G4VDJ0_SCHMA Loading...

Cdc50-related

AlphaFold DB (A0A3Q0KVC5), UniProt , Accession G4VDJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 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
1M43.5Very low54.8Low236 Ų236156.7 Ų156.7100%1.16387%0.865SS**  092.30-61.9-175.5-171.400106.5
2S46.4Very low56.5Low121 Ų121151.4 Ų151.485%0.84685%0.847SS**  96.6104.293.7-60.10000110.3
3A50.8Low58.6Low92 Ų92158.9 Ų158.976%0.7685%0.854SS**  trans-172.687.7145.300000108.9L5A3-L5 PolarHBondContact O-N 3.42Å
4Q49.8Very low60.5Low199 Ų199159.2 Ų159.293%0.9384%0.844SS**  trans-68107.4156.1-76.7173.7-45.600107.1
5L57.7Low62.2Low159 Ų159154.6 Ų154.683%0.83283%0.826SS**  trans-93.2115.3166-92.4159.5000107.9A3 E7A3-L5 PolarHBondContact O-N 3.42Å; L5-E7 PolarHBondContact O-N 3.18Å; L5-E7 VanDerWaalsContact O-N 3.13Å
6L52.9Low63.7Low166 Ų166156.4 Ų156.487%0.86982%0.818SS**  trans-56108.8168.9-84.385.9000109.7T8L6-T8 PolarHBondContact O-N 2.85Å
7E59.2Low65.2Low190 Ų190155 Ų15589%0.88881%0.811SS**  trans-81.8109.8164-82.5-171.9156.100109.6L5L5-E7 PolarHBondContact O-N 3.18Å; L5-E7 VanDerWaalsContact O-N 3.13Å
8T58.5Low66.6Low123 Ų123149.1 Ų149.176%0.75579%0.785SS**  trans-52.3141.9166.730.10000110L6 S10L6-T8 PolarHBondContact O-N 2.85Å; T8-S10 PolarHBondContact O-N 2.95Å
9P58.8Low67.9Low125 Ų125143.7 Ų143.781%0.81276%0.764SS**  trans-58.6114-177.923.4-30.7000108.6K11P9-K11 PolarHBondContact O-N 3.32Å
10S60.8Low69.1Low112 Ų112143.5 Ų143.578%0.78376%0.756SS**  trans-40.8111.9177160.10000110.2T8 S12T8-S10 PolarHBondContact O-N 2.95Å; S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.43Å
11K64.6Low70.2Confident201 Ų201141.7 Ų141.787%0.87474%0.743SS**  trans-59.699.4169.1-104.3-178.8178.3174.30107P9 R13P9-K11 PolarHBondContact O-N 3.32Å; K11-R13 PolarHBondContact O-N 2.91Å
12S75.3Confident72.6Confident93 Ų93133.6 Ų133.665%0.6570%0.702SS**  trans-54.1124.1179.2179.90000110S10 K14S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.43Å; S12-K14 PolarHBondContact O-N 2.88Å; S12-K14 WeakPolarHBondContact OG-CB 3Å; S12-K14 PolarHBondContact OG-N 3.15Å
13R84Confident74.8Confident249 Ų249136.6 Ų136.694%0.9470%0.703SS**  trans-75.99.6174-64.3-175.6-179.4-176.50.6112.5K11 P15K11-R13 PolarHBondContact O-N 2.91Å; R13-P15 WeakPolarHBondContact O-CD 3.33Å
14K85.1Confident76.8Confident163 Ų163139.6 Ų139.671%0.70970%0.698SS**PPolyproline II helixtrans-68.1122.3-179.6-169.5173.3-176.2175.30109.7S12S12-K14 PolarHBondContact O-N 2.88Å; S12-K14 WeakPolarHBondContact OG-CB 3Å; S12-K14 PolarHBondContact OG-N 3.15Å
15P85.3Confident78.9Confident90 Ų90134.9 Ų134.958%0.58468%0.679SS**PPolyproline II helixtrans-63.7151.417824.3-31.8000111R13 N17R13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-N17 PolarHBondContact O-N 3.35Å
16R87.2Confident80.6Confident184 Ų184133.5 Ų133.569%0.69468%0.68SS**PPolyproline II helixtrans-59.5123.8178.6-69.2-178.7176.9179.5-1.7109.8S18 F21 Q22R16-S18 VanDerWaalsContact C-N 3.35Å; R16-S18 PolarHBondContact O-N 3.16Å; R16-F21 HydrophobicContact CB-CB 4.25Å; R16-F21 HydrophobicContact CB-CD2 3.49Å; R16-F21 VanDerWaalsContact CB-CD2 3.49Å; R16-F21 HydrophobicContact CB-CE2 4.04Å; R16-F21 HydrophobicContact CB-CG 3.89Å; R16-F21 HydrophobicContact CG-CD2 4.37Å; R16-F21 HydrophobicContact CG-CE2 4.47Å; R16-F21 VanDerWaalsContact O-CB 3.28Å; R16-F21 WeakPolarHBondContact O-CB 3.32Å; R16-Q22 PolarHBondContact O-NE2 2.87Å
17N88.4Confident82.6Confident132 Ų132129.1 Ų129.171%0.70667%0.668SS**  trans-92.761.6-177.9-168.721.3000111.3P15P15-N17 PolarHBondContact O-N 3.35Å
18S90.1Very high84.2Confident48 Ų48130.7 Ų130.734%0.33667%0.665SS.*SBendtrans-109.9154.7168.786.90000110.2R16 F20 F21 Q22R16-S18 VanDerWaalsContact C-N 3.35Å; R16-S18 PolarHBondContact O-N 3.16Å; S18-F20 PolarHBondContact O-N 2.8Å; S18-F20 VanDerWaalsContact O-N 3.14Å; S18-F20 PolarHBondContact OG-N 2.89Å; S18-F21 PolarHBondContact O-N 3.43Å; S18-F21 VanDerWaalsContact O-N 3.08Å; S18-F21 WeakPolarHBondContact OG-CD2 3.33Å; S18-F21 PolarHBondContact OG-N 2.72Å; S18-Q22 WeakPolarHBondContact O-CB 3.49Å; S18-Q22 WeakPolarHBondContact O-CG 3.47Å; S18-Q22 PolarHBondContact O-N 3.24Å
19A91.3Very high85.8Confident47 Ų47132.7 Ų132.739%0.38867%0.666SS.*THydrogen-bonded Turntrans-54.7-33.2177.900000112.8Q23 K24 L25A19-Q23 PolarHBondContact O-N 3.44Å; A19-K24 CarbonylContact O-C 3.44Å; A19-K24 PolarHBondContact O-N 2.91Å; A19-L25 HydrophobicContact CB-CD2 4.3Å; A19-L25 PolarHBondContact O-N 2.96Å
20F93.7Very high87.2Confident139 Ų139129.2 Ų129.261%0.6164%0.644SS**THydrogen-bonded Turntrans-65.3-53.7173.8-178.8-98.2000112S18 Q22 Q23 L25S18-F20 PolarHBondContact O-N 2.8Å; S18-F20 VanDerWaalsContact O-N 3.14Å; S18-F20 PolarHBondContact OG-N 2.89Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 3.2Å; F20-Q23 PolarHBondContact O-N 3.35Å; F20-L25 HydrophobicContact CB-CD2 4.42Å; F20-L25 HydrophobicContact CD2-CD1 4.15Å
21F91.2Very high88.5Confident106 Ų106130.5 Ų130.547%0.46564%0.639SS.*THydrogen-bonded Turntrans-70.6-26.1-177.2-69.1-65.6000113.5R16 S18R16-F21 HydrophobicContact CB-CB 4.25Å; R16-F21 HydrophobicContact CB-CD2 3.49Å; R16-F21 VanDerWaalsContact CB-CD2 3.49Å; R16-F21 HydrophobicContact CB-CE2 4.04Å; R16-F21 HydrophobicContact CB-CG 3.89Å; R16-F21 HydrophobicContact CG-CD2 4.37Å; R16-F21 HydrophobicContact CG-CE2 4.47Å; R16-F21 VanDerWaalsContact O-CB 3.28Å; R16-F21 WeakPolarHBondContact O-CB 3.32Å; S18-F21 PolarHBondContact O-N 3.43Å; S18-F21 VanDerWaalsContact O-N 3.08Å; S18-F21 WeakPolarHBondContact OG-CD2 3.33Å; S18-F21 PolarHBondContact OG-N 2.72Å
22Q93.9Very high89.6Confident66 Ų66129 Ų12931%0.30863%0.633SS.*THydrogen-bonded Turntrans-93.25.1179.4-59.9-60.2-41.600112.9R16 S18 F20 K24R16-Q22 PolarHBondContact O-NE2 2.87Å; S18-Q22 WeakPolarHBondContact O-CB 3.49Å; S18-Q22 WeakPolarHBondContact O-CG 3.47Å; S18-Q22 PolarHBondContact O-N 3.24Å; F20-Q22 VanDerWaalsContact C-N 3.3Å; F20-Q22 PolarHBondContact O-N 3.2Å; Q22-K24 HydrophobicContact CB-CD 4.27Å; Q22-K24 HydrophobicContact CB-CG 4.25Å; Q22-K24 WeakPolarHBondContact O-CG 3.27Å; Q22-K24 PolarHBondContact O-N 3.35Å
23Q92.3Very high90.3Very high185 Ų185127.6 Ų127.686%0.86462%0.621SS**THydrogen-bonded Turntrans54.834.8-176.9-57.9179.5-11.200113.4A19 F20A19-Q23 PolarHBondContact O-N 3.44Å; F20-Q23 PolarHBondContact O-N 3.35Å
24K92.6Very high90.6Very high154 Ų154117.2 Ų117.267%0.6759%0.588SS**  trans-110.130.1177.9-63.6179.4-175.8-179.10111.8A19 Q22A19-K24 CarbonylContact O-C 3.44Å; A19-K24 PolarHBondContact O-N 2.91Å; Q22-K24 HydrophobicContact CB-CD 4.27Å; Q22-K24 HydrophobicContact CB-CG 4.25Å; Q22-K24 WeakPolarHBondContact O-CG 3.27Å; Q22-K24 PolarHBondContact O-N 3.35Å
25L94.5Very high91Very high101 Ų101114.7 Ų114.753%0.52958%0.577SS.*  trans-62.2142.4172.1-71.3177.4000109.5A19 F20 A27A19-L25 HydrophobicContact CB-CD2 4.3Å; A19-L25 PolarHBondContact O-N 2.96Å; F20-L25 HydrophobicContact CB-CD2 4.42Å; F20-L25 HydrophobicContact CD2-CD1 4.15Å; L25-A27 PolarHBondContact O-N 3.32Å; L25-A27 VanDerWaalsContact O-N 3.13Å
26P93.8Very high91.3Very high129 Ų129116.3 Ų116.384%0.83858%0.575SS**  trans-59.7121.1172.626.5-33.3000108.6
27A93.9Very high91.7Very high75 Ų75108.4 Ų108.462%0.6255%0.548SS*.  trans-125.9139-179.200000109.8L25L25-A27 PolarHBondContact O-N 3.32Å; L25-A27 VanDerWaalsContact O-N 3.13Å
28W93.7Very high92Very high222 Ų222102.1 Ų102.184%0.84151%0.514SS*.  trans-88122168.317956.6000109P30W28-P30 HydrophobicContact CD2-CB 4.43Å; W28-P30 HydrophobicContact CD2-CG 4.25Å; W28-P30 HydrophobicContact CE3-CG 4.08Å; W28-P30 HydrophobicContact CH2-CB 3.96Å; W28-P30 HydrophobicContact CH2-CG 4.07Å; W28-P30 HydrophobicContact CZ2-CB 3.75Å; W28-P30 HydrophobicContact CZ2-CG 4.23Å; W28-P30 HydrophobicContact CZ3-CB 4.38Å; W28-P30 HydrophobicContact CZ3-CG 3.99Å; W28-P30 WeakPolarHBondContact O-CD 3.43Å
29Q91.1Very high92.2Very high165 Ų165104 Ų10477%0.77152%0.519SS*.  trans-115.378.9-176.8-66.4-179.8-31.500109.9M31Q29-M31 PolarHBondContact O-N 2.88Å; Q29-M31 VanDerWaalsContact O-N 3.13Å
30P88.3Confident92.4Very high52 Ų52103.7 Ų103.734%0.33852%0.517SS..  trans-65.1116.9-179.626.1-32.8000110.5W28 F32W28-P30 HydrophobicContact CD2-CB 4.43Å; W28-P30 HydrophobicContact CD2-CG 4.25Å; W28-P30 HydrophobicContact CE3-CG 4.08Å; W28-P30 HydrophobicContact CH2-CB 3.96Å; W28-P30 HydrophobicContact CH2-CG 4.07Å; W28-P30 HydrophobicContact CZ2-CB 3.75Å; W28-P30 HydrophobicContact CZ2-CG 4.23Å; W28-P30 HydrophobicContact CZ3-CB 4.38Å; W28-P30 HydrophobicContact CZ3-CG 3.99Å; W28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-F32 HydrophobicContact CB-CE2 4.32Å; P30-F32 HydrophobicContact CB-CZ 4.35Å; P30-F32 HydrophobicContact CG-CE2 4.24Å; P30-F32 HydrophobicContact CG-CZ 4.46Å
31M87.6Confident92.6Very high140 Ų140100 Ų10069%0.6950%0.501SS*.  trans-88.1111.5171.2-62.9-172.675.800110Q29 T33 K36Q29-M31 PolarHBondContact O-N 2.88Å; Q29-M31 VanDerWaalsContact O-N 3.13Å; M31-T33 PolarHBondContact O-N 3.19Å; M31-T33 VanDerWaalsContact O-N 3.16Å; M31-K36 WeakPolarHBondContact O-CD 3.36Å
32F88.4Confident92.9Very high168 Ų16896.5 Ų96.574%0.73749%0.489SS*.  trans-81.385.1175.2-65.5-75.9000110.7P30P30-F32 HydrophobicContact CB-CE2 4.32Å; P30-F32 HydrophobicContact CB-CZ 4.35Å; P30-F32 HydrophobicContact CG-CE2 4.24Å; P30-F32 HydrophobicContact CG-CZ 4.46Å
33T90.5Very high93Very high65 Ų6597.2 Ų97.240%0.39950%0.497SS..  trans-79156172.163.40000110.7M31 K35 K36 S37M31-T33 PolarHBondContact O-N 3.19Å; M31-T33 VanDerWaalsContact O-N 3.16Å; T33-K35 PolarHBondContact O-N 3.45Å; T33-K35 VanDerWaalsContact O-N 3.13Å; T33-K36 PolarHBondContact O-N 3.25Å; T33-K36 PolarHBondContact OG1-N 2.95Å; T33-S37 PolarHBondContact O-N 3.49Å; T33-S37 PolarHBondContact O-OG 3.38Å
34A90.8Very high93.3Very high30 Ų3094.3 Ų94.325%0.24848%0.482CS..Hα-helixtrans-51.4-39177.600000112.7G38 F323 H327A34-G38 PolarHBondContact O-N 3.21Å; A34-F323 HydrophobicContact CB-CD1 4.34Å; A34-H327 HydrophobicContact CB-CB 4.09Å
35K91.8Very high93.5Very high110 Ų11087 Ų8748%0.47845%0.45SS..Hα-helixtrans-59.9-51.3173.7-177.1176.9179.7175.70112.5T33 G38 I39T33-K35 PolarHBondContact O-N 3.45Å; T33-K35 VanDerWaalsContact O-N 3.13Å; K35-G38 PolarHBondContact O-N 2.9Å; K35-I39 HydrophobicContact CG-CD1 4.03Å; K35-I39 VanDerWaalsContact O-CG1 3.29Å; K35-I39 WeakPolarHBondContact O-CG1 3.29Å; K35-I39 PolarHBondContact O-N 2.89Å
36K92.9Very high93.7Very high124 Ų12487 Ų8754%0.53945%0.45SS..Hα-helixtrans-66.1-44-177.6-71.6179.8-178.7179.30111.2M31 T33 A40M31-K36 WeakPolarHBondContact O-CD 3.36Å; T33-K36 PolarHBondContact O-N 3.25Å; T33-K36 PolarHBondContact OG1-N 2.95Å; K36-A40 WeakPolarHBondContact O-CB 3.07Å; K36-A40 PolarHBondContact O-N 3.43Å
37S94.1Very high93.9Very high19 Ų1984.7 Ų84.713%0.13343%0.433CS..Hα-helixtrans-64.1-44.7176.6-57.20000111.6T33 I39 A40 F41T33-S37 PolarHBondContact O-N 3.49Å; T33-S37 PolarHBondContact O-OG 3.38Å; S37-I39 PolarHBondContact O-N 3.47Å; S37-A40 PolarHBondContact O-N 3.48Å; S37-F41 WeakPolarHBondContact O-CB 3.41Å; S37-F41 WeakPolarHBondContact O-CD2 3.37Å; S37-F41 PolarHBondContact O-N 3.03Å
38G95.1Very high94.1Very high0 Ų083.1 Ų83.10%041%0.414CS..Hα-helixtrans-59.1-45.1177.800000112.8A34 K35 T42A34-G38 PolarHBondContact O-N 3.21Å; K35-G38 PolarHBondContact O-N 2.9Å; G38-T42 WeakPolarHBondContact O-CB 3.44Å; G38-T42 PolarHBondContact O-N 2.88Å; G38-T42 PolarHBondContact O-OG1 3.18Å
39I95.3Very high94.3Very high86 Ų8674.6 Ų74.644%0.44139%0.385SS..Hα-helixtrans-62.3-49.1174.1-66.3166.7000110.6K35 S37 F41 T42 V43K35-I39 HydrophobicContact CG-CD1 4.03Å; K35-I39 VanDerWaalsContact O-CG1 3.29Å; K35-I39 WeakPolarHBondContact O-CG1 3.29Å; K35-I39 PolarHBondContact O-N 2.89Å; S37-I39 PolarHBondContact O-N 3.47Å; I39-F41 PolarHBondContact O-N 3.26Å; I39-T42 PolarHBondContact O-N 3.34Å; I39-V43 HydrophobicContact CG2-CG2 4.33Å; I39-V43 WeakPolarHBondContact O-CG2 3.3Å; I39-V43 PolarHBondContact O-N 2.94Å
40A95.9Very high94.6Very high42 Ų4270 Ų7035%0.34737%0.369SS..Hα-helixtrans-59.6-49.1-178.600000112.2K36 S37 T42 V43 F44K36-A40 WeakPolarHBondContact O-CB 3.07Å; K36-A40 PolarHBondContact O-N 3.43Å; S37-A40 PolarHBondContact O-N 3.48Å; A40-T42 VanDerWaalsContact C-N 3.34Å; A40-T42 PolarHBondContact O-N 3.48Å; A40-V43 PolarHBondContact O-N 3.36Å; A40-F44 WeakPolarHBondContact O-CD2 3.34Å; A40-F44 PolarHBondContact O-N 2.89Å
41F97.5Very high95.1Very high60 Ų6071.3 Ų71.326%0.26337%0.372SS..Hα-helixtrans-61-42.3177-75.3-57.3000111.9S37 I39 V43 F44 G45 H316 F323S37-F41 WeakPolarHBondContact O-CB 3.41Å; S37-F41 WeakPolarHBondContact O-CD2 3.37Å; S37-F41 PolarHBondContact O-N 3.03Å; I39-F41 PolarHBondContact O-N 3.26Å; F41-V43 PolarHBondContact O-N 3.41Å; F41-F44 PolarHBondContact O-N 2.76Å; F41-G45 PolarHBondContact O-N 2.98Å; F41-H316 WeakPolarHBondContact CB-O 3.34Å; F41-H316 AromaticContact CD1-CD2 3.6Å; F41-H316 WeakPolarHBondContact O-CB 3.15Å; F41-F323 AromaticContact CD2-CD2 3.63Å; F41-F323 HydrophobicContact CD2-CD2 3.63Å; F41-F323 AromaticContact CD2-CE2 3.7Å; F41-F323 HydrophobicContact CD2-CE2 3.7Å; F41-F323 AromaticContact CE2-CD2 3.85Å; F41-F323 HydrophobicContact CE2-CD2 3.85Å; F41-F323 AromaticContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CE2 3.41Å; F41-F323 VanDerWaalsContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CZ 4.28Å; F41-F323 HydrophobicContact CZ-CE2 4.44Å
42T96.8Very high95.6Very high34 Ų3464.7 Ų64.721%0.20934%0.34CS..Hα-helixtrans-61.6-44176.8-550000111.4G38 I39 A40 G45 I46G38-T42 WeakPolarHBondContact O-CB 3.44Å; G38-T42 PolarHBondContact O-N 2.88Å; G38-T42 PolarHBondContact O-OG1 3.18Å; I39-T42 PolarHBondContact O-N 3.34Å; A40-T42 VanDerWaalsContact C-N 3.34Å; A40-T42 PolarHBondContact O-N 3.48Å; T42-G45 PolarHBondContact O-N 3.07Å; T42-I46 HydrophobicContact CG2-CD1 3.83Å; T42-I46 HydrophobicContact CG2-CG1 4.46Å; T42-I46 VanDerWaalsContact O-CG1 3.3Å; T42-I46 WeakPolarHBondContact O-CG1 3.32Å; T42-I46 PolarHBondContact O-N 3.08Å
43V97.2Very high96.1Very high81 Ų8160.8 Ų60.849%0.49133%0.325SS..Hα-helixtrans-63-47.4177.2171.20000111.3I39 A40 F41 G45 I46 V47I39-V43 HydrophobicContact CG2-CG2 4.33Å; I39-V43 WeakPolarHBondContact O-CG2 3.3Å; I39-V43 PolarHBondContact O-N 2.94Å; A40-V43 PolarHBondContact O-N 3.36Å; F41-V43 PolarHBondContact O-N 3.41Å; V43-G45 VanDerWaalsContact C-N 3.29Å; V43-G45 PolarHBondContact O-N 3.29Å; V43-I46 PolarHBondContact O-N 2.99Å; V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.31Å
44F97.3Very high96.4Very high123 Ų12361.3 Ų61.354%0.53933%0.328SS..Hα-helixtrans-59.1-42176-77.9-59.7000111.9A40 F41 V47 L48A40-F44 WeakPolarHBondContact O-CD2 3.34Å; A40-F44 PolarHBondContact O-N 2.89Å; F41-F44 PolarHBondContact O-N 2.76Å; F44-V47 PolarHBondContact O-N 3.31Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.48Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.4Å; F44-L48 PolarHBondContact O-N 2.83Å
45G97.8Very high96.7Very high0 Ų060.8 Ų60.80%032%0.321CS..Hα-helixtrans-60.1-49.8175.500000113F41 T42 V43 V47 L48 I49 G313F41-G45 PolarHBondContact O-N 2.98Å; T42-G45 PolarHBondContact O-N 3.07Å; V43-G45 VanDerWaalsContact C-N 3.29Å; V43-G45 PolarHBondContact O-N 3.29Å; G45-V47 PolarHBondContact O-N 3.34Å; G45-L48 PolarHBondContact O-N 3.48Å; G45-I49 WeakPolarHBondContact O-CG1 3.48Å; G45-I49 PolarHBondContact O-N 2.91Å; G45-I49 VanDerWaalsContact O-N 3.08Å; G45-G313 WeakPolarHBondContact CA-O 3.5Å
46I97.6Very high97Very high103 Ų10357.6 Ų57.653%0.52831%0.309SS..Hα-helixtrans-61.9-31.4178.6-69.8169.6000112T42 V43 P50 I317T42-I46 HydrophobicContact CG2-CD1 3.83Å; T42-I46 HydrophobicContact CG2-CG1 4.46Å; T42-I46 VanDerWaalsContact O-CG1 3.3Å; T42-I46 WeakPolarHBondContact O-CG1 3.32Å; T42-I46 PolarHBondContact O-N 3.08Å; V43-I46 PolarHBondContact O-N 2.99Å; I46-P50 WeakPolarHBondContact O-CD 3.48Å; I46-P50 VanDerWaalsContact O-CG 3.25Å; I46-P50 WeakPolarHBondContact O-CG 3.36Å; I46-I317 HydrophobicContact CG1-CD1 4.47Å
47V98Very high97.2Very high79 Ų7955.4 Ų55.448%0.47931%0.307SS..Hα-helixtrans-79.9-42.7176.8172.40000111.7V43 F44 G45 I49 P50 I51V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.31Å; F44-V47 PolarHBondContact O-N 3.31Å; G45-V47 PolarHBondContact O-N 3.34Å; V47-I49 PolarHBondContact O-N 3.37Å; V47-P50 WeakPolarHBondContact O-CD 3.47Å; V47-I51 HydrophobicContact CG1-CD1 3.75Å; V47-I51 WeakPolarHBondContact O-CD1 3.37Å; V47-I51 VanDerWaalsContact O-CG1 3.31Å; V47-I51 WeakPolarHBondContact O-CG1 3.41Å; V47-I51 PolarHBondContact O-N 2.69Å
48L98.3Very high97.3Very high42 Ų4255.5 Ų55.522%0.2231%0.306CS..Hα-helixtrans-69.1-32.4-176.5-75.6172.7000113.2F44 G45 G52 T312F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.48Å; F44-L48 VanDerWaalsContact O-CG 3.25Å; F44-L48 WeakPolarHBondContact O-CG 3.4Å; F44-L48 PolarHBondContact O-N 2.83Å; G45-L48 PolarHBondContact O-N 3.48Å; L48-G52 PolarHBondContact O-N 2.84Å; L48-T312 HydrophobicContact CD1-CG2 3.9Å
49I98.1Very high97.3Very high44 Ų4455.5 Ų55.523%0.22631%0.307CS..Hα-helixtrans-65.4-55-178.5-70.1174000112G45 V47 I51 G52 I53 L310 I317G45-I49 WeakPolarHBondContact O-CG1 3.48Å; G45-I49 PolarHBondContact O-N 2.91Å; G45-I49 VanDerWaalsContact O-N 3.08Å; V47-I49 PolarHBondContact O-N 3.37Å; I49-I51 VanDerWaalsContact C-N 3.29Å; I49-I51 PolarHBondContact O-N 3.46Å; I49-G52 WeakPolarHBondContact O-CA 3.49Å; I49-G52 PolarHBondContact O-N 3.02Å; I49-G52 VanDerWaalsContact O-N 3.07Å; I49-I53 HydrophobicContact CG2-CD1 4.02Å; I49-I53 HydrophobicContact CG2-CG1 4.47Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 3.47Å; I49-L310 HydrophobicContact CG2-CD2 4.21Å; I49-I317 HydrophobicContact CD1-CD1 3.39Å; I49-I317 HydrophobicContact CD1-CG1 4.29Å
50P98.1Very high97.3Very high69 Ų6955.8 Ų55.845%0.44831%0.309SS..Hα-helixtrans-56.9-41.3175.5-25.134.1000112.7I46 V47 I53 V54I46-P50 WeakPolarHBondContact O-CD 3.48Å; I46-P50 VanDerWaalsContact O-CG 3.25Å; I46-P50 WeakPolarHBondContact O-CG 3.36Å; V47-P50 WeakPolarHBondContact O-CD 3.47Å; P50-I53 PolarHBondContact O-N 2.9Å; P50-V54 WeakPolarHBondContact O-CG2 3.47Å; P50-V54 PolarHBondContact O-N 2.93Å
51I97.9Very high97.2Very high79 Ų7957.2 Ų57.241%0.40532%0.316SS..Hα-helixtrans-59.3-49.1174.3-67171.8000109.8V47 I49 I53 V54 L55V47-I51 HydrophobicContact CG1-CD1 3.75Å; V47-I51 WeakPolarHBondContact O-CD1 3.37Å; V47-I51 VanDerWaalsContact O-CG1 3.31Å; V47-I51 WeakPolarHBondContact O-CG1 3.41Å; V47-I51 PolarHBondContact O-N 2.69Å; I49-I51 VanDerWaalsContact C-N 3.29Å; I49-I51 PolarHBondContact O-N 3.46Å; I51-I53 VanDerWaalsContact C-N 3.32Å; I51-I53 PolarHBondContact O-N 3.01Å; I51-V54 PolarHBondContact O-N 3.38Å; I51-L55 HydrophobicContact CG2-CD1 3.69Å; I51-L55 HydrophobicContact CG2-CG 4.14Å; I51-L55 WeakPolarHBondContact O-CG 2.84Å; I51-L55 PolarHBondContact O-N 3.32Å
52G98.2Very high97.1Very high0 Ų054.4 Ų54.40%030%0.304CS..Hα-helixtrans-57.3-41.8176.900000113.3L48 I49 L55 L56L48-G52 PolarHBondContact O-N 2.84Å; I49-G52 WeakPolarHBondContact O-CA 3.49Å; I49-G52 PolarHBondContact O-N 3.02Å; I49-G52 VanDerWaalsContact O-N 3.07Å; G52-L55 PolarHBondContact O-N 2.81Å; G52-L56 VanDerWaalsContact O-CB 3.24Å; G52-L56 WeakPolarHBondContact O-CB 3.25Å; G52-L56 PolarHBondContact O-N 2.95Å
53I98Very high97Very high86 Ų8654.2 Ų54.244%0.44130%0.303SS..Hα-helixtrans-62.4-48175.1-64171.3000110.6I49 P50 I51 L55 L56 T57 L310I49-I53 HydrophobicContact CG2-CD1 4.02Å; I49-I53 HydrophobicContact CG2-CG1 4.47Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 3.47Å; P50-I53 PolarHBondContact O-N 2.9Å; I51-I53 VanDerWaalsContact C-N 3.32Å; I51-I53 PolarHBondContact O-N 3.01Å; I53-L55 PolarHBondContact O-N 3.36Å; I53-L56 PolarHBondContact O-N 3.3Å; I53-T57 HydrophobicContact CG2-CG2 4.26Å; I53-T57 WeakPolarHBondContact O-CB 3.45Å; I53-T57 VanDerWaalsContact O-CG2 3.32Å; I53-T57 WeakPolarHBondContact O-CG2 3.31Å; I53-T57 PolarHBondContact O-N 3.27Å; I53-T57 PolarHBondContact O-OG1 3.02Å; I53-L310 HydrophobicContact CG1-CD2 3.86Å
