContact O-N 2.85Å
22P30.5Very low45.7Very low131 Ų13187.1 Ų87.185%0.85147%0.467SS*.THydrogen-bonded Turntrans-80.233.8-170.135.3-38.8000113.1V20V20-P22 WeakPolarHBondContact O-CD 3.27Å
23S30Very low45.9Very low71 Ų7183.3 Ų83.350%0.49745%0.45SS..THydrogen-bonded Turntrans-120-8.6-166.961.80000114.2E21 L25E21-S23 WeakPolarHBondContact CG-OG 3.41Å; E21-S23 PolarHBondContact O-N 2.85Å; S23-L25 PolarHBondContact O-N 3.48Å
24R32.8Very low46.1Very low188 Ų18882.1 Ų82.171%0.70944%0.438SS*.  trans-70.2102.5174.1-76.4-167.1171.7-148.9-5.4110.4S26R24-S26 PolarHBondContact O-N 3.25Å
25L31.7Very low45.8Very low160 Ų16079.5 Ų79.584%0.83842%0.422SS*.  trans-67.470.9145.4-7386.4000107.9S23 V27S23-L25 PolarHBondContact O-N 3.48Å; L25-V27 PolarHBondContact O-N 2.81Å
26S36.4Very low45.8Very low41 Ų4178.2 Ų78.229%0.28742%0.421SS..  trans-58.5120.8161.235.10000106.9R24 F28R24-S26 PolarHBondContact O-N 3.25Å; S26-F28 WeakPolarHBondContact O-CD2 3.46Å; S26-F28 PolarHBondContact O-N 3.18Å; S26-F28 WeakPolarHBondContact OG-CE2 3.42Å; S26-F28 VanDerWaalsContact OG-CZ 3.32Å; S26-F28 WeakPolarHBondContact OG-CZ 3.19Å
27V48.9Very low45.6Very low45 Ų4576.6 Ų76.627%0.27341%0.41SS..  trans-66.193.7164.1177.60000104.7L25 W29 Y99 F106L25-V27 PolarHBondContact O-N 2.81Å; V27-W29 HydrophobicContact CG1-CD2 4.42Å; V27-W29 WeakPolarHBondContact O-CZ3 3.5Å; V27-W29 PolarHBondContact O-N 2.86Å; V27-Y99 HydrophobicContact CG1-CD1 3.64Å; V27-Y99 HydrophobicContact CG1-CE1 4.28Å; V27-Y99 HydrophobicContact CG1-CG 4.03Å; V27-F106 HydrophobicContact CG1-CD1 4.48Å; V27-F106 HydrophobicContact CG1-CE1 4.26Å; V27-F106 HydrophobicContact CG2-CD1 4.48Å; V27-F106 HydrophobicContact CG2-CE1 4.06Å; V27-F106 HydrophobicContact CG2-CZ 4.34Å
28F55.8Low45.7Very low70 Ų7077.7 Ų77.731%0.30742%0.415SS..  trans-65.2104.8173.8-71.5-75.6000107.1S26 S109 V138 D140S26-F28 WeakPolarHBondContact O-CD2 3.46Å; S26-F28 PolarHBondContact O-N 3.18Å; S26-F28 WeakPolarHBondContact OG-CE2 3.42Å; S26-F28 VanDerWaalsContact OG-CZ 3.32Å; S26-F28 WeakPolarHBondContact OG-CZ 3.19Å; F28-S109 WeakPolarHBondContact O-CB 3.36Å; F28-S109 PolarHBondContact O-OG 3.24Å; F28-V138 HydrophobicContact CB-CG1 3.96Å; F28-V138 HydrophobicContact CD1-CG1 3.78Å; F28-V138 HydrophobicContact CG-CG1 4.18Å; F28-D140 HydrophobicContact CD1-CB 4.29Å; F28-D140 HydrophobicContact CE1-CB 4.37Å
29W62Low45.7Very low60 Ų6071.9 Ų71.923%0.22740%0.4CS..EExtended strand (participates in β ladder)trans-68.8153.4174.8-74.3-92.8000109.1V27 D83 Y139 I141V27-W29 HydrophobicContact CG1-CD2 4.42Å; V27-W29 WeakPolarHBondContact O-CZ3 3.5Å; V27-W29 PolarHBondContact O-N 2.86Å; W29-D83 PolarHBondContact NE1-OD2 3.4Å; W29-Y139 HydrophobicContact CB-CD1 4.39Å; W29-Y139 PolarHBondContact N-O 3.25Å; W29-Y139 PolarHBondContact O-N 3.19Å; W29-I141 HydrophobicContact CD2-CD1 4.04Å; W29-I141 HydrophobicContact CE3-CB 4.22Å; W29-I141 HydrophobicContact CE3-CD1 3.33Å; W29-I141 HydrophobicContact CE3-CG1 3.75Å; W29-I141 HydrophobicContact CH2-CG1 4.17Å; W29-I141 HydrophobicContact CZ3-CB 3.74Å; W29-I141 HydrophobicContact CZ3-CD1 3.66Å; W29-I141 HydrophobicContact CZ3-CG1 3.48Å; W29-I141 VanDerWaalsContact CZ3-CG1 3.48Å; W29-I141 HydrophobicContact CZ3-CG2 4.39Å
30I60.1Low45.8Very low0 Ų075.8 Ų75.80%041%0.408CS..EExtended strand (participates in β ladder)trans-107.9121.4170.4-57.9172.3000106.6I96 F97 F98 I112 V113 P136 K137I30-I96 VanDerWaalsContact O-O 3.09Å; I30-F97 WeakPolarHBondContact O-CA 3.32Å; I30-F98 HydrophobicContact CB-CD1 4.13Å; I30-F98 HydrophobicContact CB-CD2 4.21Å; I30-F98 HydrophobicContact CB-CE1 3.84Å; I30-F98 HydrophobicContact CB-CE2 3.94Å; I30-F98 HydrophobicContact CB-CG 4.33Å; I30-F98 HydrophobicContact CB-CZ 3.75Å; I30-F98 HydrophobicContact CD1-CD2 4.26Å; I30-F98 HydrophobicContact CD1-CE2 3.74Å; I30-F98 HydrophobicContact CD1-CZ 4.2Å; I30-F98 HydrophobicContact CG1-CE2 4.41Å; I30-F98 HydrophobicContact CG2-CD1 4.36Å; I30-F98 HydrophobicContact CG2-CE1 3.59Å; I30-F98 HydrophobicContact CG2-CE2 4.05Å; I30-F98 HydrophobicContact CG2-CZ 3.41Å; I30-F98 VanDerWaalsContact CG2-CZ 3.41Å; I30-F98 PolarHBondContact N-O 3.24Å; I30-F98 WeakPolarHBondContact O-CD1 3.25Å; I30-F98 PolarHBondContact O-N 3.46Å; I30-I112 HydrophobicContact CD1-CB 3.63Å; I30-I112 HydrophobicContact CD1-CD1 3.82Å; I30-I112 HydrophobicContact CD1-CG1 4.36Å; I30-I112 HydrophobicContact CD1-CG2 3.47Å; I30-I112 VanDerWaalsContact CD1-CG2 3.47Å; I30-V113 HydrophobicContact CB-CG2 4.44Å; I30-V113 HydrophobicContact CD1-CG2 4.2Å; I30-V113 HydrophobicContact CG1-CG2 3.97Å; I30-V113 HydrophobicContact CG2-CG2 3.74Å; I30-P136 HydrophobicContact CG2-CB 3.91Å; I30-K137 WeakPolarHBondContact CA-O 3.21Å
31V62.7Low45.8Very low16 Ų1679 Ų7910%0.09741%0.413CS..EExtended strand (participates in β ladder)trans-95.1131.9172.9161.90000109.3V33 I96 F97 P136 K137 Y139V31-V33 HydrophobicContact CG1-CG2 3.99Å; V31-I96 WeakPolarHBondContact CA-O 3.44Å; V31-F97 HydrophobicContact CG2-CD1 3.31Å; V31-F97 HydrophobicContact CG2-CE1 3.22Å; V31-F97 HydrophobicContact CG2-CG 4.1Å; V31-F97 HydrophobicContact CG2-CZ 3.97Å; V31-P136 VanDerWaalsContact O-CA 3.28Å; V31-P136 WeakPolarHBondContact O-CA 3.36Å; V31-K137 PolarHBondContact N-O 2.8Å; V31-K137 PolarHBondContact O-N 2.96Å; V31-Y139 HydrophobicContact CB-CG 4.49Å; V31-Y139 VanDerWaalsContact CG2-CB 3.46Å; V31-Y139 HydrophobicContact CG2-CD1 3.94Å; V31-Y139 HydrophobicContact CG2-CD2 3.95Å; V31-Y139 HydrophobicContact CG2-CG 3.52Å
32L65.2Low46.2Very low8 Ų880.1 Ų80.14%0.04242%0.423CS..EExtended strand (participates in β ladder)trans-128.3133.4166.7-174.274.1000108.7L34 K95 I96 F98 L124 L128 I132 E134 P136L32-L34 HydrophobicContact CD2-CD2 3.82Å; L32-L34 HydrophobicContact CD2-CG 4.34Å; L32-L34 HydrophobicContact CG-CD2 4.02Å; L32-L34 HydrophobicContact CG-CG 4.44Å; L32-K95 WeakPolarHBondContact O-CA 3.33Å; L32-I96 PolarHBondContact N-O 2.9Å; L32-I96 VanDerWaalsContact N-O 3.12Å; L32-I96 PolarHBondContact O-N 3.42Å; L32-F98 HydrophobicContact CB-CE1 4.29Å; L32-L124 HydrophobicContact CD1-CD2 4.45Å; L32-L128 HydrophobicContact CD2-CD1 3.27Å; L32-I132 HydrophobicContact CD1-CD1 4.42Å; L32-I132 HydrophobicContact CD1-CG2 4.07Å; L32-E134 WeakPolarHBondContact CD1-O 3.4Å; L32-P136 HydrophobicContact CD1-CB 3.95Å; L32-P136 HydrophobicContact CD1-CG 4.12Å
33V59.6Low46.8Very low6 Ų682.5 Ų82.54%0.03642%0.423CS..EExtended strand (participates in β ladder)trans-110.9119.3-178.5-1710000110.2V31 Y93 K95 I133 E134V31-V33 HydrophobicContact CG1-CG2 3.99Å; V33-Y93 HydrophobicContact CG1-CD2 4.27Å; V33-Y93 HydrophobicContact CG1-CG 4.39Å; V33-K95 HydrophobicContact CG1-CG 4.39Å; V33-K95 HydrophobicContact CG2-CG 4.15Å; V33-I133 HydrophobicContact CG1-CB 4.39Å; V33-I133 HydrophobicContact CG1-CD1 4.23Å; V33-I133 PolarHBondContact O-N 3.18Å; V33-E134 HydrophobicContact CB-CB 3.88Å; V33-E134 HydrophobicContact CB-CG 4.15Å; V33-E134 HydrophobicContact CG2-CB 3.91Å; V33-E134 HydrophobicContact CG2-CG 4.15Å; V33-E134 PolarHBondContact N-O 2.86Å; V33-E134 PolarHBondContact O-N 2.94Å
34L56.4Low47.3Very low0 Ų081.8 Ų81.80%042%0.418CS..EExtended strand (participates in β ladder)trans-114.1147.2-174.6-56.8178.5000111.4L32 Y93 L94 I96 L128 M130 P131 I132L32-L34 HydrophobicContact CD2-CD2 3.82Å; L32-L34 HydrophobicContact CD2-CG 4.34Å; L32-L34 HydrophobicContact CG-CD2 4.02Å; L32-L34 HydrophobicContact CG-CG 4.44Å; L34-Y93 CarbonylContact O-C 3.53Å; L34-Y93 WeakPolarHBondContact O-CA 3.5Å; L34-L94 HydrophobicContact CB-CB 4.37Å; L34-L94 PolarHBondContact N-O 2.83Å; L34-L94 PolarHBondContact O-N 3.26Å; L34-I96 HydrophobicContact CD1-CD1 3.64Å; L34-I96 HydrophobicContact CD1-CG1 4.38Å; L34-L128 HydrophobicContact CD2-CD1 4.24Å; L34-M130 HydrophobicContact CB-CB 4.18Å; L34-M130 HydrophobicContact CB-SD 4.25Å; L34-M130 HydrophobicContact CD1-CB 4.12Å; L34-M130 HydrophobicContact CD1-CE 3.6Å; L34-M130 HydrophobicContact CD1-SD 3.9Å; L34-M130 HydrophobicContact CD2-CB 4.41Å; L34-M130 HydrophobicContact CG-CB 4.48Å; L34-P131 CarbonylContact C-O 3.53Å; L34-P131 VanDerWaalsContact CA-O 3.31Å; L34-P131 WeakPolarHBondContact CA-O 3.38Å; L34-I132 HydrophobicContact CD2-CB 4.37Å; L34-I132 HydrophobicContact CD2-CG1 3.56Å
35S45.2Very low47.7Very low19 Ų1981.7 Ų81.713%0.13343%0.428CS..EExtended strand (participates in β ladder)trans-82.2130.4171.1179.90000110.6Q37 P131S35-Q37 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact OG-N 2.82Å; S35-Q37 PolarHBondContact OG-O 3.46Å; S35-P131 PolarHBondContact N-O 3.09Å
36S48.4Very low48.4Very low73 Ų7378 Ų7851%0.5141%0.407SS..SBendtrans-89.7-0.6165.485.40000113S92S36-S92 PolarHBondContact N-O 3.45Å; S36-S92 PolarHBondContact OG-O 3.34Å; S36-S92 VanDerWaalsContact OG-O 3.11Å
37Q42.8Very low49Very low99 Ų9981 Ų8146%0.46342%0.42SS..SBendtrans-89.9135169.7-67-176.710.700109.8S35 S92S35-Q37 VanDerWaalsContact C-N 3.35Å; S35-Q37 PolarHBondContact OG-N 2.82Å; S35-Q37 PolarHBondContact OG-O 3.46Å; Q37-S92 PolarHBondContact NE2-OG 2.9Å
38P42.8Very low48.9Very low111 Ų11185.9 Ų85.972%0.72144%0.438SS*.PPolyproline II helixtrans-61.7133.5171.927.4-33.4000108.9H40P38-H40 PolarHBondContact O-N 3.45Å
39P43.8Very low48.7Very low68 Ų6886.5 Ų86.544%0.44245%0.447SS..PPolyproline II helixtrans-56.5125.9-179.823.7-34.6000110S44 P131P39-S44 PolarHBondContact O-OG 3.23Å; P39-S44 VanDerWaalsContact O-OG 3.05Å; P39-P131 HydrophobicContact CB-CG 4.33Å; P39-P131 HydrophobicContact CG-CG 4.11Å
40H39.9Very low48.3Very low173 Ų17386.3 Ų86.380%0.80145%0.453SS*.PPolyproline II helixtrans-49.8143.2-170.1-115.7-86.6000111.9P38 D42P38-H40 PolarHBondContact O-N 3.45Å; H40-D42 PolarHBondContact O-N 2.96Å
41K36.1Very low47.9Very low185 Ų18590.6 Ų90.680%0.80447%0.469SS*.THydrogen-bonded Turntrans-48.4112.8-175.2-61175.9-179.8177.30111.4
42D40Very low47.2Very low158 Ų15894.4 Ų94.485%0.84549%0.485SS*.THydrogen-bonded Turn167.7-19.9121.9-79.5-10.8000112.2H40H40-D42 PolarHBondContact O-N 2.96Å
43E42Very low46.7Very low182 Ų18297 Ų9785%0.8551%0.505SS*.SBendtrans-100.5-11.6178.5-61.4-167.2125.600114.6
44S40.4Very low46.5Very low56 Ų56101.7 Ų101.739%0.39252%0.524SS..THydrogen-bonded Turntrans-93.21.4-155.850.50000117.7P39P39-S44 PolarHBondContact O-OG 3.23Å; P39-S44 VanDerWaalsContact O-OG 3.05Å
45M41.5Very low46.1Very low186 Ų186103.3 Ų103.392%0.91653%0.533SS*.THydrogen-bonded Turntrans-133.455.1169.8-83.1-163.916800111.9N47M45-N47 PolarHBondContact O-N 2.95Å
46M47.6Very low46.4Very low81 Ų81104.7 Ų104.740%0.39954%0.542SS..  trans-60119.9153.6-88.1-159.2161.400108.6K48 V50 W51 K54M46-K48 PolarHBondContact O-N 3.31Å; M46-V50 HydrophobicContact CE-CG1 4.12Å; M46-V50 HydrophobicContact CG-CG1 4.37Å; M46-V50 HydrophobicContact SD-CG1 3.8Å; M46-W51 HydrophobicContact CB-CG 4.43Å; M46-K54 HydrophobicContact SD-CD 4.26Å; M46-K54 PolarHBondContact SD-NZ 2.95Å; M46-K54 VanDerWaalsContact SD-NZ 3.45Å
47N47.1Very low47Very low104 Ų104107.9 Ų107.956%0.55655%0.549SS*.  trans-50.2140.4177.2-175.5-4.6000110M45 T49 V50 W51M45-N47 PolarHBondContact O-N 2.95Å; N47-T49 PolarHBondContact O-N 3.01Å; N47-V50 HydrophobicContact CB-CG2 4.19Å; N47-V50 WeakPolarHBondContact O-CA 3.35Å; N47-V50 WeakPolarHBondContact O-CB 3.44Å; N47-V50 PolarHBondContact O-N 3.29Å; N47-W51 PolarHBondContact O-N 2.96Å
48K47Very low47.2Very low149 Ų149105.8 Ų105.865%0.64855%0.549SS*.Hα-helixtrans-44.5-44.1-177.7174.1175.3168.11760112.5M46 V50 W51 E52M46-K48 PolarHBondContact O-N 3.31Å; K48-V50 VanDerWaalsContact C-N 3.34Å; K48-V50 PolarHBondContact O-N 3.21Å; K48-W51 PolarHBondContact O-N 3.34Å; K48-E52 WeakPolarHBondContact CE-OE1 3.41Å; K48-E52 HydrophobicContact CG-CG 4.35Å; K48-E52 IonicContact NZ-OE1 3.77Å; K48-E52 WeakPolarHBondContact O-CG 3.37Å; K48-E52 PolarHBondContact O-N 3.49Å
49T52.8Low47.1Very low82 Ų82102.7 Ų102.750%0.50353%0.526SS..Hα-helixtrans-66.7-2717949.20000114.9N47 S53N47-T49 PolarHBondContact O-N 3.01Å; T49-S53 WeakPolarHBondContact O-CB 3.48Å; T49-S53 PolarHBondContact O-N 3.27Å; T49-S53 PolarHBondContact O-OG 3.29Å
50V53Low47.5Very low57 Ų57107.2 Ų107.235%0.34554%0.539SS..Hα-helixtrans-79.2-32175.4-179.60000111M46 N47 K48 S53 K54M46-V50 HydrophobicContact CE-CG1 4.12Å; M46-V50 HydrophobicContact CG-CG1 4.37Å; M46-V50 HydrophobicContact SD-CG1 3.8Å; N47-V50 HydrophobicContact CB-CG2 4.19Å; N47-V50 WeakPolarHBondContact O-CA 3.35Å; N47-V50 WeakPolarHBondContact O-CB 3.44Å; N47-V50 PolarHBondContact O-N 3.29Å; K48-V50 VanDerWaalsContact C-N 3.34Å; K48-V50 PolarHBondContact O-N 3.21Å; V50-S53 PolarHBondContact O-OG 3.47Å; V50-S53 VanDerWaalsContact O-OG 3.1Å; V50-K54 WeakPolarHBondContact O-CG 3.27Å; V50-K54 PolarHBondContact O-N 2.91Å
51W52.8Low47.9Very low90 Ų90103.5 Ų103.534%0.34153%0.532SS..Hα-helixtrans-69-47.8167.6-95.9113.9000111.2M46 N47 K48 S53 K54 I55M46-W51 HydrophobicContact CB-CG 4.43Å; N47-W51 PolarHBondContact O-N 2.96Å; K48-W51 PolarHBondContact O-N 3.34Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.9Å; W51-K54 PolarHBondContact O-N 3.35Å; W51-I55 HydrophobicContact CB-CD1 4.41Å; W51-I55 HydrophobicContact CE3-CD1 4Å; W51-I55 HydrophobicContact CE3-CG1 4.16Å; W51-I55 VanDerWaalsContact O-CB 3.27Å; W51-I55 WeakPolarHBondContact O-CB 3.28Å; W51-I55 WeakPolarHBondContact O-CD1 3.27Å; W51-I55 WeakPolarHBondContact O-CG1 3.38Å; W51-I55 PolarHBondContact O-N 2.86Å
52E47.9Very low48.1Very low95 Ų9597.4 Ų97.444%0.44451%0.513SS..Hα-helixtrans-58.1-38.3178.1-73.8169.6156.200112.7K48 S56K48-E52 WeakPolarHBondContact CE-OE1 3.41Å; K48-E52 HydrophobicContact CG-CG 4.35Å; K48-E52 IonicContact NZ-OE1 3.77Å; K48-E52 WeakPolarHBondContact O-CG 3.37Å; K48-E52 PolarHBondContact O-N 3.49Å; E52-S56 WeakPolarHBondContact O-CB 3.44Å; E52-S56 PolarHBondContact O-N 3.47Å
53S54.3Low48Very low64 Ų6499.3 Ų99.345%0.44851%0.513SS..Hα-helixtrans-69-49.4176.265.70000112.5T49 V50 W51 I55 S56 E57T49-S53 WeakPolarHBondContact O-CB 3.48Å; T49-S53 PolarHBondContact O-N 3.27Å; T49-S53 PolarHBondContact O-OG 3.29Å; V50-S53 PolarHBondContact O-OG 3.47Å; V50-S53 VanDerWaalsContact O-OG 3.1Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.9Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.32Å; S53-S56 WeakPolarHBondContact O-CB 3.4Å; S53-S56 PolarHBondContact O-N 2.94Å; S53-S56 VanDerWaalsContact O-N 3.15Å; S53-E57 WeakPolarHBondContact O-CB 3.36Å; S53-E57 PolarHBondContact O-N 3.16Å