54V97.6Very high96.9Very high76 Ų7652.7 Ų52.746%0.46129%0.29SS..Hα-helixtrans-61.8-44.1179.2171.40000111.2P50 I51 T57 T58P50-V54 WeakPolarHBondContact O-CG2 3.47Å; P50-V54 PolarHBondContact O-N 2.93Å; I51-V54 PolarHBondContact O-N 3.38Å; V54-T57 WeakPolarHBondContact CA-OG1 3.36Å; V54-T57 PolarHBondContact O-OG1 3.48Å; V54-T58 VanDerWaalsContact O-CB 3.25Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 PolarHBondContact O-N 2.86Å; V54-T58 PolarHBondContact O-OG1 3.23Å
55L97.6Very high96.9Very high19 Ų1948.7 Ų48.710%0.09927%0.272CS..Hα-helixtrans-65.9-41.9178.3-62.8173.1000111.4I51 G52 I53 S59 W297 L298 L305I51-L55 HydrophobicContact CG2-CD1 3.69Å; I51-L55 HydrophobicContact CG2-CG 4.14Å; I51-L55 WeakPolarHBondContact O-CG 2.84Å; I51-L55 PolarHBondContact O-N 3.32Å; G52-L55 PolarHBondContact O-N 2.81Å; I53-L55 PolarHBondContact O-N 3.36Å; L55-S59 VanDerWaalsContact O-CB 3.29Å; L55-S59 WeakPolarHBondContact O-CB 3.12Å; L55-S59 PolarHBondContact O-N 2.96Å; L55-W297 HydrophobicContact CD2-CH2 4Å; L55-W297 HydrophobicContact CD2-CZ2 4.21Å; L55-L298 HydrophobicContact CB-CD2 4.35Å; L55-L298 HydrophobicContact CD2-CD1 3.56Å; L55-L298 HydrophobicContact CD2-CD2 3.79Å; L55-L298 HydrophobicContact CD2-CG 4.21Å; L55-L305 HydrophobicContact CD1-CD2 3.98Å; L55-L305 HydrophobicContact CD1-CG 3.97Å
56L97.2Very high96.8Very high43 Ų4352.4 Ų52.423%0.22529%0.291CS..Hα-helixtrans-67.2-44.4179.4-176.960.6000112G52 I53 S59 N60 P303 I307 L310G52-L56 VanDerWaalsContact O-CB 3.24Å; G52-L56 WeakPolarHBondContact O-CB 3.25Å; G52-L56 PolarHBondContact O-N 2.95Å; I53-L56 PolarHBondContact O-N 3.3Å; L56-S59 PolarHBondContact O-N 3.44Å; L56-N60 WeakPolarHBondContact O-CB 3.37Å; L56-N60 PolarHBondContact O-N 3.06Å; L56-P303 HydrophobicContact CD1-CB 3.64Å; L56-I307 HydrophobicContact CD1-CG1 4.33Å; L56-L310 HydrophobicContact CD2-CD1 3.82Å
57T96.8Very high96.7Very high79 Ų7948.5 Ų48.549%0.48527%0.272SS..Hα-helixtrans-65-42.6176.949.10000111.7I53 V54 S59 N60 S61I53-T57 HydrophobicContact CG2-CG2 4.26Å; I53-T57 WeakPolarHBondContact O-CB 3.45Å; I53-T57 VanDerWaalsContact O-CG2 3.32Å; I53-T57 WeakPolarHBondContact O-CG2 3.31Å; I53-T57 PolarHBondContact O-N 3.27Å; I53-T57 PolarHBondContact O-OG1 3.02Å; V54-T57 WeakPolarHBondContact CA-OG1 3.36Å; V54-T57 PolarHBondContact O-OG1 3.48Å; T57-S59 VanDerWaalsContact C-N 3.29Å; T57-S59 PolarHBondContact O-N 2.92Å; T57-N60 PolarHBondContact O-N 3.44Å; T57-S61 PolarHBondContact O-N 3.26Å
58T96.5Very high96.7Very high20 Ų2046.8 Ų46.812%0.12326%0.26CS..Hα-helixtrans-60.6-39.1173.4-59.50000111.8V54 S61 L298V54-T58 VanDerWaalsContact O-CB 3.25Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 PolarHBondContact O-N 2.86Å; V54-T58 PolarHBondContact O-OG1 3.23Å; T58-S61 PolarHBondContact O-OG 2.9Å; T58-L298 HydrophobicContact CG2-CB 4.4Å; T58-L298 HydrophobicContact CG2-CD1 4.21Å
59S96.1Very high96.7Very high1 Ų144.8 Ų44.81%0.00725%0.25CC..Hα-helixtrans-69.9-37.7177.9-165.70000112.4L55 L56 T57 V62 N302L55-S59 VanDerWaalsContact O-CB 3.29Å; L55-S59 WeakPolarHBondContact O-CB 3.12Å; L55-S59 PolarHBondContact O-N 2.96Å; L56-S59 PolarHBondContact O-N 3.44Å; T57-S59 VanDerWaalsContact C-N 3.29Å; T57-S59 PolarHBondContact O-N 2.92Å; S59-V62 WeakPolarHBondContact O-CB 3.32Å; S59-V62 PolarHBondContact O-N 2.96Å; S59-N302 WeakPolarHBondContact OG-CA 3.43Å; S59-N302 PolarHBondContact OG-N 2.97Å; S59-N302 PolarHBondContact OG-O 3.35Å
60N94.4Very high96.6Very high92 Ų9242.9 Ų42.949%0.49224%0.24SC..Hα-helixtrans-75.5-20.5179.3-75-16.6000113.7L56 T57 V62L56-N60 WeakPolarHBondContact O-CB 3.37Å; L56-N60 PolarHBondContact O-N 3.06Å; T57-N60 PolarHBondContact O-N 3.44Å; N60-V62 PolarHBondContact O-N 3.48Å
61S93.6Very high96.5Very high72 Ų7243.6 Ų43.650%0.50324%0.241SC..THydrogen-bonded Turntrans-74.6-10.6172.770.60000113.3T57 T58 V63T57-S61 PolarHBondContact O-N 3.26Å; T58-S61 PolarHBondContact O-OG 2.9Å; S61-V63 PolarHBondContact O-N 3.48Å
62V95.6Very high96.3Very high1 Ų139.9 Ų39.91%0.00622%0.222CC..  trans-78.4119.6172.4-179.60000109.8S59 N60 N294 K301S59-V62 WeakPolarHBondContact O-CB 3.32Å; S59-V62 PolarHBondContact O-N 2.96Å; N60-V62 PolarHBondContact O-N 3.48Å; V62-N294 WeakPolarHBondContact CA-OD1 3.4Å; V62-N294 VanDerWaalsContact CG1-O 3.3Å; V62-N294 WeakPolarHBondContact CG1-O 3.46Å; V62-N294 WeakPolarHBondContact CG1-OD1 3.27Å; V62-K301 HydrophobicContact CB-CB 4.03Å; V62-K301 HydrophobicContact CG1-CB 3.9Å
63V95.7Very high96.3Very high30 Ų3042.8 Ų42.818%0.18224%0.239CC..  trans-94.3123.2174.2-175.40000108.1S61 Y65 I103 A293 N294S61-V63 PolarHBondContact O-N 3.48Å; V63-Y65 HydrophobicContact CG1-CD2 4.02Å; V63-Y65 HydrophobicContact CG1-CE2 3.5Å; V63-I103 HydrophobicContact CB-CG1 4.47Å; V63-I103 HydrophobicContact CB-CG2 4.32Å; V63-I103 HydrophobicContact CG1-CG1 3.96Å; V63-A293 WeakPolarHBondContact O-CA 3.22Å; V63-N294 PolarHBondContact N-OD1 3.29Å; V63-N294 PolarHBondContact O-N 3.13Å; V63-N294 PolarHBondContact O-OD1 3.01Å; V63-N294 VanDerWaalsContact O-OD1 3.09Å
64E95.4Very high96.2Very high48 Ų4842.5 Ų42.522%0.22423%0.233CC..EExtended strand (participates in β ladder)trans-132.8129.9-179174.8171.9132.200109.5R250 I291 L292 A293E64-R250 IonicContact OE1-CZ 3.61Å; E64-R250 IonicContact OE1-NH1 3.54Å; E64-R250 IonicContact OE1-NH2 2.73Å; E64-R250 PolarHBondContact OE1-NH2 3.13Å; E64-R250 IonicContact OE2-CZ 3.4Å; E64-R250 IonicContact OE2-NH1 2.66Å; E64-R250 PolarHBondContact OE2-NH1 2.98Å; E64-R250 IonicContact OE2-NH2 3.73Å; E64-R250 PolarHBondContact OE2-NH2 2.9Å; E64-I291 HydrophobicContact CG-CG2 3.79Å; E64-L292 WeakPolarHBondContact CA-O 3.4Å; E64-A293 HydrophobicContact CB-CB 4Å; E64-A293 HydrophobicContact CG-CB 4.07Å
65Y95.8Very high95.8Very high39 Ų3944.1 Ų44.115%0.15324%0.239CC..EExtended strand (participates in β ladder)trans-116.5130.5173.8-77.3-85.9000109.7V63 I97 V99 E100 S101 I103 I291 L292V63-Y65 HydrophobicContact CG1-CD2 4.02Å; V63-Y65 HydrophobicContact CG1-CE2 3.5Å; Y65-I97 HydrophobicContact CD1-CD1 3.79Å; Y65-I97 HydrophobicContact CD1-CG1 4.44Å; Y65-I97 HydrophobicContact CG-CD1 4.01Å; Y65-V99 HydrophobicContact CD1-CG2 4.5Å; Y65-V99 HydrophobicContact CD2-CG1 4.32Å; Y65-V99 HydrophobicContact CD2-CG2 4.27Å; Y65-V99 HydrophobicContact CE2-CB 4.3Å; Y65-V99 HydrophobicContact CE2-CG1 3.64Å; Y65-V99 HydrophobicContact CE2-CG2 4.27Å; Y65-V99 HydrophobicContact CG-CG2 4.38Å; Y65-E100 PolarHBondContact OH-N 3.49Å; Y65-S101 PolarHBondContact OH-N 3.34Å; Y65-I103 HydrophobicContact CD2-CD1 3.63Å; Y65-I103 HydrophobicContact CD2-CG1 3.95Å; Y65-I103 HydrophobicContact CE2-CD1 4.2Å; Y65-I103 HydrophobicContact CE2-CG1 4.01Å; Y65-I291 VanDerWaalsContact O-CA 3.31Å; Y65-I291 WeakPolarHBondContact O-CA 3.41Å; Y65-L292 PolarHBondContact N-O 3.07Å; Y65-L292 PolarHBondContact O-N 2.72Å
66L95.4Very high95.5Very high78 Ų7846.9 Ų46.941%0.40827%0.272SS..EExtended strand (participates in β ladder)trans-126.8126.2-174.8-173.2151.1000110.1K289 F290 I291L66-K289 HydrophobicContact CD1-CD 3.96Å; L66-K289 HydrophobicContact CD2-CB 4.28Å; L66-K289 HydrophobicContact CD2-CD 3.91Å; L66-K289 HydrophobicContact CD2-CG 4.11Å; L66-K289 HydrophobicContact CG-CB 4.27Å; L66-K289 HydrophobicContact CG-CD 4.28Å; L66-F290 WeakPolarHBondContact CA-O 3.42Å; L66-I291 HydrophobicContact CD1-CD1 4.24Å; L66-I291 HydrophobicContact CD1-CG1 4.08Å; L66-I291 HydrophobicContact CG-CG1 4.07Å
67V96.8Very high95.2Very high21 Ų2147.2 Ų47.213%0.12728%0.276CS..EExtended strand (participates in β ladder)trans-118.6113.3176.1-177.60000108.6Y69 K95 I97 I273 K289 F290V67-Y69 PolarHBondContact O-N 3.06Å; V67-K95 HydrophobicContact CG1-CB 4.17Å; V67-K95 HydrophobicContact CG1-CG 4.18Å; V67-I97 HydrophobicContact CG2-CB 4.18Å; V67-I97 HydrophobicContact CG2-CD1 3.61Å; V67-I97 HydrophobicContact CG2-CG1 4.19Å; V67-I273 HydrophobicContact CB-CD1 4.49Å; V67-I273 HydrophobicContact CG2-CD1 4.01Å; V67-K289 CarbonylContact O-C 3.5Å; V67-K289 WeakPolarHBondContact O-CA 3.36Å; V67-F290 HydrophobicContact CB-CB 4.41Å; V67-F290 PolarHBondContact N-O 3.13Å; V67-F290 PolarHBondContact O-N 3.18Å
68D97.5Very high95Very high43 Ų4352.4 Ų52.423%0.2330%0.295CS..EExtended strand (participates in β ladder)trans-75.2120.1167.7-163-44.7000108.7T70 R287D68-T70 VanDerWaalsContact OD1-CB 3.26Å; D68-T70 WeakPolarHBondContact OD1-CB 3.47Å; D68-T70 PolarHBondContact OD1-N 3.35Å; D68-T70 PolarHBondContact OD1-OG1 3.45Å; D68-R287 IonicContact OD1-NE 3.33Å; D68-R287 IonicContact OD1-NH2 3.57Å; D68-R287 IonicContact OD2-CZ 3.23Å; D68-R287 IonicContact OD2-NE 2.78Å; D68-R287 PolarHBondContact OD2-NE 2.81Å; D68-R287 VanDerWaalsContact OD2-NE 3.08Å; D68-R287 IonicContact OD2-NH1 3.22Å; D68-R287 IonicContact OD2-NH2 3.16Å
69Y97.5Very high94.9Very high0 Ų056 Ų560%031%0.31CS..  trans-119.119.8-178.972.4-87.9000111.7V67 D71 C72 F167 D169 F171 I275 Y277 K288 K289 F290V67-Y69 PolarHBondContact O-N 3.06Å; Y69-D71 VanDerWaalsContact C-N 3.35Å; Y69-D71 PolarHBondContact O-N 3.2Å; Y69-C72 VanDerWaalsContact O-CB 3.32Å; Y69-C72 WeakPolarHBondContact O-CB 3.28Å; Y69-C72 PolarHBondContact O-N 3.21Å; Y69-F167 VanDerWaalsContact OH-CZ 3.3Å; Y69-F167 WeakPolarHBondContact OH-CZ 3.36Å; Y69-D169 VanDerWaalsContact CE2-OD2 3.24Å; Y69-D169 WeakPolarHBondContact CE2-OD2 3.33Å; Y69-D169 PolarHBondContact OH-OD2 3.13Å; Y69-F171 AromaticContact CE1-CE1 3.83Å; Y69-F171 HydrophobicContact CE1-CE1 3.83Å; Y69-F171 HydrophobicContact CE1-CZ 4.04Å; Y69-F171 HydrophobicContact CE2-CE1 4.27Å; Y69-F171 AromaticContact CZ-CE1 3.68Å; Y69-F171 AromaticContact CZ-CZ 3.83Å; Y69-F171 WeakPolarHBondContact OH-CZ 3.46Å; Y69-I275 HydrophobicContact CD1-CD1 4.19Å; Y69-I275 HydrophobicContact CD2-CD1 3.77Å; Y69-I275 HydrophobicContact CD2-CG2 3.81Å; Y69-I275 HydrophobicContact CE2-CG2 3.72Å; Y69-I275 HydrophobicContact CG-CD1 3.58Å; Y69-Y277 HydrophobicContact CD2-CD2 4.01Å; Y69-Y277 HydrophobicContact CD2-CE2 4.09Å; Y69-Y277 HydrophobicContact CE2-CD2 4.17Å; Y69-Y277 HydrophobicContact CE2-CE2 4.29Å; Y69-Y277 WeakPolarHBondContact O-CE2 3.22Å; Y69-K288 HydrophobicContact CD1-CB 4.25Å; Y69-K288 HydrophobicContact CD2-CB 4.35Å; Y69-K288 HydrophobicContact CE1-CB 3.7Å; Y69-K288 HydrophobicContact CE2-CB 3.82Å; Y69-K288 HydrophobicContact CE2-CD 4.04Å; Y69-K288 VanDerWaalsContact CE2-CE 3.48Å; Y69-K288 VanDerWaalsContact CZ-CB 3.44Å; Y69-K288 PolarHBondContact N-O 2.9Å; Y69-K289 VanDerWaalsContact CE1-C 3.47Å; Y69-F290 HydrophobicContact CD1-CB 3.95Å; Y69-F290 HydrophobicContact CE1-CB 4.11Å
70T97.2Very high94.9Very high4 Ų458.5 Ų58.53%0.02532%0.323CS..THydrogen-bonded Turntrans-59.1-47.7178.3-480000111.6D68 C72 Y277 V281 R287 K288D68-T70 VanDerWaalsContact OD1-CB 3.26Å; D68-T70 WeakPolarHBondContact OD1-CB 3.47Å; D68-T70 PolarHBondContact OD1-N 3.35Å; D68-T70 PolarHBondContact OD1-OG1 3.45Å; T70-C72 VanDerWaalsContact C-N 3.28Å; T70-C72 PolarHBondContact O-N 2.98Å; T70-Y277 PolarHBondContact O-OH 2.62Å; T70-Y277 VanDerWaalsContact O-OH 3.04Å; T70-V281 HydrophobicContact CG2-CG2 3.79Å; T70-R287 HydrophobicContact CG2-CB 4.49Å; T70-R287 VanDerWaalsContact OG1-CA 3.25Å; T70-R287 WeakPolarHBondContact OG1-CA 3.34Å; T70-R287 VanDerWaalsContact OG1-CB 3.3Å; T70-R287 WeakPolarHBondContact OG1-CB 3.35Å; T70-K288 PolarHBondContact OG1-N 2.93Å; T70-K288 PolarHBondContact OG1-O 2.91Å
71D95.6Very high95.1Very high85 Ų8554.1 Ų54.146%0.45530%0.3SS..THydrogen-bonded Turntrans-98.941.8-174.7-50-58.4000110.4Y69 L80 R287Y69-D71 VanDerWaalsContact C-N 3.35Å; Y69-D71 PolarHBondContact O-N 3.2Å; D71-L80 HydrophobicContact CB-CD2 4.27Å; D71-R287 IonicContact OD2-NH2 2.87Å; D71-R287 PolarHBondContact OD2-NH2 2.85Å
72C94.8Very high95.2Very high1 Ų151.4 Ų51.41%0.00728%0.281CS..PPolyproline II helixtrans-76.9135.3180-147.20000110.5Y69 T70 C81 C93 K95 Y277Y69-C72 VanDerWaalsContact O-CB 3.32Å; Y69-C72 WeakPolarHBondContact O-CB 3.28Å; Y69-C72 PolarHBondContact O-N 3.21Å; T70-C72 VanDerWaalsContact C-N 3.28Å; T70-C72 PolarHBondContact O-N 2.98Å; C72-C81 WeakPolarHBondContact O-CB 3.15Å; C72-C81 PolarHBondContact O-N 2.88Å; C72-C93 HydrophobicContact CB-CB 3.68Å; C72-C93 WeakPolarHBondContact CB-SG 3.24Å; C72-C93 WeakPolarHBondContact SG-CB 3.48Å; C72-C93 CovalentContact SG-SG 2.02Å; C72-C93 PolarHBondContact SG-SG 2.91Å; C72-K95 WeakPolarHBondContact SG-CE 3.32Å; C72-Y277 HydrophobicContact CB-CD2 4.45Å
73T96.4Very high95.1Very high61 Ų6157.4 Ų57.437%0.37431%0.309SS..BIsolated β-bridgetrans-91148.5175.555.50000111.1N75 E79 L80 C93T73-N75 PolarHBondContact O-N 3.43Å; T73-E79 CarbonylContact C-O 3.55Å; T73-E79 WeakPolarHBondContact CA-O 3.42Å; T73-L80 HydrophobicContact CG2-CD2 4.26Å; T73-C93 WeakPolarHBondContact O-CB 3.29Å
74R95.8Very high95.2Very high79 Ų7956.2 Ų56.230%0.29830%0.302SS..PPolyproline II helixtrans-60.3132.3175.4175.7-179.468.1178.4-9.7109.6G76 T77 E79 C91R74-G76 PolarHBondContact O-N 3.38Å; R74-T77 VanDerWaalsContact CB-OG1 3.31Å; R74-T77 WeakPolarHBondContact CB-OG1 3.23Å; R74-T77 PolarHBondContact NE-OG1 3.5Å; R74-T77 CarbonylContact O-C 3.55Å; R74-T77 PolarHBondContact O-N 2.94Å; R74-T77 PolarHBondContact O-OG1 2.9Å; R74-E79 IonicContact CZ-OE2 3.18Å; R74-E79 PolarHBondContact N-O 3.4Å; R74-E79 IonicContact NE-OE2 2.68Å; R74-E79 IonicContact NH1-OE2 3.35Å; R74-E79 VanDerWaalsContact NH2-CD 3.28Å; R74-E79 IonicContact NH2-OE1 3.06Å; R74-E79 IonicContact NH2-OE2 2.72Å; R74-E79 PolarHBondContact NH2-OE2 3.2Å; R74-C91 VanDerWaalsContact CB-SG 3.55Å
75N90.7Very high95.1Very high110 Ų11055.4 Ų55.459%0.58830%0.298SS*.THydrogen-bonded Turntrans-52.2128.2-176.9-168.921.3000111.8T73 T77 V92 V94T73-N75 PolarHBondContact O-N 3.43Å; N75-T77 VanDerWaalsContact C-N 3.33Å; N75-V92 PolarHBondContact N-O 2.95Å; N75-V94 HydrophobicContact CB-CG2 4.16Å
76G90Very high95Very high78 Ų7857.6 Ų57.680%0.80433%0.325SS*.THydrogen-bonded Turntrans79.73.1-177.300000115.8R74R74-G76 PolarHBondContact O-N 3.38Å
77T92.5Very high95Very high50 Ų5057.4 Ų57.431%0.30733%0.33SS..SBendtrans-140163.3179.463.70000112R74 N75 E79R74-T77 VanDerWaalsContact CB-OG1 3.31Å; R74-T77 WeakPolarHBondContact CB-OG1 3.23Å; R74-T77 PolarHBondContact NE-OG1 3.5Å; R74-T77 CarbonylContact O-C 3.55Å; R74-T77 PolarHBondContact O-N 2.94Å; R74-T77 PolarHBondContact O-OG1 2.9Å; N75-T77 VanDerWaalsContact C-N 3.33Å; T77-E79 VanDerWaalsContact C-N 3.35Å
78E91.5Very high94.7Very high188 Ų18859.8 Ų59.888%0.87936%0.359SS*.SBendtrans-90.22.6177-62.5-173.4168.600113.4
79E94.9Very high94.5Very high94 Ų9464 Ų6444%0.43938%0.375SS..  trans-72.7131.1179.9-67177.6-178.600111.6T73 R74 T77 C81 V84T73-E79 CarbonylContact C-O 3.55Å; T73-E79 WeakPolarHBondContact CA-O 3.42Å; R74-E79 IonicContact CZ-OE2 3.18Å; R74-E79 PolarHBondContact N-O 3.4Å; R74-E79 IonicContact NE-OE2 2.68Å; R74-E79 IonicContact NH1-OE2 3.35Å; R74-E79 VanDerWaalsContact NH2-CD 3.28Å; R74-E79 IonicContact NH2-OE1 3.06Å; R74-E79 IonicContact NH2-OE2 2.72Å; R74-E79 PolarHBondContact NH2-OE2 3.2Å; T77-E79 VanDerWaalsContact C-N 3.35Å; E79-C81 PolarHBondContact O-N 3.43Å; E79-V84 HydrophobicContact CB-CG2 4.04Å
80L96.6Very high94.4Very high54 Ų5468.7 Ų68.728%0.28341%0.405SS..BIsolated β-bridgetrans-68.4130.9175.2-72.2169.4000110.9D71 T73 S82 Q83 V84D71-L80 HydrophobicContact CB-CD2 4.27Å; T73-L80 HydrophobicContact CG2-CD2 4.26Å; L80-S82 PolarHBondContact O-N 2.94Å; L80-S82 VanDerWaalsContact O-N 3.11Å; L80-Q83 HydrophobicContact CB-CG 4.28Å; L80-Q83 WeakPolarHBondContact O-CB 3.09Å; L80-Q83 PolarHBondContact O-N 3.31Å; L80-V84 PolarHBondContact O-N 2.88Å; L80-V84 VanDerWaalsContact O-N 3.13Å
81C96.9Very high94.4Very high0 Ų068.5 Ų68.50%041%0.405CS..Hα-helixtrans-58.3-30.5178-85.70000112.9C72 E79 Q83 V84 I85 C91 Y277C72-C81 WeakPolarHBondContact O-CB 3.15Å; C72-C81 PolarHBondContact O-N 2.88Å; E79-C81 PolarHBondContact O-N 3.43Å; C81-Q83 VanDerWaalsContact C-N 3.27Å; C81-Q83 PolarHBondContact O-N 2.94Å; C81-V84 PolarHBondContact O-N 2.87Å; C81-I85 WeakPolarHBondContact O-CG1 3.42Å; C81-I85 WeakPolarHBondContact O-CG2 3.36Å; C81-I85 PolarHBondContact O-N 3.43Å; C81-C91 WeakPolarHBondContact CA-SG 3.29Å; C81-C91 HydrophobicContact CB-CB 3.71Å; C81-C91 WeakPolarHBondContact CB-SG 3.35Å; C81-C91 WeakPolarHBondContact SG-CB 3.44Å; C81-C91 CovalentContact SG-SG 2.04Å; C81-C91 PolarHBondContact SG-SG 2.96Å; C81-Y277 HydrophobicContact CB-CD1 3.73Å; C81-Y277 HydrophobicContact CB-CD2 3.93Å; C81-Y277 HydrophobicContact CB-CE1 4.16Å; C81-Y277 HydrophobicContact CB-CE2 4.33Å; C81-Y277 HydrophobicContact CB-CG 3.62Å
82S95.7Very high94.4Very high16 Ų1667.2 Ų67.211%0.11240%0.399CS..Hα-helixtrans-59.5-36.317557.20000113.1L80 I85 A86L80-S82 PolarHBondContact O-N 2.94Å; L80-S82 VanDerWaalsContact O-N 3.11Å; S82-I85 WeakPolarHBondContact O-CG1 3.34Å; S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.36Å
83Q95.5Very high94.5Very high126 Ų12667.1 Ų67.159%0.58940%0.399SS*.Hα-helixtrans-78-40.4176-64.5173.8-21.500111.1L80 C81 I85 A86 S87L80-Q83 HydrophobicContact CB-CG 4.28Å; L80-Q83 WeakPolarHBondContact O-CB 3.09Å; L80-Q83 PolarHBondContact O-N 3.31Å; C81-Q83 VanDerWaalsContact C-N 3.27Å; C81-Q83 PolarHBondContact O-N 2.94Å; Q83-I85 PolarHBondContact O-N 3.25Å; Q83-A86 WeakPolarHBondContact O-CB 3.33Å; Q83-A86 PolarHBondContact O-N 2.68Å; Q83-S87 PolarHBondContact O-N 3.37Å
84V95.9Very high94.5Very high6 Ų665.8 Ų65.84%0.03639%0.391CS..Hα-helixtrans-60.2-47.71781790000111E79 L80 C81 A86 S87 K89 C91E79-V84 HydrophobicContact CB-CG2 4.04Å; L80-V84 PolarHBondContact O-N 2.88Å; L80-V84 VanDerWaalsContact O-N 3.13Å; C81-V84 PolarHBondContact O-N 2.87Å; V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 2.82Å; V84-S87 WeakPolarHBondContact O-CB 3.34Å; V84-S87 PolarHBondContact O-N 2.88Å; V84-S87 VanDerWaalsContact O-N 3.14Å; V84-S87 PolarHBondContact O-OG 3.5Å; V84-K89 HydrophobicContact CG1-CB 3.9Å; V84-K89 PolarHBondContact O-N 2.76Å; V84-C91 HydrophobicContact CB-CB 4.1Å; V84-C91 HydrophobicContact CG1-CB 3.93Å
85I95.2Very high94.6Very high30 Ų3065.1 Ų65.115%0.15439%0.39CS..Hα-helixtrans-68.3-30.6178.567.3169.1000112.8C81 S82 Q83 S87 G88 C91 Y277 P280C81-I85 WeakPolarHBondContact O-CG1 3.42Å; C81-I85 WeakPolarHBondContact O-CG2 3.36Å; C81-I85 PolarHBondContact O-N 3.43Å; S82-I85 WeakPolarHBondContact O-CG1 3.34Å; Q83-I85 PolarHBondContact O-N 3.25Å; I85-S87 PolarHBondContact O-N 2.9Å; I85-G88 PolarHBondContact O-N 2.93Å; I85-C91 HydrophobicContact CG2-CB 3.97Å; I85-Y277 HydrophobicContact CD1-CD1 3.92Å; I85-Y277 HydrophobicContact CD1-CE1 3.7Å; I85-Y277 HydrophobicContact CG1-CE1 4.45Å; I85-Y277 HydrophobicContact CG2-CD1 4.1Å; I85-Y277 WeakPolarHBondContact CG2-O 3.18Å; I85-P280 HydrophobicContact CD1-CB 3.94Å
86A93.7Very high94.7Very high86 Ų8665.4 Ų65.471%0.71139%0.388SS*.Hα-helixtrans-64.9-26.4175.300000111.7S82 Q83 V84 G88S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.36Å; Q83-A86 WeakPolarHBondContact O-CB 3.33Å; Q83-A86 PolarHBondContact O-N 2.68Å; V84-A86 VanDerWaalsContact C-N 3.31Å; V84-A86 PolarHBondContact O-N 2.82Å; A86-G88 PolarHBondContact O-N 3.28Å
87S93.6Very high94.9Very high74 Ų7462.6 Ų62.652%0.51735%0.354SS..THydrogen-bonded Turntrans-80.62.5171.578.10000114.4Q83 V84 I85 K89Q83-S87 PolarHBondContact O-N 3.37Å; V84-S87 WeakPolarHBondContact O-CB 3.34Å; V84-S87 PolarHBondContact O-N 2.88Å; V84-S87 VanDerWaalsContact O-N 3.14Å; V84-S87 PolarHBondContact O-OG 3.5Å; I85-S87 PolarHBondContact O-N 2.9Å; S87-K89 VanDerWaalsContact C-N 3.33Å
88G91.9Very high95Very high71 Ų7164.6 Ų64.673%0.73237%0.366SS*.THydrogen-bonded Turntrans79.210.7-179.300000114.8I85 A86I85-G88 PolarHBondContact O-N 2.93Å; A86-G88 PolarHBondContact O-N 3.28Å
89K93.7Very high95.1Very high131 Ų13155.7 Ų55.757%0.5732%0.324SS*.  trans-96.7144.6179.2-65.6179.3-176175.50111.2V84 S87V84-K89 HydrophobicContact CG1-CB 3.9Å; V84-K89 PolarHBondContact O-N 2.76Å; S87-K89 VanDerWaalsContact C-N 3.33Å
90P94Very high95Very high98 Ų9859.4 Ų59.464%0.63634%0.342SS*.  trans-65.9141.5172.928.8-34.1000110.3F278P90-F278 HydrophobicContact CB-CE1 4.11Å
91C97.1Very high94.8Very high1 Ų159.8 Ų59.81%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-124.2130.2175.4-160.90000111R74 C81 V84 I85 Y277R74-C91 VanDerWaalsContact CB-SG 3.55Å; C81-C91 WeakPolarHBondContact CA-SG 3.29Å; C81-C91 HydrophobicContact CB-CB 3.71Å; C81-C91 WeakPolarHBondContact CB-SG 3.35Å; C81-C91 WeakPolarHBondContact SG-CB 3.44Å; C81-C91 CovalentContact SG-SG 2.04Å; C81-C91 PolarHBondContact SG-SG 2.96Å; V84-C91 HydrophobicContact CB-CB 4.1Å; V84-C91 HydrophobicContact CG1-CB 3.93Å; I85-C91 HydrophobicContact CG2-CB 3.97Å; C91-Y277 PolarHBondContact O-N 2.72Å
92V97.2Very high94.7Very high57 Ų5762.8 Ų62.835%0.34537%0.37SS..EExtended strand (participates in β ladder)trans-117.1130.1171.4-174.60000107.6N75 V274 I275 N276N75-V92 PolarHBondContact N-O 2.95Å; V92-V274 HydrophobicContact CG1-CG1 3.55Å; V92-I275 WeakPolarHBondContact CA-O 3.43Å; V92-N276 VanDerWaalsContact CG2-OD1 3.3Å; V92-N276 WeakPolarHBondContact CG2-OD1 3.33Å
93C96.2Very high94.7Very high0 Ų062.1 Ų62.10%037%0.365CS..EExtended strand (participates in β ladder)trans-125.4154.4174.883.50000111.4C72 T73 I275C72-C93 HydrophobicContact CB-CB 3.68Å; C72-C93 WeakPolarHBondContact CB-SG 3.24Å; C72-C93 WeakPolarHBondContact SG-CB 3.48Å; C72-C93 CovalentContact SG-SG 2.02Å; C72-C93 PolarHBondContact SG-SG 2.91Å; T73-C93 WeakPolarHBondContact O-CB 3.29Å; C93-I275 PolarHBondContact N-O 3.49Å; C93-I275 PolarHBondContact O-N 3.39Å
94V96.7Very high94.7Very high32 Ų3258.9 Ų58.919%0.19436%0.355CS..EExtended strand (participates in β ladder)trans-121.2128.9-178-176.90000108.8N75 E272 I273 V274N75-V94 HydrophobicContact CB-CG2 4.16Å; V94-E272 HydrophobicContact CG1-CG 3.5Å; V94-I273 WeakPolarHBondContact CA-O 3.49Å; V94-V274 HydrophobicContact CG2-CG2 4.3Å
95K96.4Very high94.5Very high65 Ų6560.2 Ų60.228%0.28337%0.371SS..EExtended strand (participates in β ladder)trans-118.7143.3172.1-71.1-66.2-172.6-178.40109.3V67 C72 I273 I275V67-K95 HydrophobicContact CG1-CB 4.17Å; V67-K95 HydrophobicContact CG1-CG 4.18Å; C72-K95 WeakPolarHBondContact SG-CE 3.32Å; K95-I273 HydrophobicContact CB-CB 4.47Å; K95-I273 PolarHBondContact N-O 3.3Å; K95-I273 PolarHBondContact O-N 2.72Å; K95-I275 HydrophobicContact CG-CD1 4.26Å
96H94.4Very high94.5Very high117 Ų11761.5 Ų61.554%0.54238%0.381SS..EExtended strand (participates in β ladder)trans-108138.2172.6-66.286.8000108.9Y271 E272H96-Y271 WeakPolarHBondContact CA-O 3.38Å; H96-E272 IonicContact NE2-OE2 3.52Å
97I93.9Very high94.7Very high18 Ų1857.4 Ų57.49%0.09235%0.347CS..EExtended strand (participates in β ladder)trans-130133.2173.8-170.8178.8000109.4Y65 V67 T270 Y271 I273Y65-I97 HydrophobicContact CD1-CD1 3.79Å; Y65-I97 HydrophobicContact CD1-CG1 4.44Å; Y65-I97 HydrophobicContact CG-CD1 4.01Å; V67-I97 HydrophobicContact CG2-CB 4.18Å; V67-I97 HydrophobicContact CG2-CD1 3.61Å; V67-I97 HydrophobicContact CG2-CG1 4.19Å; I97-T270 WeakPolarHBondContact O-CA 3.22Å; I97-Y271 PolarHBondContact N-O 3.28Å; I97-Y271 PolarHBondContact O-N 3.36Å; I97-I273 HydrophobicContact CB-CD1 4.45Å; I97-I273 HydrophobicContact CG2-CD1 3.94Å; I97-I273 HydrophobicContact CG2-CG1 4.37Å
98T94.6Very high94.9Very high92 Ų9256.5 Ų56.556%0.56433%0.332SS*.EExtended strand (participates in β ladder)trans-99.5116.2171.8-55.10000108.4
99V93.2Very high95.2Very high1 Ų153.2 Ų53.21%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-90.7100.4176.5173.30000107.4Y65 S101 I103 S268 G269 Y271Y65-V99 HydrophobicContact CD1-CG2 4.5Å; Y65-V99 HydrophobicContact CD2-CG1 4.32Å; Y65-V99 HydrophobicContact CD2-CG2 4.27Å; Y65-V99 HydrophobicContact CE2-CB 4.3Å; Y65-V99 HydrophobicContact CE2-CG1 3.64Å; Y65-V99 HydrophobicContact CE2-CG2 4.27Å; Y65-V99 HydrophobicContact CG-CG2 4.38Å; V99-S101 WeakPolarHBondContact CG1-O 3.45Å; V99-I103 HydrophobicContact CG1-CG1 4.27Å; V99-S268 CarbonylContact O-C 3.52Å; V99-S268 VanDerWaalsContact O-CA 3.22Å; V99-S268 WeakPolarHBondContact O-CA 3.5Å; V99-S268 WeakPolarHBondContact O-CB 3.08Å; V99-G269 PolarHBondContact N-O 3.13Å; V99-G269 PolarHBondContact O-N 2.99Å; V99-Y271 HydrophobicContact CB-CD2 4.19Å; V99-Y271 HydrophobicContact CB-CE2 3.99Å; V99-Y271 HydrophobicContact CG2-CD2 3.65Å; V99-Y271 HydrophobicContact CG2-CE2 3.78Å
100E92.3Very high95.4Very high172 Ų17249.1 Ų49.180%0.80428%0.28SS*.SBendtrans-66.2-38.9-179.1-63.6179.3175.800112.9Y65Y65-E100 PolarHBondContact OH-N 3.49Å
101S92.3Very high95.6Very high62 Ų6244.9 Ų44.943%0.43425%0.251SS..SBendtrans-122.8133.7178.460.40000110.5Y65 V99 I103Y65-S101 PolarHBondContact OH-N 3.34Å; V99-S101 WeakPolarHBondContact CG1-O 3.45Å; S101-I103 PolarHBondContact O-N 2.82Å
102S94.9Very high95.6Very high64 Ų6445 Ų4545%0.44825%0.253SS..  trans-54.2135.5178.8-54.80000110.9P104 L266 S268S102-P104 WeakPolarHBondContact O-CD 3.25Å; S102-L266 CarbonylContact C-O 3.45Å; S102-L266 VanDerWaalsContact CA-O 3.23Å; S102-L266 WeakPolarHBondContact CA-O 3.36Å; S102-L266 WeakPolarHBondContact CB-O 3.45Å; S102-S268 PolarHBondContact OG-N 3.4Å
103I96.5Very high95.7Very high1 Ų142.5 Ų42.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-86.8111.1174.7-48.9178.4000107.2V63 Y65 V99 S101 V107 G265 L266 L292 N294V63-I103 HydrophobicContact CB-CG1 4.47Å; V63-I103 HydrophobicContact CB-CG2 4.32Å; V63-I103 HydrophobicContact CG1-CG1 3.96Å; Y65-I103 HydrophobicContact CD2-CD1 3.63Å; Y65-I103 HydrophobicContact CD2-CG1 3.95Å; Y65-I103 HydrophobicContact CE2-CD1 4.2Å; Y65-I103 HydrophobicContact CE2-CG1 4.01Å; V99-I103 HydrophobicContact CG1-CG1 4.27Å; S101-I103 PolarHBondContact O-N 2.82Å; I103-V107 HydrophobicContact CB-CG2 4.15Å; I103-V107 HydrophobicContact CG2-CG1 4.33Å; I103-V107 HydrophobicContact CG2-CG2 3.84Å; I103-G265 CarbonylContact O-C 3.52Å; I103-G265 VanDerWaalsContact O-CA 3.29Å; I103-G265 WeakPolarHBondContact O-CA 3.15Å; I103-L266 HydrophobicContact CB-CB 4.25Å; I103-L266 HydrophobicContact CD1-CD1 4.34Å; I103-L266 HydrophobicContact CG1-CB 4.48Å; I103-L266 PolarHBondContact N-O 3.36Å; I103-L266 PolarHBondContact O-N 3.17Å; I103-L292 HydrophobicContact CD1-CB 3.98Å; I103-N294 HydrophobicContact CG2-CB 3.91Å
104P95.4Very high95.8Very high58 Ų5843.5 Ų43.538%0.37724%0.244SC..EExtended strand (participates in β ladder)trans-66.9144.5-177.427.4-33.2000111.1S102 N294S102-P104 WeakPolarHBondContact O-CD 3.25Å; P104-N294 WeakPolarHBondContact CG-ND2 3.43Å; P104-N294 WeakPolarHBondContact O-CB 3.38Å
105G92.1Very high95.8Very high35 Ų3544.7 Ų44.736%0.36125%0.249SC..SBendtrans-65.9154.2177.900000113.1N264G105-N264 PolarHBondContact N-O 3.31Å
106P95.1Very high95.9Very high57 Ų5742.7 Ų42.737%0.3724%0.241SC..SBendcis-75.7144.2-5.730.7-34.1000112.5Y108 N294P106-Y108 HydrophobicContact CB-CE2 4.18Å; P106-Y108 HydrophobicContact CG-CE2 3.9Å; P106-Y108 WeakPolarHBondContact CG-OH 3.21Å; P106-N294 WeakPolarHBondContact O-CA 3.48Å
107V96.8Very high96Very high0 Ų043.3 Ų43.30%024%0.239CC..EExtended strand (participates in β ladder)trans-107.7134-179.6-177.70000111I103 V256 L266 L292I103-V107 HydrophobicContact CB-CG2 4.15Å; I103-V107 HydrophobicContact CG2-CG1 4.33Å; I103-V107 HydrophobicContact CG2-CG2 3.84Å; V107-V256 HydrophobicContact CB-CB 4.02Å; V107-V256 HydrophobicContact CB-CG2 3.91Å; V107-V256 HydrophobicContact CG1-CG2 3.84Å; V107-V256 PolarHBondContact O-N 3.33Å; V107-L266 HydrophobicContact CB-CG 4.39Å; V107-L266 HydrophobicContact CG1-CD1 3.82Å; V107-L266 HydrophobicContact CG1-CG 4.03Å; V107-L266 HydrophobicContact CG2-CG 4.18Å; V107-L292 HydrophobicContact CG1-CD2 4.49Å
108Y97.6Very high96.2Very high54 Ų5442.5 Ų42.521%0.21224%0.235CC..EExtended strand (participates in β ladder)trans-117.1138.8-177.1-58.2-84.1000110.7P106 Y110 L252 I255 A293 A295P106-Y108 HydrophobicContact CB-CE2 4.18Å; P106-Y108 HydrophobicContact CG-CE2 3.9Å; P106-Y108 WeakPolarHBondContact CG-OH 3.21Å; Y108-Y110 HydrophobicContact CG-CE2 4.29Å; Y108-L252 HydrophobicContact CD1-CD1 3.85Å; Y108-L252 HydrophobicContact CD1-CD2 4.3Å; Y108-L252 HydrophobicContact CG-CD1 4.26Å; Y108-I255 HydrophobicContact CD1-CG1 3.89Å; Y108-I255 HydrophobicContact CD1-CG2 4.49Å; Y108-I255 HydrophobicContact CE1-CD1 4.36Å; Y108-I255 HydrophobicContact CE1-CG1 4.1Å; Y108-I255 HydrophobicContact CE1-CG2 4.45Å; Y108-A293 PolarHBondContact N-O 3.14Å; Y108-A293 PolarHBondContact O-N 2.74Å; Y108-A295 HydrophobicContact CD2-CB 4.1Å; Y108-A295 HydrophobicContact CE2-CB 3.63Å
109L97.7Very high96.3Very high3 Ų341.5 Ų41.52%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-102.9116.8174-166.6163000108.4F171 T187 N253 A254 F290 I291 L292L109-F171 HydrophobicContact CD2-CD2 3.89Å; L109-F171 HydrophobicContact CD2-CE2 4.41Å; L109-T187 HydrophobicContact CD1-CG2 4.41Å; L109-N253 HydrophobicContact CD2-CB 3.59Å; L109-N253 WeakPolarHBondContact O-CB 3.27Å; L109-N253 PolarHBondContact O-N 3.14Å; L109-A254 HydrophobicContact CB-CB 4.36Å; L109-A254 WeakPolarHBondContact CB-O 3.25Å; L109-A254 PolarHBondContact N-O 2.82Å; L109-A254 PolarHBondContact O-N 2.73Å; L109-F290 HydrophobicContact CD1-CE2 3.61Å; L109-F290 HydrophobicContact CD1-CZ 3.77Å; L109-F290 HydrophobicContact CD2-CD2 4.13Å; L109-F290 HydrophobicContact CD2-CE2 3.64Å; L109-F290 HydrophobicContact CD2-CZ 4.38Å; L109-F290 HydrophobicContact CG-CD2 4.46Å; L109-F290 HydrophobicContact CG-CE2 3.6Å; L109-F290 HydrophobicContact CG-CZ 3.84Å; L109-I291 WeakPolarHBondContact CA-O 3.45Å; L109-L292 HydrophobicContact CB-CD2 4.12Å; L109-L292 HydrophobicContact CD1-CD2 4.36Å; L109-L292 HydrophobicContact CG-CD2 4.07Å
110Y98.3Very high96.6Very high45 Ų4546.6 Ų46.618%0.17625%0.25CC..EExtended strand (participates in β ladder)trans-112.9147.7174.3-53.2-95.4000110.8Y108 R250 K251 L252 I291 A293Y108-Y110 HydrophobicContact CG-CE2 4.29Å; Y110-R250 HydrophobicContact CD1-CG 4.34Å; Y110-K251 WeakPolarHBondContact CA-O 3.5Å; Y110-K251 WeakPolarHBondContact CB-O 3.46Å; Y110-L252 HydrophobicContact CD1-CB 3.98Å; Y110-L252 HydrophobicContact CD1-CD1 4.04Å; Y110-L252 HydrophobicContact CE1-CB 3.82Å; Y110-L252 HydrophobicContact CE1-CD1 3.69Å; Y110-L252 HydrophobicContact CE1-CG 4.3Å; Y110-I291 PolarHBondContact N-O 3.46Å; Y110-I291 PolarHBondContact O-N 3.49Å; Y110-A293 HydrophobicContact CE2-CB 4.45Å
111Y98.3Very high96.8Very high9 Ų945.7 Ų45.74%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-99.2141.9157.161.5-90.4000109.5L113 F167 W240 R250 K251 N253 K289Y111-L113 HydrophobicContact CD2-CG 4.46Å; Y111-F167 AromaticContact CD1-CD1 3.82Å; Y111-F167 HydrophobicContact CD1-CD1 3.82Å; Y111-F167 AromaticContact CD1-CE1 3.75Å; Y111-F167 HydrophobicContact CD1-CE1 3.75Å; Y111-F167 HydrophobicContact CD1-CZ 4.43Å; Y111-F167 AromaticContact CD2-CD1 3.87Å; Y111-F167 HydrophobicContact CD2-CD1 3.87Å; Y111-F167 AromaticContact CD2-CD2 3.96Å; Y111-F167 HydrophobicContact CD2-CD2 3.96Å; Y111-F167 AromaticContact CD2-CE1 3.96Å; Y111-F167 HydrophobicContact CD2-CE1 3.96Å; Y111-F167 HydrophobicContact CD2-CE2 4.04Å; Y111-F167 AromaticContact CD2-CG 3.85Å; Y111-F167 HydrophobicContact CD2-CG 3.85Å; Y111-F167 AromaticContact CD2-CZ 4Å; Y111-F167 HydrophobicContact CD2-CZ 4Å; Y111-F167 AromaticContact CE1-CD1 3.86Å; Y111-F167 HydrophobicContact CE1-CD1 3.86Å; Y111-F167 HydrophobicContact CE1-CE1 4.27Å; Y111-F167 HydrophobicContact CE1-CG 4.46Å; Y111-F167 HydrophobicContact CE2-CB 3.82Å; Y111-F167 AromaticContact CE2-CD1 3.83Å; Y111-F167 HydrophobicContact CE2-CD1 3.83Å; Y111-F167 HydrophobicContact CE2-CD2 4.07Å; Y111-F167 HydrophobicContact CE2-CE1 4.38Å; Y111-F167 AromaticContact CE2-CG 3.63Å; Y111-F167 HydrophobicContact CE2-CG 3.63Å; Y111-F167 AromaticContact CG-CD1 3.85Å; Y111-F167 HydrophobicContact CG-CD1 3.85Å; Y111-F167 AromaticContact CG-CE1 3.6Å; Y111-F167 HydrophobicContact CG-CE1 3.6Å; Y111-F167 HydrophobicContact CG-CE2 4.34Å; Y111-F167 HydrophobicContact CG-CG 4.3Å; Y111-F167 AromaticContact CG-CZ 3.83Å; Y111-F167 HydrophobicContact CG-CZ 3.83Å; Y111-F167 AromaticContact CZ-CD1 3.82Å; Y111-F167 AromaticContact CZ-CG 3.96Å; Y111-W240 HydrophobicContact CE2-CE3 4.3Å; Y111-W240 HydrophobicContact CE2-CZ3 4.12Å; Y111-R250 CarbonylContact O-C 3.55Å; Y111-R250 WeakPolarHBondContact O-CA 3.24Å; Y111-K251 HydrophobicContact CD1-CB 4.46Å; Y111-K251 HydrophobicContact CD2-CB 4.32Å; Y111-K251 HydrophobicContact CE1-CB 3.77Å; Y111-K251 HydrophobicContact CE2-CB 3.67Å; Y111-K251 HydrophobicContact CE2-CD 3.91Å; Y111-K251 HydrophobicContact CE2-CG 4.29Å; Y111-K251 PolarHBondContact N-O 2.91Å; Y111-K251 PolarHBondContact O-N 3.21Å; Y111-K251 WeakPolarHBondContact OH-CB 3.37Å; Y111-K251 WeakPolarHBondContact OH-CD 3.49Å; Y111-N253 HydrophobicContact CD1-CB 3.85Å; Y111-N253 HydrophobicContact CE1-CB 4.29Å; Y111-K289 CarbonylContact C-O 3.6Å; Y111-K289 WeakPolarHBondContact CA-O 3.48Å
112G98.2Very high97Very high4 Ų451.6 Ų51.64%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-112.1135.717500000110.9F249 K288 K289G112-F249 CarbonylContact C-O 3.43Å; G112-F249 VanDerWaalsContact CA-O 3.28Å; G112-F249 WeakPolarHBondContact CA-O 3.45Å; G112-K288 WeakPolarHBondContact O-CA 3.4Å; G112-K289 PolarHBondContact N-O 3.03Å; G112-K289 PolarHBondContact O-N 3.17Å
113L98.4Very high97.1Very high4 Ų450 Ų502%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-118.6138.1170.1-65.9178.9000109.1Y111 F116 F167 W240 N248 F249 Y279 V281 R287 K288Y111-L113 HydrophobicContact CD2-CG 4.46Å; L113-F116 HydrophobicContact CB-CB 4.29Å; L113-F116 HydrophobicContact CD1-CD2 4.41Å; L113-F116 HydrophobicContact CD1-CG 4.47Å; L113-F167 HydrophobicContact CD1-CD2 4.25Å; L113-F167 HydrophobicContact CD2-CD2 4.25Å; L113-F167 HydrophobicContact CD2-CE2 4.14Å; L113-W240 HydrophobicContact CD1-CH2 3.88Å; L113-W240 HydrophobicContact CD1-CZ3 3.87Å; L113-N248 WeakPolarHBondContact O-CA 3.49Å; L113-F249 HydrophobicContact CB-CE1 4.24Å; L113-F249 HydrophobicContact CB-CE2 4.1Å; L113-F249 HydrophobicContact CB-CZ 3.87Å; L113-F249 HydrophobicContact CD1-CE2 4.09Å; L113-F249 HydrophobicContact CD1-CZ 3.8Å; L113-F249 HydrophobicContact CG-CE2 4.38Å; L113-F249 HydrophobicContact CG-CZ 4.33Å; L113-F249 PolarHBondContact N-O 3.21Å; L113-F249 PolarHBondContact O-N 2.75Å; L113-Y279 HydrophobicContact CD1-CE1 3.96Å; L113-Y279 HydrophobicContact CD2-CD1 4.36Å; L113-Y279 HydrophobicContact CD2-CE1 4.38Å; L113-V281 HydrophobicContact CD2-CG1 4.22Å; L113-R287 WeakPolarHBondContact CA-O 3.35Å; L113-K288 HydrophobicContact CD2-CD 4.43Å; L113-K288 HydrophobicContact CD2-CG 3.85Å
114S98.1Very high97.1Very high21 Ų2151.2 Ų51.215%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-113.7156.2170.271.20000111.5F116 N248 G286 R287S114-F116 PolarHBondContact O-N 3.37Å; S114-N248 WeakPolarHBondContact CA-OD1 3.43Å; S114-N248 WeakPolarHBondContact CB-OD1 3.37Å; S114-G286 WeakPolarHBondContact O-CA 3.49Å; S114-R287 PolarHBondContact N-O 3.19Å; S114-R287 WeakPolarHBondContact OG-CA 3.34Å; S114-R287 WeakPolarHBondContact OG-CB 3.14Å; S114-R287 WeakPolarHBondContact OG-CG 3.26Å; S114-R287 PolarHBondContact OG-N 3.05Å
115N97.8Very high97.1Very high57 Ų5756.2 Ų56.231%0.30526%0.258SS..SBendtrans56.531.4-178.8-152.233.1000114Y117 P247 N248 F284N115-Y117 VanDerWaalsContact OD1-CE2 3.28Å; N115-Y117 WeakPolarHBondContact OD1-CE2 3.4Å; N115-Y117 PolarHBondContact OD1-OH 3.24Å; N115-P247 PolarHBondContact N-O 3.19Å; N115-N248 PolarHBondContact N-OD1 2.94Å; N115-F284 PolarHBondContact ND2-O 3.03Å
116F97.8Very high97.4Very high22 Ų2254.6 Ų54.610%0.09624%0.241CC..  trans-115.3102.7-180-167.3-72.3000110.5L113 S114 Q118 Y123 W240 P247 F249 Y279 F284L113-F116 HydrophobicContact CB-CB 4.29Å; L113-F116 HydrophobicContact CD1-CD2 4.41Å; L113-F116 HydrophobicContact CD1-CG 4.47Å; S114-F116 PolarHBondContact O-N 3.37Å; F116-Q118 HydrophobicContact CD1-CG 3.45Å; F116-Q118 VanDerWaalsContact CD1-CG 3.45Å; F116-Q118 HydrophobicContact CE1-CG 3.56Å; F116-Q118 PolarHBondContact O-N 3.04Å; F116-Y123 HydrophobicContact CE1-CE2 4.09Å; F116-Y123 AromaticContact CE1-CZ 3.83Å; F116-Y123 HydrophobicContact CZ-CE2 4.21Å; F116-W240 HydrophobicContact CE1-CH2 4.14Å; F116-W240 HydrophobicContact CE1-CZ2 4.16Å; F116-W240 HydrophobicContact CZ-CH2 4.03Å; F116-W240 AromaticContact CZ-CZ2 3.96Å; F116-W240 HydrophobicContact CZ-CZ2 3.96Å; F116-P247 PolarHBondContact N-O 3.21Å; F116-P247 WeakPolarHBondContact O-CA 3.36Å; F116-F249 HydrophobicContact CB-CE1 3.83Å; F116-F249 HydrophobicContact CB-CZ 4.29Å; F116-F249 AromaticContact CD1-CE1 3.87Å; F116-F249 HydrophobicContact CD1-CE1 3.87Å; F116-F249 AromaticContact CD1-CZ 3.97Å; F116-F249 HydrophobicContact CD1-CZ 3.97Å; F116-F249 HydrophobicContact CG-CE1 4.17Å; F116-F249 HydrophobicContact CG-CZ 4.28Å; F116-F249 WeakPolarHBondContact O-CE1 3.43Å; F116-Y279 HydrophobicContact CE2-CE1 4.31Å; F116-Y279 WeakPolarHBondContact CE2-OH 3.49Å; F116-Y279 WeakPolarHBondContact CZ-OH 3.15Å; F116-F284 HydrophobicContact CB-CE2 4.46Å; F116-F284 AromaticContact CD2-CE2 3.92Å; F116-F284 HydrophobicContact CD2-CE2 3.92Å; F116-F284 AromaticContact CD2-CZ 3.68Å; F116-F284 HydrophobicContact CD2-CZ 3.68Å; F116-F284 HydrophobicContact CE2-CZ 4.2Å
117Y97.5Very high97.5Very high131 Ų13154.9 Ų54.951%0.51424%0.237SC..  trans-82.969.3-170.6-64.5-91.9000113.5N115 N119 H120 P247N115-Y117 VanDerWaalsContact OD1-CE2 3.28Å; N115-Y117 WeakPolarHBondContact OD1-CE2 3.4Å; N115-Y117 PolarHBondContact OD1-OH 3.24Å; Y117-N119 PolarHBondContact O-N 2.93Å; Y117-H120 WeakPolarHBondContact O-CB 3.45Å; Y117-H120 PolarHBondContact O-N 2.94Å; Y117-H120 VanDerWaalsContact O-N 3.13Å; Y117-P247 HydrophobicContact CD1-CB 3.76Å; Y117-P247 HydrophobicContact CD1-CG 4.34Å; Y117-P247 HydrophobicContact CD2-CB 4.48Å; Y117-P247 HydrophobicContact CE1-CB 3.69Å; Y117-P247 HydrophobicContact CE1-CG 3.96Å; Y117-P247 HydrophobicContact CE2-CB 4.42Å; Y117-P247 HydrophobicContact CG-CB 4.17Å
118Q97.8Very high97.5Very high0 Ų055.7 Ų55.70%024%0.241CC..THydrogen-bonded Turntrans-60.2-28.4174.8-62.6-158.2-35.900112.6F116 H120 Y123 I243 F249F116-Q118 HydrophobicContact CD1-CG 3.45Å; F116-Q118 VanDerWaalsContact CD1-CG 3.45Å; F116-Q118 HydrophobicContact CE1-CG 3.56Å; F116-Q118 PolarHBondContact O-N 3.04Å; Q118-H120 PolarHBondContact O-N 3.16Å; Q118-Y123 HydrophobicContact CB-CD1 4.26Å; Q118-Y123 HydrophobicContact CB-CE1 3.89Å; Q118-Y123 HydrophobicContact CG-CE1 3.98Å; Q118-Y123 WeakPolarHBondContact O-CD1 3.4Å; Q118-I243 HydrophobicContact CB-CG2 3.86Å; Q118-I243 WeakPolarHBondContact O-CG2 3.42Å; Q118-F249 HydrophobicContact CG-CE1 3.7Å; Q118-F249 HydrophobicContact CG-CZ 3.84Å
119N97.2Very high97.4Very high72 Ų7257.2 Ų57.239%0.38525%0.253SS..THydrogen-bonded Turntrans-76.6-2.3179.765.8-7.7000114Y117 R121 A245Y117-N119 PolarHBondContact O-N 2.93Å; N119-R121 PolarHBondContact O-N 2.73Å; N119-A245 PolarHBondContact ND2-O 2.89Å
120H97.5Very high97.3Very high107 Ų10760.2 Ų60.250%0.49527%0.269SS..  trans-61.9128.4176.8-176.3-97.7000110.5Y117 Q118 R122 Y123 A124Y117-H120 WeakPolarHBondContact O-CB 3.45Å; Y117-H120 PolarHBondContact O-N 2.94Å; Y117-H120 VanDerWaalsContact O-N 3.13Å; Q118-H120 PolarHBondContact O-N 3.16Å; H120-R122 VanDerWaalsContact C-N 3.28Å; H120-R122 PolarHBondContact ND1-N 3.13Å; H120-R122 PolarHBondContact O-N 2.89Å; H120-R122 VanDerWaalsContact O-N 3.07Å; H120-Y123 WeakPolarHBondContact O-CA 3.48Å; H120-Y123 WeakPolarHBondContact O-CB 3.18Å; H120-Y123 PolarHBondContact O-N 2.81Å; H120-A124 PolarHBondContact O-N 2.9Å