54K54.9Low47.6Very low103 Ų10395.7 Ų95.745%0.44850%0.499SS..Hα-helixtrans-57.2-40.5173.9-80.5-176.5169.6-174.10112.3M46 V50 W51 E57 A58M46-K54 HydrophobicContact SD-CD 4.26Å; M46-K54 PolarHBondContact SD-NZ 2.95Å; M46-K54 VanDerWaalsContact SD-NZ 3.45Å; V50-K54 WeakPolarHBondContact O-CG 3.27Å; V50-K54 PolarHBondContact O-N 2.91Å; W51-K54 PolarHBondContact O-N 3.35Å; K54-E57 PolarHBondContact O-N 3.33Å; K54-A58 WeakPolarHBondContact O-CB 3.31Å; K54-A58 PolarHBondContact O-N 2.92Å
55I47.3Very low47.1Very low34 Ų3498 Ų9817%0.17452%0.515CS..Hα-helixtrans-63-48.5175.7-75.5163.9000110W51 S53 E57 A58 L59 W123W51-I55 HydrophobicContact CB-CD1 4.41Å; W51-I55 HydrophobicContact CE3-CD1 4Å; W51-I55 HydrophobicContact CE3-CG1 4.16Å; W51-I55 VanDerWaalsContact O-CB 3.27Å; W51-I55 WeakPolarHBondContact O-CB 3.28Å; W51-I55 WeakPolarHBondContact O-CD1 3.27Å; W51-I55 WeakPolarHBondContact O-CG1 3.38Å; W51-I55 PolarHBondContact O-N 2.86Å; S53-I55 VanDerWaalsContact C-N 3.27Å; S53-I55 PolarHBondContact O-N 3.32Å; I55-E57 PolarHBondContact O-N 2.9Å; I55-A58 PolarHBondContact O-N 3.35Å; I55-L59 HydrophobicContact CG2-CD1 3.52Å; I55-L59 HydrophobicContact CG2-CG 4.35Å; I55-L59 WeakPolarHBondContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CD1 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.5Å; I55-L59 PolarHBondContact O-N 2.99Å; I55-W123 HydrophobicContact CB-CZ2 4.41Å; I55-W123 HydrophobicContact CD1-CH2 4.24Å; I55-W123 HydrophobicContact CD1-CZ2 3.61Å; I55-W123 HydrophobicContact CG1-CZ2 3.87Å; I55-W123 HydrophobicContact CG2-CH2 3.88Å; I55-W123 HydrophobicContact CG2-CZ2 3.63Å
56S52.4Low46.7Very low48 Ų4895.9 Ų95.934%0.33650%0.498SS..Hα-helixtrans-57.3-38175.6-170.20000112.6E52 S53 K60E52-S56 WeakPolarHBondContact O-CB 3.44Å; E52-S56 PolarHBondContact O-N 3.47Å; S53-S56 WeakPolarHBondContact O-CB 3.4Å; S53-S56 PolarHBondContact O-N 2.94Å; S53-S56 VanDerWaalsContact O-N 3.15Å; S56-K60 WeakPolarHBondContact O-CB 3.31Å; S56-K60 WeakPolarHBondContact O-CD 3.43Å; S56-K60 WeakPolarHBondContact O-CG 3.47Å; S56-K60 PolarHBondContact O-N 3.5Å; S56-K60 PolarHBondContact OG-NZ 3.13Å
57E61.1Low45.8Very low140 Ų14095.3 Ų95.365%0.65450%0.502SS*.Hα-helixtrans-73.6-40.3-179.8-162.4160.5-123.700112.6S53 K54 I55 K60 S61S53-E57 WeakPolarHBondContact O-CB 3.36Å; S53-E57 PolarHBondContact O-N 3.16Å; K54-E57 PolarHBondContact O-N 3.33Å; I55-E57 PolarHBondContact O-N 2.9Å; E57-K60 PolarHBondContact O-N 3.33Å; E57-S61 PolarHBondContact O-N 3.36Å; E57-S61 PolarHBondContact O-OG 3.41Å
58A47.4Very low45.1Very low55 Ų5598.9 Ų98.946%0.45552%0.515SS..Hα-helixtrans-66.6-36.8172.300000112.7K54 I55 S61 S62K54-A58 WeakPolarHBondContact O-CB 3.31Å; K54-A58 PolarHBondContact O-N 2.92Å; I55-A58 PolarHBondContact O-N 3.35Å; A58-S61 WeakPolarHBondContact CA-OG 3.24Å; A58-S61 PolarHBondContact O-OG 2.94Å; A58-S61 VanDerWaalsContact O-OG 3.12Å; A58-S62 VanDerWaalsContact O-CB 3.29Å; A58-S62 WeakPolarHBondContact O-CB 3.46Å; A58-S62 PolarHBondContact O-N 3.31Å; A58-S62 VanDerWaalsContact O-N 3.1Å; A58-S62 PolarHBondContact O-OG 2.98Å
59L39.1Very low44.2Very low46 Ų46101.4 Ų101.424%0.24152%0.522CS..Hα-helixtrans-68.6-40.6175.4-70.3162.6000111.8I55 S62 Y66I55-L59 HydrophobicContact CG2-CD1 3.52Å; I55-L59 HydrophobicContact CG2-CG 4.35Å; I55-L59 WeakPolarHBondContact O-CB 3.28Å; I55-L59 WeakPolarHBondContact O-CD1 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.5Å; I55-L59 PolarHBondContact O-N 2.99Å; L59-S62 PolarHBondContact O-OG 3.4Å; L59-Y66 HydrophobicContact CB-CE2 4.47Å; L59-Y66 HydrophobicContact CD1-CE2 3.94Å; L59-Y66 VanDerWaalsContact CD1-OH 3.24Å; L59-Y66 WeakPolarHBondContact CD1-OH 3.42Å; L59-Y66 HydrophobicContact CD2-CE2 3.92Å; L59-Y66 HydrophobicContact CG-CE2 4.33Å
60K54Low43Very low164 Ų164106.2 Ų106.271%0.71354%0.537SS*.Hα-helixtrans-63.8-40.5174.7-76.7162.9-178.1153.60112.9S56 E57S56-K60 WeakPolarHBondContact O-CB 3.31Å; S56-K60 WeakPolarHBondContact O-CD 3.43Å; S56-K60 WeakPolarHBondContact O-CG 3.47Å; S56-K60 PolarHBondContact O-N 3.5Å; S56-K60 PolarHBondContact OG-NZ 3.13Å; E57-K60 PolarHBondContact O-N 3.33Å
61S47.6Very low41.7Very low94 Ų94109 Ų10966%0.65755%0.549SS*.Hα-helixtrans-77.5-30.9-177.151.80000113.9E57 A58 K63E57-S61 PolarHBondContact O-N 3.36Å; E57-S61 PolarHBondContact O-OG 3.41Å; A58-S61 WeakPolarHBondContact CA-OG 3.24Å; A58-S61 PolarHBondContact O-OG 2.94Å; A58-S61 VanDerWaalsContact O-OG 3.12Å; S61-K63 VanDerWaalsContact C-N 3.31Å; S61-K63 PolarHBondContact O-N 2.92Å
62S39.4Very low40.6Very low58 Ų58110.3 Ų110.341%0.40657%0.57SS.*THydrogen-bonded Turntrans-78.3-3.9-175.453.60000115.6A58 L59 I64A58-S62 VanDerWaalsContact O-CB 3.29Å; A58-S62 WeakPolarHBondContact O-CB 3.46Å; A58-S62 PolarHBondContact O-N 3.31Å; A58-S62 VanDerWaalsContact O-N 3.1Å; A58-S62 PolarHBondContact O-OG 2.98Å; L59-S62 PolarHBondContact O-OG 3.4Å; S62-I64 PolarHBondContact O-N 2.99Å; S62-I64 VanDerWaalsContact O-N 3.09Å; S62-I64 WeakPolarHBondContact OG-CG1 3.29Å
63K38.5Very low39.7Very low197 Ų197110.6 Ų110.686%0.85758%0.577SS**THydrogen-bonded Turntrans52.123.1-171.9-69.5-173.3175.5-179.70114S61 S65S61-K63 VanDerWaalsContact C-N 3.31Å; S61-K63 PolarHBondContact O-N 2.92Å; K63-S65 PolarHBondContact O-N 3.09Å
64I34.1Very low38.6Very low106 Ų106116 Ų11654%0.54460%0.595SS.*  trans-70100.1173.2-64.7173.6000107.2S62 Y66S62-I64 PolarHBondContact O-N 2.99Å; S62-I64 VanDerWaalsContact O-N 3.09Å; S62-I64 WeakPolarHBondContact OG-CG1 3.29Å; I64-Y66 PolarHBondContact O-N 3.35Å; I64-Y66 VanDerWaalsContact O-N 3.13Å
65S28.9Very low37.7Very low105 Ų105116.1 Ų116.173%0.73461%0.609SS**  trans-58.6115.4166.9-175.80000108.1K63 S67K63-S65 PolarHBondContact O-N 3.09Å; S65-S67 PolarHBondContact O-N 2.91Å
66Y33.3Very low37.6Very low141 Ų141116.9 Ų116.955%0.55362%0.616SS**  trans-61.8107.6158.6-88-93000107.1L59 I64 E68L59-Y66 HydrophobicContact CB-CE2 4.47Å; L59-Y66 HydrophobicContact CD1-CE2 3.94Å; L59-Y66 VanDerWaalsContact CD1-OH 3.24Å; L59-Y66 WeakPolarHBondContact CD1-OH 3.42Å; L59-Y66 HydrophobicContact CD2-CE2 3.92Å; L59-Y66 HydrophobicContact CG-CE2 4.33Å; I64-Y66 PolarHBondContact O-N 3.35Å; I64-Y66 VanDerWaalsContact O-N 3.13Å; Y66-E68 PolarHBondContact O-N 3.42Å
67S29.2Very low37.5Very low69 Ų69120 Ų12048%0.48363%0.629SS.*  trans-63.1131.1153.963.90000106.7S65 Y69S65-S67 PolarHBondContact O-N 2.91Å; S67-Y69 PolarHBondContact O-N 3.29Å
68E31.3Very low37.1Very low180 Ų180115 Ų11584%0.84161%0.609SS**THydrogen-bonded Turntrans-70.122.4-179.1-62.7173.4120.500112.7Y66Y66-E68 PolarHBondContact O-N 3.42Å
69Y28.1Very low37.6Very low201 Ų201113.4 Ų113.479%0.78860%0.595SS**THydrogen-bonded Turntrans-99.26.5-176.9-71.1-90.7000113.2S67 D71S67-Y69 PolarHBondContact O-N 3.29Å; Y69-D71 PolarHBondContact O-N 3.44Å
70F29.4Very low38.8Very low184 Ų184114.4 Ų114.481%0.80760%0.602SS**  trans-85.438.5159.9-99.2-74.1000112
71D25.5Very low39Very low115 Ų115108.8 Ų108.862%0.61558%0.582SS**  trans-51.1136.4152.6-96-34.9000109.1Y69 V73Y69-D71 PolarHBondContact O-N 3.44Å; D71-V73 WeakPolarHBondContact O-CG2 3.42Å; D71-V73 PolarHBondContact O-N 3.11Å
72P28.5Very low39.9Very low118 Ų118107.9 Ų107.977%0.76657%0.572SS**  trans-72.176.3167.731.3-33.7000109E74P72-E74 PolarHBondContact O-N 2.94Å
73V30.3Very low40.9Very low100 Ų100109 Ų10961%0.60657%0.574SS**  trans-47.9112.3-163.5-168.40000112.1D71 S75 V76D71-V73 WeakPolarHBondContact O-CG2 3.42Å; D71-V73 PolarHBondContact O-N 3.11Å; V73-S75 PolarHBondContact O-N 3.05Å; V73-V76 HydrophobicContact CB-CG2 3.87Å; V73-V76 HydrophobicContact CG1-CG2 3.48Å; V73-V76 VanDerWaalsContact CG1-CG2 3.48Å
74E29.9Very low42Very low177 Ų177105.9 Ų105.983%0.82756%0.557SS**THydrogen-bonded Turntrans-52.9122-168.2-64.5-174116.200112.8P72 V76P72-E74 PolarHBondContact O-N 2.94Å; E74-V76 PolarHBondContact O-N 2.97Å
75S37Very low43.5Very low106 Ų106105 Ų10574%0.74155%0.553SS**THydrogen-bonded Turntrans52.134.1165.470.10000115.8V73 N77V73-S75 PolarHBondContact O-N 3.05Å; S75-N77 PolarHBondContact O-N 3.28Å; S75-N77 PolarHBondContact O-OD1 3.49Å
76V45.2Very low45.1Very low50 Ų50102.7 Ų102.730%0.30353%0.531SS..  trans-67.286.2168.9-175.90000108.6V73 E74 S78 R102V73-V76 HydrophobicContact CB-CG2 3.87Å; V73-V76 HydrophobicContact CG1-CG2 3.48Å; V73-V76 VanDerWaalsContact CG1-CG2 3.48Å; E74-V76 PolarHBondContact O-N 2.97Å; V76-S78 VanDerWaalsContact C-N 3.32Å; V76-S78 VanDerWaalsContact O-CB 3.31Å; V76-S78 WeakPolarHBondContact O-CB 3.41Å; V76-S78 PolarHBondContact O-N 3.32Å; V76-S78 PolarHBondContact O-OG 3.49Å; V76-R102 HydrophobicContact CG1-CG 4.43Å; V76-R102 VanDerWaalsContact CG1-NH2 3.31Å
77N50.6Low46.6Very low114 Ų114101.7 Ų101.761%0.6153%0.529SS*.  trans-48.988.9-175.6-75.5-13.6000112.3S75 R102 K103S75-N77 PolarHBondContact O-N 3.28Å; S75-N77 PolarHBondContact O-OD1 3.49Å; N77-R102 CarbonylContact O-C 3.54Å; N77-R102 WeakPolarHBondContact O-CA 3.4Å; N77-K103 HydrophobicContact CB-CG 4.5Å; N77-K103 PolarHBondContact O-N 3.26Å
78S51.9Low48.1Very low36 Ų3699.9 Ų99.925%0.25251%0.514SS..EExtended strand (participates in β ladder)trans-130.8105-174.4-51.20000106.9V76 Q101 M347V76-S78 VanDerWaalsContact C-N 3.32Å; V76-S78 VanDerWaalsContact O-CB 3.31Å; V76-S78 WeakPolarHBondContact O-CB 3.41Å; V76-S78 PolarHBondContact O-N 3.32Å; V76-S78 PolarHBondContact O-OG 3.49Å; S78-Q101 CarbonylContact C-O 3.55Å; S78-Q101 VanDerWaalsContact CA-O 3.23Å; S78-Q101 WeakPolarHBondContact CA-O 3.26Å; S78-M347 VanDerWaalsContact O-SD 3.34Å
79S57.2Low49.4Very low21 Ų2198 Ų9815%0.14751%0.505CS..EExtended strand (participates in β ladder)trans-96.5115.5177.353.60000109.1Q101S79-Q101 PolarHBondContact N-O 2.99Å; S79-Q101 PolarHBondContact O-N 3.36Å
80V64Low50.6Low66 Ų6698.1 Ų98.140%0.451%0.51SS..EExtended strand (participates in β ladder)trans-72.3126.1159.8-174.20000106.9F98 V100 M347V80-F98 HydrophobicContact CG1-CB 4.26Å; V80-F98 HydrophobicContact CG1-CD2 3.75Å; V80-F98 HydrophobicContact CG1-CE2 4.46Å; V80-F98 HydrophobicContact CG1-CG 4.27Å; V80-V100 HydrophobicContact CG2-CG2 4.1Å; V80-M347 HydrophobicContact CB-CE 4.36Å; V80-M347 HydrophobicContact CG2-CE 3.58Å
81V60Low52Low46 Ų4697 Ų9728%0.27950%0.5SS..EExtended strand (participates in β ladder)trans-117.9118.9174-173.60000107.4F98 Y99V81-F98 VanDerWaalsContact O-CA 3.26Å; V81-F98 WeakPolarHBondContact O-CA 3.35Å; V81-F98 WeakPolarHBondContact O-CB 3.37Å; V81-Y99 HydrophobicContact CB-CD2 4.01Å; V81-Y99 HydrophobicContact CB-CE1 4.42Å; V81-Y99 HydrophobicContact CB-CE2 3.48Å; V81-Y99 VanDerWaalsContact CB-CE2 3.48Å; V81-Y99 HydrophobicContact CG1-CE1 4.44Å; V81-Y99 HydrophobicContact CG1-CE2 4.04Å; V81-Y99 HydrophobicContact CG2-CD2 4.37Å; V81-Y99 HydrophobicContact CG2-CE2 3.73Å; V81-Y99 PolarHBondContact N-O 3.29Å; V81-Y99 PolarHBondContact O-N 2.85Å
82V66.4Low53.8Low75 Ų7593 Ų9346%0.45548%0.481SS..EExtended strand (participates in β ladder)trans-81125168.7-178.40000107.3I85 I96 F98V82-I85 HydrophobicContact CG1-CD1 3.98Å; V82-I85 HydrophobicContact CG1-CG1 3.6Å; V82-I96 HydrophobicContact CG1-CG2 3.79Å; V82-I96 HydrophobicContact CG2-CG2 4.06Å; V82-F98 HydrophobicContact CG2-CB 4.28Å
83D59.7Low55.4Low82 Ų8291 Ų9144%0.43946%0.459SS..EExtended strand (participates in β ladder)trans-103.7-37-173.4-160.766.4000111.1W29 F97 Y99W29-D83 PolarHBondContact NE1-OD2 3.4Å; D83-F97 PolarHBondContact N-O 2.93Å; D83-Y99 HydrophobicContact CB-CD1 4.22Å; D83-Y99 HydrophobicContact CB-CE1 3.85Å; D83-Y99 WeakPolarHBondContact OD1-CE1 3.31Å
84Y61.7Low56.9Low132 Ų13288.1 Ų88.152%0.51844%0.44SS..EExtended strand (participates in β ladder)trans-146.3153.6174.4-175.6-123.7000111.5E86 F97Y84-E86 HydrophobicContact CD1-CB 4.43Å; Y84-E86 HydrophobicContact CE1-CB 3.73Å; Y84-E86 HydrophobicContact CE1-CG 4.25Å; Y84-F97 AromaticContact CD1-CD2 3.58Å; Y84-F97 HydrophobicContact CD1-CD2 3.58Å; Y84-F97 AromaticContact CD1-CE2 3.65Å; Y84-F97 HydrophobicContact CD1-CE2 3.65Å; Y84-F97 HydrophobicContact CD1-CG 4.28Å; Y84-F97 HydrophobicContact CD1-CZ 4.38Å; Y84-F97 HydrophobicContact CE1-CD2 4.47Å; Y84-F97 HydrophobicContact CE1-CE2 4.13Å; Y84-F97 HydrophobicContact CG-CD2 4.24Å; Y84-F97 PolarHBondContact N-O 3.49Å; Y84-F97 PolarHBondContact O-N 2.92Å
85I66.1Low58.6Low88 Ų8882.5 Ų82.545%0.45141%0.413SS..EExtended strand (participates in β ladder)trans-134.5118.2172-56.1179.9000107.3V82 L94 K95V82-I85 HydrophobicContact CG1-CD1 3.98Å; V82-I85 HydrophobicContact CG1-CG1 3.6Å; I85-L94 HydrophobicContact CG2-CD1 3.45Å; I85-L94 VanDerWaalsContact CG2-CD1 3.45Å; I85-L94 HydrophobicContact CG2-CD2 4.21Å; I85-L94 HydrophobicContact CG2-CG 3.73Å; I85-K95 WeakPolarHBondContact CA-O 2.98Å
86E61.2Low60Low56 Ų5678.7 Ų78.726%0.26238%0.384SS..EExtended strand (participates in β ladder)trans-100.3129.7174.8-166.6-164.9145.200109Y84 L94 K95 F97Y84-E86 HydrophobicContact CD1-CB 4.43Å; Y84-E86 HydrophobicContact CE1-CB 3.73Å; Y84-E86 HydrophobicContact CE1-CG 4.25Å; E86-L94 CarbonylContact O-C 3.59Å; E86-L94 WeakPolarHBondContact O-CA 3.46Å; E86-K95 HydrophobicContact CB-CB 4.17Å; E86-K95 HydrophobicContact CB-CG 4.43Å; E86-K95 PolarHBondContact N-O 2.88Å; E86-K95 PolarHBondContact O-N 3.46Å; E86-K95 WeakPolarHBondContact OE1-CE 3.48Å; E86-K95 IonicContact OE1-NZ 3.94Å; E86-K95 PolarHBondContact OE1-NZ 3.19Å; E86-K95 WeakPolarHBondContact OE2-CD 3.39Å; E86-K95 WeakPolarHBondContact OE2-CE 3.48Å; E86-K95 IonicContact OE2-NZ 2.66Å; E86-K95 PolarHBondContact OE2-NZ 2.69Å; E86-F97 HydrophobicContact CB-CE2 3.78Å; E86-F97 HydrophobicContact CB-CZ 4.49Å
87K65Low61Low120 Ų12076.9 Ų76.952%0.52237%0.372SS..EExtended strand (participates in β ladder)trans-108.1113.4173.9-177.6-164.4169.3-151.60108.8E89 L94K87-E89 HydrophobicContact CD-CG 4.31Å; K87-E89 IonicContact NZ-OE1 2.73Å; K87-E89 PolarHBondContact NZ-OE1 2.98Å; K87-E89 PolarHBondContact O-N 3.47Å; K87-L94 HydrophobicContact CB-CD1 4.16Å; K87-L94 HydrophobicContact CG-CD1 4.48Å
88D60.9Low61.9Low30 Ų3072.5 Ų72.516%0.1635%0.348CS..EExtended strand (participates in β ladder)trans-80.5102.2169.5-176-24000108.6F90 R91 S92 Y93D88-F90 VanDerWaalsContact C-N 3.28Å; D88-F90 PolarHBondContact O-N 3.4Å; D88-F90 WeakPolarHBondContact OD1-CA 3.5Å; D88-F90 WeakPolarHBondContact OD1-CB 3.28Å; D88-F90 PolarHBondContact OD1-N 2.87Å; D88-R91 HydrophobicContact CB-CB 4.38Å; D88-R91 PolarHBondContact OD1-N 3.21Å; D88-R91 WeakPolarHBondContact OD2-CB 3.14Å; D88-R91 VanDerWaalsContact OD2-CD 3.28Å; D88-R91 WeakPolarHBondContact OD2-CD 3.36Å; D88-R91 VanDerWaalsContact OD2-CG 3.26Å; D88-R91 WeakPolarHBondContact OD2-CG 3.42Å; D88-R91 IonicContact OD2-NE 2.63Å; D88-S92 WeakPolarHBondContact O-CA 3.47Å; D88-S92 PolarHBondContact O-N 3.04Å; D88-Y93 PolarHBondContact N-O 3.46Å; D88-Y93 PolarHBondContact O-N 2.94Å