121R96.6Very high97.1Very high153 Ų15358.3 Ų58.358%0.57726%0.262SS*.Hα-helixtrans-50.1-42.7-170.7-173.3-177.570.185.2-5.6114.1N119 R125N119-R121 PolarHBondContact O-N 2.73Å; R121-R125 WeakPolarHBondContact O-CG 3.28Å; R121-R125 PolarHBondContact O-N 2.82Å
122R96.6Very high97Very high187 Ų18758.1 Ų58.171%0.70626%0.261SS*.Hα-helixtrans-69.8-39.8178.7-68.1-173.9178.8-177.3-0.7111.9H120 S126H120-R122 VanDerWaalsContact C-N 3.28Å; H120-R122 PolarHBondContact ND1-N 3.13Å; H120-R122 PolarHBondContact O-N 2.89Å; H120-R122 VanDerWaalsContact O-N 3.07Å; R122-S126 WeakPolarHBondContact O-CB 3.35Å; R122-S126 PolarHBondContact O-N 2.9Å
123Y97.6Very high96.8Very high29 Ų2961 Ų6111%0.11428%0.275CS..Hα-helixtrans-66-49.7177.5-177.2-83.3000110.2F116 Q118 H120 R125 S126 A161 I162 S165 W240F116-Y123 HydrophobicContact CE1-CE2 4.09Å; F116-Y123 AromaticContact CE1-CZ 3.83Å; F116-Y123 HydrophobicContact CZ-CE2 4.21Å; Q118-Y123 HydrophobicContact CB-CD1 4.26Å; Q118-Y123 HydrophobicContact CB-CE1 3.89Å; Q118-Y123 HydrophobicContact CG-CE1 3.98Å; Q118-Y123 WeakPolarHBondContact O-CD1 3.4Å; H120-Y123 WeakPolarHBondContact O-CA 3.48Å; H120-Y123 WeakPolarHBondContact O-CB 3.18Å; H120-Y123 PolarHBondContact O-N 2.81Å; Y123-R125 PolarHBondContact O-N 2.77Å; Y123-S126 WeakPolarHBondContact O-CB 3.3Å; Y123-S126 PolarHBondContact O-N 2.84Å; Y123-A161 HydrophobicContact CD2-CB 4.06Å; Y123-A161 HydrophobicContact CE2-CB 4.42Å; Y123-I162 HydrophobicContact CD1-CG1 3.92Å; Y123-I162 HydrophobicContact CE1-CB 4.2Å; Y123-I162 HydrophobicContact CE1-CG1 3.71Å; Y123-I162 HydrophobicContact CE1-CG2 4.14Å; Y123-I162 WeakPolarHBondContact O-CD1 3.13Å; Y123-I162 WeakPolarHBondContact O-CG1 3.31Å; Y123-S165 WeakPolarHBondContact CE2-OG 3.32Å; Y123-S165 PolarHBondContact OH-OG 2.76Å; Y123-W240 WeakPolarHBondContact OH-CZ2 3.44Å
124A96.8Very high96.6Very high28 Ų2861 Ų6123%0.23128%0.276CS..Hα-helixtrans-60.7-29.9-176.900000114.4H120 I243H120-A124 PolarHBondContact O-N 2.9Å; A124-I243 VanDerWaalsContact CA-CD1 3.47Å; A124-I243 HydrophobicContact CB-CD1 3.67Å; A124-I243 WeakPolarHBondContact O-CD1 3.37Å
125R96.3Very high96.4Very high162 Ų16264 Ų6461%0.61129%0.289SS*.Hα-helixtrans-86.9-12.7176.4-70.3-176.1177.6-167.7-1.7113.6R121 Y123 K127R121-R125 WeakPolarHBondContact O-CG 3.28Å; R121-R125 PolarHBondContact O-N 2.82Å; Y123-R125 PolarHBondContact O-N 2.77Å; R125-K127 VanDerWaalsContact C-N 3.29Å; R125-K127 PolarHBondContact O-N 3.14Å
126S97.7Very high96.2Very high2 Ų266.8 Ų66.81%0.01430%0.297CS..  trans-83.973.5-171.1-162.90000111.9R122 Y123 S144 C145 G160 A161 I162R122-S126 WeakPolarHBondContact O-CB 3.35Å; R122-S126 PolarHBondContact O-N 2.9Å; Y123-S126 WeakPolarHBondContact O-CB 3.3Å; Y123-S126 PolarHBondContact O-N 2.84Å; S126-S144 VanDerWaalsContact CA-O 3.32Å; S126-S144 WeakPolarHBondContact CA-O 3.36Å; S126-C145 PolarHBondContact OG-O 3.5Å; S126-G160 CarbonylContact O-C 3.43Å; S126-G160 VanDerWaalsContact O-CA 3.27Å; S126-G160 WeakPolarHBondContact O-CA 3.45Å; S126-G160 WeakPolarHBondContact OG-CA 3.49Å; S126-A161 PolarHBondContact O-N 2.93Å; S126-A161 PolarHBondContact OG-N 3.13Å; S126-I162 PolarHBondContact O-N 3.02Å
127K96.7Very high95.9Very high62 Ų6267.5 Ų67.527%0.2730%0.3SS..  trans-159.4168.217459.8167-175.5151.20109.9R125 D129 S144 C145 I162 M241R125-K127 VanDerWaalsContact C-N 3.29Å; R125-K127 PolarHBondContact O-N 3.14Å; K127-D129 WeakPolarHBondContact CD-OD1 3.37Å; K127-D129 VanDerWaalsContact CE-OD1 3.32Å; K127-D129 WeakPolarHBondContact CE-OD1 3.45Å; K127-D129 IonicContact NZ-OD1 3.72Å; K127-D129 PolarHBondContact NZ-OD1 3.4Å; K127-D129 IonicContact NZ-OD2 2.78Å; K127-D129 PolarHBondContact NZ-OD2 3.16Å; K127-S144 PolarHBondContact O-OG 2.77Å; K127-C145 VanDerWaalsContact CA-SG 3.58Å; K127-I162 HydrophobicContact CB-CD1 4.23Å; K127-I162 HydrophobicContact CD-CD1 4.21Å; K127-I162 HydrophobicContact CG-CD1 4.17Å; K127-M241 HydrophobicContact CB-CE 3.9Å; K127-M241 HydrophobicContact CD-CE 4.25Å
128N96.5Very high95.5Very high18 Ų1864.9 Ų64.910%0.09630%0.295CS..  trans-129.3121.3168.3178.7-79.6000109.1D130 Q131 L132 L142 C159N128-D130 WeakPolarHBondContact OD1-CB 3.22Å; N128-D130 PolarHBondContact OD1-N 2.74Å; N128-D130 VanDerWaalsContact OD1-N 3.14Å; N128-Q131 HydrophobicContact CB-CB 4.3Å; N128-Q131 HydrophobicContact CB-CG 4.23Å; N128-Q131 PolarHBondContact OD1-N 3.37Å; N128-L132 WeakPolarHBondContact O-CG 3.31Å; N128-L132 PolarHBondContact O-N 3.27Å; N128-L142 HydrophobicContact CB-CD2 3.63Å; N128-L142 VanDerWaalsContact CG-CD2 3.43Å; N128-L142 VanDerWaalsContact ND2-CD2 3.34Å; N128-L142 WeakPolarHBondContact ND2-CD2 3.49Å; N128-C159 VanDerWaalsContact CB-SG 3.57Å
129D95.9Very high95Very high85 Ų8566.6 Ų66.646%0.45531%0.306SS..Hα-helixtrans-74.2-31.4-173.6-71-32.5000112.2K127 Q131 L132 L133K127-D129 WeakPolarHBondContact CD-OD1 3.37Å; K127-D129 VanDerWaalsContact CE-OD1 3.32Å; K127-D129 WeakPolarHBondContact CE-OD1 3.45Å; K127-D129 IonicContact NZ-OD1 3.72Å; K127-D129 PolarHBondContact NZ-OD1 3.4Å; K127-D129 IonicContact NZ-OD2 2.78Å; K127-D129 PolarHBondContact NZ-OD2 3.16Å; D129-Q131 PolarHBondContact O-N 3.49Å; D129-L132 PolarHBondContact O-N 3.34Å; D129-L132 VanDerWaalsContact O-N 3.15Å; D129-L133 WeakPolarHBondContact O-CG 3.16Å; D129-L133 PolarHBondContact O-N 3.12Å
130D95Very high94.6Very high67 Ų6768 Ų6836%0.35832%0.322SS..Hα-helixtrans-65.7-38.6176.5-62-37.5000112N128 L132 L133 G134 I135 Q137N128-D130 WeakPolarHBondContact OD1-CB 3.22Å; N128-D130 PolarHBondContact OD1-N 2.74Å; N128-D130 VanDerWaalsContact OD1-N 3.14Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.83Å; D130-L133 CarbonylContact O-C 3.56Å; D130-L133 WeakPolarHBondContact O-CB 3.46Å; D130-L133 PolarHBondContact O-N 2.89Å; D130-G134 PolarHBondContact O-N 2.81Å; D130-I135 HydrophobicContact CB-CB 4.33Å; D130-I135 WeakPolarHBondContact O-CB 3.47Å; D130-I135 PolarHBondContact O-N 3Å; D130-Q137 HydrophobicContact CB-CG 3.91Å; D130-Q137 PolarHBondContact OD2-NE2 2.78Å
131Q95Very high94.3Very high5 Ų565.6 Ų65.62%0.02332%0.317CS..Hα-helixtrans-60.3-42171.5-78.7-165.3-23.200111.6N128 D129 L133 G134 Q137 L142 I156 L157 C159 F231N128-Q131 HydrophobicContact CB-CB 4.3Å; N128-Q131 HydrophobicContact CB-CG 4.23Å; N128-Q131 PolarHBondContact OD1-N 3.37Å; D129-Q131 PolarHBondContact O-N 3.49Å; Q131-L133 VanDerWaalsContact C-N 3.25Å; Q131-L133 PolarHBondContact O-N 3.34Å; Q131-G134 WeakPolarHBondContact O-CA 3.43Å; Q131-G134 PolarHBondContact O-N 3.39Å; Q131-Q137 HydrophobicContact CG-CB 4.04Å; Q131-Q137 HydrophobicContact CG-CG 3.98Å; Q131-L142 HydrophobicContact CG-CD2 4.33Å; Q131-I156 PolarHBondContact NE2-O 2.85Å; Q131-L157 HydrophobicContact CB-CD1 4.2Å; Q131-L157 HydrophobicContact CG-CD1 4.2Å; Q131-C159 VanDerWaalsContact OE1-CB 3.32Å; Q131-C159 PolarHBondContact OE1-SG 3.39Å; Q131-F231 WeakPolarHBondContact O-CE2 3.33Å
132L95.9Very high94.1Very high5 Ų558.3 Ų58.33%0.02629%0.289CS..Hα-helixtrans-69.2-25.4177.9-60.6175.8000112.3N128 D129 D130 G134 P158 F202 G203 F231 M241N128-L132 WeakPolarHBondContact O-CG 3.31Å; N128-L132 PolarHBondContact O-N 3.27Å; D129-L132 PolarHBondContact O-N 3.34Å; D129-L132 VanDerWaalsContact O-N 3.15Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.83Å; L132-G134 PolarHBondContact O-N 3.09Å; L132-P158 HydrophobicContact CD2-CB 4.06Å; L132-F202 HydrophobicContact CB-CD1 4.2Å; L132-F202 HydrophobicContact CB-CE1 4.21Å; L132-F202 HydrophobicContact CD1-CE1 4.12Å; L132-F202 HydrophobicContact CD1-CZ 4.21Å; L132-F202 HydrophobicContact CD2-CD1 4.44Å; L132-F202 HydrophobicContact CD2-CE1 3.92Å; L132-F202 HydrophobicContact CG-CE1 4.29Å; L132-F202 WeakPolarHBondContact O-CA 3.49Å; L132-G203 PolarHBondContact O-N 2.98Å; L132-F231 HydrophobicContact CD2-CD1 4.16Å; L132-F231 HydrophobicContact CD2-CE1 3.98Å; L132-M241 HydrophobicContact CD1-CE 3.75Å; L132-M241 HydrophobicContact CD2-CE 4.27Å
133L95.2Very high94Very high64 Ų6453.5 Ų53.534%0.33529%0.285SS..THydrogen-bonded Turntrans-76-2168.2-68.6172.2000113.2D129 D130 Q131 I135 G203D129-L133 WeakPolarHBondContact O-CG 3.16Å; D129-L133 PolarHBondContact O-N 3.12Å; D130-L133 CarbonylContact O-C 3.56Å; D130-L133 WeakPolarHBondContact O-CB 3.46Å; D130-L133 PolarHBondContact O-N 2.89Å; Q131-L133 VanDerWaalsContact C-N 3.25Å; Q131-L133 PolarHBondContact O-N 3.34Å; L133-I135 HydrophobicContact CB-CD1 4.13Å; L133-I135 HydrophobicContact CB-CG1 4.22Å; L133-G203 WeakPolarHBondContact O-CA 3.07Å
134G93.8Very high93.8Very high3 Ų354.6 Ų54.63%0.03130%0.296CS..THydrogen-bonded Turntrans81.916.4179.100000114.3D130 Q131 L132 N206 A209D130-G134 PolarHBondContact O-N 2.81Å; Q131-G134 WeakPolarHBondContact O-CA 3.43Å; Q131-G134 PolarHBondContact O-N 3.39Å; L132-G134 PolarHBondContact O-N 3.09Å; G134-N206 VanDerWaalsContact O-CB 3.27Å; G134-N206 WeakPolarHBondContact O-CB 3.27Å; G134-N206 PolarHBondContact O-N 2.69Å; G134-N206 VanDerWaalsContact O-N 3.1Å; G134-A209 WeakPolarHBondContact O-CB 3.28Å
135I93.7Very high93.8Very high85 Ų8553.3 Ų53.344%0.43629%0.285SS..  trans-93.2136.9-178.3-54.2172.3000109.4D130 L133D130-I135 HydrophobicContact CB-CB 4.33Å; D130-I135 WeakPolarHBondContact O-CB 3.47Å; D130-I135 PolarHBondContact O-N 3Å; L133-I135 HydrophobicContact CB-CD1 4.13Å; L133-I135 HydrophobicContact CB-CG1 4.22Å
136Y92.3Very high93.7Very high116 Ų11650.4 Ų50.446%0.45528%0.282SS..  trans-61.7137.5174.5175.1-93.9000110.1
137Q91.9Very high93.6Very high37 Ų3755.1 Ų55.117%0.17331%0.313CS..  trans-131.9132.4174.9-71.1-64.3-39.100109.4D130 Q131 S141 L142D130-Q137 HydrophobicContact CB-CG 3.91Å; D130-Q137 PolarHBondContact OD2-NE2 2.78Å; Q131-Q137 HydrophobicContact CG-CB 4.04Å; Q131-Q137 HydrophobicContact CG-CG 3.98Å; Q137-S141 PolarHBondContact OE1-OG 2.79Å; Q137-L142 HydrophobicContact CB-CD2 3.69Å; Q137-L142 HydrophobicContact CB-CG 4.29Å; Q137-L142 HydrophobicContact CG-CD2 4.27Å
138D89.2Confident93.6Very high76 Ų7655.7 Ų55.741%0.40631%0.314SS..  trans-67137.3173.7-172.6-89.2000110.1S140 S141D138-S140 PolarHBondContact O-N 2.97Å; D138-S140 WeakPolarHBondContact OD1-CB 3.39Å; D138-S140 PolarHBondContact OD1-N 3.19Å; D138-S140 PolarHBondContact OD1-OG 2.84Å; D138-S141 PolarHBondContact O-N 3.03Å; D138-S141 PolarHBondContact O-OG 2.91Å
139P88Confident93.6Very high35 Ų3555.5 Ų55.523%0.22731%0.313CS..G310 helixtrans-50.1-32.1178.1-26.331.4000114.4S141 L142 V149 P155P139-S141 VanDerWaalsContact C-N 3.3Å; P139-S141 PolarHBondContact O-N 2.9Å; P139-L142 PolarHBondContact O-N 3.16Å; P139-V149 HydrophobicContact CB-CG1 4.26Å; P139-V149 WeakPolarHBondContact O-CG1 3.36Å; P139-P155 HydrophobicContact CG-CB 4.04Å; P139-P155 HydrophobicContact CG-CG 4.21Å
140S89.3Confident93.5Very high103 Ų10353.9 Ų53.972%0.7231%0.308SS*.G310 helixtrans-67.3-25.4178.567.20000113.9D138 L142D138-S140 PolarHBondContact O-N 2.97Å; D138-S140 WeakPolarHBondContact OD1-CB 3.39Å; D138-S140 PolarHBondContact OD1-N 3.19Å; D138-S140 PolarHBondContact OD1-OG 2.84Å; S140-L142 VanDerWaalsContact C-N 3.34Å
141S91.2Very high93.4Very high55 Ų5553.1 Ų53.139%0.38530%0.304SS..G310 helixtrans-81.7-13.2177.4770000113.1Q137 D138 P139 S143Q137-S141 PolarHBondContact OE1-OG 2.79Å; D138-S141 PolarHBondContact O-N 3.03Å; D138-S141 PolarHBondContact O-OG 2.91Å; P139-S141 VanDerWaalsContact C-N 3.3Å; P139-S141 PolarHBondContact O-N 2.9Å; S141-S143 VanDerWaalsContact C-N 3.27Å; S141-S143 PolarHBondContact O-N 2.76Å; S141-S143 VanDerWaalsContact O-N 3.16Å
142L92.5Very high93.2Very high0 Ų060.4 Ų60.40%034%0.343CS..  trans-87.728.4-171.5-59.8-179.7000114.1N128 Q131 Q137 P139 S140 S144 C145 V149 C159N128-L142 HydrophobicContact CB-CD2 3.63Å; N128-L142 VanDerWaalsContact CG-CD2 3.43Å; N128-L142 VanDerWaalsContact ND2-CD2 3.34Å; N128-L142 WeakPolarHBondContact ND2-CD2 3.49Å; Q131-L142 HydrophobicContact CG-CD2 4.33Å; Q137-L142 HydrophobicContact CB-CD2 3.69Å; Q137-L142 HydrophobicContact CB-CG 4.29Å; Q137-L142 HydrophobicContact CG-CD2 4.27Å; P139-L142 PolarHBondContact O-N 3.16Å; S140-L142 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 2.86Å; L142-C145 HydrophobicContact CB-CB 4.43Å; L142-C145 WeakPolarHBondContact O-CB 3.48Å; L142-C145 PolarHBondContact O-N 2.84Å; L142-V149 HydrophobicContact CB-CG1 3.86Å; L142-V149 HydrophobicContact CB-CG2 4.26Å; L142-V149 HydrophobicContact CD1-CG1 4.38Å; L142-V149 VanDerWaalsContact O-CG2 3.25Å; L142-V149 WeakPolarHBondContact O-CG2 3.5Å; L142-C159 HydrophobicContact CD1-CB 4.3Å
143S93.2Very high92.7Very high87 Ų8763.3 Ų63.361%0.60838%0.375SS*.G310 helixtrans-55.9-28.3-175.465.10000114.5S141 C145 N146S141-S143 VanDerWaalsContact C-N 3.27Å; S141-S143 PolarHBondContact O-N 2.76Å; S141-S143 VanDerWaalsContact O-N 3.16Å; S143-C145 VanDerWaalsContact C-N 3.27Å; S143-C145 PolarHBondContact O-N 2.83Å; S143-N146 PolarHBondContact O-N 2.86Å; S143-N146 PolarHBondContact O-ND2 2.83Å
144S94.4Very high92.6Very high52 Ų5265.9 Ų65.936%0.36438%0.383SS..G310 helixtrans-65.7-29.1174.958.30000113S126 K127 L142 N146S126-S144 VanDerWaalsContact CA-O 3.32Å; S126-S144 WeakPolarHBondContact CA-O 3.36Å; K127-S144 PolarHBondContact O-OG 2.77Å; L142-S144 PolarHBondContact O-N 2.86Å; S144-N146 VanDerWaalsContact C-N 3.3Å; S144-N146 PolarHBondContact O-N 2.93Å
145C96.8Very high92.5Very high0 Ų066.3 Ų66.30%039%0.385CS..G310 helixtrans-80.7-4.4-176.8-79.80000114.2S126 K127 L142 S143 Y148 V149 C159 G160S126-C145 PolarHBondContact OG-O 3.5Å; K127-C145 VanDerWaalsContact CA-SG 3.58Å; L142-C145 HydrophobicContact CB-CB 4.43Å; L142-C145 WeakPolarHBondContact O-CB 3.48Å; L142-C145 PolarHBondContact O-N 2.84Å; S143-C145 VanDerWaalsContact C-N 3.27Å; S143-C145 PolarHBondContact O-N 2.83Å; C145-Y148 CarbonylContact O-C 3.51Å; C145-Y148 WeakPolarHBondContact O-CA 3.46Å; C145-Y148 PolarHBondContact O-N 3.22Å; C145-V149 HydrophobicContact CB-CG2 3.92Å; C145-C159 HydrophobicContact CB-CB 3.52Å; C145-C159 WeakPolarHBondContact CB-SG 3.39Å; C145-C159 WeakPolarHBondContact SG-CB 3.35Å; C145-C159 CovalentContact SG-SG 2.03Å; C145-C159 PolarHBondContact SG-SG 3.32Å; C145-G160 PolarHBondContact SG-N 2.93Å
146N94.2Very high92.7Very high102 Ų10262.3 Ų62.355%0.54537%0.365SS..THydrogen-bonded Turntrans-51135.2179.5-81.3-44.1000112.6S143 S144 V149S143-N146 PolarHBondContact O-N 2.86Å; S143-N146 PolarHBondContact O-ND2 2.83Å; S144-N146 VanDerWaalsContact C-N 3.3Å; S144-N146 PolarHBondContact O-N 2.93Å; N146-V149 WeakPolarHBondContact OD1-CG2 3.35Å
147P95Very high92.8Very high101 Ų10157 Ų5766%0.65634%0.344SS*.THydrogen-bonded Turncis-86.61.50.735.9-37000114.8V149P147-V149 PolarHBondContact O-N 2.66Å; P147-V149 VanDerWaalsContact O-N 3.08Å
148Y96.7Very high93.1Very high73 Ų7355.3 Ų55.329%0.28634%0.336SS..THydrogen-bonded Turntrans-88.450.5-174.3-53.1-76.4000112.4C145 C159 G160 A161 N164 P217C145-Y148 CarbonylContact O-C 3.51Å; C145-Y148 WeakPolarHBondContact O-CA 3.46Å; C145-Y148 PolarHBondContact O-N 3.22Å; Y148-C159 WeakPolarHBondContact O-CA 3.46Å; Y148-C159 VanDerWaalsContact O-CB 3.28Å; Y148-C159 WeakPolarHBondContact O-CB 3.48Å; Y148-G160 PolarHBondContact O-N 2.83Å; Y148-G160 VanDerWaalsContact O-N 3.11Å; Y148-A161 VanDerWaalsContact CD2-CA 3.49Å; Y148-A161 HydrophobicContact CD2-CB 3.8Å; Y148-A161 HydrophobicContact CE2-CB 3.58Å; Y148-N164 HydrophobicContact CD1-CB 4.07Å; Y148-N164 HydrophobicContact CE1-CB 4.22Å; Y148-N164 WeakPolarHBondContact CE1-ND2 2.97Å; Y148-N164 HydrophobicContact CG-CB 4.29Å; Y148-P217 HydrophobicContact CD1-CG 4.41Å
149V96.2Very high93.4Very high14 Ų1451.8 Ų51.89%0.08532%0.318CS..THydrogen-bonded Turntrans-92-50.4-179.9174.10000111.4P139 L142 C145 N146 P147 I156P139-V149 HydrophobicContact CB-CG1 4.26Å; P139-V149 WeakPolarHBondContact O-CG1 3.36Å; L142-V149 HydrophobicContact CB-CG1 3.86Å; L142-V149 HydrophobicContact CB-CG2 4.26Å; L142-V149 HydrophobicContact CD1-CG1 4.38Å; L142-V149 VanDerWaalsContact O-CG2 3.25Å; L142-V149 WeakPolarHBondContact O-CG2 3.5Å; C145-V149 HydrophobicContact CB-CG2 3.92Å; N146-V149 WeakPolarHBondContact OD1-CG2 3.35Å; P147-V149 PolarHBondContact O-N 2.66Å; P147-V149 VanDerWaalsContact O-N 3.08Å; V149-I156 PolarHBondContact O-N 3.39Å
150S93.6Very high93.9Very high51 Ų5150.1 Ų50.136%0.35731%0.307SS..EExtended strand (participates in β ladder)trans-152.6160.4-176.356.30000111.8K154S150-K154 CarbonylContact C-O 3.56Å; S150-K154 WeakPolarHBondContact CA-O 3.22Å; S150-K154 WeakPolarHBondContact CB-O 3.34Å
151I93.6Very high94.3Very high52 Ų5246 Ų4627%0.26728%0.279SS..EExtended strand (participates in β ladder)trans-130.5126.9171.4-53.1173.9000106.6G153 K154 I156 I214 P217I151-G153 PolarHBondContact O-N 2.74Å; I151-G153 VanDerWaalsContact O-N 3.16Å; I151-K154 PolarHBondContact N-O 2.87Å; I151-K154 WeakPolarHBondContact O-CB 3.4Å; I151-K154 PolarHBondContact O-N 2.83Å; I151-I156 HydrophobicContact CD1-CD1 4.09Å; I151-I156 HydrophobicContact CD1-CG1 4.15Å; I151-I156 HydrophobicContact CG1-CD1 3.78Å; I151-I156 HydrophobicContact CG1-CG1 3.92Å; I151-I214 HydrophobicContact CB-CD1 4.44Å; I151-I214 HydrophobicContact CB-CG2 4.31Å; I151-I214 HydrophobicContact CD1-CD1 4.42Å; I151-I214 HydrophobicContact CD1-CG2 4.35Å; I151-I214 HydrophobicContact CG1-CG2 4.4Å; I151-P217 HydrophobicContact CD1-CG 3.85Å
152D90.3Very high94.6Very high157 Ų15743.3 Ų43.384%0.8426%0.26SS*.THydrogen-bonded Turntrans50.640.6-179.5-53.6-34.4000113.2K154D152-K154 PolarHBondContact O-N 3.2Å
153G86.6Confident94.9Very high67 Ų6743.3 Ų43.369%0.69126%0.26SS*.THydrogen-bonded Turntrans78.3-7.5-178.800000115.5I151I151-G153 PolarHBondContact O-N 2.74Å; I151-G153 VanDerWaalsContact O-N 3.16Å
154K91.3Very high95.1Very high117 Ų11739.4 Ų39.451%0.50923%0.232SC..EExtended strand (participates in β ladder)trans-90.2127.6178.1-64.5-178.6-178.9177.30111.4S150 I151 D152 I156 I214S150-K154 CarbonylContact C-O 3.56Å; S150-K154 WeakPolarHBondContact CA-O 3.22Å; S150-K154 WeakPolarHBondContact CB-O 3.34Å; I151-K154 PolarHBondContact N-O 2.87Å; I151-K154 WeakPolarHBondContact O-CB 3.4Å; I151-K154 PolarHBondContact O-N 2.83Å; D152-K154 PolarHBondContact O-N 3.2Å; K154-I156 PolarHBondContact O-N 3.06Å; K154-I214 HydrophobicContact CB-CB 4.39Å; K154-I214 HydrophobicContact CB-CG2 4.26Å
155P93.5Very high95.3Very high12 Ų1238 Ų388%0.07822%0.223CC..EExtended strand (participates in β ladder)trans-59.9135.1177.117.6-27.7000112.5P139 N212 T213 I214P139-P155 HydrophobicContact CG-CB 4.04Å; P139-P155 HydrophobicContact CG-CG 4.21Å; P155-N212 WeakPolarHBondContact CD-O 3.29Å; P155-T213 HydrophobicContact CG-CG2 4.12Å; P155-T213 CarbonylContact O-C 3.54Å; P155-T213 VanDerWaalsContact O-CA 3.32Å; P155-T213 WeakPolarHBondContact O-CA 3.5Å; P155-I214 PolarHBondContact O-N 2.89Å
156I96.3Very high95.3Very high2 Ų238.3 Ų38.31%0.0122%0.224CC..BIsolated β-bridgetrans-75.8132.2170.7-67.3162.9000109Q131 V149 I151 K154 P158 C159 I214 P216Q131-I156 PolarHBondContact NE2-O 2.85Å; V149-I156 PolarHBondContact O-N 3.39Å; I151-I156 HydrophobicContact CD1-CD1 4.09Å; I151-I156 HydrophobicContact CD1-CG1 4.15Å; I151-I156 HydrophobicContact CG1-CD1 3.78Å; I151-I156 HydrophobicContact CG1-CG1 3.92Å; K154-I156 PolarHBondContact O-N 3.06Å; I156-P158 WeakPolarHBondContact CG2-O 3.28Å; I156-C159 WeakPolarHBondContact O-CB 3.48Å; I156-C159 PolarHBondContact O-N 2.91Å; I156-I214 CarbonylContact C-O 3.51Å; I156-I214 WeakPolarHBondContact CA-O 3.44Å; I156-I214 HydrophobicContact CG1-CG2 3.88Å; I156-P216 HydrophobicContact CG2-CB 4.01Å; I156-P216 HydrophobicContact CG2-CG 3.77Å
157L95.7Very high95.4Very high4 Ų434.3 Ų34.32%0.02120%0.202CC..SBendtrans-129.3118.2176.7-175.372.2000111.7Q131 L205 L210 T213 I214 P216 I223 F231Q131-L157 HydrophobicContact CB-CD1 4.2Å; Q131-L157 HydrophobicContact CG-CD1 4.2Å; L157-L205 HydrophobicContact CD2-CD1 4.03Å; L157-L205 HydrophobicContact CD2-CD2 4.22Å; L157-L210 HydrophobicContact CD2-CD1 3.86Å; L157-T213 HydrophobicContact CB-CG2 3.9Å; L157-T213 HydrophobicContact CD2-CG2 4.07Å; L157-I214 PolarHBondContact N-O 3.23Å; L157-P216 WeakPolarHBondContact O-CD 3.3Å; L157-I223 HydrophobicContact CD2-CG2 4.1Å; L157-I223 HydrophobicContact CG-CG2 4.39Å; L157-F231 HydrophobicContact CD1-CE2 4.09Å; L157-F231 HydrophobicContact CD1-CZ 3.86Å; L157-F231 HydrophobicContact CG-CE2 4.42Å; L157-F231 HydrophobicContact CG-CZ 4.04Å
158P96.6Very high95.5Very high1 Ų131.4 Ų31.41%0.00618%0.181CC..SBendcis-73142.2-11.627.4-32.3000113.2L132 I156 A163 P216 W219 F231L132-P158 HydrophobicContact CD2-CB 4.06Å; I156-P158 WeakPolarHBondContact CG2-O 3.28Å; P158-A163 HydrophobicContact CB-CB 4.01Å; P158-A163 HydrophobicContact CG-CB 3.64Å; P158-P216 WeakPolarHBondContact O-CG 3.39Å; P158-W219 HydrophobicContact CG-CH2 3.49Å; P158-W219 VanDerWaalsContact CG-CH2 3.49Å; P158-W219 HydrophobicContact CG-CZ2 3.68Å; P158-W219 HydrophobicContact CG-CZ3 4.35Å; P158-F231 HydrophobicContact CB-CE1 3.76Å; P158-F231 HydrophobicContact CB-CZ 3.94Å; P158-F231 HydrophobicContact CG-CE1 3.81Å; P158-F231 HydrophobicContact CG-CZ 4.3Å
159C97.3Very high95.5Very high2 Ų228.1 Ų28.11%0.01417%0.168CC..  trans-74.2160.4178.977.20000113.2N128 Q131 L142 C145 Y148 I156N128-C159 VanDerWaalsContact CB-SG 3.57Å; Q131-C159 VanDerWaalsContact OE1-CB 3.32Å; Q131-C159 PolarHBondContact OE1-SG 3.39Å; L142-C159 HydrophobicContact CD1-CB 4.3Å; C145-C159 HydrophobicContact CB-CB 3.52Å; C145-C159 WeakPolarHBondContact CB-SG 3.39Å; C145-C159 WeakPolarHBondContact SG-CB 3.35Å; C145-C159 CovalentContact SG-SG 2.03Å; C145-C159 PolarHBondContact SG-SG 3.32Å; Y148-C159 WeakPolarHBondContact O-CA 3.46Å; Y148-C159 VanDerWaalsContact O-CB 3.28Å; Y148-C159 WeakPolarHBondContact O-CB 3.48Å; I156-C159 WeakPolarHBondContact O-CB 3.48Å; I156-C159 PolarHBondContact O-N 2.91Å
160G97.8Very high95.5Very high0 Ų030.6 Ų30.60%018%0.184CC..SBendtrans98.8162.2168.700000116.1S126 C145 Y148 I162 A163 N164S126-G160 CarbonylContact O-C 3.43Å; S126-G160 VanDerWaalsContact O-CA 3.27Å; S126-G160 WeakPolarHBondContact O-CA 3.45Å; S126-G160 WeakPolarHBondContact OG-CA 3.49Å; C145-G160 PolarHBondContact SG-N 2.93Å; Y148-G160 PolarHBondContact O-N 2.83Å; Y148-G160 VanDerWaalsContact O-N 3.11Å; G160-I162 VanDerWaalsContact C-N 3.31Å; G160-I162 PolarHBondContact O-N 3.43Å; G160-A163 PolarHBondContact O-N 3.01Å; G160-N164 WeakPolarHBondContact O-CB 3.2Å; G160-N164 PolarHBondContact O-N 2.93Å
161A97.9Very high95.7Very high16 Ų1629.2 Ų29.213%0.13217%0.171CC..Hα-helixtrans-66.3-32.4-173.700000112.9Y123 S126 Y148 S165Y123-A161 HydrophobicContact CD2-CB 4.06Å; Y123-A161 HydrophobicContact CE2-CB 4.42Å; S126-A161 PolarHBondContact O-N 2.93Å; S126-A161 PolarHBondContact OG-N 3.13Å; Y148-A161 VanDerWaalsContact CD2-CA 3.49Å; Y148-A161 HydrophobicContact CD2-CB 3.8Å; Y148-A161 HydrophobicContact CE2-CB 3.58Å; A161-S165 WeakPolarHBondContact O-CB 2.84Å; A161-S165 PolarHBondContact O-N 2.81Å; A161-S165 VanDerWaalsContact O-N 3.13Å; A161-S165 PolarHBondContact O-OG 2.81Å
162I98.1Very high95.9Very high0 Ų030.8 Ų30.80%018%0.179CC..Hα-helixtrans-63.9-55.8179.8-50.8175000108.7Y123 S126 K127 G160 N164 S165 W240 M241 I243Y123-I162 HydrophobicContact CD1-CG1 3.92Å; Y123-I162 HydrophobicContact CE1-CB 4.2Å; Y123-I162 HydrophobicContact CE1-CG1 3.71Å; Y123-I162 HydrophobicContact CE1-CG2 4.14Å; Y123-I162 WeakPolarHBondContact O-CD1 3.13Å; Y123-I162 WeakPolarHBondContact O-CG1 3.31Å; S126-I162 PolarHBondContact O-N 3.02Å; K127-I162 HydrophobicContact CB-CD1 4.23Å; K127-I162 HydrophobicContact CD-CD1 4.21Å; K127-I162 HydrophobicContact CG-CD1 4.17Å; G160-I162 VanDerWaalsContact C-N 3.31Å; G160-I162 PolarHBondContact O-N 3.43Å; I162-N164 PolarHBondContact O-N 3.08Å; I162-S165 PolarHBondContact O-N 2.85Å; I162-S165 PolarHBondContact O-OG 3.42Å; I162-W240 PolarHBondContact O-NE1 3.42Å; I162-M241 HydrophobicContact CB-CE 4.08Å; I162-M241 HydrophobicContact CB-SD 3.93Å; I162-M241 HydrophobicContact CG2-CE 4.08Å; I162-M241 HydrophobicContact CG2-SD 3.5Å; I162-M241 WeakPolarHBondContact CG2-SD 3.41Å; I162-I243 HydrophobicContact CD1-CD1 3.81Å; I162-I243 HydrophobicContact CD1-CG1 4.03Å
163A97.8Very high96.2Very high0 Ų023.5 Ų23.50%014%0.141CC..Hα-helixtrans-57.7-51.5177.200000111.7P158 G160 S165 I166 W219 M241P158-A163 HydrophobicContact CB-CB 4.01Å; P158-A163 HydrophobicContact CG-CB 3.64Å; G160-A163 PolarHBondContact O-N 3.01Å; A163-S165 PolarHBondContact O-N 2.88Å; A163-S165 VanDerWaalsContact O-N 3.14Å; A163-I166 WeakPolarHBondContact O-CB 3.37Å; A163-I166 PolarHBondContact O-N 3.05Å; A163-I166 VanDerWaalsContact O-N 3.09Å; A163-W219 HydrophobicContact CB-CZ2 4.36Å; A163-W219 PolarHBondContact O-NE1 2.04Å; A163-M241 HydrophobicContact CB-SD 4.2Å
164N98Very high96.7Very high4 Ų420.7 Ų20.72%0.02111%0.11CC..Hα-helixtrans-55.7-36.9-176.1-17854.7000112.7Y148 G160 I162 I166 P216 P217 N218Y148-N164 HydrophobicContact CD1-CB 4.07Å; Y148-N164 HydrophobicContact CE1-CB 4.22Å; Y148-N164 WeakPolarHBondContact CE1-ND2 2.97Å; Y148-N164 HydrophobicContact CG-CB 4.29Å; G160-N164 WeakPolarHBondContact O-CB 3.2Å; G160-N164 PolarHBondContact O-N 2.93Å; I162-N164 PolarHBondContact O-N 3.08Å; N164-I166 VanDerWaalsContact C-N 3.31Å; N164-I166 PolarHBondContact O-N 3.25Å; N164-P216 HydrophobicContact CB-CB 4.17Å; N164-P217 VanDerWaalsContact OD1-CD 3.26Å; N164-P217 WeakPolarHBondContact OD1-CD 3.06Å; N164-N218 PolarHBondContact ND2-ND2 2.96Å; N164-N218 VanDerWaalsContact ND2-ND2 3.18Å; N164-N218 WeakPolarHBondContact O-CB 3.19Å; N164-N218 WeakPolarHBondContact OD1-CB 3.16Å; N164-N218 PolarHBondContact OD1-N 2.78Å
165S97.3Very high97Very high23 Ų2316.2 Ų16.216%0.1619%0.09CC..THydrogen-bonded Turntrans-89.921.6-177.761.50000114.6Y123 A161 I162 A163 F167 W240 Y279Y123-S165 WeakPolarHBondContact CE2-OG 3.32Å; Y123-S165 PolarHBondContact OH-OG 2.76Å; A161-S165 WeakPolarHBondContact O-CB 2.84Å; A161-S165 PolarHBondContact O-N 2.81Å; A161-S165 VanDerWaalsContact O-N 3.13Å; A161-S165 PolarHBondContact O-OG 2.81Å; I162-S165 PolarHBondContact O-N 2.85Å; I162-S165 PolarHBondContact O-OG 3.42Å; A163-S165 PolarHBondContact O-N 2.88Å; A163-S165 VanDerWaalsContact O-N 3.14Å; S165-F167 PolarHBondContact O-N 2.87Å; S165-W240 WeakPolarHBondContact O-CZ2 3.39Å; S165-Y279 VanDerWaalsContact O-CE2 3.22Å; S165-Y279 WeakPolarHBondContact O-CE2 3.32Å; S165-Y279 PolarHBondContact O-OH 3.25Å
166I97.2Very high97.2Very high7 Ų717.1 Ų17.14%0.0369%0.094CC..  trans-51.8133.8179.6-166.8166.3000112.9A163 N164 N168 W219 L237 W240 Y279A163-I166 WeakPolarHBondContact O-CB 3.37Å; A163-I166 PolarHBondContact O-N 3.05Å; A163-I166 VanDerWaalsContact O-N 3.09Å; N164-I166 VanDerWaalsContact C-N 3.31Å; N164-I166 PolarHBondContact O-N 3.25Å; I166-N168 PolarHBondContact O-N 2.87Å; I166-W219 HydrophobicContact CG2-CG 4.41Å; I166-W219 HydrophobicContact CG2-CZ2 4.37Å; I166-L237 HydrophobicContact CD1-CB 4.16Å; I166-L237 HydrophobicContact CD1-CD1 3.83Å; I166-W240 HydrophobicContact CB-CG 4.29Å; I166-W240 HydrophobicContact CD1-CB 4.36Å; I166-W240 HydrophobicContact CG1-CB 4.04Å; I166-W240 HydrophobicContact CG1-CD2 4.42Å; I166-W240 HydrophobicContact CG1-CG 3.84Å; I166-Y279 VanDerWaalsContact O-CE2 3.3Å; I166-Y279 WeakPolarHBondContact O-CE2 3.47Å
167F97.4Very high97Very high17 Ų1721.3 Ų21.38%0.07511%0.109CC..  trans-63129.8174-177.3-95.8000110.9Y69 Y111 L113 S165 D169 F171 W240 Y279 K288Y69-F167 VanDerWaalsContact OH-CZ 3.3Å; Y69-F167 WeakPolarHBondContact OH-CZ 3.36Å; Y111-F167 AromaticContact CD1-CD1 3.82Å; Y111-F167 HydrophobicContact CD1-CD1 3.82Å; Y111-F167 AromaticContact CD1-CE1 3.75Å; Y111-F167 HydrophobicContact CD1-CE1 3.75Å; Y111-F167 HydrophobicContact CD1-CZ 4.43Å; Y111-F167 AromaticContact CD2-CD1 3.87Å; Y111-F167 HydrophobicContact CD2-CD1 3.87Å; Y111-F167 AromaticContact CD2-CD2 3.96Å; Y111-F167 HydrophobicContact CD2-CD2 3.96Å; Y111-F167 AromaticContact CD2-CE1 3.96Å; Y111-F167 HydrophobicContact CD2-CE1 3.96Å; Y111-F167 HydrophobicContact CD2-CE2 4.04Å; Y111-F167 AromaticContact CD2-CG 3.85Å; Y111-F167 HydrophobicContact CD2-CG 3.85Å; Y111-F167 AromaticContact CD2-CZ 4Å; Y111-F167 HydrophobicContact CD2-CZ 4Å; Y111-F167 AromaticContact CE1-CD1 3.86Å; Y111-F167 HydrophobicContact CE1-CD1 3.86Å; Y111-F167 HydrophobicContact CE1-CE1 4.27Å; Y111-F167 HydrophobicContact CE1-CG 4.46Å; Y111-F167 HydrophobicContact CE2-CB 3.82Å; Y111-F167 AromaticContact CE2-CD1 3.83Å; Y111-F167 HydrophobicContact CE2-CD1 3.83Å; Y111-F167 HydrophobicContact CE2-CD2 4.07Å; Y111-F167 HydrophobicContact CE2-CE1 4.38Å; Y111-F167 AromaticContact CE2-CG 3.63Å; Y111-F167 HydrophobicContact CE2-CG 3.63Å; Y111-F167 AromaticContact CG-CD1 3.85Å; Y111-F167 HydrophobicContact CG-CD1 3.85Å; Y111-F167 AromaticContact CG-CE1 3.6Å; Y111-F167 HydrophobicContact CG-CE1 3.6Å; Y111-F167 HydrophobicContact CG-CE2 4.34Å; Y111-F167 HydrophobicContact CG-CG 4.3Å; Y111-F167 AromaticContact CG-CZ 3.83Å; Y111-F167 HydrophobicContact CG-CZ 3.83Å; Y111-F167 AromaticContact CZ-CD1 3.82Å; Y111-F167 AromaticContact CZ-CG 3.96Å; L113-F167 HydrophobicContact CD1-CD2 4.25Å; L113-F167 HydrophobicContact CD2-CD2 4.25Å; L113-F167 HydrophobicContact CD2-CE2 4.14Å; S165-F167 PolarHBondContact O-N 2.87Å; F167-D169 HydrophobicContact CE1-CB 3.78Å; F167-D169 HydrophobicContact CE2-CB 4.19Å; F167-D169 HydrophobicContact CZ-CB 3.49Å; F167-D169 VanDerWaalsContact CZ-CB 3.49Å; F167-F171 HydrophobicContact CE1-CE2 4.02Å; F167-F171 HydrophobicContact CE1-CZ 4.17Å; F167-F171 HydrophobicContact CZ-CE2 4.26Å; F167-F171 AromaticContact CZ-CZ 3.95Å; F167-F171 HydrophobicContact CZ-CZ 3.95Å; F167-W240 HydrophobicContact CB-CE3 3.86Å; F167-W240 HydrophobicContact CB-CH2 4.35Å; F167-W240 HydrophobicContact CB-CZ3 3.71Å; F167-Y279 AromaticContact CD2-CD1 3.83Å; F167-Y279 HydrophobicContact CD2-CD1 3.83Å; F167-Y279 HydrophobicContact CD2-CD2 4.29Å; F167-Y279 HydrophobicContact CD2-CE1 4.28Å; F167-Y279 AromaticContact CD2-CG 3.81Å; F167-Y279 HydrophobicContact CD2-CG 3.81Å; F167-Y279 HydrophobicContact CE2-CD1 4.29Å; F167-Y279 HydrophobicContact CE2-CG 4.31Å; F167-K288 HydrophobicContact CE2-CD 4.39Å
168N96Very high96.7Very high40 Ų4027 Ų2721%0.21415%0.15CC..  trans-132.39.6-17168.5-11000114.7I166 F278 Y279I166-N168 PolarHBondContact O-N 2.87Å; N168-F278 WeakPolarHBondContact OD1-CB 3.46Å; N168-Y279 WeakPolarHBondContact OD1-CA 3.5Å; N168-Y279 WeakPolarHBondContact OD1-CB 3.47Å; N168-Y279 WeakPolarHBondContact OD1-CD2 3.3Å; N168-Y279 PolarHBondContact OD1-N 3.08Å
169D97.3Very high96.5Very high4 Ų431.8 Ų31.82%0.02118%0.176CC..  trans-68151.1166.6-60.5-24.7000109.7Y69 F167 F171 N276 F278 Y279 K288Y69-D169 VanDerWaalsContact CE2-OD2 3.24Å; Y69-D169 WeakPolarHBondContact CE2-OD2 3.33Å; Y69-D169 PolarHBondContact OH-OD2 3.13Å; F167-D169 HydrophobicContact CE1-CB 3.78Å; F167-D169 HydrophobicContact CE2-CB 4.19Å; F167-D169 HydrophobicContact CZ-CB 3.49Å; F167-D169 VanDerWaalsContact CZ-CB 3.49Å; D169-F171 HydrophobicContact CB-CZ 4.27Å; D169-N276 VanDerWaalsContact CA-O 3.29Å; D169-N276 WeakPolarHBondContact CA-O 3.33Å; D169-N276 WeakPolarHBondContact CB-O 3.17Å; D169-F278 PolarHBondContact OD1-N 3.47Å; D169-Y279 WeakPolarHBondContact OD1-CB 3.25Å; D169-Y279 PolarHBondContact OD1-N 3.23Å; D169-K288 IonicContact OD1-NZ 3.19Å; D169-K288 PolarHBondContact OD1-NZ 3.45Å; D169-K288 VanDerWaalsContact OD2-CD 3.31Å; D169-K288 WeakPolarHBondContact OD2-CD 3.26Å; D169-K288 WeakPolarHBondContact OD2-CE 3.49Å; D169-K288 IonicContact OD2-NZ 3.84Å; D169-K288 PolarHBondContact OD2-NZ 2.96Å
170T96.8Very high96.2Very high67 Ų6738.1 Ų38.141%0.41121%0.209SC..EExtended strand (participates in β ladder)trans-127.7151.1173.456.20000110.8I275 N276T170-I275 WeakPolarHBondContact O-CA 3.46Å; T170-N276 PolarHBondContact N-O 2.73Å; T170-N276 PolarHBondContact O-N 3.06Å; T170-N276 VanDerWaalsContact OG1-CB 3.31Å; T170-N276 WeakPolarHBondContact OG1-CB 3.17Å; T170-N276 PolarHBondContact OG1-ND2 3.18Å
171F97.4Very high96.1Very high21 Ų2140.6 Ų40.69%0.09223%0.225CC..EExtended strand (participates in β ladder)trans-125.6132.8-173.7-50.1-74.4000109.8Y69 L109 F167 D169 V274 I275 F290Y69-F171 AromaticContact CE1-CE1 3.83Å; Y69-F171 HydrophobicContact CE1-CE1 3.83Å; Y69-F171 HydrophobicContact CE1-CZ 4.04Å; Y69-F171 HydrophobicContact CE2-CE1 4.27Å; Y69-F171 AromaticContact CZ-CE1 3.68Å; Y69-F171 AromaticContact CZ-CZ 3.83Å; Y69-F171 WeakPolarHBondContact OH-CZ 3.46Å; L109-F171 HydrophobicContact CD2-CD2 3.89Å; L109-F171 HydrophobicContact CD2-CE2 4.41Å; F167-F171 HydrophobicContact CE1-CE2 4.02Å; F167-F171 HydrophobicContact CE1-CZ 4.17Å; F167-F171 HydrophobicContact CZ-CE2 4.26Å; F167-F171 AromaticContact CZ-CZ 3.95Å; F167-F171 HydrophobicContact CZ-CZ 3.95Å; D169-F171 HydrophobicContact CB-CZ 4.27Å; F171-V274 WeakPolarHBondContact CA-O 3.45Å; F171-I275 HydrophobicContact CD1-CB 4.44Å; F171-I275 HydrophobicContact CD1-CG1 4.06Å; F171-I275 HydrophobicContact CD1-CG2 4Å; F171-I275 HydrophobicContact CE1-CG1 4.43Å; F171-I275 HydrophobicContact CE1-CG2 3.84Å; F171-F290 HydrophobicContact CB-CD2 4.18Å; F171-F290 HydrophobicContact CB-CE2 3.74Å; F171-F290 AromaticContact CD1-CD2 3.48Å; F171-F290 HydrophobicContact CD1-CD2 3.48Å; F171-F290 VanDerWaalsContact CD1-CD2 3.48Å; F171-F290 AromaticContact CD1-CE2 3.95Å; F171-F290 HydrophobicContact CD1-CE2 3.95Å; F171-F290 HydrophobicContact CD2-CD2 4.12Å; F171-F290 HydrophobicContact CD2-CE2 4.25Å; F171-F290 HydrophobicContact CE1-CB 4.42Å; F171-F290 AromaticContact CE1-CD2 3.78Å; F171-F290 HydrophobicContact CE1-CD2 3.78Å; F171-F290 HydrophobicContact CE2-CD2 4.38Å; F171-F290 AromaticContact CG-CD2 3.66Å; F171-F290 HydrophobicContact CG-CD2 3.66Å; F171-F290 AromaticContact CG-CE2 3.72Å; F171-F290 HydrophobicContact CG-CE2 3.72Å; F171-F290 HydrophobicContact CZ-CD2 4.22Å
172I97.4Very high96Very high85 Ų8545.4 Ų45.444%0.43624%0.242SC..EExtended strand (participates in β ladder)trans-118.4124.7167.6-56.7171000106.3I273 V274I172-I273 WeakPolarHBondContact O-CA 3.36Å; I172-V274 HydrophobicContact CB-CB 4.22Å; I172-V274 PolarHBondContact N-O 2.76Å; I172-V274 PolarHBondContact O-N 2.89Å
173L97.2Very high95.9Very high5 Ų547 Ų473%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-109.8127.7-177.7-176.369.6000109.3V185 L266 Y271 I273 F290 L292L173-V185 HydrophobicContact CB-CB 4.07Å; L173-V185 HydrophobicContact CB-CG2 4.24Å; L173-V185 HydrophobicContact CD2-CB 3.93Å; L173-V185 HydrophobicContact CD2-CG1 4.03Å; L173-V185 HydrophobicContact CD2-CG2 3.79Å; L173-V185 HydrophobicContact CG-CB 4.02Å; L173-V185 HydrophobicContact CG-CG2 3.71Å; L173-V185 WeakPolarHBondContact O-CB 3.4Å; L173-V185 PolarHBondContact O-N 2.61Å; L173-L266 HydrophobicContact CD2-CD1 4.29Å; L173-Y271 HydrophobicContact CD1-CD1 4.01Å; L173-Y271 HydrophobicContact CD1-CG 4.32Å; L173-Y271 HydrophobicContact CD2-CD1 4.25Å; L173-Y271 HydrophobicContact CG-CD1 4.01Å; L173-I273 HydrophobicContact CD1-CG1 3.7Å; L173-F290 HydrophobicContact CD1-CZ 4.37Å; L173-L292 HydrophobicContact CD1-CD1 4.35Å; L173-L292 HydrophobicContact CD2-CD1 3.84Å; L173-L292 HydrophobicContact CD2-CD2 4.13Å
174T97.6Very high95.8Very high7 Ų751.9 Ų51.94%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-124.6123.4-179-52.30000109.1K182 V183 N184 Y271 E272T174-K182 HydrophobicContact CG2-CB 3.72Å; T174-K182 HydrophobicContact CG2-CD 4.23Å; T174-K182 HydrophobicContact CG2-CG 4.18Å; T174-V183 CarbonylContact C-O 3.57Å; T174-V183 WeakPolarHBondContact CA-O 3.46Å; T174-N184 PolarHBondContact OG1-OD1 2.86Å; T174-Y271 CarbonylContact O-C 3.58Å; T174-Y271 VanDerWaalsContact O-CA 3.27Å; T174-Y271 WeakPolarHBondContact O-CA 3.3Å; T174-E272 PolarHBondContact N-O 2.95Å; T174-E272 PolarHBondContact O-N 3.09Å
175Y97.1Very high95.7Very high23 Ų2352.1 Ų52.19%0.0928%0.28CS..EExtended strand (participates in β ladder)trans-82.5132.1171.8179.3-129.7000110.1R177 K182 V183 F262 P267 S268 Y271Y175-R177 HydrophobicContact CD1-CG 3.9Å; Y175-R177 HydrophobicContact CE1-CB 4.42Å; Y175-R177 HydrophobicContact CE1-CG 3.7Å; Y175-K182 WeakPolarHBondContact O-CA 3.3Å; Y175-V183 PolarHBondContact N-O 3.38Å; Y175-V183 PolarHBondContact O-N 3.47Å; Y175-F262 HydrophobicContact CD1-CE1 4.19Å; Y175-F262 HydrophobicContact CD1-CZ 4.44Å; Y175-F262 HydrophobicContact CG-CE1 4.18Å; Y175-F262 HydrophobicContact CG-CZ 4.49Å; Y175-P267 HydrophobicContact CD1-CG 4.44Å; Y175-P267 HydrophobicContact CE1-CG 3.87Å; Y175-P267 HydrophobicContact CE2-CG 4.07Å; Y175-S268 PolarHBondContact OH-O 3.22Å; Y175-Y271 HydrophobicContact CD2-CD1 4.08Å; Y175-Y271 HydrophobicContact CD2-CD2 4.27Å; Y175-Y271 AromaticContact CD2-CE1 3.56Å; Y175-Y271 HydrophobicContact CD2-CE1 3.56Å; Y175-Y271 AromaticContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CG 4.41Å; Y175-Y271 AromaticContact CD2-CZ 3.37Å; Y175-Y271 HydrophobicContact CE2-CE2 4.12Å; Y175-Y271 AromaticContact CE2-CZ 3.96Å; Y175-Y271 HydrophobicContact CG-CD1 4.5Å; Y175-Y271 AromaticContact CG-CE1 3.91Å; Y175-Y271 HydrophobicContact CG-CE1 3.91Å
176I96.3Very high95.7Very high32 Ų3255.2 Ų55.216%0.16430%0.297CS..EExtended strand (participates in β ladder)trans-102.5107.9173.6-57167.2000106.9K182 T270 E272I176-K182 HydrophobicContact CG1-CG 4.27Å; I176-T270 HydrophobicContact CD1-CG2 4.09Å; I176-T270 PolarHBondContact N-O 3.33Å; I176-E272 HydrophobicContact CD1-CB 4.46Å
177R92.4Very high95.6Very high89 Ų8957.4 Ų57.434%0.33631%0.311SS..  trans-66.8164.4176.7-66.8-163.1-171.5133.8-9.6110.9Y175 D179 N180 T181 V183 D261Y175-R177 HydrophobicContact CD1-CG 3.9Å; Y175-R177 HydrophobicContact CE1-CB 4.42Å; Y175-R177 HydrophobicContact CE1-CG 3.7Å; R177-D179 WeakPolarHBondContact CB-OD1 3.24Å; R177-D179 PolarHBondContact O-N 2.81Å; R177-D179 VanDerWaalsContact O-N 3.13Å; R177-N180 WeakPolarHBondContact O-CA 3.41Å; R177-N180 PolarHBondContact O-N 2.84Å; R177-T181 WeakPolarHBondContact CB-OG1 3.31Å; R177-T181 WeakPolarHBondContact CD-OG1 3.41Å; R177-T181 PolarHBondContact N-O 3.23Å; R177-T181 PolarHBondContact NH1-OG1 2.94Å; R177-V183 HydrophobicContact CG-CG2 4.1Å; R177-D261 IonicContact CZ-OD1 3.94Å; R177-D261 IonicContact CZ-OD2 3.18Å; R177-D261 IonicContact NE-OD1 3.71Å; R177-D261 IonicContact NE-OD2 2.87Å; R177-D261 PolarHBondContact NE-OD2 3Å; R177-D261 IonicContact NH2-OD1 3.37Å; R177-D261 PolarHBondContact NH2-OD1 2.99Å; R177-D261 IonicContact NH2-OD2 2.68Å; R177-D261 PolarHBondContact NH2-OD2 2.92Å
178S89.3Confident95.6Very high125 Ų12558.7 Ų58.787%0.87432%0.321SS*.THydrogen-bonded Turntrans-60-22.9178.9-49.80000114.3N180S178-N180 VanDerWaalsContact C-N 3.26Å
179D93.1Very high95.5Very high101 Ų10160.9 Ų60.954%0.5434%0.335SS..THydrogen-bonded Turntrans-86.69.6174.566.2-5.2000113.2R177 T181R177-D179 WeakPolarHBondContact CB-OD1 3.24Å; R177-D179 PolarHBondContact O-N 2.81Å; R177-D179 VanDerWaalsContact O-N 3.13Å; D179-T181 PolarHBondContact O-N 3.28Å; D179-T181 VanDerWaalsContact OD1-CB 3.28Å; D179-T181 WeakPolarHBondContact OD1-CB 3.4Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.2Å; D179-T181 PolarHBondContact OD1-N 3.04Å; D179-T181 PolarHBondContact OD1-OG1 3.39Å; D179-T181 WeakPolarHBondContact OD2-CG2 3.18Å; D179-T181 PolarHBondContact OD2-OG1 2.02Å
180N91.7Very high95.4Very high134 Ų13468.4 Ų68.472%0.71737%0.368SS*.SBendtrans64.612.8-172.6-61.9-56000115.3R177 S178R177-N180 WeakPolarHBondContact O-CA 3.41Å; R177-N180 PolarHBondContact O-N 2.84Å; S178-N180 VanDerWaalsContact C-N 3.26Å
181T94.5Very high95.4Very high53 Ų5367.7 Ų67.733%0.32537%0.374SS..  trans-73.6133.5171.462.30000111R177 D179R177-T181 WeakPolarHBondContact CB-OG1 3.31Å; R177-T181 WeakPolarHBondContact CD-OG1 3.41Å; R177-T181 PolarHBondContact N-O 3.23Å; R177-T181 PolarHBondContact NH1-OG1 2.94Å; D179-T181 PolarHBondContact O-N 3.28Å; D179-T181 VanDerWaalsContact OD1-CB 3.28Å; D179-T181 WeakPolarHBondContact OD1-CB 3.4Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.2Å; D179-T181 PolarHBondContact OD1-N 3.04Å; D179-T181 PolarHBondContact OD1-OG1 3.39Å; D179-T181 WeakPolarHBondContact OD2-CG2 3.18Å; D179-T181 PolarHBondContact OD2-OG1 2.02Å