89E58.6Low62.6Low141 Ų14172.4 Ų72.466%0.65934%0.342SS*.THydrogen-bonded Turntrans-70.1-23.8-178.8-53.4-149.6118.600113.2K87K87-E89 HydrophobicContact CD-CG 4.31Å; K87-E89 IonicContact NZ-OE1 2.73Å; K87-E89 PolarHBondContact NZ-OE1 2.98Å; K87-E89 PolarHBondContact O-N 3.47Å
90F53.7Low63Low203 Ų20372.4 Ų72.489%0.8934%0.341SS*.THydrogen-bonded Turntrans-79.4-38.2178.6-63.2-80.7000111.8D88D88-F90 VanDerWaalsContact C-N 3.28Å; D88-F90 PolarHBondContact O-N 3.4Å; D88-F90 WeakPolarHBondContact OD1-CA 3.5Å; D88-F90 WeakPolarHBondContact OD1-CB 3.28Å; D88-F90 PolarHBondContact OD1-N 2.87Å
91R58.9Low62.8Low160 Ų16070.5 Ų70.560%0.60433%0.328SS*.THydrogen-bonded Turntrans-96.3-8.9-177.3-59.3-171.9179-147.8-2.7114.2D88 Y93D88-R91 HydrophobicContact CB-CB 4.38Å; D88-R91 PolarHBondContact OD1-N 3.21Å; D88-R91 WeakPolarHBondContact OD2-CB 3.14Å; D88-R91 VanDerWaalsContact OD2-CD 3.28Å; D88-R91 WeakPolarHBondContact OD2-CD 3.36Å; D88-R91 VanDerWaalsContact OD2-CG 3.26Å; D88-R91 WeakPolarHBondContact OD2-CG 3.42Å; D88-R91 IonicContact OD2-NE 2.63Å; R91-Y93 VanDerWaalsContact C-N 3.29Å; R91-Y93 HydrophobicContact CB-CD1 4Å; R91-Y93 HydrophobicContact CB-CD2 3.55Å; R91-Y93 HydrophobicContact CB-CE1 4.11Å; R91-Y93 HydrophobicContact CB-CE2 3.7Å; R91-Y93 HydrophobicContact CB-CG 3.7Å; R91-Y93 HydrophobicContact CG-CD2 4.39Å; R91-Y93 HydrophobicContact CG-CE2 4.32Å; R91-Y93 WeakPolarHBondContact O-CD1 3.2Å; R91-Y93 WeakPolarHBondContact O-CE1 3.39Å
92S63.1Low62.9Low31 Ų3174 Ų7422%0.21734%0.336CS..THydrogen-bonded Turntrans6037.7-170.6-50.70000112.6S36 Q37 D88S36-S92 PolarHBondContact N-O 3.45Å; S36-S92 PolarHBondContact OG-O 3.34Å; S36-S92 VanDerWaalsContact OG-O 3.11Å; Q37-S92 PolarHBondContact NE2-OG 2.9Å; D88-S92 WeakPolarHBondContact O-CA 3.47Å; D88-S92 PolarHBondContact O-N 3.04Å
93Y61.6Low62.7Low77 Ų7778 Ų7830%0.30235%0.347SS..EExtended strand (participates in β ladder)trans-111.2148.9-177.5-59.9-12.8000111.3V33 L34 D88 R91 I133V33-Y93 HydrophobicContact CG1-CD2 4.27Å; V33-Y93 HydrophobicContact CG1-CG 4.39Å; L34-Y93 CarbonylContact O-C 3.53Å; L34-Y93 WeakPolarHBondContact O-CA 3.5Å; D88-Y93 PolarHBondContact N-O 3.46Å; D88-Y93 PolarHBondContact O-N 2.94Å; R91-Y93 VanDerWaalsContact C-N 3.29Å; R91-Y93 HydrophobicContact CB-CD1 4Å; R91-Y93 HydrophobicContact CB-CD2 3.55Å; R91-Y93 HydrophobicContact CB-CE1 4.11Å; R91-Y93 HydrophobicContact CB-CE2 3.7Å; R91-Y93 HydrophobicContact CB-CG 3.7Å; R91-Y93 HydrophobicContact CG-CD2 4.39Å; R91-Y93 HydrophobicContact CG-CE2 4.32Å; R91-Y93 WeakPolarHBondContact O-CD1 3.2Å; R91-Y93 WeakPolarHBondContact O-CE1 3.39Å; Y93-I133 HydrophobicContact CD1-CD1 3.17Å; Y93-I133 HydrophobicContact CD2-CD1 3.99Å; Y93-I133 HydrophobicContact CE1-CD1 3.33Å; Y93-I133 HydrophobicContact CE1-CG1 4.38Å; Y93-I133 HydrophobicContact CE2-CD1 4.1Å; Y93-I133 HydrophobicContact CE2-CG2 4.43Å; Y93-I133 HydrophobicContact CG-CD1 3.55Å
94L61.9Low62.7Low39 Ų3979 Ų7920%0.20435%0.353CS..EExtended strand (participates in β ladder)trans-121.5112177.7-165.476.8000109L34 I85 E86 K87 I96 M130L34-L94 HydrophobicContact CB-CB 4.37Å; L34-L94 PolarHBondContact N-O 2.83Å; L34-L94 PolarHBondContact O-N 3.26Å; I85-L94 HydrophobicContact CG2-CD1 3.45Å; I85-L94 VanDerWaalsContact CG2-CD1 3.45Å; I85-L94 HydrophobicContact CG2-CD2 4.21Å; I85-L94 HydrophobicContact CG2-CG 3.73Å; E86-L94 CarbonylContact O-C 3.59Å; E86-L94 WeakPolarHBondContact O-CA 3.46Å; K87-L94 HydrophobicContact CB-CD1 4.16Å; K87-L94 HydrophobicContact CG-CD1 4.48Å; L94-I96 HydrophobicContact CD2-CD1 4.29Å; L94-I96 HydrophobicContact CD2-CG1 4.26Å; L94-I96 HydrophobicContact CG-CG1 4.43Å; L94-M130 HydrophobicContact CD2-CE 4.48Å; L94-M130 HydrophobicContact CD2-SD 4.31Å
95K66.8Low62.4Low59 Ų5977.1 Ų77.126%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-93.7118.2173-40.1-175-155.4152.50108.7L32 V33 I85 E86 F97L32-K95 WeakPolarHBondContact O-CA 3.33Å; V33-K95 HydrophobicContact CG1-CG 4.39Å; V33-K95 HydrophobicContact CG2-CG 4.15Å; I85-K95 WeakPolarHBondContact CA-O 2.98Å; E86-K95 HydrophobicContact CB-CB 4.17Å; E86-K95 HydrophobicContact CB-CG 4.43Å; E86-K95 PolarHBondContact N-O 2.88Å; E86-K95 PolarHBondContact O-N 3.46Å; E86-K95 WeakPolarHBondContact OE1-CE 3.48Å; E86-K95 IonicContact OE1-NZ 3.94Å; E86-K95 PolarHBondContact OE1-NZ 3.19Å; E86-K95 WeakPolarHBondContact OE2-CD 3.39Å; E86-K95 WeakPolarHBondContact OE2-CE 3.48Å; E86-K95 IonicContact OE2-NZ 2.66Å; E86-K95 PolarHBondContact OE2-NZ 2.69Å; K95-F97 HydrophobicContact CB-CE2 3.78Å; K95-F97 HydrophobicContact CB-CZ 4.18Å; K95-F97 HydrophobicContact CD-CZ 4.45Å
96I65.5Low62.4Low26 Ų2677.3 Ų77.313%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-100.5125.9176.6-56.9-177.6000108.4I30 V31 L32 L34 V82 L94 F98I30-I96 VanDerWaalsContact O-O 3.09Å; V31-I96 WeakPolarHBondContact CA-O 3.44Å; L32-I96 PolarHBondContact N-O 2.9Å; L32-I96 VanDerWaalsContact N-O 3.12Å; L32-I96 PolarHBondContact O-N 3.42Å; L34-I96 HydrophobicContact CD1-CD1 3.64Å; L34-I96 HydrophobicContact CD1-CG1 4.38Å; V82-I96 HydrophobicContact CG1-CG2 3.79Å; V82-I96 HydrophobicContact CG2-CG2 4.06Å; L94-I96 HydrophobicContact CD2-CD1 4.29Å; L94-I96 HydrophobicContact CD2-CG1 4.26Å; L94-I96 HydrophobicContact CG-CG1 4.43Å; I96-F98 HydrophobicContact CG2-CD1 4.17Å
97F66.1Low62.5Low12 Ų1277.5 Ų77.55%0.05335%0.353CS..EExtended strand (participates in β ladder)trans-107.1114.1176.6-57.6-104.3000108.6I30 V31 D83 Y84 E86 K95 Y139I30-F97 WeakPolarHBondContact O-CA 3.32Å; V31-F97 HydrophobicContact CG2-CD1 3.31Å; V31-F97 HydrophobicContact CG2-CE1 3.22Å; V31-F97 HydrophobicContact CG2-CG 4.1Å; V31-F97 HydrophobicContact CG2-CZ 3.97Å; D83-F97 PolarHBondContact N-O 2.93Å; Y84-F97 AromaticContact CD1-CD2 3.58Å; Y84-F97 HydrophobicContact CD1-CD2 3.58Å; Y84-F97 AromaticContact CD1-CE2 3.65Å; Y84-F97 HydrophobicContact CD1-CE2 3.65Å; Y84-F97 HydrophobicContact CD1-CG 4.28Å; Y84-F97 HydrophobicContact CD1-CZ 4.38Å; Y84-F97 HydrophobicContact CE1-CD2 4.47Å; Y84-F97 HydrophobicContact CE1-CE2 4.13Å; Y84-F97 HydrophobicContact CG-CD2 4.24Å; Y84-F97 PolarHBondContact N-O 3.49Å; Y84-F97 PolarHBondContact O-N 2.92Å; E86-F97 HydrophobicContact CB-CE2 3.78Å; E86-F97 HydrophobicContact CB-CZ 4.49Å; K95-F97 HydrophobicContact CB-CE2 3.78Å; K95-F97 HydrophobicContact CB-CZ 4.18Å; K95-F97 HydrophobicContact CD-CZ 4.45Å; F97-Y139 AromaticContact CD1-CD1 3.67Å; F97-Y139 HydrophobicContact CD1-CD1 3.67Å; F97-Y139 AromaticContact CD1-CE1 3.92Å; F97-Y139 HydrophobicContact CD1-CE1 3.92Å; F97-Y139 HydrophobicContact CD1-CG 4.43Å; F97-Y139 AromaticContact CE1-CD1 3.54Å; F97-Y139 HydrophobicContact CE1-CD1 3.54Å; F97-Y139 AromaticContact CE1-CE1 3.4Å; F97-Y139 HydrophobicContact CE1-CE1 3.4Å; F97-Y139 VanDerWaalsContact CE1-CE1 3.4Å; F97-Y139 HydrophobicContact CE1-CG 4.2Å; F97-Y139 AromaticContact CE1-CZ 3.98Å
98F69.1Low62.3Low22 Ų2275.2 Ų75.210%0.09635%0.351CS..EExtended strand (participates in β ladder)trans-137.9161-176.367.9-85.7000113I30 L32 V80 V81 V82 I96 V100 L116I30-F98 HydrophobicContact CB-CD1 4.13Å; I30-F98 HydrophobicContact CB-CD2 4.21Å; I30-F98 HydrophobicContact CB-CE1 3.84Å; I30-F98 HydrophobicContact CB-CE2 3.94Å; I30-F98 HydrophobicContact CB-CG 4.33Å; I30-F98 HydrophobicContact CB-CZ 3.75Å; I30-F98 HydrophobicContact CD1-CD2 4.26Å; I30-F98 HydrophobicContact CD1-CE2 3.74Å; I30-F98 HydrophobicContact CD1-CZ 4.2Å; I30-F98 HydrophobicContact CG1-CE2 4.41Å; I30-F98 HydrophobicContact CG2-CD1 4.36Å; I30-F98 HydrophobicContact CG2-CE1 3.59Å; I30-F98 HydrophobicContact CG2-CE2 4.05Å; I30-F98 HydrophobicContact CG2-CZ 3.41Å; I30-F98 VanDerWaalsContact CG2-CZ 3.41Å; I30-F98 PolarHBondContact N-O 3.24Å; I30-F98 WeakPolarHBondContact O-CD1 3.25Å; I30-F98 PolarHBondContact O-N 3.46Å; L32-F98 HydrophobicContact CB-CE1 4.29Å; V80-F98 HydrophobicContact CG1-CB 4.26Å; V80-F98 HydrophobicContact CG1-CD2 3.75Å; V80-F98 HydrophobicContact CG1-CE2 4.46Å; V80-F98 HydrophobicContact CG1-CG 4.27Å; V81-F98 VanDerWaalsContact O-CA 3.26Å; V81-F98 WeakPolarHBondContact O-CA 3.35Å; V81-F98 WeakPolarHBondContact O-CB 3.37Å; V82-F98 HydrophobicContact CG2-CB 4.28Å; I96-F98 HydrophobicContact CG2-CD1 4.17Å; F98-V100 HydrophobicContact CD2-CG2 4.43Å; F98-V100 HydrophobicContact CE2-CG2 4.46Å; F98-L116 HydrophobicContact CE2-CD1 4.33Å; F98-L116 HydrophobicContact CZ-CD1 3.87Å
99Y67.8Low62.6Low35 Ų3574 Ų7414%0.13735%0.345CS..EExtended strand (participates in β ladder)trans-132.7160.5167.955.6-101000110.1V27 V81 D83 Q101 F106V27-Y99 HydrophobicContact CG1-CD1 3.64Å; V27-Y99 HydrophobicContact CG1-CE1 4.28Å; V27-Y99 HydrophobicContact CG1-CG 4.03Å; V81-Y99 HydrophobicContact CB-CD2 4.01Å; V81-Y99 HydrophobicContact CB-CE1 4.42Å; V81-Y99 HydrophobicContact CB-CE2 3.48Å; V81-Y99 VanDerWaalsContact CB-CE2 3.48Å; V81-Y99 HydrophobicContact CG1-CE1 4.44Å; V81-Y99 HydrophobicContact CG1-CE2 4.04Å; V81-Y99 HydrophobicContact CG2-CD2 4.37Å; V81-Y99 HydrophobicContact CG2-CE2 3.73Å; V81-Y99 PolarHBondContact N-O 3.29Å; V81-Y99 PolarHBondContact O-N 2.85Å; D83-Y99 HydrophobicContact CB-CD1 4.22Å; D83-Y99 HydrophobicContact CB-CE1 3.85Å; D83-Y99 WeakPolarHBondContact OD1-CE1 3.31Å; Y99-Q101 HydrophobicContact CD2-CG 4.02Å; Y99-Q101 HydrophobicContact CE2-CG 4.01Å; Y99-F106 HydrophobicContact CD1-CE1 4.44Å; Y99-F106 AromaticContact CD2-CD1 3.73Å; Y99-F106 HydrophobicContact CD2-CD1 3.73Å; Y99-F106 AromaticContact CD2-CE1 3.53Å; Y99-F106 HydrophobicContact CD2-CE1 3.53Å; Y99-F106 HydrophobicContact CE1-CE1 4.4Å; Y99-F106 HydrophobicContact CE2-CD1 4.13Å; Y99-F106 AromaticContact CE2-CE1 3.47Å; Y99-F106 HydrophobicContact CE2-CE1 3.47Å; Y99-F106 VanDerWaalsContact CE2-CE1 3.47Å; Y99-F106 HydrophobicContact CE2-CZ 4.33Å; Y99-F106 HydrophobicContact CG-CD1 4.19Å; Y99-F106 HydrophobicContact CG-CE1 4.04Å; Y99-F106 AromaticContact CZ-CE1 3.95Å
100V64.1Low63Low20 Ų2070.6 Ų70.612%0.12133%0.334CS..EExtended strand (participates in β ladder)trans-115.5127.4177-172.30000109.3V80 F98 Q107 I112V80-V100 HydrophobicContact CG2-CG2 4.1Å; F98-V100 HydrophobicContact CD2-CG2 4.43Å; F98-V100 HydrophobicContact CE2-CG2 4.46Å; V100-Q107 PolarHBondContact O-N 3.13Å; V100-I112 HydrophobicContact CB-CD1 3.65Å; V100-I112 HydrophobicContact CG2-CD1 3.78Å; V100-I112 HydrophobicContact CG2-CG1 4.48Å; V100-I112 HydrophobicContact CG2-CG2 4.11Å
101Q61.3Low63.4Low27 Ų2763.8 Ų63.813%0.12631%0.312CS..EExtended strand (participates in β ladder)trans-106.6134.5169.9-61.8-178.7-100109.5S78 S79 Y99 V105 F106S78-Q101 CarbonylContact C-O 3.55Å; S78-Q101 VanDerWaalsContact CA-O 3.23Å; S78-Q101 WeakPolarHBondContact CA-O 3.26Å; S79-Q101 PolarHBondContact N-O 2.99Å; S79-Q101 PolarHBondContact O-N 3.36Å; Y99-Q101 HydrophobicContact CD2-CG 4.02Å; Y99-Q101 HydrophobicContact CE2-CG 4.01Å; Q101-V105 CarbonylContact C-O 3.59Å; Q101-V105 WeakPolarHBondContact CA-O 3.35Å; Q101-F106 HydrophobicContact CG-CD1 3.94Å; Q101-F106 HydrophobicContact CG-CE1 4.16Å; Q101-F106 HydrophobicContact CG-CG 4.22Å
102R62Low63.8Low119 Ų11957 Ų5745%0.44929%0.288SS..EExtended strand (participates in β ladder)trans-115.3120.5173.6-167.6176.1-172.3-171.43.5108.6V76 N77 N104 V105 Q107V76-R102 HydrophobicContact CG1-CG 4.43Å; V76-R102 VanDerWaalsContact CG1-NH2 3.31Å; N77-R102 CarbonylContact O-C 3.54Å; N77-R102 WeakPolarHBondContact O-CA 3.4Å; R102-N104 VanDerWaalsContact C-N 3.28Å; R102-N104 PolarHBondContact O-N 3.27Å; R102-V105 PolarHBondContact N-O 3.49Å; R102-V105 WeakPolarHBondContact O-CB 3.41Å; R102-V105 PolarHBondContact O-N 3.5Å; R102-Q107 VanDerWaalsContact CB-CD 3.48Å; R102-Q107 HydrophobicContact CB-CG 3.58Å
103K61.7Low64.1Low158 Ų15856.3 Ų56.369%0.68728%0.282SS*.THydrogen-bonded Turntrans5044.2-173.2-58.2-177.7177.9-177.60113.2N77 V105N77-K103 HydrophobicContact CB-CG 4.5Å; N77-K103 PolarHBondContact O-N 3.26Å; K103-V105 PolarHBondContact O-N 3.35Å
104N59.1Low64.3Low104 Ų10460.3 Ų60.356%0.55630%0.298SS*.THydrogen-bonded Turntrans66.76.8-173.6-56.2-69.9000116.4R102 R352R102-N104 VanDerWaalsContact C-N 3.28Å; R102-N104 PolarHBondContact O-N 3.27Å; N104-R352 VanDerWaalsContact CG-NH2 3.27Å; N104-R352 PolarHBondContact OD1-NH2 3.49Å
105V55.7Low64.6Low92 Ų9264.4 Ų64.456%0.55832%0.316SS*.EExtended strand (participates in β ladder)trans-103.8122.8175.6-175.30000109.2Q101 R102 K103 Q107Q101-V105 CarbonylContact C-O 3.59Å; Q101-V105 WeakPolarHBondContact CA-O 3.35Å; R102-V105 PolarHBondContact N-O 3.49Å; R102-V105 WeakPolarHBondContact O-CB 3.41Å; R102-V105 PolarHBondContact O-N 3.5Å; K103-V105 PolarHBondContact O-N 3.35Å; V105-Q107 PolarHBondContact O-N 3Å
106F65.5Low64.7Low93 Ų9363.2 Ų63.241%0.40831%0.312SS..EExtended strand (participates in β ladder)trans-53.5131173-66.1-92.6000110.4V27 Y99 Q101V27-F106 HydrophobicContact CG1-CD1 4.48Å; V27-F106 HydrophobicContact CG1-CE1 4.26Å; V27-F106 HydrophobicContact CG2-CD1 4.48Å; V27-F106 HydrophobicContact CG2-CE1 4.06Å; V27-F106 HydrophobicContact CG2-CZ 4.34Å; Y99-F106 HydrophobicContact CD1-CE1 4.44Å; Y99-F106 AromaticContact CD2-CD1 3.73Å; Y99-F106 HydrophobicContact CD2-CD1 3.73Å; Y99-F106 AromaticContact CD2-CE1 3.53Å; Y99-F106 HydrophobicContact CD2-CE1 3.53Å; Y99-F106 HydrophobicContact CE1-CE1 4.4Å; Y99-F106 HydrophobicContact CE2-CD1 4.13Å; Y99-F106 AromaticContact CE2-CE1 3.47Å; Y99-F106 HydrophobicContact CE2-CE1 3.47Å; Y99-F106 VanDerWaalsContact CE2-CE1 3.47Å; Y99-F106 HydrophobicContact CE2-CZ 4.33Å; Y99-F106 HydrophobicContact CG-CD1 4.19Å; Y99-F106 HydrophobicContact CG-CE1 4.04Å; Y99-F106 AromaticContact CZ-CE1 3.95Å; Q101-F106 HydrophobicContact CG-CD1 3.94Å; Q101-F106 HydrophobicContact CG-CE1 4.16Å; Q101-F106 HydrophobicContact CG-CG 4.22Å
107Q63.4Low65.1Low59 Ų5964.6 Ų64.628%0.27632%0.32SS..PPolyproline II helixtrans-90145.5175.5-65-63.3-96.800109.9V100 R102 V105 S109 I112V100-Q107 PolarHBondContact O-N 3.13Å; R102-Q107 VanDerWaalsContact CB-CD 3.48Å; R102-Q107 HydrophobicContact CB-CG 3.58Å; V105-Q107 PolarHBondContact O-N 3Å; Q107-S109 PolarHBondContact O-N 3.22Å; Q107-I112 HydrophobicContact CB-CD1 3.93Å; Q107-I112 HydrophobicContact CB-CG1 4.28Å
108P61.7Low65.3Low73 Ų7369.9 Ų69.947%0.47435%0.345SS..PPolyproline II helixtrans-67.8116.9-17826.1-33.5000111.2P110 S111 I112P108-P110 VanDerWaalsContact C-CD 3.46Å; P108-S111 WeakPolarHBondContact O-CB 3.42Å; P108-S111 PolarHBondContact O-N 3.09Å; P108-I112 PolarHBondContact O-N 3.3Å