182K95.7Very high95.4Very high117 Ų11767.2 Ų67.251%0.50937%0.372SS..EExtended strand (participates in β ladder)trans-92.2124178.2-72.3-166.6171.2-164.50110.3T174 Y175 I176 E272T174-K182 HydrophobicContact CG2-CB 3.72Å; T174-K182 HydrophobicContact CG2-CD 4.23Å; T174-K182 HydrophobicContact CG2-CG 4.18Å; Y175-K182 WeakPolarHBondContact O-CA 3.3Å; I176-K182 HydrophobicContact CG1-CG 4.27Å; K182-E272 IonicContact NZ-OE1 2.86Å; K182-E272 PolarHBondContact NZ-OE1 2.85Å; K182-E272 IonicContact NZ-OE2 2.76Å; K182-E272 PolarHBondContact NZ-OE2 3.32Å
183V95.8Very high95.4Very high32 Ų3263.7 Ų63.719%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-121122.4179-1770000109.6T174 Y175 R177 V185 F262T174-V183 CarbonylContact C-O 3.57Å; T174-V183 WeakPolarHBondContact CA-O 3.46Å; Y175-V183 PolarHBondContact N-O 3.38Å; Y175-V183 PolarHBondContact O-N 3.47Å; R177-V183 HydrophobicContact CG-CG2 4.1Å; V183-V185 PolarHBondContact O-N 3.04Å; V183-F262 HydrophobicContact CG1-CE2 4.12Å; V183-F262 HydrophobicContact CG1-CZ 4.1Å
184N96.1Very high95.4Very high104 Ų10470.9 Ų70.956%0.55638%0.383SS*.EExtended strand (participates in β ladder)trans-68.3125.5176.5-70-12.6000110.3T174 T186T174-N184 PolarHBondContact OG1-OD1 2.86Å; N184-T186 PolarHBondContact O-N 3.47Å
185V96.6Very high95.3Very high9 Ų974.9 Ų74.96%0.05541%0.409CS..  trans-73.1111.3171.9-175.50000107.9L173 V183 T187 V256 F262 L266 Y271L173-V185 HydrophobicContact CB-CB 4.07Å; L173-V185 HydrophobicContact CB-CG2 4.24Å; L173-V185 HydrophobicContact CD2-CB 3.93Å; L173-V185 HydrophobicContact CD2-CG1 4.03Å; L173-V185 HydrophobicContact CD2-CG2 3.79Å; L173-V185 HydrophobicContact CG-CB 4.02Å; L173-V185 HydrophobicContact CG-CG2 3.71Å; L173-V185 WeakPolarHBondContact O-CB 3.4Å; L173-V185 PolarHBondContact O-N 2.61Å; V183-V185 PolarHBondContact O-N 3.04Å; V185-T187 HydrophobicContact CG1-CG2 4.5Å; V185-T187 PolarHBondContact O-N 3.44Å; V185-V256 HydrophobicContact CG1-CG1 3.74Å; V185-V256 HydrophobicContact CG1-CG2 4.16Å; V185-F262 HydrophobicContact CB-CE2 4.29Å; V185-F262 HydrophobicContact CB-CZ 4.22Å; V185-F262 HydrophobicContact CG1-CD2 4.41Å; V185-F262 HydrophobicContact CG1-CE2 4.36Å; V185-F262 HydrophobicContact CG1-CZ 4.46Å; V185-F262 HydrophobicContact CG2-CE1 3.88Å; V185-F262 HydrophobicContact CG2-CE2 4.2Å; V185-F262 HydrophobicContact CG2-CZ 3.62Å; V185-L266 HydrophobicContact CG1-CD2 3.89Å; V185-L266 HydrophobicContact CG2-CD2 4.39Å; V185-Y271 HydrophobicContact CG2-CD1 4.09Å; V185-Y271 HydrophobicContact CG2-CE1 3.85Å
186T96.2Very high95.3Very high87 Ų8776.5 Ų76.553%0.53442%0.423SS..  trans-75.1123.5-180-60.10000109.8N184 V257N184-T186 PolarHBondContact O-N 3.47Å; T186-V257 HydrophobicContact CG2-CB 4.2Å; T186-V257 HydrophobicContact CG2-CG2 3.97Å; T186-V257 PolarHBondContact O-N 3.2Å
187T96.6Very high95.3Very high53 Ų5375.2 Ų75.233%0.32542%0.417SS..EExtended strand (participates in β ladder)trans-119.6145.7178.1620000111.3L109 V185 A254 I255 V256L109-T187 HydrophobicContact CD1-CG2 4.41Å; V185-T187 HydrophobicContact CG1-CG2 4.5Å; V185-T187 PolarHBondContact O-N 3.44Å; T187-A254 HydrophobicContact CG2-CB 4.45Å; T187-I255 CarbonylContact C-O 3.52Å; T187-I255 VanDerWaalsContact CA-O 3.27Å; T187-I255 WeakPolarHBondContact CA-O 3.28Å; T187-V256 HydrophobicContact CG2-CG2 4.4Å
188T96.2Very high95.5Very high45 Ų4572.2 Ų72.228%0.27641%0.408SS..EExtended strand (participates in β ladder)trans-110.2137.4173.2178.90000110.9K190 A254 I255 V257T188-K190 PolarHBondContact OG1-N 2.82Å; T188-K190 VanDerWaalsContact OG1-N 3.13Å; T188-A254 CarbonylContact O-C 3.49Å; T188-A254 VanDerWaalsContact O-CA 3.28Å; T188-A254 WeakPolarHBondContact O-CA 3.46Å; T188-A254 WeakPolarHBondContact O-CB 3.29Å; T188-I255 HydrophobicContact CG2-CB 3.97Å; T188-I255 PolarHBondContact N-O 3.2Å; T188-I255 PolarHBondContact O-N 3.24Å; T188-V257 HydrophobicContact CG2-CG2 4.1Å
189T95.2Very high95.7Very high85 Ų8571.4 Ų71.452%0.52140%0.395SS..  trans-94.30.7171.153.90000112.6I192 A254T189-I192 WeakPolarHBondContact O-CD1 3.47Å; T189-I192 WeakPolarHBondContact O-CG1 3.41Å; T189-A254 HydrophobicContact CG2-CB 4.43Å
190K95.1Very high95.7Very high163 Ų16376.8 Ų76.871%0.70941%0.407SS*.THydrogen-bonded Turntrans-84.4141.6172.6-63.5-174.6176.5-178.20110.7T188 E235T188-K190 PolarHBondContact OG1-N 2.82Å; T188-K190 VanDerWaalsContact OG1-N 3.13Å; K190-E235 WeakPolarHBondContact CA-OE1 3.2Å
191G95.6Very high95.9Very high52 Ų5275.7 Ų75.754%0.53640%0.396SS..THydrogen-bonded Turntrans76.219.5179.600000114.5E235G191-E235 WeakPolarHBondContact CA-OE2 3.2Å; G191-E235 VanDerWaalsContact N-CD 3.26Å; G191-E235 PolarHBondContact N-OE1 2.96Å; G191-E235 PolarHBondContact N-OE2 2.95Å
192I97.5Very high95.9Very high11 Ų1173.7 Ų73.76%0.05638%0.383CS..  trans-88.2-24.5175.966177.7000112.6T189 E235 V239 L252 N253 I255T189-I192 WeakPolarHBondContact O-CD1 3.47Å; T189-I192 WeakPolarHBondContact O-CG1 3.41Å; I192-E235 HydrophobicContact CD1-CB 3.98Å; I192-E235 HydrophobicContact CG1-CB 3.52Å; I192-E235 PolarHBondContact N-OE2 3.31Å; I192-V239 HydrophobicContact CB-CG2 4.39Å; I192-V239 HydrophobicContact CD1-CG2 4.23Å; I192-V239 HydrophobicContact CG1-CG2 3.93Å; I192-V239 WeakPolarHBondContact O-CG2 3.35Å; I192-L252 HydrophobicContact CB-CB 4.49Å; I192-L252 HydrophobicContact CB-CD2 3.76Å; I192-L252 HydrophobicContact CB-CG 3.88Å; I192-L252 HydrophobicContact CG2-CD2 3.96Å; I192-L252 HydrophobicContact CG2-CG 3.93Å; I192-N253 WeakPolarHBondContact CD1-O 3.43Å; I192-I255 HydrophobicContact CG2-CD1 4.23Å; I192-I255 HydrophobicContact CG2-CG1 4.14Å
193A97.5Very high95.8Very high11 Ų1168.7 Ų68.79%0.09136%0.364CS..SBendtrans-88.9155.9176.800000111.5V198 E235 I238 V239A193-V198 HydrophobicContact CB-CG2 3.69Å; A193-E235 HydrophobicContact CB-CB 3.92Å; A193-E235 HydrophobicContact CB-CG 3.96Å; A193-E235 PolarHBondContact N-OE2 2.63Å; A193-I238 HydrophobicContact CB-CB 3.95Å; A193-I238 HydrophobicContact CB-CD1 4.44Å; A193-I238 HydrophobicContact CB-CG2 3.64Å; A193-V239 HydrophobicContact CB-CG2 4.27Å
194W96.6Very high95.7Very high156 Ų15671.3 Ų71.359%0.59138%0.381SS*.  trans-66.5134174.4-7279000110S196 D197 V198 R242W194-S196 PolarHBondContact O-N 3.03Å; W194-S196 VanDerWaalsContact O-N 3.14Å; W194-D197 HydrophobicContact CB-CB 4.38Å; W194-D197 PolarHBondContact O-N 2.93Å; W194-V198 PolarHBondContact O-N 2.82Å; W194-V198 VanDerWaalsContact O-N 3.1Å; W194-R242 VanDerWaalsContact CG-NH2 3.33Å
195P96.7Very high95.5Very high90 Ų9067.5 Ų67.558%0.58436%0.36SS*.Hα-helixtrans-52.9-39.9178.1-28.334.7000112.5D197 V198 D199P195-D197 VanDerWaalsContact C-N 3.31Å; P195-D197 PolarHBondContact O-N 3.27Å; P195-V198 PolarHBondContact O-N 2.88Å; P195-D199 VanDerWaalsContact O-CB 3.29Å; P195-D199 WeakPolarHBondContact O-CB 3.49Å; P195-D199 VanDerWaalsContact O-CG 3.24Å; P195-D199 PolarHBondContact O-N 2.99Å
196S96.6Very high95.2Very high57 Ų5771 Ų7140%0.39938%0.379SS..Hα-helixtrans-62.1-33176.464.50000114.3W194 R200W194-S196 PolarHBondContact O-N 3.03Å; W194-S196 VanDerWaalsContact O-N 3.14Å; S196-R200 VanDerWaalsContact O-CB 3.32Å; S196-R200 WeakPolarHBondContact O-CB 3.32Å; S196-R200 PolarHBondContact O-N 2.83Å; S196-R200 VanDerWaalsContact O-N 3.14Å
197D96.6Very high94.9Very high5 Ų570.5 Ų70.53%0.02738%0.383CS..Hα-helixtrans-74.7-45.4177.1-71.6-8000109.8W194 P195 D199 K201 F202 I238 R242W194-D197 HydrophobicContact CB-CB 4.38Å; W194-D197 PolarHBondContact O-N 2.93Å; P195-D197 VanDerWaalsContact C-N 3.31Å; P195-D197 PolarHBondContact O-N 3.27Å; D197-D199 PolarHBondContact O-N 2.92Å; D197-K201 WeakPolarHBondContact O-CB 3.48Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 WeakPolarHBondContact OD1-CD 3.47Å; D197-K201 WeakPolarHBondContact OD1-CE 3.43Å; D197-K201 IonicContact OD1-NZ 2.98Å; D197-K201 PolarHBondContact OD1-NZ 2.82Å; D197-F202 PolarHBondContact O-N 2.99Å; D197-I238 HydrophobicContact CB-CG2 3.56Å; D197-R242 IonicContact OD1-NH2 3.04Å; D197-R242 PolarHBondContact OD1-NH2 3.24Å; D197-R242 IonicContact OD2-CZ 3.08Å; D197-R242 IonicContact OD2-NE 3.64Å; D197-R242 PolarHBondContact OD2-NE 3.31Å; D197-R242 IonicContact OD2-NH2 3.86Å; D197-R242 PolarHBondContact OD2-NH2 3.06Å
198V95.6Very high94.6Very high26 Ų2673.5 Ų73.516%0.15840%0.397CS..Hα-helixtrans-58.3-48.3176178.10000110.4A193 W194 P195 K232 E235 I238A193-V198 HydrophobicContact CB-CG2 3.69Å; W194-V198 PolarHBondContact O-N 2.82Å; W194-V198 VanDerWaalsContact O-N 3.1Å; P195-V198 PolarHBondContact O-N 2.88Å; V198-K232 WeakPolarHBondContact O-CE 3.33Å; V198-K232 PolarHBondContact O-NZ 2.87Å; V198-E235 HydrophobicContact CG2-CG 4.47Å; V198-I238 HydrophobicContact CG2-CD1 3.89Å
199D94.2Very high94.3Very high109 Ų10971.5 Ų71.558%0.58339%0.386SS*.Hα-helixtrans-77.1-36.9-172-67.4-25.6000113.3P195 D197 K232P195-D199 VanDerWaalsContact O-CB 3.29Å; P195-D199 WeakPolarHBondContact O-CB 3.49Å; P195-D199 VanDerWaalsContact O-CG 3.24Å; P195-D199 PolarHBondContact O-N 2.99Å; D197-D199 PolarHBondContact O-N 2.92Å; D199-K232 PolarHBondContact O-NZ 2.97Å
200R93.9Very high94.1Very high213 Ų21369.5 Ų69.580%0.80437%0.371SS*.Hα-helixtrans-114-26.1-169-58.6-175.5131.5-178.3-2.8115.9S196S196-R200 VanDerWaalsContact O-CB 3.32Å; S196-R200 WeakPolarHBondContact O-CB 3.32Å; S196-R200 PolarHBondContact O-N 2.83Å; S196-R200 VanDerWaalsContact O-N 3.14Å
201K94.6Very high93.8Very high112 Ų11266.6 Ų66.649%0.48736%0.364SS..THydrogen-bonded Turntrans-105.9-22.3-170.7-64.3-173.7-172.91570114.1D197D197-K201 WeakPolarHBondContact O-CB 3.48Å; D197-K201 PolarHBondContact O-N 3.33Å; D197-K201 WeakPolarHBondContact OD1-CD 3.47Å; D197-K201 WeakPolarHBondContact OD1-CE 3.43Å; D197-K201 IonicContact OD1-NZ 2.98Å; D197-K201 PolarHBondContact OD1-NZ 2.82Å
202F95.8Very high93.5Very high10 Ų1069.7 Ų69.74%0.04437%0.368CS..  trans-120.4124.4179.2-68-99.9000109.4L132 D197 F231 K232 L237 I238 M241L132-F202 HydrophobicContact CB-CD1 4.2Å; L132-F202 HydrophobicContact CB-CE1 4.21Å; L132-F202 HydrophobicContact CD1-CE1 4.12Å; L132-F202 HydrophobicContact CD1-CZ 4.21Å; L132-F202 HydrophobicContact CD2-CD1 4.44Å; L132-F202 HydrophobicContact CD2-CE1 3.92Å; L132-F202 HydrophobicContact CG-CE1 4.29Å; L132-F202 WeakPolarHBondContact O-CA 3.49Å; D197-F202 PolarHBondContact O-N 2.99Å; F202-F231 HydrophobicContact CD1-CB 4.26Å; F202-K232 WeakPolarHBondContact O-CD 3.29Å; F202-L237 HydrophobicContact CE1-CG 4.49Å; F202-I238 HydrophobicContact CB-CD1 4.01Å; F202-I238 HydrophobicContact CB-CG1 4.25Å; F202-I238 HydrophobicContact CD1-CD1 4.48Å; F202-I238 HydrophobicContact CD1-CG1 3.8Å; F202-I238 HydrophobicContact CD2-CB 4.28Å; F202-I238 HydrophobicContact CD2-CD1 4Å; F202-I238 HydrophobicContact CD2-CG1 3.62Å; F202-I238 HydrophobicContact CD2-CG2 3.94Å; F202-I238 HydrophobicContact CE1-CG1 3.99Å; F202-I238 HydrophobicContact CE2-CB 4.1Å; F202-I238 HydrophobicContact CE2-CG1 3.86Å; F202-I238 HydrophobicContact CE2-CG2 3.72Å; F202-I238 HydrophobicContact CG-CD1 3.92Å; F202-I238 HydrophobicContact CG-CG1 3.61Å; F202-I238 HydrophobicContact CZ-CB 4.3Å; F202-I238 HydrophobicContact CZ-CG1 4.04Å; F202-I238 HydrophobicContact CZ-CG2 4.35Å; F202-M241 HydrophobicContact CE1-CB 4.44Å; F202-M241 HydrophobicContact CE1-CG 4.19Å; F202-M241 HydrophobicContact CZ-CB 3.75Å; F202-M241 HydrophobicContact CZ-CG 4Å
203G93.3Very high93.2Very high12 Ų1270.7 Ų70.712%0.12437%0.374CS..  trans-104.4176.7-174.800000112.9L132 L133 F231 K232L132-G203 PolarHBondContact O-N 2.98Å; L133-G203 WeakPolarHBondContact O-CA 3.07Å; G203-F231 WeakPolarHBondContact O-CB 3.36Å; G203-K232 WeakPolarHBondContact O-CB 3.31Å; G203-K232 PolarHBondContact O-N 3.28Å
204T93.2Very high93.1Very high88 Ų8872.9 Ų72.954%0.5438%0.384SS..BIsolated β-bridgetrans-80.6125.8170.9-64.20000108.5N206 N229T204-N206 PolarHBondContact O-N 2.88Å; T204-N229 PolarHBondContact OG1-ND2 3.48Å
205L92.3Very high93.1Very high23 Ų2368.9 Ų68.912%0.1237%0.371CS..PPolyproline II helixtrans-63.3118.4-178.9-179.657.4000111.7L157 A209 L210 I223 P230 F231L157-L205 HydrophobicContact CD2-CD1 4.03Å; L157-L205 HydrophobicContact CD2-CD2 4.22Å; L205-A209 HydrophobicContact CD1-CB 3.85Å; L205-L210 HydrophobicContact CD2-CB 4.23Å; L205-L210 HydrophobicContact CD2-CD1 3.72Å; L205-L210 HydrophobicContact CD2-CG 4.38Å; L205-L210 HydrophobicContact CG-CB 4.43Å; L205-I223 HydrophobicContact CD2-CG2 4.1Å; L205-P230 HydrophobicContact CB-CB 4.18Å; L205-P230 HydrophobicContact CD2-CB 3.88Å; L205-P230 HydrophobicContact CD2-CG 4.29Å; L205-F231 HydrophobicContact CB-CD2 4.26Å; L205-F231 HydrophobicContact CD1-CD2 4.26Å; L205-F231 HydrophobicContact CD1-CE2 3.9Å
206N90.7Very high93.1Very high84 Ų8464.6 Ų64.645%0.44934%0.343SS..PPolyproline II helixtrans-69.7137.4173.3-172.3-17.5000110.1G134 T204 N208 A209 L210G134-N206 VanDerWaalsContact O-CB 3.27Å; G134-N206 WeakPolarHBondContact O-CB 3.27Å; G134-N206 PolarHBondContact O-N 2.69Å; G134-N206 VanDerWaalsContact O-N 3.1Å; T204-N206 PolarHBondContact O-N 2.88Å; N206-N208 PolarHBondContact O-N 3.3Å; N206-N208 PolarHBondContact OD1-N 2.87Å; N206-N208 VanDerWaalsContact OD1-N 3.15Å; N206-A209 HydrophobicContact CB-CB 4.13Å; N206-A209 WeakPolarHBondContact O-CA 3.33Å; N206-A209 WeakPolarHBondContact O-CB 3.48Å; N206-A209 PolarHBondContact O-N 3.14Å; N206-L210 PolarHBondContact O-N 2.8Å
207A89.8Confident93.1Very high76 Ų7664.7 Ų64.763%0.62834%0.342SS*.Hα-helixtrans-54.5-37.3176.500000112.4A209 L210 N211A207-A209 VanDerWaalsContact C-N 3.32Å; A207-A209 PolarHBondContact O-N 3.27Å; A207-L210 WeakPolarHBondContact O-CB 3.04Å; A207-L210 PolarHBondContact O-N 3.1Å; A207-N211 PolarHBondContact O-N 3.3Å
208N90.1Very high93Very high116 Ų11669.3 Ų69.362%0.6237%0.367SS*.Hα-helixtrans-66.1-34.6176.2-68.4-12.7000112.5N206 L210 N211N206-N208 PolarHBondContact O-N 3.3Å; N206-N208 PolarHBondContact OD1-N 2.87Å; N206-N208 VanDerWaalsContact OD1-N 3.15Å; N208-L210 PolarHBondContact O-N 3.39Å; N208-N211 PolarHBondContact O-N 3.26Å
209A89.9Confident93.1Very high3 Ų368.2 Ų68.23%0.02536%0.36CS..Hα-helixtrans-70.1-22.817800000112.6G134 L205 N206 A207 T213G134-A209 WeakPolarHBondContact O-CB 3.28Å; L205-A209 HydrophobicContact CD1-CB 3.85Å; N206-A209 HydrophobicContact CB-CB 4.13Å; N206-A209 WeakPolarHBondContact O-CA 3.33Å; N206-A209 WeakPolarHBondContact O-CB 3.48Å; N206-A209 PolarHBondContact O-N 3.14Å; A207-A209 VanDerWaalsContact C-N 3.32Å; A207-A209 PolarHBondContact O-N 3.27Å; A209-T213 VanDerWaalsContact O-CG2 3.27Å; A209-T213 WeakPolarHBondContact O-CG2 3.15Å
210L90.4Very high93Very high43 Ų4366.6 Ų66.623%0.22536%0.356CS..Hα-helixtrans-85-27.1178.7-173.565.1000113.3L157 L205 N206 A207 N208 N212 T213 I223 Q224L157-L210 HydrophobicContact CD2-CD1 3.86Å; L205-L210 HydrophobicContact CD2-CB 4.23Å; L205-L210 HydrophobicContact CD2-CD1 3.72Å; L205-L210 HydrophobicContact CD2-CG 4.38Å; L205-L210 HydrophobicContact CG-CB 4.43Å; N206-L210 PolarHBondContact O-N 2.8Å; A207-L210 WeakPolarHBondContact O-CB 3.04Å; A207-L210 PolarHBondContact O-N 3.1Å; N208-L210 PolarHBondContact O-N 3.39Å; L210-N212 PolarHBondContact O-N 3.32Å; L210-T213 PolarHBondContact O-N 3.08Å; L210-T213 PolarHBondContact O-OG1 3.14Å; L210-I223 HydrophobicContact CD1-CG2 4.35Å; L210-Q224 HydrophobicContact CD1-CG 3.66Å; L210-Q224 HydrophobicContact CD2-CG 3.46Å; L210-Q224 VanDerWaalsContact CD2-CG 3.46Å; L210-Q224 HydrophobicContact CG-CG 4.14Å
211N88.5Confident92.9Very high102 Ų10261.8 Ų61.855%0.54534%0.342SS..THydrogen-bonded Turntrans-60.4136.1-174.1-164.310.8000111.5A207 N208 T213A207-N211 PolarHBondContact O-N 3.3Å; N208-N211 PolarHBondContact O-N 3.26Å; N211-T213 PolarHBondContact O-N 3.46Å; N211-T213 VanDerWaalsContact O-N 3.16Å
212N89.2Confident92.9Very high117 Ų11758.3 Ų58.363%0.62633%0.331SS*.THydrogen-bonded Turntrans57.220.8-178.8-63.2-35.3000116.3P155 L210P155-N212 WeakPolarHBondContact CD-O 3.29Å; L210-N212 PolarHBondContact O-N 3.32Å
213T93Very high92.8Very high31 Ų3157.9 Ų57.919%0.1933%0.329CS..  trans-90.2158.717563.20000112.8P155 L157 A209 L210 N211P155-T213 HydrophobicContact CG-CG2 4.12Å; P155-T213 CarbonylContact O-C 3.54Å; P155-T213 VanDerWaalsContact O-CA 3.32Å; P155-T213 WeakPolarHBondContact O-CA 3.5Å; L157-T213 HydrophobicContact CB-CG2 3.9Å; L157-T213 HydrophobicContact CD2-CG2 4.07Å; A209-T213 VanDerWaalsContact O-CG2 3.27Å; A209-T213 WeakPolarHBondContact O-CG2 3.15Å; L210-T213 PolarHBondContact O-N 3.08Å; L210-T213 PolarHBondContact O-OG1 3.14Å; N211-T213 PolarHBondContact O-N 3.46Å; N211-T213 VanDerWaalsContact O-N 3.16Å
214I95Very high92.7Very high57 Ų5761.1 Ų61.129%0.29234%0.341SS..BIsolated β-bridgetrans-121149.9172.1-166.8166.9000110.4I151 K154 P155 I156 L157I151-I214 HydrophobicContact CB-CD1 4.44Å; I151-I214 HydrophobicContact CB-CG2 4.31Å; I151-I214 HydrophobicContact CD1-CD1 4.42Å; I151-I214 HydrophobicContact CD1-CG2 4.35Å; I151-I214 HydrophobicContact CG1-CG2 4.4Å; K154-I214 HydrophobicContact CB-CB 4.39Å; K154-I214 HydrophobicContact CB-CG2 4.26Å; P155-I214 PolarHBondContact O-N 2.89Å; I156-I214 CarbonylContact C-O 3.51Å; I156-I214 WeakPolarHBondContact CA-O 3.44Å; I156-I214 HydrophobicContact CG1-CG2 3.88Å; L157-I214 PolarHBondContact N-O 3.23Å
215K95.9Very high92.7Very high72 Ų7261.1 Ų61.131%0.31334%0.341SS..  trans-64.9155.6173.369.3177-177.269.40111.1W219 P222K215-W219 HydrophobicContact CB-CB 4.5Å; K215-W219 HydrophobicContact CD-CB 4.43Å; K215-W219 WeakPolarHBondContact CE-O 3.28Å; K215-W219 PolarHBondContact NZ-O 3.5Å; K215-P222 HydrophobicContact CB-CB 4.09Å
216P97.2Very high92.7Very high0 Ų063.5 Ų63.50%035%0.348CS..  trans-56.9146.7169.4-24.135.2000111.6I156 L157 P158 N164 N218 W219I156-P216 HydrophobicContact CG2-CB 4.01Å; I156-P216 HydrophobicContact CG2-CG 3.77Å; L157-P216 WeakPolarHBondContact O-CD 3.3Å; P158-P216 WeakPolarHBondContact O-CG 3.39Å; N164-P216 HydrophobicContact CB-CB 4.17Å; P216-N218 VanDerWaalsContact C-N 3.27Å; P216-N218 PolarHBondContact O-N 3.13Å; P216-N218 VanDerWaalsContact O-N 3.17Å; P216-W219 HydrophobicContact CB-CB 4.42Å; P216-W219 HydrophobicContact CB-CD2 4.24Å; P216-W219 HydrophobicContact CB-CG 3.83Å; P216-W219 HydrophobicContact CG-CD2 3.68Å; P216-W219 HydrophobicContact CG-CE3 4.25Å; P216-W219 HydrophobicContact CG-CG 3.83Å; P216-W219 HydrophobicContact CG-CZ2 4.24Å; P216-W219 PolarHBondContact O-N 3.11Å; P216-W219 VanDerWaalsContact O-N 3.07Å
217P95.8Very high92.8Very high59 Ų5960.7 Ų60.738%0.38334%0.335SS..THydrogen-bonded Turntrans-48-46.9-177.1-28.229.4000114Y148 I151 N164 W219Y148-P217 HydrophobicContact CD1-CG 4.41Å; I151-P217 HydrophobicContact CD1-CG 3.85Å; N164-P217 VanDerWaalsContact OD1-CD 3.26Å; N164-P217 WeakPolarHBondContact OD1-CD 3.06Å; P217-W219 VanDerWaalsContact C-N 3.33Å; P217-W219 PolarHBondContact O-N 2.86Å
218N95.5Very high92.8Very high103 Ų10362.9 Ų62.955%0.55135%0.346SS*.THydrogen-bonded Turntrans-88.62.8-172.7-65.9-14.5000113.7N164 P216N164-N218 PolarHBondContact ND2-ND2 2.96Å; N164-N218 VanDerWaalsContact ND2-ND2 3.18Å; N164-N218 WeakPolarHBondContact O-CB 3.19Å; N164-N218 WeakPolarHBondContact OD1-CB 3.16Å; N164-N218 PolarHBondContact OD1-N 2.78Å; P216-N218 VanDerWaalsContact C-N 3.27Å; P216-N218 PolarHBondContact O-N 3.13Å; P216-N218 VanDerWaalsContact O-N 3.17Å