109S68Low65.1Low4 Ų471.4 Ų71.43%0.02835%0.353CS..Hα-helixtrans-59-32.3-176.1-55.30000116F28 Q107 S111 I112 V113F28-S109 WeakPolarHBondContact O-CB 3.36Å; F28-S109 PolarHBondContact O-OG 3.24Å; Q107-S109 PolarHBondContact O-N 3.22Å; S109-S111 PolarHBondContact O-N 2.95Å; S109-I112 PolarHBondContact O-N 3.19Å; S109-V113 VanDerWaalsContact O-CB 3.26Å; S109-V113 WeakPolarHBondContact O-CB 3.42Å; S109-V113 VanDerWaalsContact O-CG2 3.31Å; S109-V113 WeakPolarHBondContact O-CG2 3.48Å; S109-V113 PolarHBondContact O-N 3.1Å
110P65.3Low65.2Low69 Ų6972.4 Ų72.445%0.44836%0.364SS..Hα-helixtrans-55.1-37.5168.2-27.435.4000113.5P108 Y114 V138P108-P110 VanDerWaalsContact C-CD 3.46Å; P110-Y114 VanDerWaalsContact O-CB 3.25Å; P110-Y114 WeakPolarHBondContact O-CB 3.29Å; P110-Y114 PolarHBondContact O-N 3.12Å; P110-V138 HydrophobicContact CB-CG2 4.42Å; P110-V138 HydrophobicContact CG-CG2 4.12Å
111S63.1Low65Low61 Ų6172.3 Ų72.343%0.42737%0.368SS..Hα-helixtrans-74.1-36.6178.2-53.20000112.6P108 S109 Q115P108-S111 WeakPolarHBondContact O-CB 3.42Å; P108-S111 PolarHBondContact O-N 3.09Å; S109-S111 PolarHBondContact O-N 2.95Å; S111-Q115 WeakPolarHBondContact O-CG 3.46Å; S111-Q115 PolarHBondContact O-N 3.06Å
112I67.6Low64.9Low17 Ų1775.7 Ų75.79%0.08739%0.386CS..Hα-helixtrans-68.4-46175.7-54.2162.1000109.9I30 V100 Q107 P108 S109 Y114 Q115 L116I30-I112 HydrophobicContact CD1-CB 3.63Å; I30-I112 HydrophobicContact CD1-CD1 3.82Å; I30-I112 HydrophobicContact CD1-CG1 4.36Å; I30-I112 HydrophobicContact CD1-CG2 3.47Å; I30-I112 VanDerWaalsContact CD1-CG2 3.47Å; V100-I112 HydrophobicContact CB-CD1 3.65Å; V100-I112 HydrophobicContact CG2-CD1 3.78Å; V100-I112 HydrophobicContact CG2-CG1 4.48Å; V100-I112 HydrophobicContact CG2-CG2 4.11Å; Q107-I112 HydrophobicContact CB-CD1 3.93Å; Q107-I112 HydrophobicContact CB-CG1 4.28Å; P108-I112 PolarHBondContact O-N 3.3Å; S109-I112 PolarHBondContact O-N 3.19Å; I112-Y114 VanDerWaalsContact C-N 3.31Å; I112-Y114 PolarHBondContact O-N 3Å; I112-Q115 PolarHBondContact O-N 3.33Å; I112-L116 HydrophobicContact CG2-CD1 3.98Å; I112-L116 HydrophobicContact CG2-CG 4.34Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 2.96Å
113V68.4Low64.6Low17 Ų1774.1 Ų74.110%0.10338%0.381CS..Hα-helixtrans-61.8-38.3176.1164.80000111.2I30 S109 N117 P136 V138I30-V113 HydrophobicContact CB-CG2 4.44Å; I30-V113 HydrophobicContact CD1-CG2 4.2Å; I30-V113 HydrophobicContact CG1-CG2 3.97Å; I30-V113 HydrophobicContact CG2-CG2 3.74Å; S109-V113 VanDerWaalsContact O-CB 3.26Å; S109-V113 WeakPolarHBondContact O-CB 3.42Å; S109-V113 VanDerWaalsContact O-CG2 3.31Å; S109-V113 WeakPolarHBondContact O-CG2 3.48Å; S109-V113 PolarHBondContact O-N 3.1Å; V113-N117 WeakPolarHBondContact CG1-ND2 3.43Å; V113-N117 VanDerWaalsContact O-CB 3.29Å; V113-N117 WeakPolarHBondContact O-CB 3.28Å; V113-N117 PolarHBondContact O-N 2.72Å; V113-N117 PolarHBondContact O-ND2 3.02Å; V113-P136 WeakPolarHBondContact CG1-O 3.42Å; V113-V138 HydrophobicContact CB-CG2 4.01Å; V113-V138 HydrophobicContact CG1-CG2 4.28Å; V113-V138 HydrophobicContact CG2-CG2 3.76Å
114Y66.9Low64.6Low161 Ų16167.4 Ų67.463%0.63135%0.352SS*.Hα-helixtrans-62.3-45.7172.4179.9-111.9000112.2P110 I112 N117 Q118P110-Y114 VanDerWaalsContact O-CB 3.25Å; P110-Y114 WeakPolarHBondContact O-CB 3.29Å; P110-Y114 PolarHBondContact O-N 3.12Å; I112-Y114 VanDerWaalsContact C-N 3.31Å; I112-Y114 PolarHBondContact O-N 3Å; Y114-N117 PolarHBondContact O-N 2.89Å; Y114-Q118 PolarHBondContact O-N 2.94Å
115Q67.9Low64.2Low124 Ų12463.3 Ų63.358%0.57933%0.333SS*.Hα-helixtrans-62.7-47.3176-73170.2-5.400112.2S111 I112 N117 Q118S111-Q115 WeakPolarHBondContact O-CG 3.46Å; S111-Q115 PolarHBondContact O-N 3.06Å; I112-Q115 PolarHBondContact O-N 3.33Å; Q115-N117 VanDerWaalsContact C-N 3.27Å; Q115-N117 PolarHBondContact O-N 2.95Å; Q115-Q118 WeakPolarHBondContact O-CB 3.49Å; Q115-Q118 PolarHBondContact O-N 3.32Å
116L69.3Low63.9Low35 Ų3564 Ų6418%0.18333%0.332CS..Hα-helixtrans-64.8-30178.6-67.4171.7000112.6F98 I112 I119 L124 P136F98-L116 HydrophobicContact CE2-CD1 4.33Å; F98-L116 HydrophobicContact CZ-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CD1 3.98Å; I112-L116 HydrophobicContact CG2-CG 4.34Å; I112-L116 WeakPolarHBondContact O-CG 3.39Å; I112-L116 PolarHBondContact O-N 2.96Å; L116-I119 HydrophobicContact CD2-CD1 4.3Å; L116-I119 WeakPolarHBondContact O-CB 3.36Å; L116-I119 PolarHBondContact O-N 2.94Å; L116-L124 HydrophobicContact CD2-CD1 4.09Å; L116-P136 HydrophobicContact CB-CB 4.43Å; L116-P136 HydrophobicContact CB-CG 3.52Å; L116-P136 HydrophobicContact CD1-CB 4.08Å; L116-P136 HydrophobicContact CD1-CG 4Å; L116-P136 HydrophobicContact CG-CG 4.4Å
117N72.1Confident63.4Low55 Ų5567.3 Ų67.329%0.29434%0.343SS..Hα-helixtrans-78.6-15.4176.7-81.6-58000114.3V113 Y114 Q115 I119 R135 P136V113-N117 WeakPolarHBondContact CG1-ND2 3.43Å; V113-N117 VanDerWaalsContact O-CB 3.29Å; V113-N117 WeakPolarHBondContact O-CB 3.28Å; V113-N117 PolarHBondContact O-N 2.72Å; V113-N117 PolarHBondContact O-ND2 3.02Å; Y114-N117 PolarHBondContact O-N 2.89Å; Q115-N117 VanDerWaalsContact C-N 3.27Å; Q115-N117 PolarHBondContact O-N 2.95Å; N117-I119 VanDerWaalsContact C-N 3.28Å; N117-R135 PolarHBondContact O-NH1 3.06Å; N117-R135 WeakPolarHBondContact OD1-CB 3.39Å; N117-R135 WeakPolarHBondContact OD1-CD 3.5Å; N117-P136 PolarHBondContact ND2-O 2.91Å
118Q71.1Confident63.3Low123 Ų12367.9 Ų67.958%0.57535%0.347SS*.Hα-helixtrans-71.1-26.3166.7-67.1172.710.800111.9Y114 Q115Y114-Q118 PolarHBondContact O-N 2.94Å; Q115-Q118 WeakPolarHBondContact O-CB 3.49Å; Q115-Q118 PolarHBondContact O-N 3.32Å
119I65.5Low62.7Low53 Ų5367.4 Ų67.427%0.27236%0.356SS..SBendtrans-71.4132.7173.7-52.1177.1000108.2L116 N117 W123 L124 R135L116-I119 HydrophobicContact CD2-CD1 4.3Å; L116-I119 WeakPolarHBondContact O-CB 3.36Å; L116-I119 PolarHBondContact O-N 2.94Å; N117-I119 VanDerWaalsContact C-N 3.28Å; I119-W123 HydrophobicContact CG2-CB 3.67Å; I119-L124 HydrophobicContact CD1-CD1 4.4Å; I119-L124 HydrophobicContact CG2-CB 4.02Å; I119-R135 PolarHBondContact O-NH1 3.38Å
120P69.3Low62.2Low56 Ų5670.2 Ų70.236%0.36437%0.37SS..  trans-61.9148.2172.1-21.232.5000111.3D122 W123 L124P120-D122 VanDerWaalsContact C-N 3.27Å; P120-D122 PolarHBondContact O-N 2.8Å; P120-W123 HydrophobicContact CB-CB 4.49Å; P120-W123 HydrophobicContact CB-CG 4.34Å; P120-W123 HydrophobicContact CG-CG 4.22Å; P120-W123 WeakPolarHBondContact O-CB 3.29Å; P120-W123 PolarHBondContact O-N 3.25Å; P120-W123 VanDerWaalsContact O-N 3.11Å; P120-L124 PolarHBondContact O-N 3.48Å; P120-L124 VanDerWaalsContact O-N 3.09Å
121G61Low61.7Low19 Ų1968.9 Ų68.920%0.19636%0.361CS..Hα-helixtrans-54.9-43.5-176.700000112.7W123 L124 A125G121-W123 VanDerWaalsContact C-N 3.34Å; G121-W123 PolarHBondContact O-N 3.09Å; G121-L124 PolarHBondContact O-N 3.36Å; G121-A125 WeakPolarHBondContact O-CB 3.36Å; G121-A125 PolarHBondContact O-N 2.93Å
122D58.7Low61.7Low97 Ų9767.7 Ų67.752%0.51935%0.349SS..Hα-helixtrans-63-39.5-179.7-35.4-44000112.1P120 A125 I126P120-D122 VanDerWaalsContact C-N 3.27Å; P120-D122 PolarHBondContact O-N 2.8Å; D122-A125 PolarHBondContact O-N 2.82Å; D122-I126 WeakPolarHBondContact O-CB 3.45Å; D122-I126 WeakPolarHBondContact O-CD1 3.36Å; D122-I126 WeakPolarHBondContact O-CG1 3.41Å; D122-I126 PolarHBondContact O-N 2.85Å
123W56.1Low61.8Low87 Ų8770.2 Ų70.233%0.3336%0.363SS..Hα-helixtrans-66.9-45.2177-75.563.1000111.1I55 I119 P120 G121 A125 I126 Y127I55-W123 HydrophobicContact CB-CZ2 4.41Å; I55-W123 HydrophobicContact CD1-CH2 4.24Å; I55-W123 HydrophobicContact CD1-CZ2 3.61Å; I55-W123 HydrophobicContact CG1-CZ2 3.87Å; I55-W123 HydrophobicContact CG2-CH2 3.88Å; I55-W123 HydrophobicContact CG2-CZ2 3.63Å; I119-W123 HydrophobicContact CG2-CB 3.67Å; P120-W123 HydrophobicContact CB-CB 4.49Å; P120-W123 HydrophobicContact CB-CG 4.34Å; P120-W123 HydrophobicContact CG-CG 4.22Å; P120-W123 WeakPolarHBondContact O-CB 3.29Å; P120-W123 PolarHBondContact O-N 3.25Å; P120-W123 VanDerWaalsContact O-N 3.11Å; G121-W123 VanDerWaalsContact C-N 3.34Å; G121-W123 PolarHBondContact O-N 3.09Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3.22Å; W123-I126 PolarHBondContact O-N 2.93Å; W123-Y127 HydrophobicContact CE3-CE2 4.2Å; W123-Y127 WeakPolarHBondContact O-CD2 3.33Å; W123-Y127 PolarHBondContact O-N 3.3Å
124L60.2Low61.9Low16 Ų1673.2 Ų73.28%0.08438%0.375CS..Hα-helixtrans-66.5-33.4178.1-169.661.7000111.2L32 L116 I119 P120 G121 Y127 L128 I132 P136L32-L124 HydrophobicContact CD1-CD2 4.45Å; L116-L124 HydrophobicContact CD2-CD1 4.09Å; I119-L124 HydrophobicContact CD1-CD1 4.4Å; I119-L124 HydrophobicContact CG2-CB 4.02Å; P120-L124 PolarHBondContact O-N 3.48Å; P120-L124 VanDerWaalsContact O-N 3.09Å; G121-L124 PolarHBondContact O-N 3.36Å; L124-Y127 PolarHBondContact O-N 3.27Å; L124-L128 HydrophobicContact CD1-CD1 4.42Å; L124-L128 HydrophobicContact CG-CD1 4.22Å; L124-L128 WeakPolarHBondContact O-CB 3.27Å; L124-L128 WeakPolarHBondContact O-CD1 3.43Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.34Å; L124-L128 PolarHBondContact O-N 3.43Å; L124-I132 HydrophobicContact CB-CD1 3.5Å; L124-I132 VanDerWaalsContact CB-CD1 3.5Å; L124-I132 HydrophobicContact CD2-CD1 3.76Å; L124-I132 HydrophobicContact CG-CD1 3.48Å; L124-I132 VanDerWaalsContact CG-CD1 3.48Å; L124-P136 HydrophobicContact CD2-CG 4.11Å
125A52Low62.2Low18 Ų1871 Ų7115%0.14937%0.366CS..Hα-helixtrans-66.1-42.3172.100000112.2G121 D122 W123 L128 G129 M130 I132G121-A125 WeakPolarHBondContact O-CB 3.36Å; G121-A125 PolarHBondContact O-N 2.93Å; D122-A125 PolarHBondContact O-N 2.82Å; W123-A125 VanDerWaalsContact C-N 3.28Å; W123-A125 PolarHBondContact O-N 3.22Å; A125-L128 PolarHBondContact O-N 3.29Å; A125-G129 PolarHBondContact O-N 2.92Å; A125-M130 VanDerWaalsContact CA-O 3.29Å; A125-M130 WeakPolarHBondContact CA-O 3.33Å; A125-M130 VanDerWaalsContact CB-O 3.3Å; A125-M130 WeakPolarHBondContact CB-O 3.48Å; A125-M130 PolarHBondContact O-N 3.19Å; A125-I132 HydrophobicContact CB-CD1 4.2Å; A125-I132 HydrophobicContact CB-CG1 4.07Å
126I49.1Very low62.6Low107 Ų10765.2 Ų65.255%0.54934%0.339SS..Hα-helixtrans-61.7-44.3173.9-71.4162.3000111.1D122 W123 L128 G129D122-I126 WeakPolarHBondContact O-CB 3.45Å; D122-I126 WeakPolarHBondContact O-CD1 3.36Å; D122-I126 WeakPolarHBondContact O-CG1 3.41Å; D122-I126 PolarHBondContact O-N 2.85Å; W123-I126 PolarHBondContact O-N 2.93Å; I126-L128 PolarHBondContact O-N 3.06Å; I126-G129 PolarHBondContact O-N 3.21Å
127Y55.6Low62.8Low163 Ų16369 Ų6964%0.63935%0.354SS*.Hα-helixtrans-64.3-21.9177.4-76.3-58.9000114W123 L124W123-Y127 HydrophobicContact CE3-CE2 4.2Å; W123-Y127 WeakPolarHBondContact O-CD2 3.33Å; W123-Y127 PolarHBondContact O-N 3.3Å; L124-Y127 PolarHBondContact O-N 3.27Å
128L61.2Low62.6Low70 Ų7068.9 Ų68.937%0.36636%0.355SS..Hα-helixtrans-105.6-8.3-178.7-66.1170.3000113.9L32 L34 L124 A125 I126 M130 I132L32-L128 HydrophobicContact CD2-CD1 3.27Å; L34-L128 HydrophobicContact CD2-CD1 4.24Å; L124-L128 HydrophobicContact CD1-CD1 4.42Å; L124-L128 HydrophobicContact CG-CD1 4.22Å; L124-L128 WeakPolarHBondContact O-CB 3.27Å; L124-L128 WeakPolarHBondContact O-CD1 3.43Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.34Å; L124-L128 PolarHBondContact O-N 3.43Å; A125-L128 PolarHBondContact O-N 3.29Å; I126-L128 PolarHBondContact O-N 3.06Å; L128-M130 PolarHBondContact O-N 3.42Å; L128-I132 HydrophobicContact CD1-CD1 4.34Å
129G48.2Very low62.3Low64 Ų6467.7 Ų67.766%0.6635%0.346SS*.THydrogen-bonded Turntrans66.714.4-175.600000114.8A125 I126A125-G129 PolarHBondContact O-N 2.92Å; I126-G129 PolarHBondContact O-N 3.21Å
130M57.9Low61.9Low62 Ų6267.9 Ų67.931%0.30535%0.348SS..SBendtrans-142141-175.1-77-178-87.900111.4L34 L94 A125 L128 I132L34-M130 HydrophobicContact CB-CB 4.18Å; L34-M130 HydrophobicContact CB-SD 4.25Å; L34-M130 HydrophobicContact CD1-CB 4.12Å; L34-M130 HydrophobicContact CD1-CE 3.6Å; L34-M130 HydrophobicContact CD1-SD 3.9Å; L34-M130 HydrophobicContact CD2-CB 4.41Å; L34-M130 HydrophobicContact CG-CB 4.48Å; L94-M130 HydrophobicContact CD2-CE 4.48Å; L94-M130 HydrophobicContact CD2-SD 4.31Å; A125-M130 VanDerWaalsContact CA-O 3.29Å; A125-M130 WeakPolarHBondContact CA-O 3.33Å; A125-M130 VanDerWaalsContact CB-O 3.3Å; A125-M130 WeakPolarHBondContact CB-O 3.48Å; A125-M130 PolarHBondContact O-N 3.19Å; L128-M130 PolarHBondContact O-N 3.42Å; M130-I132 PolarHBondContact O-N 2.63Å
131P54.9Low61.1Low41 Ų4169 Ų6927%0.26635%0.35SS..  trans-62.8136.1175.2-16.629000111.4L34 S35 P39L34-P131 CarbonylContact C-O 3.53Å; L34-P131 VanDerWaalsContact CA-O 3.31Å; L34-P131 WeakPolarHBondContact CA-O 3.38Å; S35-P131 PolarHBondContact N-O 3.09Å; P39-P131 HydrophobicContact CB-CG 4.33Å; P39-P131 HydrophobicContact CG-CG 4.11Å
132I63.8Low60.2Low36 Ų3669.9 Ų69.919%0.18536%0.359CS..EExtended strand (participates in β ladder)trans-92.5126.4176.5-63.6171000109.1L32 L34 L124 A125 L128 M130 E134L32-I132 HydrophobicContact CD1-CD1 4.42Å; L32-I132 HydrophobicContact CD1-CG2 4.07Å; L34-I132 HydrophobicContact CD2-CB 4.37Å; L34-I132 HydrophobicContact CD2-CG1 3.56Å; L124-I132 HydrophobicContact CB-CD1 3.5Å; L124-I132 VanDerWaalsContact CB-CD1 3.5Å; L124-I132 HydrophobicContact CD2-CD1 3.76Å; L124-I132 HydrophobicContact CG-CD1 3.48Å; L124-I132 VanDerWaalsContact CG-CD1 3.48Å; A125-I132 HydrophobicContact CB-CD1 4.2Å; A125-I132 HydrophobicContact CB-CG1 4.07Å; L128-I132 HydrophobicContact CD1-CD1 4.34Å; M130-I132 PolarHBondContact O-N 2.63Å; I132-E134 VanDerWaalsContact CG2-O 3.27Å; I132-E134 WeakPolarHBondContact CG2-O 3.35Å
133I68.1Low59.3Low71 Ų7168.8 Ų68.836%0.36436%0.363SS..EExtended strand (participates in β ladder)trans-94.6-47.6176.1-58.8153.6000109.4V33 Y93V33-I133 HydrophobicContact CG1-CB 4.39Å; V33-I133 HydrophobicContact CG1-CD1 4.23Å; V33-I133 PolarHBondContact O-N 3.18Å; Y93-I133 HydrophobicContact CD1-CD1 3.17Å; Y93-I133 HydrophobicContact CD2-CD1 3.99Å; Y93-I133 HydrophobicContact CE1-CD1 3.33Å; Y93-I133 HydrophobicContact CE1-CG1 4.38Å; Y93-I133 HydrophobicContact CE2-CD1 4.1Å; Y93-I133 HydrophobicContact CE2-CG2 4.43Å; Y93-I133 HydrophobicContact CG-CD1 3.55Å
134E70.5Confident58.6Low79 Ų7973.5 Ų73.537%0.36938%0.382SS..EExtended strand (participates in β ladder)trans-118.1124.2173.2-59.7-167.2-143.500110.5L32 V33 I132 K137L32-E134 WeakPolarHBondContact CD1-O 3.4Å; V33-E134 HydrophobicContact CB-CB 3.88Å; V33-E134 HydrophobicContact CB-CG 4.15Å; V33-E134 HydrophobicContact CG2-CB 3.91Å; V33-E134 HydrophobicContact CG2-CG 4.15Å; V33-E134 PolarHBondContact N-O 2.86Å; V33-E134 PolarHBondContact O-N 2.94Å; I132-E134 VanDerWaalsContact CG2-O 3.27Å; I132-E134 WeakPolarHBondContact CG2-O 3.35Å; E134-K137 WeakPolarHBondContact OE2-CE 3.44Å; E134-K137 IonicContact OE2-NZ 2.64Å; E134-K137 PolarHBondContact OE2-NZ 2.98Å
135R74.2Confident57.9Low115 Ų11579.6 Ų79.643%0.43441%0.41SS..EExtended strand (participates in β ladder)trans-54.2151.8168.7-81.3-175.2175.5-116.46.9111N117 I119 K137N117-R135 PolarHBondContact O-NH1 3.06Å; N117-R135 WeakPolarHBondContact OD1-CB 3.39Å; N117-R135 WeakPolarHBondContact OD1-CD 3.5Å; I119-R135 PolarHBondContact O-NH1 3.38Å; R135-K137 PolarHBondContact O-N 3.44Å
136P74.9Confident57.6Low3 Ų384.1 Ų84.12%0.01943%0.426CS..EExtended strand (participates in β ladder)trans-61.6134-173.320.1-27000111.6I30 V31 L32 V113 L116 N117 L124I30-P136 HydrophobicContact CG2-CB 3.91Å; V31-P136 VanDerWaalsContact O-CA 3.28Å; V31-P136 WeakPolarHBondContact O-CA 3.36Å; L32-P136 HydrophobicContact CD1-CB 3.95Å; L32-P136 HydrophobicContact CD1-CG 4.12Å; V113-P136 WeakPolarHBondContact CG1-O 3.42Å; L116-P136 HydrophobicContact CB-CB 4.43Å; L116-P136 HydrophobicContact CB-CG 3.52Å; L116-P136 HydrophobicContact CD1-CB 4.08Å; L116-P136 HydrophobicContact CD1-CG 4Å; L116-P136 HydrophobicContact CG-CG 4.4Å; N117-P136 PolarHBondContact ND2-O 2.91Å; L124-P136 HydrophobicContact CD2-CG 4.11Å
137K74.3Confident57.7Low113 Ų11387 Ų8749%0.49144%0.438SS..EExtended strand (participates in β ladder)trans-122.9151.1179.5-70.7170.2-177.7174.80109.9I30 V31 E134 R135 Y139I30-K137 WeakPolarHBondContact CA-O 3.21Å; V31-K137 PolarHBondContact N-O 2.8Å; V31-K137 PolarHBondContact O-N 2.96Å; E134-K137 WeakPolarHBondContact OE2-CE 3.44Å; E134-K137 IonicContact OE2-NZ 2.64Å; E134-K137 PolarHBondContact OE2-NZ 2.98Å; R135-K137 PolarHBondContact O-N 3.44Å; K137-Y139 PolarHBondContact O-N 3.34Å
138V68.3Low57.5Low54 Ų5484 Ų8433%0.32743%0.433SS..EExtended strand (participates in β ladder)trans-72.9123.3166-177.50000107.5F28 P110 V113F28-V138 HydrophobicContact CB-CG1 3.96Å; F28-V138 HydrophobicContact CD1-CG1 3.78Å; F28-V138 HydrophobicContact CG-CG1 4.18Å; P110-V138 HydrophobicContact CB-CG2 4.42Å; P110-V138 HydrophobicContact CG-CG2 4.12Å; V113-V138 HydrophobicContact CB-CG2 4.01Å; V113-V138 HydrophobicContact CG1-CG2 4.28Å; V113-V138 HydrophobicContact CG2-CG2 3.76Å
139Y64.2Low57.3Low97 Ų9786.3 Ų86.338%0.3845%0.445SS..EExtended strand (participates in β ladder)trans-107.9108.2177.4-172.1-113000108.8W29 V31 F97 K137 I141W29-Y139 HydrophobicContact CB-CD1 4.39Å; W29-Y139 PolarHBondContact N-O 3.25Å; W29-Y139 PolarHBondContact O-N 3.19Å; V31-Y139 HydrophobicContact CB-CG 4.49Å; V31-Y139 VanDerWaalsContact CG2-CB 3.46Å; V31-Y139 HydrophobicContact CG2-CD1 3.94Å; V31-Y139 HydrophobicContact CG2-CD2 3.95Å; V31-Y139 HydrophobicContact CG2-CG 3.52Å; F97-Y139 AromaticContact CD1-CD1 3.67Å; F97-Y139 HydrophobicContact CD1-CD1 3.67Å; F97-Y139 AromaticContact CD1-CE1 3.92Å; F97-Y139 HydrophobicContact CD1-CE1 3.92Å; F97-Y139 HydrophobicContact CD1-CG 4.43Å; F97-Y139 AromaticContact CE1-CD1 3.54Å; F97-Y139 HydrophobicContact CE1-CD1 3.54Å; F97-Y139 AromaticContact CE1-CE1 3.4Å; F97-Y139 HydrophobicContact CE1-CE1 3.4Å; F97-Y139 VanDerWaalsContact CE1-CE1 3.4Å; F97-Y139 HydrophobicContact CE1-CG 4.2Å; F97-Y139 AromaticContact CE1-CZ 3.98Å; K137-Y139 PolarHBondContact O-N 3.34Å; Y139-I141 HydrophobicContact CD1-CD1 3.26Å; Y139-I141 HydrophobicContact CE1-CD1 3.22Å; Y139-I141 HydrophobicContact CE1-CG1 4.36Å; Y139-I141 HydrophobicContact CG-CD1 4.35Å
140D58.2Low57.9Low57 Ų5787.7 Ų87.731%0.30543%0.433SS..  trans-99.4113-179.8-168-4.9000110F28 G142 A143F28-D140 HydrophobicContact CD1-CB 4.29Å; F28-D140 HydrophobicContact CE1-CB 4.37Å; D140-G142 PolarHBondContact O-N 2.74Å; D140-G142 WeakPolarHBondContact OD1-CA 3.18Å; D140-G142 PolarHBondContact OD1-N 3.3Å; D140-A143 HydrophobicContact CB-CB 4.05Å; D140-A143 WeakPolarHBondContact O-CB 3.37Å; D140-A143 PolarHBondContact O-N 3.1Å
141I51.5Low58.5Low81 Ų8190 Ų9042%0.41545%0.446SS..G310 helixtrans-65.2-19.6173.4-83.850.7000110.7W29 Y139 A143W29-I141 HydrophobicContact CD2-CD1 4.04Å; W29-I141 HydrophobicContact CE3-CB 4.22Å; W29-I141 HydrophobicContact CE3-CD1 3.33Å; W29-I141 HydrophobicContact CE3-CG1 3.75Å; W29-I141 HydrophobicContact CH2-CG1 4.17Å; W29-I141 HydrophobicContact CZ3-CB 3.74Å; W29-I141 HydrophobicContact CZ3-CD1 3.66Å; W29-I141 HydrophobicContact CZ3-CG1 3.48Å; W29-I141 VanDerWaalsContact CZ3-CG1 3.48Å; W29-I141 HydrophobicContact CZ3-CG2 4.39Å; Y139-I141 HydrophobicContact CD1-CD1 3.26Å; Y139-I141 HydrophobicContact CE1-CD1 3.22Å; Y139-I141 HydrophobicContact CE1-CG1 4.36Å; Y139-I141 HydrophobicContact CG-CD1 4.35Å; I141-A143 VanDerWaalsContact C-N 3.25Å; I141-A143 PolarHBondContact O-N 3.18Å
142G41.7Very low59.6Low37 Ų3796.9 Ų96.938%0.38147%0.466SS..G310 helixtrans-74.1-8.3169.200000115D140D140-G142 PolarHBondContact O-N 2.74Å; D140-G142 WeakPolarHBondContact OD1-CA 3.18Å; D140-G142 PolarHBondContact OD1-N 3.3Å
143A41Very low60.2Low73 Ų7398.3 Ų98.360%0.60347%0.474SS*.G310 helixtrans-96.715.3177.800000113.9D140 I141D140-A143 HydrophobicContact CB-CB 4.05Å; D140-A143 WeakPolarHBondContact O-CB 3.37Å; D140-A143 PolarHBondContact O-N 3.1Å; I141-A143 VanDerWaalsContact C-N 3.25Å; I141-A143 PolarHBondContact O-N 3.18Å
144Y39.9Very low60.7Low187 Ų18799.9 Ų99.973%0.73348%0.482SS*.SBendtrans-57.1139.5149.7-107.9-87.5000108.6K146Y144-K146 VanDerWaalsContact C-N 3.3Å; Y144-K146 PolarHBondContact O-N 3.34Å
145E46.4Very low61.2Low143 Ų14397.5 Ų97.567%0.66848%0.479SS*.SBendtrans-68.870.5-152.6-67157.6136.100115.5E147 D148 D149E145-E147 PolarHBondContact O-N 2.97Å; E145-E147 VanDerWaalsContact O-N 3.12Å; E145-D148 PolarHBondContact O-N 3.18Å; E145-D149 PolarHBondContact O-N 2.57Å
146K46.5Very low61.7Low113 Ų11395.3 Ų95.349%0.49148%0.475SS..Hα-helixtrans-54.3-28.8171.5-92.6-173167.8-170.60113.5Y144 D148 F150Y144-K146 VanDerWaalsContact C-N 3.3Å; Y144-K146 PolarHBondContact O-N 3.34Å; K146-D148 VanDerWaalsContact C-N 3.35Å; K146-F150 HydrophobicContact CB-CD2 4.31Å; K146-F150 HydrophobicContact CB-CE2 4.08Å; K146-F150 HydrophobicContact CD-CE2 4.21Å; K146-F150 HydrophobicContact CG-CE2 4.34Å; K146-F150 WeakPolarHBondContact O-CB 3.36Å; K146-F150 WeakPolarHBondContact O-CD2 3.48Å; K146-F150 WeakPolarHBondContact O-CG 3.26Å; K146-F150 PolarHBondContact O-N 2.98Å
147E51Low62.2Low168 Ų16897.9 Ų97.979%0.78549%0.49SS*.Hα-helixtrans-65.7-38.5-178.3-57.9-165.4153.300111.3E145 I151E145-E147 PolarHBondContact O-N 2.97Å; E145-E147 VanDerWaalsContact O-N 3.12Å; E147-I151 WeakPolarHBondContact O-CB 3.33Å; E147-I151 PolarHBondContact O-N 2.86Å; E147-I151 VanDerWaalsContact O-N 3.1Å
148D51.6Low62.9Low101 Ų10196.2 Ų96.254%0.5449%0.49SS..Hα-helixtrans-76.7-40.2175.2-968000112.7E145 K146 F150 I151 W152E145-D148 PolarHBondContact O-N 3.18Å; K146-D148 VanDerWaalsContact C-N 3.35Å; D148-F150 VanDerWaalsContact C-N 3.28Å; D148-F150 PolarHBondContact O-N 2.81Å; D148-I151 WeakPolarHBondContact O-CB 3.31Å; D148-I151 PolarHBondContact O-N 3.03Å; D148-W152 PolarHBondContact O-N 2.8Å; D148-W152 VanDerWaalsContact O-N 3.09Å
149D56.1Low63.8Low117 Ų11799.4 Ų99.463%0.62650%0.504SS*.Hα-helixtrans-53.5-45.8171.9-101.8-10.5000111.1E145 I153E145-D149 PolarHBondContact O-N 2.57Å; D149-I153 WeakPolarHBondContact O-CD1 3.24Å; D149-I153 WeakPolarHBondContact O-CG1 3.34Å; D149-I153 PolarHBondContact O-N 3.33Å
150F61.2Low65Low94 Ų9498.2 Ų98.241%0.41251%0.509SS..Hα-helixtrans-70.5-33.6176.4-70.1-49.8000112.8K146 D148 W152 I153 I154K146-F150 HydrophobicContact CB-CD2 4.31Å; K146-F150 HydrophobicContact CB-CE2 4.08Å; K146-F150 HydrophobicContact CD-CE2 4.21Å; K146-F150 HydrophobicContact CG-CE2 4.34Å; K146-F150 WeakPolarHBondContact O-CB 3.36Å; K146-F150 WeakPolarHBondContact O-CD2 3.48Å; K146-F150 WeakPolarHBondContact O-CG 3.26Å; K146-F150 PolarHBondContact O-N 2.98Å; D148-F150 VanDerWaalsContact C-N 3.28Å; D148-F150 PolarHBondContact O-N 2.81Å; F150-W152 VanDerWaalsContact C-N 3.34Å; F150-W152 PolarHBondContact O-N 3.13Å; F150-I153 HydrophobicContact CD1-CD1 4.33Å; F150-I153 PolarHBondContact O-N 3.46Å; F150-I154 HydrophobicContact CB-CD1 4.5Å; F150-I154 WeakPolarHBondContact O-CB 3.23Å; F150-I154 WeakPolarHBondContact O-CD1 3.35Å; F150-I154 WeakPolarHBondContact O-CG1 3.39Å; F150-I154 PolarHBondContact O-N 2.78Å
151I71.3Confident66.4Low109 Ų109101.8 Ų101.856%0.55952%0.522SS*.Hα-helixtrans-61.9-40.5177.7-107.1162.9000111.8E147 D148 I154 G155E147-I151 WeakPolarHBondContact O-CB 3.33Å; E147-I151 PolarHBondContact O-N 2.86Å; E147-I151 VanDerWaalsContact O-N 3.1Å; D148-I151 WeakPolarHBondContact O-CB 3.31Å; D148-I151 PolarHBondContact O-N 3.03Å; I151-I154 PolarHBondContact O-N 3.35Å; I151-G155 PolarHBondContact O-N 2.84Å
152W77.4Confident68.2Low186 Ų186102.9 Ų102.971%0.70553%0.528SS*.Hα-helixtrans-66.7-43.1175.2-174.980.2000112.2D148 F150 I154 G155 I156D148-W152 PolarHBondContact O-N 2.8Å; D148-W152 VanDerWaalsContact O-N 3.09Å; F150-W152 VanDerWaalsContact C-N 3.34Å; F150-W152 PolarHBondContact O-N 3.13Å; W152-I154 PolarHBondContact O-N 2.94Å; W152-G155 PolarHBondContact O-N 3.31Å; W152-I156 HydrophobicContact CD2-CD1 3.81Å; W152-I156 HydrophobicContact CE3-CD1 3.83Å; W152-I156 HydrophobicContact CH2-CD1 3.51Å; W152-I156 HydrophobicContact CZ2-CD1 3.48Å; W152-I156 VanDerWaalsContact CZ2-CD1 3.48Å; W152-I156 HydrophobicContact CZ3-CD1 3.68Å; W152-I156 PolarHBondContact O-N 2.88Å
153I76.6Confident70.4Confident66 Ų66102.6 Ų102.634%0.33853%0.525SS..Hα-helixtrans-61.3-45.2176.2-66.7166.9000111D149 F150 I156 V157D149-I153 WeakPolarHBondContact O-CD1 3.24Å; D149-I153 WeakPolarHBondContact O-CG1 3.34Å; D149-I153 PolarHBondContact O-N 3.33Å; F150-I153 HydrophobicContact CD1-CD1 4.33Å; F150-I153 PolarHBondContact O-N 3.46Å; I153-I156 PolarHBondContact O-N 3.45Å; I153-V157 WeakPolarHBondContact O-CG2 3.34Å; I153-V157 PolarHBondContact O-N 3.31Å
154I79Confident72.7Confident104 Ų104104.3 Ų104.353%0.53352%0.523SS..Hα-helixtrans-62.7-43.3176.7-69.8163.2000110.4F150 I151 W152 I156 V157 V158F150-I154 HydrophobicContact CB-CD1 4.5Å; F150-I154 WeakPolarHBondContact O-CB 3.23Å; F150-I154 WeakPolarHBondContact O-CD1 3.35Å; F150-I154 WeakPolarHBondContact O-CG1 3.39Å; F150-I154 PolarHBondContact O-N 2.78Å; I151-I154 PolarHBondContact O-N 3.35Å; W152-I154 PolarHBondContact O-N 2.94Å; I154-I156 PolarHBondContact O-N 3.33Å; I154-V157 PolarHBondContact O-N 2.9Å; I154-V158 WeakPolarHBondContact O-CG2 3.11Å; I154-V158 PolarHBondContact O-N 3.12Å
155G81.1Confident75Confident30 Ų3099.7 Ų99.731%0.30951%0.51SS..Hα-helixtrans-56.3-47.317500000112.8I151 W152 V157 V158 I159I151-G155 PolarHBondContact O-N 2.84Å; W152-G155 PolarHBondContact O-N 3.31Å; G155-V157 PolarHBondContact O-N 2.66Å; G155-V158 PolarHBondContact O-N 2.77Å; G155-I159 VanDerWaalsContact O-CG1 3.29Å; G155-I159 WeakPolarHBondContact O-CG1 3.05Å; G155-I159 PolarHBondContact O-N 3.09Å
156I83.1Confident77.1Confident69 Ų6998.3 Ų98.335%0.35451%0.507SS..Hα-helixtrans-61.1-44.6175.6-72.8175.3000111.5W152 I153 I154 V158 I159 C160W152-I156 HydrophobicContact CD2-CD1 3.81Å; W152-I156 HydrophobicContact CE3-CD1 3.83Å; W152-I156 HydrophobicContact CH2-CD1 3.51Å; W152-I156 HydrophobicContact CZ2-CD1 3.48Å; W152-I156 VanDerWaalsContact CZ2-CD1 3.48Å; W152-I156 HydrophobicContact CZ3-CD1 3.68Å; W152-I156 PolarHBondContact O-N 2.88Å; I153-I156 PolarHBondContact O-N 3.45Å; I154-I156 PolarHBondContact O-N 3.33Å; I156-V158 VanDerWaalsContact C-N 3.32Å; I156-V158 PolarHBondContact O-N 2.9Å; I156-I159 PolarHBondContact O-N 3.11Å; I156-C160 WeakPolarHBondContact O-CB 3.28Å; I156-C160 PolarHBondContact O-N 3.12Å; I156-C160 PolarHBondContact O-SG 3.06Å; I156-C160 VanDerWaalsContact O-SG 3.34Å
157V86.9Confident79.1Confident56 Ų5697.5 Ų97.534%0.33951%0.507SS..Hα-helixtrans-60.2-42.3178.3169.90000111.5F12 I153 I154 G155 F161F12-V157 HydrophobicContact CE1-CG1 3.81Å; F12-V157 HydrophobicContact CE1-CG2 4.11Å; F12-V157 HydrophobicContact CZ-CG1 3.8Å; I153-V157 WeakPolarHBondContact O-CG2 3.34Å; I153-V157 PolarHBondContact O-N 3.31Å; I154-V157 PolarHBondContact O-N 2.9Å; G155-V157 PolarHBondContact O-N 2.66Å; V157-F161 WeakPolarHBondContact O-CB 3.48Å; V157-F161 PolarHBondContact O-N 3.46Å
158V87.4Confident81Confident79 Ų7992.6 Ų92.648%0.47949%0.49SS..Hα-helixtrans-64.8-45.6176.4172.40000111.4I154 G155 I156 C160 F161 L162I154-V158 WeakPolarHBondContact O-CG2 3.11Å; I154-V158 PolarHBondContact O-N 3.12Å; G155-V158 PolarHBondContact O-N 2.77Å; I156-V158 VanDerWaalsContact C-N 3.32Å; I156-V158 PolarHBondContact O-N 2.9Å; V158-C160 PolarHBondContact O-N 3.31Å; V158-F161 PolarHBondContact O-N 3.25Å; V158-L162 HydrophobicContact CG1-CD1 3.94Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 2.9Å
159I87.8Confident82.8Confident121 Ų12196.6 Ų96.662%0.62150%0.498SS*.Hα-helixtrans-61.3-45.2177.5-68.7164.4000110.9G155 I156 F161 L162 G163G155-I159 VanDerWaalsContact O-CG1 3.29Å; G155-I159 WeakPolarHBondContact O-CG1 3.05Å; G155-I159 PolarHBondContact O-N 3.09Å; I156-I159 PolarHBondContact O-N 3.11Å; I159-F161 PolarHBondContact O-N 2.9Å; I159-L162 PolarHBondContact O-N 3.28Å; I159-G163 PolarHBondContact O-N 3.03Å
160C88.7Confident84.4Confident72 Ų7293.8 Ų93.849%0.48649%0.487SS..Hα-helixtrans-61.2-42175.8-72.90000112.2I156 V158 G163 I164I156-C160 WeakPolarHBondContact O-CB 3.28Å; I156-C160 PolarHBondContact O-N 3.12Å; I156-C160 PolarHBondContact O-SG 3.06Å; I156-C160 VanDerWaalsContact O-SG 3.34Å; V158-C160 PolarHBondContact O-N 3.31Å; C160-G163 PolarHBondContact O-N 3.32Å; C160-I164 VanDerWaalsContact O-CG1 3.31Å; C160-I164 WeakPolarHBondContact O-CG1 3.26Å; C160-I164 PolarHBondContact O-N 2.89Å
161F87.6Confident85.7Confident132 Ų13296 Ų9658%0.57950%0.497SS*.Hα-helixtrans-66.5-42.6178.7-167.2-105.1000112.1V157 V158 I159 G163 I164 L165V157-F161 WeakPolarHBondContact O-CB 3.48Å; V157-F161 PolarHBondContact O-N 3.46Å; V158-F161 PolarHBondContact O-N 3.25Å; I159-F161 PolarHBondContact O-N 2.9Å; F161-G163 PolarHBondContact O-N 2.88Å; F161-I164 PolarHBondContact O-N 3.04Å; F161-L165 HydrophobicContact CD1-CD1 3.84Å; F161-L165 HydrophobicContact CD1-CG 4.34Å; F161-L165 HydrophobicContact CE1-CD1 3.65Å; F161-L165 HydrophobicContact CE1-CG 4.16Å; F161-L165 HydrophobicContact CZ-CD1 4.48Å; F161-L165 WeakPolarHBondContact O-CG 3.49Å; F161-L165 PolarHBondContact O-N 2.78Å