219W96.1Very high92.8Very high2 Ų259.3 Ų59.31%0.00833%0.327CS..  trans-80.1134.7177.1-78.227.2000110.5P158 A163 I166 K215 P216 P217 Q221 I223 L237P158-W219 HydrophobicContact CG-CH2 3.49Å; P158-W219 VanDerWaalsContact CG-CH2 3.49Å; P158-W219 HydrophobicContact CG-CZ2 3.68Å; P158-W219 HydrophobicContact CG-CZ3 4.35Å; A163-W219 HydrophobicContact CB-CZ2 4.36Å; A163-W219 PolarHBondContact O-NE1 2.04Å; I166-W219 HydrophobicContact CG2-CG 4.41Å; I166-W219 HydrophobicContact CG2-CZ2 4.37Å; K215-W219 HydrophobicContact CB-CB 4.5Å; K215-W219 HydrophobicContact CD-CB 4.43Å; K215-W219 WeakPolarHBondContact CE-O 3.28Å; K215-W219 PolarHBondContact NZ-O 3.5Å; P216-W219 HydrophobicContact CB-CB 4.42Å; P216-W219 HydrophobicContact CB-CD2 4.24Å; P216-W219 HydrophobicContact CB-CG 3.83Å; P216-W219 HydrophobicContact CG-CD2 3.68Å; P216-W219 HydrophobicContact CG-CE3 4.25Å; P216-W219 HydrophobicContact CG-CG 3.83Å; P216-W219 HydrophobicContact CG-CZ2 4.24Å; P216-W219 PolarHBondContact O-N 3.11Å; P216-W219 VanDerWaalsContact O-N 3.07Å; P217-W219 VanDerWaalsContact C-N 3.33Å; P217-W219 PolarHBondContact O-N 2.86Å; W219-Q221 VanDerWaalsContact C-N 3.29Å; W219-Q221 PolarHBondContact O-N 2.93Å; W219-I223 HydrophobicContact CH2-CD1 3.9Å; W219-I223 HydrophobicContact CH2-CG1 4.48Å; W219-I223 HydrophobicContact CZ3-CB 3.83Å; W219-I223 HydrophobicContact CZ3-CD1 3.79Å; W219-I223 HydrophobicContact CZ3-CG1 4.18Å; W219-L237 HydrophobicContact CH2-CD1 4.14Å; W219-L237 HydrophobicContact CH2-CD2 4.25Å; W219-L237 HydrophobicContact CZ2-CD1 3.96Å
220P92.1Very high92.9Very high76 Ų7660.1 Ų60.149%0.49433%0.332SS..SBendtrans-67.7-33.8175.327.1-33.5000111.6
221Q93.6Very high93Very high111 Ų11158 Ų5852%0.51932%0.321SS..SBendtrans-141.8152.8-173.4-63.8-62.2-21.700111.1W219 T225W219-Q221 VanDerWaalsContact C-N 3.29Å; W219-Q221 PolarHBondContact O-N 2.93Å; Q221-T225 VanDerWaalsContact CB-OG1 3.22Å; Q221-T225 WeakPolarHBondContact CB-OG1 3.3Å
222P94.3Very high93.3Very high39 Ų3955.6 Ų55.625%0.25331%0.306SS..  trans-70.9158.8179.533.2-37.7000112K215 Q224 T225K215-P222 HydrophobicContact CB-CB 4.09Å; P222-Q224 PolarHBondContact O-N 2.96Å; P222-T225 HydrophobicContact CG-CG2 4.07Å; P222-T225 PolarHBondContact O-N 2.89Å; P222-T225 PolarHBondContact O-OG1 3.36Å
223I93.9Very high93.6Very high1 Ų152.9 Ų52.91%0.00529%0.294CS..G310 helixtrans-55-31.5-171.7-167.739.9000113.7L157 L205 L210 W219 T225 R226 P230 F231 L237L157-I223 HydrophobicContact CD2-CG2 4.1Å; L157-I223 HydrophobicContact CG-CG2 4.39Å; L205-I223 HydrophobicContact CD2-CG2 4.1Å; L210-I223 HydrophobicContact CD1-CG2 4.35Å; W219-I223 HydrophobicContact CH2-CD1 3.9Å; W219-I223 HydrophobicContact CH2-CG1 4.48Å; W219-I223 HydrophobicContact CZ3-CB 3.83Å; W219-I223 HydrophobicContact CZ3-CD1 3.79Å; W219-I223 HydrophobicContact CZ3-CG1 4.18Å; I223-T225 PolarHBondContact O-N 3.28Å; I223-R226 PolarHBondContact O-N 2.79Å; I223-P230 HydrophobicContact CD1-CB 4.43Å; I223-P230 HydrophobicContact CG1-CB 3.94Å; I223-F231 HydrophobicContact CD1-CD1 4.11Å; I223-F231 HydrophobicContact CD1-CE1 4.06Å; I223-F231 HydrophobicContact CG1-CD1 4.05Å; I223-F231 HydrophobicContact CG1-CE1 3.7Å; I223-F231 HydrophobicContact CG1-CZ 3.97Å; I223-L237 HydrophobicContact CD1-CD2 3.91Å
224Q91.5Very high93.7Very high80 Ų8051.8 Ų51.837%0.37429%0.286SS..G310 helixtrans-62-27.6178.6-57.393.8-59.100114.4L210 P222L210-Q224 HydrophobicContact CD1-CG 3.66Å; L210-Q224 HydrophobicContact CD2-CG 3.46Å; L210-Q224 VanDerWaalsContact CD2-CG 3.46Å; L210-Q224 HydrophobicContact CG-CG 4.14Å; P222-Q224 PolarHBondContact O-N 2.96Å
225T92.8Very high93.8Very high88 Ų8850.5 Ų50.554%0.5428%0.279SS..G310 helixtrans-96.5-7-174.660.70000112.7Q221 P222 I223Q221-T225 VanDerWaalsContact CB-OG1 3.22Å; Q221-T225 WeakPolarHBondContact CB-OG1 3.3Å; P222-T225 HydrophobicContact CG-CG2 4.07Å; P222-T225 PolarHBondContact O-N 2.89Å; P222-T225 PolarHBondContact O-OG1 3.36Å; I223-T225 PolarHBondContact O-N 3.28Å
226R92.4Very high93.8Very high73 Ų7349.1 Ų49.128%0.27528%0.281SS..THydrogen-bonded Turntrans-82.7-31-175.6-67.7178.35276.914.3113.1I223 D234I223-R226 PolarHBondContact O-N 2.79Å; R226-D234 IonicContact CZ-OD2 2.69Å; R226-D234 IonicContact NE-OD2 3.19Å; R226-D234 PolarHBondContact NE-OD2 2.85Å; R226-D234 IonicContact NH2-OD1 3.51Å; R226-D234 PolarHBondContact NH2-OD1 2.73Å; R226-D234 IonicContact NH2-OD2 2.88Å; R226-D234 PolarHBondContact NH2-OD2 3.23Å
227S91.6Very high93.8Very high25 Ų2549.1 Ų49.118%0.17528%0.281CS..SBendtrans-153.7164.6178.968.30000111.5N229 T233S227-N229 VanDerWaalsContact C-N 3.34Å; S227-N229 PolarHBondContact O-N 2.85Å; S227-N229 PolarHBondContact OG-O 3.19Å; S227-N229 VanDerWaalsContact OG-O 3.08Å; S227-T233 WeakPolarHBondContact CB-OG1 3.17Å; S227-T233 PolarHBondContact OG-OG1 2.76Å
228S90.6Very high93.9Very high123 Ų12346.3 Ų46.386%0.8626%0.263SS*.SBendtrans-66.7-33.1-178.753.90000113.4
229N90.9Very high94.1Very high41 Ų4142.2 Ų42.222%0.21924%0.242CC..SBendtrans-124.599.9169.5-174.8-10.4000108.5T204 S227 K232 T233T204-N229 PolarHBondContact OG1-ND2 3.48Å; S227-N229 VanDerWaalsContact C-N 3.34Å; S227-N229 PolarHBondContact O-N 2.85Å; S227-N229 PolarHBondContact OG-O 3.19Å; S227-N229 VanDerWaalsContact OG-O 3.08Å; N229-K232 HydrophobicContact CB-CB 4.39Å; N229-K232 PolarHBondContact O-N 2.75Å; N229-T233 WeakPolarHBondContact CA-OG1 3.48Å; N229-T233 HydrophobicContact CB-CG2 3.81Å; N229-T233 PolarHBondContact N-OG1 2.96Å; N229-T233 PolarHBondContact O-N 3.28Å; N229-T233 PolarHBondContact O-OG1 2.86Å
230P90.3Very high94.1Very high19 Ų1942.1 Ų42.112%0.12324%0.241CC..THydrogen-bonded Turntrans-55.8143.3-174.3-24.835000111.7L205 I223 K232L205-P230 HydrophobicContact CB-CB 4.18Å; L205-P230 HydrophobicContact CD2-CB 3.88Å; L205-P230 HydrophobicContact CD2-CG 4.29Å; I223-P230 HydrophobicContact CD1-CB 4.43Å; I223-P230 HydrophobicContact CG1-CB 3.94Å; P230-K232 PolarHBondContact O-N 2.67Å
231F93.7Very high94.4Very high0 Ų039.1 Ų39.10%022%0.221CC..BIsolated β-bridgetrans65.6-64.6-165.6-56.2-51.5000114.4Q131 L132 L157 P158 F202 G203 L205 I223 T233 D234 L237Q131-F231 WeakPolarHBondContact O-CE2 3.33Å; L132-F231 HydrophobicContact CD2-CD1 4.16Å; L132-F231 HydrophobicContact CD2-CE1 3.98Å; L157-F231 HydrophobicContact CD1-CE2 4.09Å; L157-F231 HydrophobicContact CD1-CZ 3.86Å; L157-F231 HydrophobicContact CG-CE2 4.42Å; L157-F231 HydrophobicContact CG-CZ 4.04Å; P158-F231 HydrophobicContact CB-CE1 3.76Å; P158-F231 HydrophobicContact CB-CZ 3.94Å; P158-F231 HydrophobicContact CG-CE1 3.81Å; P158-F231 HydrophobicContact CG-CZ 4.3Å; F202-F231 HydrophobicContact CD1-CB 4.26Å; G203-F231 WeakPolarHBondContact O-CB 3.36Å; L205-F231 HydrophobicContact CB-CD2 4.26Å; L205-F231 HydrophobicContact CD1-CD2 4.26Å; L205-F231 HydrophobicContact CD1-CE2 3.9Å; I223-F231 HydrophobicContact CD1-CD1 4.11Å; I223-F231 HydrophobicContact CD1-CE1 4.06Å; I223-F231 HydrophobicContact CG1-CD1 4.05Å; I223-F231 HydrophobicContact CG1-CE1 3.7Å; I223-F231 HydrophobicContact CG1-CZ 3.97Å; F231-T233 VanDerWaalsContact C-N 3.3Å; F231-T233 PolarHBondContact O-N 3.44Å; F231-D234 PolarHBondContact O-N 3.28Å; F231-L237 HydrophobicContact CD1-CD2 3.59Å; F231-L237 HydrophobicContact CE1-CD2 3.93Å
232K94.2Very high94.6Very high50 Ų5038.5 Ų38.522%0.21721%0.214CC..THydrogen-bonded Turntrans-56.6-40.4-171.3-171.364.6175.1-175.40113.8V198 D199 F202 G203 N229 P230V198-K232 WeakPolarHBondContact O-CE 3.33Å; V198-K232 PolarHBondContact O-NZ 2.87Å; D199-K232 PolarHBondContact O-NZ 2.97Å; F202-K232 WeakPolarHBondContact O-CD 3.29Å; G203-K232 WeakPolarHBondContact O-CB 3.31Å; G203-K232 PolarHBondContact O-N 3.28Å; N229-K232 HydrophobicContact CB-CB 4.39Å; N229-K232 PolarHBondContact O-N 2.75Å; P230-K232 PolarHBondContact O-N 2.67Å
233T94.9Very high94.8Very high61 Ų6139.4 Ų39.437%0.37422%0.216SC..THydrogen-bonded Turntrans-109.71.3-175.660.30000113.7S227 N229 F231 E235S227-T233 WeakPolarHBondContact CB-OG1 3.17Å; S227-T233 PolarHBondContact OG-OG1 2.76Å; N229-T233 WeakPolarHBondContact CA-OG1 3.48Å; N229-T233 HydrophobicContact CB-CG2 3.81Å; N229-T233 PolarHBondContact N-OG1 2.96Å; N229-T233 PolarHBondContact O-N 3.28Å; N229-T233 PolarHBondContact O-OG1 2.86Å; F231-T233 VanDerWaalsContact C-N 3.3Å; F231-T233 PolarHBondContact O-N 3.44Å; T233-E235 VanDerWaalsContact C-N 3.29Å; T233-E235 PolarHBondContact O-N 2.78Å; T233-E235 VanDerWaalsContact O-N 3.1Å
234D95.8Very high95Very high7 Ų740.1 Ų40.14%0.03722%0.222CC..  trans-85.672.3175-170.6-13000109.9R226 F231 A236 L237 I238R226-D234 IonicContact CZ-OD2 2.69Å; R226-D234 IonicContact NE-OD2 3.19Å; R226-D234 PolarHBondContact NE-OD2 2.85Å; R226-D234 IonicContact NH2-OD1 3.51Å; R226-D234 PolarHBondContact NH2-OD1 2.73Å; R226-D234 IonicContact NH2-OD2 2.88Å; R226-D234 PolarHBondContact NH2-OD2 3.23Å; F231-D234 PolarHBondContact O-N 3.28Å; D234-A236 PolarHBondContact O-N 3.46Å; D234-L237 HydrophobicContact CB-CB 4.01Å; D234-L237 WeakPolarHBondContact O-CB 3.45Å; D234-L237 PolarHBondContact O-N 3.12Å; D234-L237 WeakPolarHBondContact OD1-CB 3.29Å; D234-L237 PolarHBondContact OD1-N 3.43Å; D234-L237 WeakPolarHBondContact OD2-CB 3.4Å; D234-I238 WeakPolarHBondContact O-CG1 3.49Å; D234-I238 PolarHBondContact O-N 3.2Å
235E97.2Very high95.2Very high31 Ų3140.2 Ų40.215%0.14524%0.236CC..Hα-helixtrans-62.5-26.3-176.9-65.8-168.6-137.700113K190 G191 I192 A193 V198 T233 I238 V239K190-E235 WeakPolarHBondContact CA-OE1 3.2Å; G191-E235 WeakPolarHBondContact CA-OE2 3.2Å; G191-E235 VanDerWaalsContact N-CD 3.26Å; G191-E235 PolarHBondContact N-OE1 2.96Å; G191-E235 PolarHBondContact N-OE2 2.95Å; I192-E235 HydrophobicContact CD1-CB 3.98Å; I192-E235 HydrophobicContact CG1-CB 3.52Å; I192-E235 PolarHBondContact N-OE2 3.31Å; A193-E235 HydrophobicContact CB-CB 3.92Å; A193-E235 HydrophobicContact CB-CG 3.96Å; A193-E235 PolarHBondContact N-OE2 2.63Å; V198-E235 HydrophobicContact CG2-CG 4.47Å; T233-E235 VanDerWaalsContact C-N 3.29Å; T233-E235 PolarHBondContact O-N 2.78Å; T233-E235 VanDerWaalsContact O-N 3.1Å; E235-I238 PolarHBondContact O-N 3.19Å; E235-V239 WeakPolarHBondContact O-CB 3.35Å; E235-V239 VanDerWaalsContact O-CG2 3.32Å; E235-V239 WeakPolarHBondContact O-CG2 3.45Å; E235-V239 PolarHBondContact O-N 3.24Å
236A96.5Very high95.5Very high42 Ų4241.5 Ų41.535%0.34724%0.239SC..Hα-helixtrans-64.6-42.2173.900000111.4D234 W240D234-A236 PolarHBondContact O-N 3.46Å; A236-W240 WeakPolarHBondContact O-CB 3.23Å; A236-W240 PolarHBondContact O-N 2.85Å
237L97Very high95.7Very high0 Ų039.5 Ų39.50%024%0.236CC..Hα-helixtrans-62.5-45.4170.4175.466000111.1I166 F202 W219 I223 F231 D234 V239 W240 M241I166-L237 HydrophobicContact CD1-CB 4.16Å; I166-L237 HydrophobicContact CD1-CD1 3.83Å; F202-L237 HydrophobicContact CE1-CG 4.49Å; W219-L237 HydrophobicContact CH2-CD1 4.14Å; W219-L237 HydrophobicContact CH2-CD2 4.25Å; W219-L237 HydrophobicContact CZ2-CD1 3.96Å; I223-L237 HydrophobicContact CD1-CD2 3.91Å; F231-L237 HydrophobicContact CD1-CD2 3.59Å; F231-L237 HydrophobicContact CE1-CD2 3.93Å; D234-L237 HydrophobicContact CB-CB 4.01Å; D234-L237 WeakPolarHBondContact O-CB 3.45Å; D234-L237 PolarHBondContact O-N 3.12Å; D234-L237 WeakPolarHBondContact OD1-CB 3.29Å; D234-L237 PolarHBondContact OD1-N 3.43Å; D234-L237 WeakPolarHBondContact OD2-CB 3.4Å; L237-V239 PolarHBondContact O-N 3.07Å; L237-W240 PolarHBondContact O-N 3.01Å; L237-W240 VanDerWaalsContact O-N 3.12Å; L237-M241 HydrophobicContact CD1-CG 3.74Å; L237-M241 HydrophobicContact CD1-SD 4.12Å; L237-M241 HydrophobicContact CG-CG 4.07Å; L237-M241 WeakPolarHBondContact O-CB 3.36Å; L237-M241 VanDerWaalsContact O-CG 3.23Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.04Å
238I97.8Very high96Very high0 Ų043.1 Ų43.10%025%0.253CS..Hα-helixtrans-58.8-47.8-179.8-61.6176.3000111.1A193 D197 V198 F202 D234 E235 W240 M241 R242A193-I238 HydrophobicContact CB-CB 3.95Å; A193-I238 HydrophobicContact CB-CD1 4.44Å; A193-I238 HydrophobicContact CB-CG2 3.64Å; D197-I238 HydrophobicContact CB-CG2 3.56Å; V198-I238 HydrophobicContact CG2-CD1 3.89Å; F202-I238 HydrophobicContact CB-CD1 4.01Å; F202-I238 HydrophobicContact CB-CG1 4.25Å; F202-I238 HydrophobicContact CD1-CD1 4.48Å; F202-I238 HydrophobicContact CD1-CG1 3.8Å; F202-I238 HydrophobicContact CD2-CB 4.28Å; F202-I238 HydrophobicContact CD2-CD1 4Å; F202-I238 HydrophobicContact CD2-CG1 3.62Å; F202-I238 HydrophobicContact CD2-CG2 3.94Å; F202-I238 HydrophobicContact CE1-CG1 3.99Å; F202-I238 HydrophobicContact CE2-CB 4.1Å; F202-I238 HydrophobicContact CE2-CG1 3.86Å; F202-I238 HydrophobicContact CE2-CG2 3.72Å; F202-I238 HydrophobicContact CG-CD1 3.92Å; F202-I238 HydrophobicContact CG-CG1 3.61Å; F202-I238 HydrophobicContact CZ-CB 4.3Å; F202-I238 HydrophobicContact CZ-CG1 4.04Å; F202-I238 HydrophobicContact CZ-CG2 4.35Å; D234-I238 WeakPolarHBondContact O-CG1 3.49Å; D234-I238 PolarHBondContact O-N 3.2Å; E235-I238 PolarHBondContact O-N 3.19Å; I238-W240 VanDerWaalsContact C-N 3.3Å; I238-W240 PolarHBondContact O-N 3.38Å; I238-M241 PolarHBondContact O-N 2.86Å; I238-R242 PolarHBondContact O-N 3.07Å
239V98.2Very high96.4Very high18 Ų1838.5 Ų38.511%0.10922%0.217CC..Hα-helixtrans-60.7-40.4176.2170.30000111I192 A193 E235 L237 K251I192-V239 HydrophobicContact CB-CG2 4.39Å; I192-V239 HydrophobicContact CD1-CG2 4.23Å; I192-V239 HydrophobicContact CG1-CG2 3.93Å; I192-V239 WeakPolarHBondContact O-CG2 3.35Å; A193-V239 HydrophobicContact CB-CG2 4.27Å; E235-V239 WeakPolarHBondContact O-CB 3.35Å; E235-V239 VanDerWaalsContact O-CG2 3.32Å; E235-V239 WeakPolarHBondContact O-CG2 3.45Å; E235-V239 PolarHBondContact O-N 3.24Å; L237-V239 PolarHBondContact O-N 3.07Å; V239-K251 HydrophobicContact CG1-CB 3.78Å; V239-K251 HydrophobicContact CG1-CD 4.26Å; V239-K251 HydrophobicContact CG1-CG 4.06Å; V239-K251 PolarHBondContact O-NZ 2.71Å
240W98.1Very high96.7Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-65.6-47.5177.5-178.3-105.5000112.8Y111 L113 F116 Y123 I162 S165 I166 F167 A236 L237 I238 R242 F249 K251 Y279Y111-W240 HydrophobicContact CE2-CE3 4.3Å; Y111-W240 HydrophobicContact CE2-CZ3 4.12Å; L113-W240 HydrophobicContact CD1-CH2 3.88Å; L113-W240 HydrophobicContact CD1-CZ3 3.87Å; F116-W240 HydrophobicContact CE1-CH2 4.14Å; F116-W240 HydrophobicContact CE1-CZ2 4.16Å; F116-W240 HydrophobicContact CZ-CH2 4.03Å; F116-W240 AromaticContact CZ-CZ2 3.96Å; F116-W240 HydrophobicContact CZ-CZ2 3.96Å; Y123-W240 WeakPolarHBondContact OH-CZ2 3.44Å; I162-W240 PolarHBondContact O-NE1 3.42Å; S165-W240 WeakPolarHBondContact O-CZ2 3.39Å; I166-W240 HydrophobicContact CB-CG 4.29Å; I166-W240 HydrophobicContact CD1-CB 4.36Å; I166-W240 HydrophobicContact CG1-CB 4.04Å; I166-W240 HydrophobicContact CG1-CD2 4.42Å; I166-W240 HydrophobicContact CG1-CG 3.84Å; F167-W240 HydrophobicContact CB-CE3 3.86Å; F167-W240 HydrophobicContact CB-CH2 4.35Å; F167-W240 HydrophobicContact CB-CZ3 3.71Å; A236-W240 WeakPolarHBondContact O-CB 3.23Å; A236-W240 PolarHBondContact O-N 2.85Å; L237-W240 PolarHBondContact O-N 3.01Å; L237-W240 VanDerWaalsContact O-N 3.12Å; I238-W240 VanDerWaalsContact C-N 3.3Å; I238-W240 PolarHBondContact O-N 3.38Å; W240-R242 PolarHBondContact O-N 3.1Å; W240-F249 HydrophobicContact CH2-CZ 4.48Å; W240-F249 HydrophobicContact CZ3-CE2 4.3Å; W240-F249 HydrophobicContact CZ3-CZ 4.34Å; W240-K251 HydrophobicContact CE3-CD 3.69Å; W240-K251 HydrophobicContact CZ3-CD 4.15Å; W240-K251 PolarHBondContact O-NZ 3.22Å; W240-Y279 WeakPolarHBondContact CH2-OH 3.4Å
241M97.8Very high97.1Very high13 Ų1341.2 Ų41.26%0.06422%0.223CC..Hα-helixtrans-63.1-22.4-177.9-70-56.6-73.100113.2K127 L132 I162 A163 F202 L237 I238 I243K127-M241 HydrophobicContact CB-CE 3.9Å; K127-M241 HydrophobicContact CD-CE 4.25Å; L132-M241 HydrophobicContact CD1-CE 3.75Å; L132-M241 HydrophobicContact CD2-CE 4.27Å; I162-M241 HydrophobicContact CB-CE 4.08Å; I162-M241 HydrophobicContact CB-SD 3.93Å; I162-M241 HydrophobicContact CG2-CE 4.08Å; I162-M241 HydrophobicContact CG2-SD 3.5Å; I162-M241 WeakPolarHBondContact CG2-SD 3.41Å; A163-M241 HydrophobicContact CB-SD 4.2Å; F202-M241 HydrophobicContact CE1-CB 4.44Å; F202-M241 HydrophobicContact CE1-CG 4.19Å; F202-M241 HydrophobicContact CZ-CB 3.75Å; F202-M241 HydrophobicContact CZ-CG 4Å; L237-M241 HydrophobicContact CD1-CG 3.74Å; L237-M241 HydrophobicContact CD1-SD 4.12Å; L237-M241 HydrophobicContact CG-CG 4.07Å; L237-M241 WeakPolarHBondContact O-CB 3.36Å; L237-M241 VanDerWaalsContact O-CG 3.23Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.04Å; I238-M241 PolarHBondContact O-N 2.86Å; M241-I243 PolarHBondContact O-N 2.78Å; M241-I243 VanDerWaalsContact O-N 3.07Å
242R97.6Very high97.3Very high97 Ų9742.5 Ų42.537%0.36623%0.23SC..SBendtrans-72.196169.3-177.3177.6-80-125.42.5110.6W194 D197 I238 W240 A244 K251W194-R242 VanDerWaalsContact CG-NH2 3.33Å; D197-R242 IonicContact OD1-NH2 3.04Å; D197-R242 PolarHBondContact OD1-NH2 3.24Å; D197-R242 IonicContact OD2-CZ 3.08Å; D197-R242 IonicContact OD2-NE 3.64Å; D197-R242 PolarHBondContact OD2-NE 3.31Å; D197-R242 IonicContact OD2-NH2 3.86Å; D197-R242 PolarHBondContact OD2-NH2 3.06Å; I238-R242 PolarHBondContact O-N 3.07Å; W240-R242 PolarHBondContact O-N 3.1Å; R242-A244 PolarHBondContact O-N 2.69Å; R242-K251 PolarHBondContact O-NZ 3.48Å
243I97.4Very high97.5Very high59 Ų5941.8 Ų41.830%0.30323%0.228SC..  trans-53.8132.8-179.4-66.4157.6000112.1Q118 A124 I162 M241Q118-I243 HydrophobicContact CB-CG2 3.86Å; Q118-I243 WeakPolarHBondContact O-CG2 3.42Å; A124-I243 VanDerWaalsContact CA-CD1 3.47Å; A124-I243 HydrophobicContact CB-CD1 3.67Å; A124-I243 WeakPolarHBondContact O-CD1 3.37Å; I162-I243 HydrophobicContact CD1-CD1 3.81Å; I162-I243 HydrophobicContact CD1-CG1 4.03Å; M241-I243 PolarHBondContact O-N 2.78Å; M241-I243 VanDerWaalsContact O-N 3.07Å
244A98.1Very high97.6Very high16 Ų1638.9 Ų38.913%0.13221%0.21CC..  trans-77.2142.4169.600000111.9R242 F249R242-A244 PolarHBondContact O-N 2.69Å; A244-F249 HydrophobicContact CB-CB 3.47Å; A244-F249 VanDerWaalsContact CB-CB 3.47Å; A244-F249 HydrophobicContact CB-CD1 3.56Å; A244-F249 HydrophobicContact CB-CD2 4.05Å; A244-F249 HydrophobicContact CB-CE1 4.26Å; A244-F249 HydrophobicContact CB-CG 3.42Å; A244-F249 VanDerWaalsContact CB-CG 3.42Å
245A97.5Very high97.7Very high82 Ų8240.2 Ų40.268%0.67822%0.217SC*.SBendtrans-74.9-23.3-179.600000113.8N119N119-A245 PolarHBondContact ND2-O 2.89Å
246L97.6Very high97.7Very high115 Ų11538.9 Ų38.960%0.60221%0.211SC*.SBendtrans-121.8154.4-175.4-64.3175.6000110.7N248 F249L246-N248 PolarHBondContact O-N 2.95Å; L246-F249 WeakPolarHBondContact O-CD1 3.32Å
247P97.6Very high97.7Very high30 Ų3039.3 Ų39.320%0.19521%0.209CC..SBendtrans-68.9-20.2178.627.3-35.4000114N115 F116 Y117N115-P247 PolarHBondContact N-O 3.19Å; F116-P247 PolarHBondContact N-O 3.21Å; F116-P247 WeakPolarHBondContact O-CA 3.36Å; Y117-P247 HydrophobicContact CD1-CB 3.76Å; Y117-P247 HydrophobicContact CD1-CG 4.34Å; Y117-P247 HydrophobicContact CD2-CB 4.48Å; Y117-P247 HydrophobicContact CE1-CB 3.69Å; Y117-P247 HydrophobicContact CE1-CG 3.96Å; Y117-P247 HydrophobicContact CE2-CB 4.42Å; Y117-P247 HydrophobicContact CG-CB 4.17Å
248N97.8Very high97.6Very high102 Ų10242.5 Ų42.555%0.54522%0.224SC..SBendtrans-106.9114.1173-60.1-27.2000107.5L113 S114 N115 L246L113-N248 WeakPolarHBondContact O-CA 3.49Å; S114-N248 WeakPolarHBondContact CA-OD1 3.43Å; S114-N248 WeakPolarHBondContact CB-OD1 3.37Å; N115-N248 PolarHBondContact N-OD1 2.94Å; L246-N248 PolarHBondContact O-N 2.95Å