162L89.4Confident86.4Confident103 Ų10395.2 Ų95.254%0.53949%0.493SS..Hα-helixtrans-61.8-41.1173.4-71.1170000111.9V158 I159 L165 L166V158-L162 HydrophobicContact CG1-CD1 3.94Å; V158-L162 HydrophobicContact CG1-CG 4.46Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 2.9Å; I159-L162 PolarHBondContact O-N 3.28Å; L162-L165 PolarHBondContact O-N 2.87Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 PolarHBondContact O-N 2.97Å
163G88.6Confident86.8Confident31 Ų3192.4 Ų92.432%0.3249%0.486SS..Hα-helixtrans-60.8-44.2174.200000112.8I159 C160 F161 L166 I167I159-G163 PolarHBondContact O-N 3.03Å; C160-G163 PolarHBondContact O-N 3.32Å; F161-G163 PolarHBondContact O-N 2.88Å; G163-L166 PolarHBondContact O-N 2.83Å; G163-I167 WeakPolarHBondContact O-CB 3.31Å; G163-I167 VanDerWaalsContact O-CG1 3.28Å; G163-I167 WeakPolarHBondContact O-CG1 3.36Å; G163-I167 PolarHBondContact O-N 3.05Å
164I89.8Confident87.3Confident110 Ų11093.4 Ų93.456%0.56449%0.491SS*.Hα-helixtrans-64.6-41.1176.1-68.4163.9000111.2C160 F161 I167 C168C160-I164 VanDerWaalsContact O-CG1 3.31Å; C160-I164 WeakPolarHBondContact O-CG1 3.26Å; C160-I164 PolarHBondContact O-N 2.89Å; F161-I164 PolarHBondContact O-N 3.04Å; I164-I167 PolarHBondContact O-N 3.24Å; I164-C168 VanDerWaalsContact O-CB 3.27Å; I164-C168 WeakPolarHBondContact O-CB 3.49Å; I164-C168 PolarHBondContact O-N 2.7Å
165L88.5Confident87.6Confident89 Ų8995.8 Ų95.847%0.46650%0.495SS..Hα-helixtrans-63.1-42.4175.1-74.1176000112.1F161 L162 C168 W169F161-L165 HydrophobicContact CD1-CD1 3.84Å; F161-L165 HydrophobicContact CD1-CG 4.34Å; F161-L165 HydrophobicContact CE1-CD1 3.65Å; F161-L165 HydrophobicContact CE1-CG 4.16Å; F161-L165 HydrophobicContact CZ-CD1 4.48Å; F161-L165 WeakPolarHBondContact O-CG 3.49Å; F161-L165 PolarHBondContact O-N 2.78Å; L162-L165 PolarHBondContact O-N 2.87Å; L165-C168 WeakPolarHBondContact O-CB 3.48Å; L165-C168 PolarHBondContact O-N 2.71Å; L165-W169 WeakPolarHBondContact O-CB 3.49Å; L165-W169 PolarHBondContact O-N 2.74Å
166L89.8Confident87.8Confident115 Ų11597.1 Ų97.160%0.60250%0.497SS*.Hα-helixtrans-65-44177.4-173.2150000111.5L162 G163 C168 W169 C170L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 PolarHBondContact O-N 2.97Å; G163-L166 PolarHBondContact O-N 2.83Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-C168 PolarHBondContact O-N 2.93Å; L166-W169 PolarHBondContact O-N 2.8Å; L166-C170 PolarHBondContact O-N 2.95Å; L166-C170 PolarHBondContact O-SG 3.45Å; L166-C170 VanDerWaalsContact O-SG 3.34Å
167I89.3Confident87.8Confident96 Ų9699.4 Ų99.449%0.49251%0.505SS..Hα-helixtrans-60.8-43.8173.9-69.7164.8000110.8G163 I164 C170 F171G163-I167 WeakPolarHBondContact O-CB 3.31Å; G163-I167 VanDerWaalsContact O-CG1 3.28Å; G163-I167 WeakPolarHBondContact O-CG1 3.36Å; G163-I167 PolarHBondContact O-N 3.05Å; I164-I167 PolarHBondContact O-N 3.24Å; I167-C170 PolarHBondContact O-N 2.85Å; I167-F171 HydrophobicContact CG2-CD2 3.8Å; I167-F171 HydrophobicContact CG2-CE2 3.71Å; I167-F171 VanDerWaalsContact O-CD2 3.3Å; I167-F171 WeakPolarHBondContact O-CD2 3.2Å; I167-F171 PolarHBondContact O-N 3.5Å
168C89.6Confident87.5Confident64 Ų64103.3 Ų103.343%0.43252%0.517SS..Hα-helixtrans-61.4-44.1176.4-170.80000111.8I164 L165 L166 C170 F171 I172I164-C168 VanDerWaalsContact O-CB 3.27Å; I164-C168 WeakPolarHBondContact O-CB 3.49Å; I164-C168 PolarHBondContact O-N 2.7Å; L165-C168 WeakPolarHBondContact O-CB 3.48Å; L165-C168 PolarHBondContact O-N 2.71Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-C168 PolarHBondContact O-N 2.93Å; C168-C170 PolarHBondContact O-N 3.23Å; C168-F171 PolarHBondContact O-N 2.85Å; C168-I172 WeakPolarHBondContact O-CG1 3.27Å; C168-I172 PolarHBondContact O-N 2.83Å
169W90.1Very high87Confident185 Ų185103.8 Ų103.870%0.70152%0.517SS*.Hα-helixtrans-60.6-43.6174.4-174.4-87.6000111.9L165 L166 F171 I172 F173L165-W169 WeakPolarHBondContact O-CB 3.49Å; L165-W169 PolarHBondContact O-N 2.74Å; L166-W169 PolarHBondContact O-N 2.8Å; W169-F171 PolarHBondContact O-N 2.8Å; W169-I172 PolarHBondContact O-N 2.75Å; W169-F173 WeakPolarHBondContact O-CB 3.39Å; W169-F173 PolarHBondContact O-N 2.9Å
170C89Confident86.5Confident59 Ų59103.8 Ų103.840%0.39951%0.514SS..Hα-helixtrans-61.1-40.3174.3-71.30000112.6L166 I167 C168 F173 L174L166-C170 PolarHBondContact O-N 2.95Å; L166-C170 PolarHBondContact O-SG 3.45Å; L166-C170 VanDerWaalsContact O-SG 3.34Å; I167-C170 PolarHBondContact O-N 2.85Å; C168-C170 PolarHBondContact O-N 3.23Å; C170-F173 PolarHBondContact O-N 2.82Å; C170-L174 WeakPolarHBondContact O-CB 3.3Å; C170-L174 VanDerWaalsContact O-CG 3.28Å; C170-L174 WeakPolarHBondContact O-CG 3.29Å; C170-L174 PolarHBondContact O-N 2.86Å
171F88.1Confident85.9Confident139 Ų139102 Ų10261%0.6151%0.505SS*.Hα-helixtrans-65.4-40.7174-86.1-68000112.8I167 C168 W169 Y175I167-F171 HydrophobicContact CG2-CD2 3.8Å; I167-F171 HydrophobicContact CG2-CE2 3.71Å; I167-F171 VanDerWaalsContact O-CD2 3.3Å; I167-F171 WeakPolarHBondContact O-CD2 3.2Å; I167-F171 PolarHBondContact O-N 3.5Å; C168-F171 PolarHBondContact O-N 2.85Å; W169-F171 PolarHBondContact O-N 2.8Å; F171-Y175 VanDerWaalsContact O-CB 3.27Å; F171-Y175 WeakPolarHBondContact O-CB 3.41Å; F171-Y175 PolarHBondContact O-N 2.81Å
172I86.7Confident85.3Confident94 Ų9499.4 Ų99.448%0.48250%0.499SS..Hα-helixtrans-64.2-45.6175-67.2164.9000110.2C168 W169 Y175 T176C168-I172 WeakPolarHBondContact O-CG1 3.27Å; C168-I172 PolarHBondContact O-N 2.83Å; W169-I172 PolarHBondContact O-N 2.75Å; I172-Y175 PolarHBondContact O-N 3.35Å; I172-T176 WeakPolarHBondContact O-CG2 3.22Å; I172-T176 PolarHBondContact O-N 3.33Å; I172-T176 PolarHBondContact O-OG1 3.33Å
173F86.1Confident84.5Confident126 Ų12697 Ų9755%0.55349%0.494SS*.Hα-helixtrans-59-50.9177.3-175.8-97.4000111.3W169 C170 Y175 T176 F177W169-F173 WeakPolarHBondContact O-CB 3.39Å; W169-F173 PolarHBondContact O-N 2.9Å; C170-F173 PolarHBondContact O-N 2.82Å; F173-Y175 VanDerWaalsContact C-N 3.34Å; F173-Y175 PolarHBondContact O-N 2.84Å; F173-T176 WeakPolarHBondContact CA-OG1 3.5Å; F173-T176 PolarHBondContact O-N 3.3Å; F173-T176 PolarHBondContact O-OG1 2.92Å; F173-F177 WeakPolarHBondContact O-CB 3.44Å; F173-F177 PolarHBondContact O-N 3.24Å
174L87Confident83.6Confident88 Ų88101.7 Ų101.746%0.46151%0.51SS..Hα-helixtrans-57.7-44.2174.7-74.1170.1000112C170 F177 F178C170-L174 WeakPolarHBondContact O-CB 3.3Å; C170-L174 VanDerWaalsContact O-CG 3.28Å; C170-L174 WeakPolarHBondContact O-CG 3.29Å; C170-L174 PolarHBondContact O-N 2.86Å; L174-F177 PolarHBondContact O-N 3.4Å; L174-F178 WeakPolarHBondContact O-CD2 3.5Å; L174-F178 PolarHBondContact O-N 3.44Å
175Y86Confident82.5Confident153 Ų153101.2 Ų101.260%0.651%0.512SS*.Hα-helixtrans-62.5-43.1177.6-178.4-107.9000112.3F171 I172 F173 F178 L179F171-Y175 VanDerWaalsContact O-CB 3.27Å; F171-Y175 WeakPolarHBondContact O-CB 3.41Å; F171-Y175 PolarHBondContact O-N 2.81Å; I172-Y175 PolarHBondContact O-N 3.35Å; F173-Y175 VanDerWaalsContact C-N 3.34Å; F173-Y175 PolarHBondContact O-N 2.84Å; Y175-F178 PolarHBondContact O-N 3.28Å; Y175-L179 HydrophobicContact CD1-CD1 3.89Å; Y175-L179 HydrophobicContact CE1-CD1 3.46Å; Y175-L179 VanDerWaalsContact CE1-CD1 3.46Å; Y175-L179 HydrophobicContact CE1-CG 4.36Å; Y175-L179 WeakPolarHBondContact O-CG 3.28Å; Y175-L179 PolarHBondContact O-N 3.23Å
176T83.8Confident81.3Confident59 Ų59103 Ų10336%0.36252%0.522SS..Hα-helixtrans-66.5-35.7174.355.80000112.7I172 F173 L179 Q180I172-T176 WeakPolarHBondContact O-CG2 3.22Å; I172-T176 PolarHBondContact O-N 3.33Å; I172-T176 PolarHBondContact O-OG1 3.33Å; F173-T176 WeakPolarHBondContact CA-OG1 3.5Å; F173-T176 PolarHBondContact O-N 3.3Å; F173-T176 PolarHBondContact O-OG1 2.92Å; T176-L179 PolarHBondContact O-N 3.32Å; T176-Q180 WeakPolarHBondContact O-CG 3.41Å; T176-Q180 PolarHBondContact O-N 3.47Å
177F83.1Confident79.9Confident117 Ų117108.4 Ų108.451%0.51353%0.534SS..Hα-helixtrans-68.3-42175.1-170.6-95.3000111.6F173 L174 L179 Q180 A181F173-F177 WeakPolarHBondContact O-CB 3.44Å; F173-F177 PolarHBondContact O-N 3.24Å; L174-F177 PolarHBondContact O-N 3.4Å; F177-L179 VanDerWaalsContact C-N 3.34Å; F177-L179 PolarHBondContact O-N 2.88Å; F177-Q180 PolarHBondContact O-N 2.89Å; F177-A181 VanDerWaalsContact O-CB 3.3Å; F177-A181 WeakPolarHBondContact O-CB 3.43Å; F177-A181 PolarHBondContact O-N 2.99Å
178F80.9Confident78.4Confident138 Ų138109.6 Ų109.661%0.60554%0.541SS*.Hα-helixtrans-63.4-37.6172.3-83.6-64.6000112.3L174 Y175 T182L174-F178 WeakPolarHBondContact O-CD2 3.5Å; L174-F178 PolarHBondContact O-N 3.44Å; Y175-F178 PolarHBondContact O-N 3.28Å; F178-T182 VanDerWaalsContact O-CB 3.27Å; F178-T182 WeakPolarHBondContact O-CB 3.44Å; F178-T182 PolarHBondContact O-N 3.15Å; F178-T182 PolarHBondContact O-OG1 3.42Å
179L76.8Confident76.7Confident89 Ų89112.1 Ų112.147%0.46656%0.556SS.*Hα-helixtrans-63.9-45.6172.3-81.6169.2000111.9Y175 T176 F177 T182 A183Y175-L179 HydrophobicContact CD1-CD1 3.89Å; Y175-L179 HydrophobicContact CE1-CD1 3.46Å; Y175-L179 VanDerWaalsContact CE1-CD1 3.46Å; Y175-L179 HydrophobicContact CE1-CG 4.36Å; Y175-L179 WeakPolarHBondContact O-CG 3.28Å; Y175-L179 PolarHBondContact O-N 3.23Å; T176-L179 PolarHBondContact O-N 3.32Å; F177-L179 VanDerWaalsContact C-N 3.34Å; F177-L179 PolarHBondContact O-N 2.88Å; L179-T182 PolarHBondContact O-N 2.94Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 3.02Å
180Q77Confident75Confident120 Ų120112.5 Ų112.556%0.56156%0.563SS**Hα-helixtrans-64.1-44176.4-75.1179.1-9.100112T176 F177 T182 A183 M184T176-Q180 WeakPolarHBondContact O-CG 3.41Å; T176-Q180 PolarHBondContact O-N 3.47Å; F177-Q180 PolarHBondContact O-N 2.89Å; Q180-T182 PolarHBondContact O-N 2.97Å; Q180-A183 PolarHBondContact O-N 3Å; Q180-M184 WeakPolarHBondContact O-CG 3.07Å; Q180-M184 PolarHBondContact O-N 3.05Å
181A76.5Confident73.2Confident35 Ų35114.9 Ų114.929%0.28958%0.578SS.*Hα-helixtrans-62-42.2174.900000111.7F177 M184 V185F177-A181 VanDerWaalsContact O-CB 3.3Å; F177-A181 WeakPolarHBondContact O-CB 3.43Å; F177-A181 PolarHBondContact O-N 2.99Å; A181-M184 PolarHBondContact O-N 3.04Å; A181-V185 WeakPolarHBondContact O-CB 3.37Å; A181-V185 VanDerWaalsContact O-CG2 3.32Å; A181-V185 WeakPolarHBondContact O-CG2 3.49Å; A181-V185 PolarHBondContact O-N 3.04Å
182T74.5Confident71Confident77 Ų77116.9 Ų116.947%0.47259%0.591SS.*Hα-helixtrans-65.1-39.3175.5-56.50000111.6F178 L179 Q180 V185 N186F178-T182 VanDerWaalsContact O-CB 3.27Å; F178-T182 WeakPolarHBondContact O-CB 3.44Å; F178-T182 PolarHBondContact O-N 3.15Å; F178-T182 PolarHBondContact O-OG1 3.42Å; L179-T182 PolarHBondContact O-N 2.94Å; Q180-T182 PolarHBondContact O-N 2.97Å; T182-V185 PolarHBondContact O-N 3.44Å; T182-N186 WeakPolarHBondContact O-CB 3.38Å; T182-N186 PolarHBondContact O-N 3.22Å; T182-N186 PolarHBondContact O-ND2 2.93Å
183A73.6Confident69.1Low52 Ų52119.3 Ų119.343%0.4360%0.603SS.*Hα-helixtrans-63.6-42.517400000111.7L179 Q180 N186 W187L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 3.02Å; Q180-A183 PolarHBondContact O-N 3Å; A183-N186 PolarHBondContact O-N 3.16Å; A183-W187 WeakPolarHBondContact O-CB 2.99Å; A183-W187 PolarHBondContact O-N 3.33Å
184M69.1Low67Low130 Ų130116.9 Ų116.964%0.6460%0.602SS**Hα-helixtrans-65.8-40.5175-72.3-178.1179.300112.7Q180 A181 N186 W187 L188Q180-M184 WeakPolarHBondContact O-CG 3.07Å; Q180-M184 PolarHBondContact O-N 3.05Å; A181-M184 PolarHBondContact O-N 3.04Å; M184-N186 VanDerWaalsContact C-N 3.28Å; M184-N186 PolarHBondContact O-N 3.37Å; M184-W187 CarbonylContact O-C 3.45Å; M184-W187 PolarHBondContact O-N 3.05Å; M184-W187 VanDerWaalsContact O-N 3.14Å; M184-L188 PolarHBondContact O-N 2.94Å
185V66.7Low64.8Low100 Ų100120.2 Ų120.261%0.60662%0.62SS**Hα-helixtrans-63.5-34.3174.5168.50000111.8A181 T182A181-V185 WeakPolarHBondContact O-CB 3.37Å; A181-V185 VanDerWaalsContact O-CG2 3.32Å; A181-V185 WeakPolarHBondContact O-CG2 3.49Å; A181-V185 PolarHBondContact O-N 3.04Å; T182-V185 PolarHBondContact O-N 3.44Å
186N63.5Low62.8Low128 Ų128116.5 Ų116.568%0.68462%0.617SS**Hα-helixtrans-80.7-18.8173.9-71.2-28.8000113.8T182 A183 M184T182-N186 WeakPolarHBondContact O-CB 3.38Å; T182-N186 PolarHBondContact O-N 3.22Å; T182-N186 PolarHBondContact O-ND2 2.93Å; A183-N186 PolarHBondContact O-N 3.16Å; M184-N186 VanDerWaalsContact C-N 3.28Å; M184-N186 PolarHBondContact O-N 3.37Å
187W60.1Low60.8Low228 Ų228123.6 Ų123.686%0.86464%0.643SS**Hα-helixtrans-89.9-21.6174.3-100.172.3000113.8A183 M184 P189A183-W187 WeakPolarHBondContact O-CB 2.99Å; A183-W187 PolarHBondContact O-N 3.33Å; M184-W187 CarbonylContact O-C 3.45Å; M184-W187 PolarHBondContact O-N 3.05Å; M184-W187 VanDerWaalsContact O-N 3.14Å; W187-P189 WeakPolarHBondContact O-CD 3.44Å
188L57.2Low58.9Low121 Ų121127.1 Ų127.163%0.63466%0.661SS**SBendtrans-60.2116.5168.4-88.4159.2000108.4M184 K190M184-L188 PolarHBondContact O-N 2.94Å; L188-K190 PolarHBondContact O-N 3.05Å; L188-K190 VanDerWaalsContact O-N 3.16Å
189P55.4Low57.1Low116 Ų116127 Ų12775%0.75367%0.665SS**PPolyproline II helixtrans-60.9125.6178.725.2-32.8000108.1W187W187-P189 WeakPolarHBondContact O-CD 3.44Å
190K52.8Low55.3Low194 Ų194131.7 Ų131.784%0.84368%0.682SS**PPolyproline II helixtrans-48.1130.7174.6-87.2-174.8174.3179.60108.4L188 M192L188-K190 PolarHBondContact O-N 3.05Å; L188-K190 VanDerWaalsContact O-N 3.16Å; K190-M192 PolarHBondContact O-N 2.86Å
191P52.8Low53.5Low108 Ų108137.4 Ų137.470%0.70170%0.7SS**PPolyproline II helixtrans-55.7120.8176.323.6-32.8000107.6I193P191-I193 PolarHBondContact O-N 3.11Å
192M41.5Very low51.7Low181 Ų181144.6 Ų144.689%0.89273%0.725SS**  trans-75.482.6-177.8-156.5173.6-169.200107.4K190 S194K190-M192 PolarHBondContact O-N 2.86Å; M192-S194 PolarHBondContact O-N 2.98Å
193I45.7Very low49.8Very low145 Ų145146.7 Ų146.774%0.74474%0.738SS**  trans-66.885.6169.8-57.8174.2000106P191P191-I193 PolarHBondContact O-N 3.11Å
194S42Very low48.2Very low75 Ų75152.2 Ų152.252%0.52476%0.755SS.*  trans-69.7129.1167.850.70000108.2M192 S196M192-S194 PolarHBondContact O-N 2.98Å; S194-S196 PolarHBondContact O-N 3.3Å; S194-S196 PolarHBondContact O-OG 3.1Å; S194-S196 PolarHBondContact OG-OG 3.34Å
195D42Very low46.6Very low158 Ų158152 Ų15285%0.84576%0.756SS**  trans-71.552.9168-80-50.6000111.3K197D195-K197 PolarHBondContact O-N 3.2Å
196S42.6Very low45.2Very low75 Ų75152.3 Ų152.352%0.52476%0.763SS.*  trans-86.427-177.961.40000112.8S194S194-S196 PolarHBondContact O-N 3.3Å; S194-S196 PolarHBondContact O-OG 3.1Å; S194-S196 PolarHBondContact OG-OG 3.34Å
197K42.3Very low43.9Very low209 Ų209154 Ų15491%0.90977%0.767SS**SBendtrans-87.96.4177.2-94.7-169.7174.4-176.20114.8D195D195-K197 PolarHBondContact O-N 3.2Å
198Q43.6Very low42.8Very low190 Ų190153 Ų15389%0.88876%0.762SS**SBendtrans-123.40.4-178.8-70.5-164.6-7.400116.5
199I42.4Very low41.7Very low136 Ų136153.8 Ų153.870%0.69776%0.763SS**SBendtrans-110.2-22.5-169.5-58.7-178.1000114.1
200F40.2Very low41Very low188 Ų188154.8 Ų154.883%0.82577%0.767SS**SBendtrans-98.614.2-168.4-113.7-81000117.6
201Y39.5Very low40.3Very low240 Ų240152.2 Ų152.294%0.94176%0.758SS**SBendtrans-129.457.9171.8-76.9-73.9000112.1
202K37.7Very low39.6Very low185 Ų185156.6 Ų156.680%0.80477%0.769SS**SBendtrans-151.4125.9165.8-154.3172.6-176.3177.10111.5
203T35.5Very low39.6Very low121 Ų121155.2 Ų155.274%0.74276%0.758SS**  trans66.889.6169.5-41.90000116.2
204E38.6Very low39.3Very low168 Ų168158.8 Ų158.879%0.78576%0.762SS**  -177.6113.3112.6-85.2-136.488.200107.6
205N37.3Very low39.2Very low126 Ų126161.4 Ų161.467%0.67477%0.77SS**  75.1111.390-71.5-24.8000114.4
206S35.7Very low39.1Very low106 Ų106159 Ų15974%0.74177%0.766SS**  trans58.188139.7179.10000119.1
207Q37.4Very low39Very low164 Ų164163.4 Ų163.477%0.76678%0.778SS**  179.2135.4102.1-100.6175.6-8.400113.4
208R36.8Very low38.8Very low206 Ų206158.7 Ų158.778%0.77777%0.766SS**  trans58.1155.1144.3-69.7-172.9135.7136.92120.4
209E34.4Very low38.6Very low139 Ų139157 Ų15765%0.6576%0.759SS**  cis-173.1155.9-24.2-167.1158.1-169.900105.5
210V39.3Very low38.4Very low136 Ų136155.7 Ų155.782%0.82476%0.757SS**  trans65.9109.1-177.6-166.70000112.9
211E38.5Very low38.3Very low141 Ų141152 Ų15266%0.65975%0.746SS**  cis6686.933.9-159.5-179.1-166.900116.1K213E211-K213 IonicContact OE1-NZ 2.75Å; E211-K213 PolarHBondContact OE1-NZ 3.25Å
212E39.1Very low38.4Very low199 Ų199147.5 Ų147.593%0.9374%0.738SS**  trans-142.5176.6136.1-139.1173.7-178.700110.9
213K40.7Very low38.5Very low152 Ų152146.7 Ų146.766%0.66174%0.737SS**  trans-148.5157.3-131.1-138.4163.5-166.8152.30114.9E211E211-K213 IonicContact OE1-NZ 2.75Å; E211-K213 PolarHBondContact OE1-NZ 3.25Å
214R40.3Very low38.7Very low220 Ų220148.3 Ų148.383%0.8374%0.736SS**  trans75160.8166.1-55.3-165.7174.7164.8-1.7118.1
215D38.3Very low38.5Very low131 Ų131148.3 Ų148.370%0.70173%0.734SS**  cis-171.4160.9-39.4-94.2-35.5000108.6
216S41.4Very low38.6Very low108 Ų108147 Ų14776%0.75574%0.735SS**  trans71152.1156.8-70.30000120.2
217Q39.6Very low38.5Very low166 Ų166149.7 Ų149.778%0.77674%0.736SS**  cis-172.2164.4-22.8-165.1-173.9-16.600109.9
218V38.7Very low38.5Very low110 Ų110147.9 Ų147.967%0.66774%0.738SS**  trans77.1120.8164.9-152.70000114.6
219Q38.1Very low38.3Very low155 Ų155146.2 Ų146.272%0.72474%0.737SS**  70.2150.354.5-115.1-177.3-30.800113.3D221Q219-D221 WeakPolarHBondContact CG-OD2 3.4Å; Q219-D221 PolarHBondContact NE2-OD2 3.29Å
220T38.2Very low38.4Very low108 Ų108146 Ų14666%0.66375%0.745SS**  cis-128.2155.37.952.50000110.6
221D39.9Very low38.3Very low111 Ų111144.5 Ų144.559%0.59474%0.74SS**  55.7127.367.2-19.3-38.9000111.4Q219Q219-D221 WeakPolarHBondContact CG-OD2 3.4Å; Q219-D221 PolarHBondContact NE2-OD2 3.29Å
222D41.2Very low38.1Very low146 Ų146147.5 Ų147.578%0.78175%0.751SS**  cis-143.1-155.15.7-148.6-3.5000109.4
223Q38.6Very low38Very low168 Ų168142.5 Ų142.579%0.78574%0.744SS**  cis-159.3-161.311.2-145.4175.924.100112.4
224E39.4Very low37.7Very low155 Ų155142.6 Ų142.672%0.72475%0.747SS**  trans-102-172.3-172.5-60.4-176.5105.400114.6
225F35.8Very low37.5Very low167 Ų167140.2 Ų140.273%0.73274%0.743SS**  cis-166.8154.422-158.1-141.4000115.7
226S38.5Very low37.2Very low99 Ų99138.3 Ų138.369%0.69274%0.74SS**  trans69.5142.2147.1-78.20000126
227Q34.5Very low36.9Very low162 Ų162140.4 Ų140.476%0.75774%0.742SS**  trans-99.8173.5173.5-128.1178.460.600109.8
228P36.8Very low36.5Very low126 Ų126139.4 Ų139.482%0.81874%0.737SS**  -153.8-16664.141.5-18.1000117
229K33.8Very low36.3Very low172 Ų172140.4 Ų140.475%0.74874%0.738SS**  trans-93158-172.1-52.3158.3-176.6169.50112.9
230T36.6Very low36.1Very low135 Ų135141.7 Ų141.783%0.82874%0.742SS**  178.7123.2114.336.90000116.5
231S35.6Very low36Very low103 Ų103142 Ų14272%0.7275%0.748SS**  trans58.6130.5134.671.50000126.4
232K35.2Very low35.6Very low204 Ų204141.9 Ų141.989%0.88775%0.751SS**  trans86.2153.7133-84.1-177174.7-175.60122.2
233A35.7Very low35.1Very low95 Ų95140.6 Ų140.679%0.78575%0.752SS**  trans66.1119.4-177.800000114.8
234E35.7Very low34.9Very low153 Ų153140.4 Ų140.472%0.71576%0.757SS**  cis94.5132.528.5-161.8-156.9-99.300113.7
235K36.5Very low34.7Very low171 Ų171143.3 Ų143.374%0.74376%0.761SS**  trans73.9153.3-178.6-52.2-177.2177.782.30114.7
236S31.8Very low34.6Very low91 Ų91142.3 Ų142.364%0.63677%0.769SS**  cis-175163.2-24.955.60000109.1
237L34.6Very low34.3Very low152 Ų152142.7 Ų142.780%0.79677%0.766SS**  trans65165.1177.6-78.877.5000114.7
238Q30.9Very low34.2Very low144 Ų144142.7 Ų142.767%0.67377%0.771SS**  cis-173163.8-34.9-169.2175.133.600106.8
239N35.6Very low34Very low132 Ų132143.5 Ų143.571%0.70677%0.769SS**  trans75.2158.2170.4-54.3-55.9000116.4
240K33.5Very low34Very low182 Ų182140 Ų14079%0.79177%0.765SS**  cis-177111.2-27173.4179.7179.1-179.80110
241S35.7Very low33.8Very low115 Ų115141.6 Ų141.680%0.80477%0.769SS**  trans-166.2125.3160-165.60000107.4
242V31.8Very low33.7Very low108 Ų108143.7 Ų143.766%0.65577%0.771SS**  cis90.6124.834.4179.40000112.8
243C31.7Very low33.6Very low118 Ų118138.3 Ų138.380%0.79776%0.759SS**  trans64.1131.7-175.1-62.60000114.7
244D34.6Very low33.4Very low165 Ų165141.7 Ų141.788%0.88276%0.759SS**  -138.6-172.951-133-35.9000116.5
245R33.8Very low33.3Very low216 Ų216139.4 Ų139.482%0.81577%0.766SS**  trans-131119.1-151.8174.1-172.3-177.8172.20.5114.5
246T33.9Very low33Very low146 Ų146141.7 Ų141.790%0.89677%0.77SS**  trans-136.1135.7159.742.10000111
247V33.2Very low33Very low106 Ų106145.1 Ų145.164%0.64278%0.78SS**  trans-116.1135.1176.2172.70000107.7
248L32.2Very low32.6Very low163 Ų163143.2 Ų143.285%0.85378%0.78SS**  trans-138.585.6166.1-84.2173.3000108.7
249D31.2Very low32.6Very low143 Ų143142.7 Ų142.777%0.76579%0.786SS**  trans-66.5146.4154.1-68.5-54000108.8
250S35.1Very low32.2Very low97 Ų97142.8 Ų142.868%0.67879%0.791SS**  trans-154.551.9175.2-72.30000112L252S250-L252 PolarHBondContact O-N 3.25Å; S250-L252 VanDerWaalsContact O-N 3.09Å
251D31.4Very low32.2Very low170 Ų170138.6 Ų138.691%0.90979%0.785SS**  trans-69.495.8159.3-84.6-34.4000109.1
252L33.5Very low31.9Very low146 Ų146141.5 Ų141.576%0.76479%0.786SS**  trans-133.391.8174.7-95.3168.8000112.3S250S250-L252 PolarHBondContact O-N 3.25Å; S250-L252 VanDerWaalsContact O-N 3.09Å
253S34.5Very low31.9Very low91 Ų91143 Ų14364%0.63679%0.789SS**  53.9115.6126.167.80000120.7
254E30.2Very low31.7Very low167 Ų167142.4 Ų142.478%0.7879%0.786SS**  59.297.5118.7-166.7162.9-139.400119.2
255A33.2Very low31.6Very low104 Ų104140.7 Ų140.786%0.8678%0.776SS**  trans-132.987.6158.300000110.7L257A255-L257 PolarHBondContact O-N 2.92Å
256R30Very low31.5Very low220 Ų220138.4 Ų138.483%0.8378%0.775SS**  trans-84.996.8174.3-74.9-177.9170.6-147.40.8111.9
257L32.4Very low31.5Very low163 Ų163139.1 Ų139.185%0.85377%0.768SS**  trans-146.5114.8153.3-69.9178.8000107.1A255A255-L257 PolarHBondContact O-N 2.92Å
258S27.3Very low31.3Very low112 Ų112138.9 Ų138.978%0.78377%0.771SS**  66.773.751.9-168.70000114.2
259T30Very low31.3Very low132 Ų132137.2 Ų137.281%0.8177%0.767SS**  trans-140117.8150-63.70000108.5
260V27.4Very low31.2Very low134 Ų134137 Ų13781%0.81277%0.766SS**  trans-73.4130.4162.1173.60000107
261S32.5Very low31.1Very low95 Ų95137.9 Ų137.966%0.66477%0.769SS**  trans-123109.7161.5-165.60000108
262E29.9Very low31.1Very low176 Ų176136.1 Ų136.182%0.82277%0.765SS**  trans-59.9136.1160.2-64.8166.2113.900107.9
263I31.3Very low30.9Very low140 Ų140135.1 Ų135.172%0.71877%0.765SS**  trans-126.574159.8-45.3179.4000106L265I263-L265 PolarHBondContact O-N 3.38Å
264S28.8Very low30.9Very low105 Ų105136.4 Ų136.473%0.73477%0.774SS**  trans-63.8121158.6-1770000107.1
265L31.3Very low31Very low128 Ų128136.2 Ų136.267%0.6777%0.773SS**  trans-127.777.8175.1-148.1166.9000108.1I263 E267I263-L265 PolarHBondContact O-N 3.38Å; L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 HydrophobicContact CD2-CB 3.95Å; L265-E267 PolarHBondContact O-N 3.24Å
266E31.4Very low31.1Very low169 Ų169139.6 Ų139.679%0.7978%0.775SS**  trans-66.685164.2-67.9-171.2154.700109.4S268E266-S268 PolarHBondContact O-N 3.06Å
267E33.9Very low31.3Very low160 Ų160135.5 Ų135.575%0.74877%0.77SS**  trans-76.382166-169.5157.6-162.300109.8L265 V269L265-E267 VanDerWaalsContact C-N 3.26Å; L265-E267 HydrophobicContact CD2-CB 3.95Å; L265-E267 PolarHBondContact O-N 3.24Å; E267-V269 VanDerWaalsContact C-N 3.35Å; E267-V269 HydrophobicContact CG-CG2 4.25Å; E267-V269 PolarHBondContact O-N 3.25Å
268S30.4Very low31.3Very low101 Ų101136.4 Ų136.471%0.70677%0.77SS**  trans-73.180.1179.6490000112.1E266 N270E266-S268 PolarHBondContact O-N 3.06Å; S268-N270 VanDerWaalsContact C-N 3.33Å; S268-N270 PolarHBondContact O-N 2.87Å
269V32.4Very low31.4Very low129 Ų129135.9 Ų135.978%0.78277%0.767SS**  trans-73.389.7167.4-174.30000109.3E267E267-V269 VanDerWaalsContact C-N 3.35Å; E267-V269 HydrophobicContact CG-CG2 4.25Å; E267-V269 PolarHBondContact O-N 3.25Å
270N29.2Very low31.4Very low139 Ų139136 Ų13674%0.74377%0.766SS**  trans-64.1153.6176.3-125.2-9.2000111S268S268-N270 VanDerWaalsContact C-N 3.33Å; S268-N270 PolarHBondContact O-N 2.87Å
271P33Very low31.6Very low114 Ų114135.7 Ų135.774%0.7477%0.765SS**  trans-75.1153.3-164.131.6-36000112.8
272T31.4Very low31.5Very low134 Ų134135.7 Ų135.782%0.82276%0.762SS**  trans-128.5127.7163.5-65.20000109.5
273V29.2Very low31.4Very low125 Ų125134.8 Ų134.876%0.75876%0.762SS**  trans-66.5140.3178.5-173.30000109.5E275V273-E275 HydrophobicContact CG1-CG 4.21Å
274S34Very low31.4Very low118 Ų118133.5 Ų133.583%0.82577%0.766SS**  trans-126.4114.1158.1-730000108.1
275E32.8Very low31.5Very low163 Ų163137.7 Ų137.776%0.76277%0.774SS**  trans-74.4136.1-176.1-58163.8129.600110.6V273V273-E275 HydrophobicContact CG1-CG 4.21Å
276L34.1Very low31.5Very low174 Ų174138 Ų13891%0.91178%0.781SS**  trans-132.2115.6148.5-84.4178.3000109.1
277N34.1Very low31.3Very low134 Ų134138.9 Ų138.972%0.71779%0.785SS**  trans-61.1165.4164.9-50.1-43.3000108.7
278E33.2Very low31.2Very low182 Ų182137.2 Ų137.285%0.8579%0.786SS**  cis-161.2137.321.4-152.6161.7-151.600105.6
279S28.8Very low31.2Very low102 Ų102140 Ų14071%0.71379%0.792SS**  168.2144.988.5176.60000108.5
280V30.8Very low31Very low133 Ų133140.7 Ų140.781%0.80679%0.791SS**  trans-127.7115.7179.3174.10000110
281V31.6Very low31.3Very low129 Ų129139.9 Ų139.978%0.78279%0.793SS**  trans-142.3102.2169-174.70000111.1
282P30.5Very low31.1Very low94 Ų94141.1 Ų141.161%0.6179%0.793SS**  trans-96.4170.7156.337.2-31.9000111.4
283L27.5Very low31.2Very low157 Ų157143.2 Ų143.282%0.82279%0.794SS**  trans68.5115.8176.8-50.1166.6000113.8
284S32.1Very low31.3Very low114 Ų114145.4 Ų145.480%0.79780%0.796SS**  -168.5159.871.5-63.80000111.9
285E28.9Very low31.1Very low192 Ų192147.3 Ų147.390%0.89780%0.797SS**  trans-73.2136.7172-57172.1124.100111.2
286T31.6Very low31Very low134 Ų134142.9 Ų142.982%0.82280%0.795SS**  trans-151.2131.5157.1-53.90000110.1
287Q27.8Very low30.9Very low188 Ų188142.3 Ų142.388%0.87979%0.791SS**  trans-87.4131.9-179-55161.313.200110.6
288V31.4Very low30.9Very low125 Ų125142.5 Ų142.576%0.75879%0.791SS**  trans-143.7104.1160.5176.50000110.6
289L30.9Very low30.7Very low159 Ų159141.9 Ų141.983%0.83279%0.793SS**  trans42.4126.1142.8-69.6156.1000121.7
290L27.4Very low30.8Very low144 Ų144145.2 Ų145.275%0.75480%0.798SS**  trans-66.7162.3150.3-66.4103.3000111.1
291P35.4Very low30.9Very low123 Ų123148.5 Ų148.580%0.79980%0.804SS**  -122.7139.6124.635.2-30.2000112.2
292D29.7Very low30.6Very low139 Ų139149.9 Ų149.974%0.74381%0.807SS**  trans-79.9143.2154.9-63-65.7000108.7
293E33.8Very low30.6Very low178 Ų178152.3 Ų152.383%0.83281%0.814SS**  173139127.3-95.1174.3-178.700113.7
294E31.8Very low30.8Very low172 Ų172153.9 Ų153.980%0.80482%0.817SS**  trans50.1120.7149.3-56.5-164.1149.500124.2
295D29.7Very low30.8Very low157 Ų157156.4 Ų156.484%0.8482%0.82SS**  trans50.592.8131.3-72.812.4000122
296G29.7Very low30.8Very low71 Ų71157 Ų15773%0.73282%0.82SS**  89.1131.9103.400000119.2
297I33.4Very low30.8Very low161 Ų161156.1 Ų156.183%0.82681%0.814SS**  trans-160.7130.7152.7-113.4155.6000111.8
298I32Very low30.8Very low139 Ų139154 Ų15471%0.71381%0.809SS**  trans64.5102.1163.7-59.6168.9000118.5Q300I298-Q300 HydrophobicContact CG2-CB 3.81Å
299N29.2Very low30.9Very low168 Ų168154.6 Ų154.690%0.89881%0.813SS**  trans-80.4120.4147-74.6-76000109.1
300Q31.8Very low31Very low173 Ų173155.6 Ų155.681%0.80881%0.81SS**  trans-158.652.5167.9-137.2170.639.600117.8I298I298-Q300 HydrophobicContact CG2-CB 3.81Å
301Q32.3Very low31.2Very low202 Ų202155.8 Ų155.894%0.94481%0.812SS**  trans-161.287.1151.7-114164.18.400111.9
302L26.7Very low31.2Very low158 Ų158158.3 Ų158.383%0.82782%0.818SS**  trans-135.2108170.5-179.491.6000108.4
303N30.3Very low31.1Very low144 Ų144160.1 Ų160.177%0.7782%0.82SS**  trans159151149.5-84-31.5000109.6
304E30.5Very low31Very low191 Ų191157.8 Ų157.889%0.89381%0.813SS**  trans65.2129.2-175.9-51.3-178.8169.200112
305I32.8Very low30.9Very low167 Ų167157.8 Ų157.886%0.85681%0.813SS**  cis-120.6129.825.5-65155.4000110.9
306K28.1Very low30.9Very low203 Ų203156.3 Ų156.388%0.88381%0.809SS**  trans-148.865.4175.1-168-175.1177.7177.10112
307V31.6Very low31Very low117 Ų117160.8 Ų160.871%0.70981%0.814SS**  trans-137.3127.3-179.3-178.80000110.5
308N29.3Very low30.9Very low142 Ų142161.4 Ų161.476%0.75981%0.814SS**  trans41122.1162.4-58-21.9000118.5
309T32.8Very low30.8Very low138 Ų138163.7 Ų163.785%0.84782%0.821SS**  -146.3144.670.1-66.60000112.8
310K32.2Very low30.9Very low180 Ų180163.3 Ų163.378%0.78382%0.82SS**  trans-113.4160.5171.3-82.1-174.3174.4-179.40110.2
311N31.9Very low30.9Very low148 Ų148163.9 Ų163.979%0.79182%0.822SS**  trans72.2103.8167.4-51.6-15.3000116.2
312L35.6Very low30.8Very low176 Ų176157.4 Ų157.492%0.92181%0.809SS**  -157.7156.4103-103.8156.7000110.4
313K27.9Very low31.1Very low178 Ų178158 Ų15877%0.77481%0.813SS**  trans-155.2154.2-176.4-172.5-175174.3-173.70107.5
314N30.6Very low31Very low129 Ų129158.7 Ų158.769%0.6982%0.816SS**  trans76.7153.8-165.4-49.48000110.7
315E30.9Very low31Very low171 Ų171156.7 Ų156.780%0.79981%0.811SS**  cis-142.3168.513.3-158.3139.8-133.900112.2
316V28.8Very low30.9Very low126 Ų126157.6 Ų157.676%0.76481%0.812SS**  trans-113.1133.5178.2174.20000108.8
317I33.1Very low30.9Very low165 Ų165152.9 Ų152.985%0.84681%0.81SS**  trans-137.4143.1164.9-61-176000108.3
318E31.6Very low30.7Very low175 Ų175153.1 Ų153.182%0.81881%0.812SS**  trans-93.7-176.9-173.1-67.6169.5124.300113.4
319E29.3Very low30.8Very low186 Ų186155.7 Ų155.787%0.86982%0.82SS**  trans-35.3151.6176.1-56.9169.7166.500117.5
320N30.4Very low30.6Very low161 Ų161157.5 Ų157.586%0.86182%0.822SS**  trans-148.8125.6134.9-165.333.5000110.8
321E31.8Very low30.3Very low185 Ų185154.3 Ų154.386%0.86481%0.814SS**  trans-81.9131.5169-64.3-171.6130.300109.8
322G29.9Very low30Very low65 Ų65155.7 Ų155.767%0.6781%0.813SS**  trans149.883.6169.400000115.9
323D33Very low29.6Very low171 Ų171153.3 Ų153.391%0.91481%0.806SS**  -161.8107.1117.7-105.5-20.5000110.7
324L29.9Very low29.5Very low158 Ų158152.8 Ų152.883%0.82781%0.811SS**  trans-81.5174164.8-85157.3000109.5
325L29.4Very low29.3Very low149 Ų149152.7 Ų152.778%0.7882%0.815SS**  trans79.879.1167.5-45.5177.4000117.1
326Q31.2Very low29.3Very low187 Ų187152.5 Ų152.587%0.87481%0.812SS**  -164.3129.6100.9-101.9149.5106.500112.3
327A27.8Very low29.2Very low103 Ų103149.9 Ų149.985%0.85181%0.81SS**  trans-120.593.7177.800000109.7
328T27.5Very low28.9Very low123 Ų123146 Ų14676%0.75580%0.797SS**  trans-153.885.317428.70000110.2
329E30.4Very low29.1Very low195 Ų195144.5 Ų144.591%0.91179%0.788SS**  -172.1123.8114.6-99.9-175.9149.300109.2
330I28.4Very low29.1Very low177 Ų177142.1 Ų142.191%0.90878%0.781SS**  trans-104.391-178.3-59173.2000107.8
331D26.7Very low29Very low112 Ų112141.5 Ų141.560%0.59978%0.778SS**  trans-160.4139.6157.5-139.3-4.8000113.3
332K26.4Very low28.8Very low178 Ų178137 Ų13777%0.77476%0.763SS**  trans57.249.8157.7-62.6147.3-173.41530120.1
333T25.9Very low28.5Very low126 Ų126141.3 Ų141.377%0.77377%0.769SS**  trans-124.486.5159.1430000112.5T335T333-T335 PolarHBondContact O-N 3.46Å
334L26.8Very low28.3Very low167 Ų167137.4 Ų137.487%0.87475%0.753SS**  trans-77.1103.2168.9-142.8160.8000107.6F336L334-F336 PolarHBondContact O-N 3.13Å; L334-F336 VanDerWaalsContact O-N 3.12Å
335T26Very low28.1Very low126 Ų126138.3 Ų138.377%0.77375%0.751SS**  trans-73.5101.6-16432.80000113.2T333T333-T335 PolarHBondContact O-N 3.46Å
336F30.2Very low28Very low168 Ų168136.2 Ų136.274%0.73774%0.744SS**  trans-60.8136.4156.6-73.5-93.5000109.5L334 S338 F339L334-F336 PolarHBondContact O-N 3.13Å; L334-F336 VanDerWaalsContact O-N 3.12Å; F336-S338 PolarHBondContact O-N 3.39Å; F336-F339 HydrophobicContact CB-CD2 4.38Å; F336-F339 HydrophobicContact CB-CE2 3.93Å; F336-F339 HydrophobicContact CD1-CE2 4.23Å; F336-F339 HydrophobicContact CG-CE2 4.3Å
337G28.2Very low27.8Very low70 Ų70131.6 Ų131.672%0.72272%0.723SS**  trans-68.9125.117800000111.7F339G337-F339 PolarHBondContact O-N 3.48Å
338S26Very low27.5Very low83 Ų83131.8 Ų131.858%0.5872%0.719SS**  trans9.897.8168.3-174.40000116.3F336 D340F336-S338 PolarHBondContact O-N 3.39Å; S338-D340 WeakPolarHBondContact CA-OD2 3.5Å; S338-D340 WeakPolarHBondContact CB-OD2 3.45Å; S338-D340 PolarHBondContact O-N 3.18Å; S338-D340 PolarHBondContact OG-OD2 2.98Å
339F36.1Very low27.7Very low144 Ų144130.4 Ų130.463%0.63271%0.709SS**  trans-81.21.6167.8-85.3-77.6000113F336 G337 N341 V342F336-F339 HydrophobicContact CB-CD2 4.38Å; F336-F339 HydrophobicContact CB-CE2 3.93Å; F336-F339 HydrophobicContact CD1-CE2 4.23Å; F336-F339 HydrophobicContact CG-CE2 4.3Å; G337-F339 PolarHBondContact O-N 3.48Å; F339-N341 PolarHBondContact O-N 3.03Å; F339-V342 HydrophobicContact CD1-CG2 4.29Å; F339-V342 PolarHBondContact O-N 3.03Å; F339-V342 VanDerWaalsContact O-N 3.13Å
340D29.7Very low27.6Very low136 Ų136126.1 Ų126.173%0.72770%0.699SS**THydrogen-bonded Turntrans-67.7-12.6-166.8-47.9-78.5000114.8S338S338-D340 WeakPolarHBondContact CA-OD2 3.5Å; S338-D340 WeakPolarHBondContact CB-OD2 3.45Å; S338-D340 PolarHBondContact O-N 3.18Å; S338-D340 PolarHBondContact OG-OD2 2.98Å
341N26.7Very low27.9Very low149 Ų149122.2 Ų122.280%0.79769%0.685SS**THydrogen-bonded Turntrans-115.32.3177.7-75.7-66.2000114.2F339 I343F339-N341 PolarHBondContact O-N 3.03Å; N341-I343 PolarHBondContact O-N 3.44Å
342V28Very low28.3Very low89 Ų89122.2 Ų122.254%0.53968%0.677SS.*  trans-84.799.5169.3-178.10000107.5F339 P344F339-V342 HydrophobicContact CD1-CG2 4.29Å; F339-V342 PolarHBondContact O-N 3.03Å; F339-V342 VanDerWaalsContact O-N 3.13Å; V342-P344 WeakPolarHBondContact O-CD 2.8Å
343I24.7Very low28.9Very low156 Ų156118.4 Ų118.480%0.867%0.67SS**  trans-69.8110.2168.3-59.7174.6000107.1N341 F345N341-I343 PolarHBondContact O-N 3.44Å; I343-F345 PolarHBondContact O-N 2.76Å
344P27.7Very low29.5Very low90 Ų90118.1 Ų118.158%0.58466%0.66SS**  trans-64129.8168.928.1-33.2000108V342 V346V342-P344 WeakPolarHBondContact O-CD 2.8Å; P344-V346 HydrophobicContact CB-CG2 3.94Å; P344-V346 HydrophobicContact CG-CG2 3.86Å; P344-V346 PolarHBondContact O-N 3.32Å
345F26.7Very low30.1Very low177 Ų177112.9 Ų112.978%0.77664%0.641SS**  trans-74.172.6172.4-165.8-97000109.8I343 M347I343-F345 PolarHBondContact O-N 2.76Å; F345-M347 HydrophobicContact CD1-CE 4.24Å; F345-M347 HydrophobicContact CD1-CG 4.15Å; F345-M347 HydrophobicContact CE1-CE 4.22Å; F345-M347 HydrophobicContact CE1-CG 3.76Å; F345-M347 HydrophobicContact CE1-SD 4.39Å; F345-M347 PolarHBondContact O-N 2.97Å
346V26.8Very low30.8Very low105 Ų105111.1 Ų111.164%0.63663%0.626SS**  trans-69.596.41771800000107.9P344 S348P344-V346 HydrophobicContact CB-CG2 3.94Å; P344-V346 HydrophobicContact CG-CG2 3.86Å; P344-V346 PolarHBondContact O-N 3.32Å; V346-S348 VanDerWaalsContact C-N 3.26Å; V346-S348 PolarHBondContact O-N 3.15Å
347M26.2Very low31.2Very low90 Ų90110.4 Ų110.444%0.44362%0.623SS.*  trans-62.896.2158.7-86.7-178.7-89.300107.8S78 V80 F345 V349S78-M347 VanDerWaalsContact O-SD 3.34Å; V80-M347 HydrophobicContact CB-CE 4.36Å; V80-M347 HydrophobicContact CG2-CE 3.58Å; F345-M347 HydrophobicContact CD1-CE 4.24Å; F345-M347 HydrophobicContact CD1-CG 4.15Å; F345-M347 HydrophobicContact CE1-CE 4.22Å; F345-M347 HydrophobicContact CE1-CG 3.76Å; F345-M347 HydrophobicContact CE1-SD 4.39Å; F345-M347 PolarHBondContact O-N 2.97Å; M347-V349 PolarHBondContact O-N 3.47Å
348S23.5Very low31.7Very low107 Ų107112.3 Ų112.375%0.74862%0.616SS**  trans-70.187.5-167.659.10000111.8V346V346-S348 VanDerWaalsContact C-N 3.26Å; V346-S348 PolarHBondContact O-N 3.15Å
349V31.6Very low32.5Very low93 Ų93110.6 Ų110.656%0.56461%0.607SS**  trans-116.1118.2170.5-177.70000108M347M347-V349 PolarHBondContact O-N 3.47Å
350P27.9Very low33Very low105 Ų105108.4 Ų108.468%0.68260%0.601SS**PPolyproline II helixtrans-65143.8-178.326.9-34.2000110.5R352P350-R352 PolarHBondContact O-N 3.41Å
351P33.8Very low33.9Very low96 Ų96106.8 Ų106.862%0.62359%0.592SS**PPolyproline II helixtrans-60.8127.7179.625.5-34000109.9L356P351-L356 HydrophobicContact CG-CD1 4.47Å
352R36.4Very low34.7Very low112 Ų112104.5 Ų104.542%0.42358%0.58SS.*PPolyproline II helixtrans-58144.9174.6-72.2-160.2-171.1178.96.1110.2N104 P350 E354 A355 L356N104-R352 VanDerWaalsContact CG-NH2 3.27Å; N104-R352 PolarHBondContact OD1-NH2 3.49Å; P350-R352 PolarHBondContact O-N 3.41Å; R352-E354 HydrophobicContact CB-CB 4.31Å; R352-E354 WeakPolarHBondContact CD-OE2 3.45Å; R352-E354 IonicContact CZ-OE2 2.77Å; R352-E354 IonicContact NE-OE2 3.77Å; R352-E354 IonicContact NH1-OE2 3.65Å; R352-E354 PolarHBondContact NH1-OE2 2.95Å; R352-E354 PolarHBondContact O-N 2.88Å; R352-A355 PolarHBondContact O-N 3.23Å; R352-L356 PolarHBondContact O-N 3.14Å; R352-L356 VanDerWaalsContact O-N 3.08Å
353P38.3Very low35.5Very low98 Ų98105 Ų10564%0.63658%0.579SS**Hα-helixtrans-60.5-18.6173.626.2-35.1000112.9K357P353-K357 WeakPolarHBondContact O-CB 3.45Å; P353-K357 WeakPolarHBondContact O-CG 3.32Å; P353-K357 PolarHBondContact O-N 3.48Å
354E38.3Very low36.6Very low119 Ų119100.4 Ų100.456%0.55656%0.561SS**Hα-helixtrans-69-47.5172.5-63.1162.8157.300111.9R352 L356 K357 L358R352-E354 HydrophobicContact CB-CB 4.31Å; R352-E354 WeakPolarHBondContact CD-OE2 3.45Å; R352-E354 IonicContact CZ-OE2 2.77Å; R352-E354 IonicContact NE-OE2 3.77Å; R352-E354 IonicContact NH1-OE2 3.65Å; R352-E354 PolarHBondContact NH1-OE2 2.95Å; R352-E354 PolarHBondContact O-N 2.88Å; E354-L356 VanDerWaalsContact C-N 3.35Å; E354-K357 WeakPolarHBondContact O-CB 3.37Å; E354-K357 PolarHBondContact O-N 2.94Å; E354-L358 PolarHBondContact O-N 2.94Å
355A40Very low37.4Very low58 Ų58102.5 Ų102.548%0.47956%0.563SS.*Hα-helixtrans-67.1-37.8175.400000111.5R352 K357 L358 A359R352-A355 PolarHBondContact O-N 3.23Å; A355-K357 VanDerWaalsContact C-N 3.33Å; A355-K357 PolarHBondContact O-N 2.7Å; A355-L358 PolarHBondContact O-N 3.38Å; A355-L358 VanDerWaalsContact O-N 3.16Å; A355-A359 WeakPolarHBondContact O-CB 3.38Å; A355-A359 PolarHBondContact O-N 3.48Å
356L39.4Very low38.1Very low89 Ų89102.4 Ų102.447%0.46656%0.562SS.*Hα-helixtrans-65.7-35.8176.3-139.9157.5000111.6P351 R352 E354 N360P351-L356 HydrophobicContact CG-CD1 4.47Å; R352-L356 PolarHBondContact O-N 3.14Å; R352-L356 VanDerWaalsContact O-N 3.08Å; E354-L356 VanDerWaalsContact C-N 3.35Å; L356-N360 WeakPolarHBondContact O-CB 3.32Å; L356-N360 PolarHBondContact O-N 3.08Å; L356-N360 VanDerWaalsContact O-N 3.15Å; L356-N360 PolarHBondContact O-ND2 2.94Å
357K40.1Very low39Very low152 Ų152103.6 Ų103.666%0.66156%0.564SS**Hα-helixtrans-65.3-43.1168.2-81.9177.7176.9-177.70112.7P353 E354 A355 N360 L361P353-K357 WeakPolarHBondContact O-CB 3.45Å; P353-K357 WeakPolarHBondContact O-CG 3.32Å; P353-K357 PolarHBondContact O-N 3.48Å; E354-K357 WeakPolarHBondContact O-CB 3.37Å; E354-K357 PolarHBondContact O-N 2.94Å; A355-K357 VanDerWaalsContact C-N 3.33Å; A355-K357 PolarHBondContact O-N 2.7Å; K357-N360 PolarHBondContact O-N 3.26Å; K357-L361 WeakPolarHBondContact O-CG 3.36Å; K357-L361 PolarHBondContact O-N 3.19Å
358L38.3Very low39.8Very low111 Ų111104.9 Ų104.958%0.58158%0.577SS**Hα-helixtrans-66.7-43.5-178.7-154.280.3000111.9E354 A355 N360 L361 L362E354-L358 PolarHBondContact O-N 2.94Å; A355-L358 PolarHBondContact O-N 3.38Å; A355-L358 VanDerWaalsContact O-N 3.16Å; L358-N360 VanDerWaalsContact C-N 3.35Å; L358-N360 PolarHBondContact O-N 3.05Å; L358-L361 PolarHBondContact O-N 2.88Å; L358-L362 HydrophobicContact CG-CD1 4.41Å; L358-L362 WeakPolarHBondContact O-CG 3.06Å; L358-L362 PolarHBondContact O-N 2.87Å
359A42.1Very low40.5Very low47 Ų47108.4 Ų108.439%0.38858%0.581SS.*Hα-helixtrans-61.2-41.9174.800000112A355 L362 N363A355-A359 WeakPolarHBondContact O-CB 3.38Å; A355-A359 PolarHBondContact O-N 3.48Å; A359-L362 PolarHBondContact O-N 3.01Å; A359-N363 WeakPolarHBondContact O-CB 3.33Å; A359-N363 PolarHBondContact O-N 3.38Å
360N48Very low40.9Very low97 Ų97113.4 Ų113.452%0.51961%0.612SS.*Hα-helixtrans-66.2-37.1175.2-73.4-10.2000112.5L356 K357 L358 S364L356-N360 WeakPolarHBondContact O-CB 3.32Å; L356-N360 PolarHBondContact O-N 3.08Å; L356-N360 VanDerWaalsContact O-N 3.15Å; L356-N360 PolarHBondContact O-ND2 2.94Å; K357-N360 PolarHBondContact O-N 3.26Å; L358-N360 VanDerWaalsContact C-N 3.35Å; L358-N360 PolarHBondContact O-N 3.05Å; N360-S364 VanDerWaalsContact O-CB 3.32Å; N360-S364 WeakPolarHBondContact O-CB 3.37Å; N360-S364 PolarHBondContact O-N 3.3Å; N360-S364 PolarHBondContact O-OG 2.73Å
361L47.5Very low41.6Very low102 Ų102113.8 Ų113.853%0.53461%0.609SS.*Hα-helixtrans-64.1-49.5174.3-78.8165.3000111.6K357 L358 N363 S364 Q365K357-L361 WeakPolarHBondContact O-CG 3.36Å; K357-L361 PolarHBondContact O-N 3.19Å; L358-L361 PolarHBondContact O-N 2.88Å; L361-N363 PolarHBondContact O-N 3.04Å; L361-S364 PolarHBondContact O-N 3.4Å; L361-S364 VanDerWaalsContact O-N 3.14Å; L361-S364 PolarHBondContact O-OG 2.8Å; L361-Q365 PolarHBondContact O-N 3.13Å
362L42.6Very low42Very low102 Ų102114.7 Ų114.753%0.53461%0.608SS.*Hα-helixtrans-62.1-43.2179.1-69.5167000112L358 A359 S364 Q365 K366L358-L362 HydrophobicContact CG-CD1 4.41Å; L358-L362 WeakPolarHBondContact O-CG 3.06Å; L358-L362 PolarHBondContact O-N 2.87Å; A359-L362 PolarHBondContact O-N 3.01Å; L362-S364 VanDerWaalsContact C-N 3.34Å; L362-S364 PolarHBondContact O-N 3.39Å; L362-Q365 PolarHBondContact O-N 3.5Å; L362-K366 PolarHBondContact O-N 3.12Å; L362-K366 VanDerWaalsContact O-N 3.13Å
363N46.1Very low42.3Very low99 Ų99114.9 Ų114.953%0.52962%0.618SS.*Hα-helixtrans-66-34.1174.2-76.1-20.7000112.4A359 L361 K366 I367A359-N363 WeakPolarHBondContact O-CB 3.33Å; A359-N363 PolarHBondContact O-N 3.38Å; L361-N363 PolarHBondContact O-N 3.04Å; N363-K366 PolarHBondContact O-N 3.41Å; N363-I367 WeakPolarHBondContact O-CD1 3.36Å; N363-I367 WeakPolarHBondContact O-CG1 3.36Å
364S46.8Very low42.5Very low60 Ų60115.9 Ų115.942%0.4262%0.617SS.*Hα-helixtrans-67.8-37.5176730000112.9N360 L361 L362 I367 T368N360-S364 VanDerWaalsContact O-CB 3.32Å; N360-S364 WeakPolarHBondContact O-CB 3.37Å; N360-S364 PolarHBondContact O-N 3.3Å; N360-S364 PolarHBondContact O-OG 2.73Å; L361-S364 PolarHBondContact O-N 3.4Å; L361-S364 VanDerWaalsContact O-N 3.14Å; L361-S364 PolarHBondContact O-OG 2.8Å; L362-S364 VanDerWaalsContact C-N 3.34Å; L362-S364 PolarHBondContact O-N 3.39Å; S364-I367 PolarHBondContact O-N 3.48Å; S364-T368 PolarHBondContact O-OG1 2.58Å
365Q44.4Very low42.8Very low133 Ų133115.7 Ų115.762%0.62162%0.621SS**Hα-helixtrans-66.5-42175.2-72.6-177.4-37.900111.4L361 L362 I367 T368L361-Q365 PolarHBondContact O-N 3.13Å; L362-Q365 PolarHBondContact O-N 3.5Å; Q365-I367 PolarHBondContact O-N 3.07Å; Q365-T368 PolarHBondContact O-N 3.22Å
366K42Very low43Very low175 Ų175119.5 Ų119.576%0.76163%0.631SS**THydrogen-bonded Turntrans-67.7-3.3-179.4-152174.2-176178.90115L362 N363L362-K366 PolarHBondContact O-N 3.12Å; L362-K366 VanDerWaalsContact O-N 3.13Å; N363-K366 PolarHBondContact O-N 3.41Å
367I46.7Very low43.2Very low131 Ų131121.7 Ų121.767%0.67264%0.642SS**THydrogen-bonded Turntrans-103.1-2.2175.1-64.8165.9000111.4N363 S364 Q365N363-I367 WeakPolarHBondContact O-CD1 3.36Å; N363-I367 WeakPolarHBondContact O-CG1 3.36Å; S364-I367 PolarHBondContact O-N 3.48Å; Q365-I367 PolarHBondContact O-N 3.07Å
368T41.1Very low43.4Very low116 Ų116119.4 Ų119.471%0.71264%0.641SS**SBendtrans-100.55.7-177-40.60000113.3S364 Q365S364-T368 PolarHBondContact O-OG1 2.58Å; Q365-T368 PolarHBondContact O-N 3.22Å
369E39.9Very low43.9Very low181 Ų181120.1 Ų120.185%0.84665%0.646SS**  trans-123.356.7179.6-66-170.315300112.3
370T39.3Very low44Very low198 Ų198126.7 Ų126.7100%1.21567%0.669SS**  trans-147.60167.152.70000110.8

Retrieved 370 of 370 residues in 676.5 ms (Link to these results)

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