249F97.9Very high97.4Very high25 Ų2548.7 Ų48.711%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-145.1163.5-176.362.3-94.5000111.2G112 L113 F116 Q118 W240 A244 L246 K251G112-F249 CarbonylContact C-O 3.43Å; G112-F249 VanDerWaalsContact CA-O 3.28Å; G112-F249 WeakPolarHBondContact CA-O 3.45Å; L113-F249 HydrophobicContact CB-CE1 4.24Å; L113-F249 HydrophobicContact CB-CE2 4.1Å; L113-F249 HydrophobicContact CB-CZ 3.87Å; L113-F249 HydrophobicContact CD1-CE2 4.09Å; L113-F249 HydrophobicContact CD1-CZ 3.8Å; L113-F249 HydrophobicContact CG-CE2 4.38Å; L113-F249 HydrophobicContact CG-CZ 4.33Å; L113-F249 PolarHBondContact N-O 3.21Å; L113-F249 PolarHBondContact O-N 2.75Å; F116-F249 HydrophobicContact CB-CE1 3.83Å; F116-F249 HydrophobicContact CB-CZ 4.29Å; F116-F249 AromaticContact CD1-CE1 3.87Å; F116-F249 HydrophobicContact CD1-CE1 3.87Å; F116-F249 AromaticContact CD1-CZ 3.97Å; F116-F249 HydrophobicContact CD1-CZ 3.97Å; F116-F249 HydrophobicContact CG-CE1 4.17Å; F116-F249 HydrophobicContact CG-CZ 4.28Å; F116-F249 WeakPolarHBondContact O-CE1 3.43Å; Q118-F249 HydrophobicContact CG-CE1 3.7Å; Q118-F249 HydrophobicContact CG-CZ 3.84Å; W240-F249 HydrophobicContact CH2-CZ 4.48Å; W240-F249 HydrophobicContact CZ3-CE2 4.3Å; W240-F249 HydrophobicContact CZ3-CZ 4.34Å; A244-F249 HydrophobicContact CB-CB 3.47Å; A244-F249 VanDerWaalsContact CB-CB 3.47Å; A244-F249 HydrophobicContact CB-CD1 3.56Å; A244-F249 HydrophobicContact CB-CD2 4.05Å; A244-F249 HydrophobicContact CB-CE1 4.26Å; A244-F249 HydrophobicContact CB-CG 3.42Å; A244-F249 VanDerWaalsContact CB-CG 3.42Å; L246-F249 WeakPolarHBondContact O-CD1 3.32Å; F249-K251 HydrophobicContact CD2-CD 4.25Å; F249-K251 HydrophobicContact CD2-CG 4.03Å; F249-K251 HydrophobicContact CE2-CD 3.89Å; F249-K251 HydrophobicContact CE2-CG 4.17Å
250R97.6Very high97.2Very high101 Ų10153.6 Ų53.638%0.38128%0.277SS..EExtended strand (participates in β ladder)trans-123.2150.9168.966.9179.177-176-1.3109.6E64 Y110 Y111 I291E64-R250 IonicContact OE1-CZ 3.61Å; E64-R250 IonicContact OE1-NH1 3.54Å; E64-R250 IonicContact OE1-NH2 2.73Å; E64-R250 PolarHBondContact OE1-NH2 3.13Å; E64-R250 IonicContact OE2-CZ 3.4Å; E64-R250 IonicContact OE2-NH1 2.66Å; E64-R250 PolarHBondContact OE2-NH1 2.98Å; E64-R250 IonicContact OE2-NH2 3.73Å; E64-R250 PolarHBondContact OE2-NH2 2.9Å; Y110-R250 HydrophobicContact CD1-CG 4.34Å; Y111-R250 CarbonylContact O-C 3.55Å; Y111-R250 WeakPolarHBondContact O-CA 3.24Å; R250-I291 HydrophobicContact CB-CD1 4.06Å
251K98.3Very high96.9Very high16 Ų1656.6 Ų56.67%0.0729%0.293CS..EExtended strand (participates in β ladder)trans-133.5140.4177.9-79.5178.2-177.7-65.90109.3Y110 Y111 V239 W240 R242 F249 N253Y110-K251 WeakPolarHBondContact CA-O 3.5Å; Y110-K251 WeakPolarHBondContact CB-O 3.46Å; Y111-K251 HydrophobicContact CD1-CB 4.46Å; Y111-K251 HydrophobicContact CD2-CB 4.32Å; Y111-K251 HydrophobicContact CE1-CB 3.77Å; Y111-K251 HydrophobicContact CE2-CB 3.67Å; Y111-K251 HydrophobicContact CE2-CD 3.91Å; Y111-K251 HydrophobicContact CE2-CG 4.29Å; Y111-K251 PolarHBondContact N-O 2.91Å; Y111-K251 PolarHBondContact O-N 3.21Å; Y111-K251 WeakPolarHBondContact OH-CB 3.37Å; Y111-K251 WeakPolarHBondContact OH-CD 3.49Å; V239-K251 HydrophobicContact CG1-CB 3.78Å; V239-K251 HydrophobicContact CG1-CD 4.26Å; V239-K251 HydrophobicContact CG1-CG 4.06Å; V239-K251 PolarHBondContact O-NZ 2.71Å; W240-K251 HydrophobicContact CE3-CD 3.69Å; W240-K251 HydrophobicContact CZ3-CD 4.15Å; W240-K251 PolarHBondContact O-NZ 3.22Å; R242-K251 PolarHBondContact O-NZ 3.48Å; F249-K251 HydrophobicContact CD2-CD 4.25Å; F249-K251 HydrophobicContact CD2-CG 4.03Å; F249-K251 HydrophobicContact CE2-CD 3.89Å; F249-K251 HydrophobicContact CE2-CG 4.17Å; K251-N253 PolarHBondContact O-N 3.35Å
252L98.1Very high96.8Very high28 Ų2856.3 Ų56.315%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-70125.9-179.5-175.860000108.9Y108 Y110 I192 A254 I255Y108-L252 HydrophobicContact CD1-CD1 3.85Å; Y108-L252 HydrophobicContact CD1-CD2 4.3Å; Y108-L252 HydrophobicContact CG-CD1 4.26Å; Y110-L252 HydrophobicContact CD1-CB 3.98Å; Y110-L252 HydrophobicContact CD1-CD1 4.04Å; Y110-L252 HydrophobicContact CE1-CB 3.82Å; Y110-L252 HydrophobicContact CE1-CD1 3.69Å; Y110-L252 HydrophobicContact CE1-CG 4.3Å; I192-L252 HydrophobicContact CB-CB 4.49Å; I192-L252 HydrophobicContact CB-CD2 3.76Å; I192-L252 HydrophobicContact CB-CG 3.88Å; I192-L252 HydrophobicContact CG2-CD2 3.96Å; I192-L252 HydrophobicContact CG2-CG 3.93Å; L252-A254 WeakPolarHBondContact CD1-O 3.43Å; L252-I255 HydrophobicContact CD2-CG1 4.44Å
253N98Very high96.7Very high34 Ų3454 Ų5418%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-102-46.4-179.3-173-108.3000111.2L109 Y111 I192 K251L109-N253 HydrophobicContact CD2-CB 3.59Å; L109-N253 WeakPolarHBondContact O-CB 3.27Å; L109-N253 PolarHBondContact O-N 3.14Å; Y111-N253 HydrophobicContact CD1-CB 3.85Å; Y111-N253 HydrophobicContact CE1-CB 4.29Å; I192-N253 WeakPolarHBondContact CD1-O 3.43Å; K251-N253 PolarHBondContact O-N 3.35Å
254A97.9Very high96.6Very high1 Ų158.3 Ų58.31%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-158.1164.4-177.900000111.1L109 T187 T188 T189 L252L109-A254 HydrophobicContact CB-CB 4.36Å; L109-A254 WeakPolarHBondContact CB-O 3.25Å; L109-A254 PolarHBondContact N-O 2.82Å; L109-A254 PolarHBondContact O-N 2.73Å; T187-A254 HydrophobicContact CG2-CB 4.45Å; T188-A254 CarbonylContact O-C 3.49Å; T188-A254 VanDerWaalsContact O-CA 3.28Å; T188-A254 WeakPolarHBondContact O-CA 3.46Å; T188-A254 WeakPolarHBondContact O-CB 3.29Å; T189-A254 HydrophobicContact CG2-CB 4.43Å; L252-A254 WeakPolarHBondContact CD1-O 3.43Å
255I97.7Very high96.4Very high35 Ų3557.7 Ų57.718%0.17931%0.312CS..EExtended strand (participates in β ladder)trans-115135.6174.7-58165.4000107.6Y108 T187 T188 I192 L252 V257Y108-I255 HydrophobicContact CD1-CG1 3.89Å; Y108-I255 HydrophobicContact CD1-CG2 4.49Å; Y108-I255 HydrophobicContact CE1-CD1 4.36Å; Y108-I255 HydrophobicContact CE1-CG1 4.1Å; Y108-I255 HydrophobicContact CE1-CG2 4.45Å; T187-I255 CarbonylContact C-O 3.52Å; T187-I255 VanDerWaalsContact CA-O 3.27Å; T187-I255 WeakPolarHBondContact CA-O 3.28Å; T188-I255 HydrophobicContact CG2-CB 3.97Å; T188-I255 PolarHBondContact N-O 3.2Å; T188-I255 PolarHBondContact O-N 3.24Å; I192-I255 HydrophobicContact CG2-CD1 4.23Å; I192-I255 HydrophobicContact CG2-CG1 4.14Å; L252-I255 HydrophobicContact CD2-CG1 4.44Å; I255-V257 PolarHBondContact O-N 3.49Å
256V97.3Very high96.3Very high2 Ų253.9 Ų53.91%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-71.6123.8175177.60000109.1V107 V185 T187 Q258 F262 L266V107-V256 HydrophobicContact CB-CB 4.02Å; V107-V256 HydrophobicContact CB-CG2 3.91Å; V107-V256 HydrophobicContact CG1-CG2 3.84Å; V107-V256 PolarHBondContact O-N 3.33Å; V185-V256 HydrophobicContact CG1-CG1 3.74Å; V185-V256 HydrophobicContact CG1-CG2 4.16Å; T187-V256 HydrophobicContact CG2-CG2 4.4Å; V256-Q258 PolarHBondContact O-N 3.28Å; V256-Q258 PolarHBondContact O-NE2 3.37Å; V256-F262 HydrophobicContact CG1-CB 4.18Å; V256-L266 HydrophobicContact CG1-CD2 4.03Å; V256-L266 HydrophobicContact CG2-CD1 4.48Å; V256-L266 HydrophobicContact CG2-CD2 4.45Å
257V96.9Very high96.3Very high52 Ų5249.9 Ų49.932%0.31526%0.261SS..  trans-68.8121.7176.2178.70000108.6T186 T188 I255 K259T186-V257 HydrophobicContact CG2-CB 4.2Å; T186-V257 HydrophobicContact CG2-CG2 3.97Å; T186-V257 PolarHBondContact O-N 3.2Å; T188-V257 HydrophobicContact CG2-CG2 4.1Å; I255-V257 PolarHBondContact O-N 3.49Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 HydrophobicContact CG1-CB 4.18Å; V257-K259 PolarHBondContact O-N 3.24Å
258Q93.9Very high96.1Very high67 Ų6751 Ų5131%0.31327%0.27SS..  trans-8080.9-177.3-57.1-61.6-61.700109.9V256 F262V256-Q258 PolarHBondContact O-N 3.28Å; V256-Q258 PolarHBondContact O-NE2 3.37Å; Q258-F262 WeakPolarHBondContact CA-O 3.48Å; Q258-F262 PolarHBondContact OE1-O 3.42Å
259K94.2Very high96Very high129 Ų12947.2 Ų47.256%0.56126%0.255SS*.  trans-145.5152.8-178.5-162.3-166.5166.1-170.70110.6V257 D261 F262V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 HydrophobicContact CG1-CB 4.18Å; V257-K259 PolarHBondContact O-N 3.24Å; K259-D261 PolarHBondContact O-N 3.39Å; K259-F262 CarbonylContact O-C 3.55Å; K259-F262 WeakPolarHBondContact O-CA 3.46Å; K259-F262 PolarHBondContact O-N 2.63Å
260D93.5Very high95.9Very high121 Ų12148.3 Ų48.365%0.64726%0.263SS*.G310 helixtrans56-126.4174.4-50.6-45.6000110.7F262 A263D260-F262 PolarHBondContact O-N 3.14Å; D260-A263 WeakPolarHBondContact O-CB 3.39Å; D260-A263 PolarHBondContact O-N 3.11Å
261D92.8Very high95.9Very high63 Ų6343.5 Ų43.534%0.33725%0.245SC..G310 helixtrans-58.1-19.9176.8-63.9-28.4000113.5R177 K259R177-D261 IonicContact CZ-OD1 3.94Å; R177-D261 IonicContact CZ-OD2 3.18Å; R177-D261 IonicContact NE-OD1 3.71Å; R177-D261 IonicContact NE-OD2 2.87Å; R177-D261 PolarHBondContact NE-OD2 3Å; R177-D261 IonicContact NH2-OD1 3.37Å; R177-D261 PolarHBondContact NH2-OD1 2.99Å; R177-D261 IonicContact NH2-OD2 2.68Å; R177-D261 PolarHBondContact NH2-OD2 2.92Å; K259-D261 PolarHBondContact O-N 3.39Å
262F95.4Very high95.8Very high7 Ų744.2 Ų44.23%0.03125%0.249CC..G310 helixtrans-106.314-174.7-43.9-60.9000113.4Y175 V183 V185 V256 Q258 K259 D260 N264 G265 L266Y175-F262 HydrophobicContact CD1-CE1 4.19Å; Y175-F262 HydrophobicContact CD1-CZ 4.44Å; Y175-F262 HydrophobicContact CG-CE1 4.18Å; Y175-F262 HydrophobicContact CG-CZ 4.49Å; V183-F262 HydrophobicContact CG1-CE2 4.12Å; V183-F262 HydrophobicContact CG1-CZ 4.1Å; V185-F262 HydrophobicContact CB-CE2 4.29Å; V185-F262 HydrophobicContact CB-CZ 4.22Å; V185-F262 HydrophobicContact CG1-CD2 4.41Å; V185-F262 HydrophobicContact CG1-CE2 4.36Å; V185-F262 HydrophobicContact CG1-CZ 4.46Å; V185-F262 HydrophobicContact CG2-CE1 3.88Å; V185-F262 HydrophobicContact CG2-CE2 4.2Å; V185-F262 HydrophobicContact CG2-CZ 3.62Å; V256-F262 HydrophobicContact CG1-CB 4.18Å; Q258-F262 WeakPolarHBondContact CA-O 3.48Å; Q258-F262 PolarHBondContact OE1-O 3.42Å; K259-F262 CarbonylContact O-C 3.55Å; K259-F262 WeakPolarHBondContact O-CA 3.46Å; K259-F262 PolarHBondContact O-N 2.63Å; D260-F262 PolarHBondContact O-N 3.14Å; F262-N264 PolarHBondContact O-N 3.39Å; F262-G265 CarbonylContact C-O 3.54Å; F262-G265 WeakPolarHBondContact CA-O 3.46Å; F262-G265 PolarHBondContact O-N 3.35Å; F262-L266 HydrophobicContact CD1-CD2 3.59Å; F262-L266 HydrophobicContact CE1-CD2 4.07Å; F262-L266 HydrophobicContact CG-CD2 4.28Å
263A95.1Very high95.8Very high49 Ų4942.9 Ų42.941%0.40524%0.242SC..THydrogen-bonded Turntrans-58.7-30.8-175.700000114.2D260D260-A263 WeakPolarHBondContact O-CB 3.39Å; D260-A263 PolarHBondContact O-N 3.11Å
264N94.7Very high95.7Very high150 Ų15042.8 Ų42.880%0.80224%0.242SC*.THydrogen-bonded Turntrans-112.314.3-178.8-64.3-48.5000113.2G105 F262G105-N264 PolarHBondContact N-O 3.31Å; F262-N264 PolarHBondContact O-N 3.39Å
265G95.3Very high95.8Very high3 Ų342.7 Ų42.73%0.03124%0.242CC..EExtended strand (participates in β ladder)trans119.5-156.6-174.800000112.8I103 F262I103-G265 CarbonylContact O-C 3.52Å; I103-G265 VanDerWaalsContact O-CA 3.29Å; I103-G265 WeakPolarHBondContact O-CA 3.15Å; F262-G265 CarbonylContact C-O 3.54Å; F262-G265 WeakPolarHBondContact CA-O 3.46Å; F262-G265 PolarHBondContact O-N 3.35Å
266L95.9Very high95.8Very high1 Ų142.9 Ų42.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-97.2117.4174.9-71.3-175.5000109.6S102 I103 V107 L173 V185 V256 F262 Y271 L292S102-L266 CarbonylContact C-O 3.45Å; S102-L266 VanDerWaalsContact CA-O 3.23Å; S102-L266 WeakPolarHBondContact CA-O 3.36Å; S102-L266 WeakPolarHBondContact CB-O 3.45Å; I103-L266 HydrophobicContact CB-CB 4.25Å; I103-L266 HydrophobicContact CD1-CD1 4.34Å; I103-L266 HydrophobicContact CG1-CB 4.48Å; I103-L266 PolarHBondContact N-O 3.36Å; I103-L266 PolarHBondContact O-N 3.17Å; V107-L266 HydrophobicContact CB-CG 4.39Å; V107-L266 HydrophobicContact CG1-CD1 3.82Å; V107-L266 HydrophobicContact CG1-CG 4.03Å; V107-L266 HydrophobicContact CG2-CG 4.18Å; L173-L266 HydrophobicContact CD2-CD1 4.29Å; V185-L266 HydrophobicContact CG1-CD2 3.89Å; V185-L266 HydrophobicContact CG2-CD2 4.39Å; V256-L266 HydrophobicContact CG1-CD2 4.03Å; V256-L266 HydrophobicContact CG2-CD1 4.48Å; V256-L266 HydrophobicContact CG2-CD2 4.45Å; F262-L266 HydrophobicContact CD1-CD2 3.59Å; F262-L266 HydrophobicContact CE1-CD2 4.07Å; F262-L266 HydrophobicContact CG-CD2 4.28Å; L266-Y271 WeakPolarHBondContact CB-OH 2.93Å; L266-Y271 HydrophobicContact CD1-CE1 4.5Å; L266-Y271 HydrophobicContact CD2-CE1 4.1Å; L266-L292 HydrophobicContact CD1-CD1 3.91Å; L266-L292 HydrophobicContact CD1-CD2 4.24Å
267P95.7Very high95.8Very high31 Ų3142.9 Ų42.920%0.20124%0.243CC..PPolyproline II helixtrans-63156.9176.326.3-34.8000112Y175 Y271Y175-P267 HydrophobicContact CD1-CG 4.44Å; Y175-P267 HydrophobicContact CE1-CG 3.87Å; Y175-P267 HydrophobicContact CE2-CG 4.07Å; P267-Y271 VanDerWaalsContact CD-OH 3.24Å; P267-Y271 WeakPolarHBondContact CD-OH 3.46Å; P267-Y271 WeakPolarHBondContact O-CE2 3.15Å; P267-Y271 PolarHBondContact O-OH 2.69Å
268S95Very high95.7Very high55 Ų5544.6 Ų44.639%0.38525%0.246SC..SBendtrans-58.7145.9166.855.40000110.9V99 S102 Y175V99-S268 CarbonylContact O-C 3.52Å; V99-S268 VanDerWaalsContact O-CA 3.22Å; V99-S268 WeakPolarHBondContact O-CA 3.5Å; V99-S268 WeakPolarHBondContact O-CB 3.08Å; S102-S268 PolarHBondContact OG-N 3.4Å; Y175-S268 PolarHBondContact OH-O 3.22Å
269G94.3Very high95.9Very high22 Ų2242.1 Ų42.123%0.22723%0.234CC..EExtended strand (participates in β ladder)trans145.1-167.1177.300000112.7V99V99-G269 PolarHBondContact N-O 3.13Å; V99-G269 PolarHBondContact O-N 2.99Å
270T96.3Very high95.9Very high48 Ų4839.1 Ų39.129%0.29423%0.228SC..EExtended strand (participates in β ladder)trans-95.4133.7-177-53.70000110.1I97 I176I97-T270 WeakPolarHBondContact O-CA 3.22Å; I176-T270 HydrophobicContact CD1-CG2 4.09Å; I176-T270 PolarHBondContact N-O 3.33Å
271Y97.1Very high96.1Very high0 Ų033.4 Ų33.40%020%0.197CC..EExtended strand (participates in β ladder)trans-119139.4173.7-66.6-98.8000110.3H96 I97 V99 L173 T174 Y175 V185 L266 P267H96-Y271 WeakPolarHBondContact CA-O 3.38Å; I97-Y271 PolarHBondContact N-O 3.28Å; I97-Y271 PolarHBondContact O-N 3.36Å; V99-Y271 HydrophobicContact CB-CD2 4.19Å; V99-Y271 HydrophobicContact CB-CE2 3.99Å; V99-Y271 HydrophobicContact CG2-CD2 3.65Å; V99-Y271 HydrophobicContact CG2-CE2 3.78Å; L173-Y271 HydrophobicContact CD1-CD1 4.01Å; L173-Y271 HydrophobicContact CD1-CG 4.32Å; L173-Y271 HydrophobicContact CD2-CD1 4.25Å; L173-Y271 HydrophobicContact CG-CD1 4.01Å; T174-Y271 CarbonylContact O-C 3.58Å; T174-Y271 VanDerWaalsContact O-CA 3.27Å; T174-Y271 WeakPolarHBondContact O-CA 3.3Å; Y175-Y271 HydrophobicContact CD2-CD1 4.08Å; Y175-Y271 HydrophobicContact CD2-CD2 4.27Å; Y175-Y271 AromaticContact CD2-CE1 3.56Å; Y175-Y271 HydrophobicContact CD2-CE1 3.56Å; Y175-Y271 AromaticContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CE2 3.76Å; Y175-Y271 HydrophobicContact CD2-CG 4.41Å; Y175-Y271 AromaticContact CD2-CZ 3.37Å; Y175-Y271 HydrophobicContact CE2-CE2 4.12Å; Y175-Y271 AromaticContact CE2-CZ 3.96Å; Y175-Y271 HydrophobicContact CG-CD1 4.5Å; Y175-Y271 AromaticContact CG-CE1 3.91Å; Y175-Y271 HydrophobicContact CG-CE1 3.91Å; V185-Y271 HydrophobicContact CG2-CD1 4.09Å; V185-Y271 HydrophobicContact CG2-CE1 3.85Å; L266-Y271 WeakPolarHBondContact CB-OH 2.93Å; L266-Y271 HydrophobicContact CD1-CE1 4.5Å; L266-Y271 HydrophobicContact CD2-CE1 4.1Å; P267-Y271 VanDerWaalsContact CD-OH 3.24Å; P267-Y271 WeakPolarHBondContact CD-OH 3.46Å; P267-Y271 WeakPolarHBondContact O-CE2 3.15Å; P267-Y271 PolarHBondContact O-OH 2.69Å
272E97.1Very high96.1Very high31 Ų3133.8 Ų33.815%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-100.9129169.7-177.6-178.972.600108.4V94 H96 T174 I176 K182 V274V94-E272 HydrophobicContact CG1-CG 3.5Å; H96-E272 IonicContact NE2-OE2 3.52Å; T174-E272 PolarHBondContact N-O 2.95Å; T174-E272 PolarHBondContact O-N 3.09Å; I176-E272 HydrophobicContact CD1-CB 4.46Å; K182-E272 IonicContact NZ-OE1 2.86Å; K182-E272 PolarHBondContact NZ-OE1 2.85Å; K182-E272 IonicContact NZ-OE2 2.76Å; K182-E272 PolarHBondContact NZ-OE2 3.32Å; E272-V274 HydrophobicContact CG-CG2 4.47Å
273I97.3Very high96Very high0 Ų038.4 Ų38.40%024%0.235CC..EExtended strand (participates in β ladder)trans-113.3107.8178.5-49.3163.6000106.9V67 V94 K95 I97 I172 L173 I275 F290V67-I273 HydrophobicContact CB-CD1 4.49Å; V67-I273 HydrophobicContact CG2-CD1 4.01Å; V94-I273 WeakPolarHBondContact CA-O 3.49Å; K95-I273 HydrophobicContact CB-CB 4.47Å; K95-I273 PolarHBondContact N-O 3.3Å; K95-I273 PolarHBondContact O-N 2.72Å; I97-I273 HydrophobicContact CB-CD1 4.45Å; I97-I273 HydrophobicContact CG2-CD1 3.94Å; I97-I273 HydrophobicContact CG2-CG1 4.37Å; I172-I273 WeakPolarHBondContact O-CA 3.36Å; L173-I273 HydrophobicContact CD1-CG1 3.7Å; I273-I275 HydrophobicContact CG2-CD1 4.14Å; I273-I275 HydrophobicContact CG2-CG1 3.72Å; I273-F290 HydrophobicContact CD1-CD1 3.59Å; I273-F290 HydrophobicContact CD1-CE1 3.62Å; I273-F290 HydrophobicContact CD1-CG 4.36Å; I273-F290 HydrophobicContact CD1-CZ 4.42Å; I273-F290 HydrophobicContact CG1-CD1 4.46Å; I273-F290 HydrophobicContact CG1-CE1 4.1Å; I273-F290 HydrophobicContact CG1-CZ 4.48Å; I273-F290 HydrophobicContact CG2-CD1 4.49Å; I273-F290 HydrophobicContact CG2-CD2 4.23Å; I273-F290 HydrophobicContact CG2-CE1 4.37Å; I273-F290 HydrophobicContact CG2-CE2 4.09Å; I273-F290 HydrophobicContact CG2-CG 4.4Å; I273-F290 HydrophobicContact CG2-CZ 4.18Å
274V97.6Very high96Very high31 Ų3139.6 Ų39.619%0.18823%0.231CC..EExtended strand (participates in β ladder)trans-89120.8170.7-1770000108V92 V94 F171 I172 E272V92-V274 HydrophobicContact CG1-CG1 3.55Å; V94-V274 HydrophobicContact CG2-CG2 4.3Å; F171-V274 WeakPolarHBondContact CA-O 3.45Å; I172-V274 HydrophobicContact CB-CB 4.22Å; I172-V274 PolarHBondContact N-O 2.76Å; I172-V274 PolarHBondContact O-N 2.89Å; E272-V274 HydrophobicContact CG-CG2 4.47Å
275I98.2Very high96Very high0 Ų035 Ų350%022%0.219CC..EExtended strand (participates in β ladder)trans-116.3116-173.8-49.3177.4000108.3Y69 V92 C93 K95 T170 F171 I273 Y277Y69-I275 HydrophobicContact CD1-CD1 4.19Å; Y69-I275 HydrophobicContact CD2-CD1 3.77Å; Y69-I275 HydrophobicContact CD2-CG2 3.81Å; Y69-I275 HydrophobicContact CE2-CG2 3.72Å; Y69-I275 HydrophobicContact CG-CD1 3.58Å; V92-I275 WeakPolarHBondContact CA-O 3.43Å; C93-I275 PolarHBondContact N-O 3.49Å; C93-I275 PolarHBondContact O-N 3.39Å; K95-I275 HydrophobicContact CG-CD1 4.26Å; T170-I275 WeakPolarHBondContact O-CA 3.46Å; F171-I275 HydrophobicContact CD1-CB 4.44Å; F171-I275 HydrophobicContact CD1-CG1 4.06Å; F171-I275 HydrophobicContact CD1-CG2 4Å; F171-I275 HydrophobicContact CE1-CG1 4.43Å; F171-I275 HydrophobicContact CE1-CG2 3.84Å; I273-I275 HydrophobicContact CG2-CD1 4.14Å; I273-I275 HydrophobicContact CG2-CG1 3.72Å; I275-Y277 PolarHBondContact O-N 3.31Å
276N97.4Very high96.1Very high39 Ų3935 Ų3521%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-82.5105.8166.7-57.9-54.3000107.8V92 D169 T170 F278V92-N276 VanDerWaalsContact CG2-OD1 3.3Å; V92-N276 WeakPolarHBondContact CG2-OD1 3.33Å; D169-N276 VanDerWaalsContact CA-O 3.29Å; D169-N276 WeakPolarHBondContact CA-O 3.33Å; D169-N276 WeakPolarHBondContact CB-O 3.17Å; T170-N276 PolarHBondContact N-O 2.73Å; T170-N276 PolarHBondContact O-N 3.06Å; T170-N276 VanDerWaalsContact OG1-CB 3.31Å; T170-N276 WeakPolarHBondContact OG1-CB 3.17Å; T170-N276 PolarHBondContact OG1-ND2 3.18Å; N276-F278 HydrophobicContact CB-CD2 4.03Å; N276-F278 HydrophobicContact CB-CE2 3.53Å; N276-F278 HydrophobicContact CB-CZ 4.28Å; N276-F278 PolarHBondContact O-N 3.3Å
277Y97.4Very high96.2Very high1 Ų140.2 Ų40.20%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-89.9105.6-171-166.2-71.6000108.9Y69 T70 C72 C81 I85 C91 I275 K288Y69-Y277 HydrophobicContact CD2-CD2 4.01Å; Y69-Y277 HydrophobicContact CD2-CE2 4.09Å; Y69-Y277 HydrophobicContact CE2-CD2 4.17Å; Y69-Y277 HydrophobicContact CE2-CE2 4.29Å; Y69-Y277 WeakPolarHBondContact O-CE2 3.22Å; T70-Y277 PolarHBondContact O-OH 2.62Å; T70-Y277 VanDerWaalsContact O-OH 3.04Å; C72-Y277 HydrophobicContact CB-CD2 4.45Å; C81-Y277 HydrophobicContact CB-CD1 3.73Å; C81-Y277 HydrophobicContact CB-CD2 3.93Å; C81-Y277 HydrophobicContact CB-CE1 4.16Å; C81-Y277 HydrophobicContact CB-CE2 4.33Å; C81-Y277 HydrophobicContact CB-CG 3.62Å; I85-Y277 HydrophobicContact CD1-CD1 3.92Å; I85-Y277 HydrophobicContact CD1-CE1 3.7Å; I85-Y277 HydrophobicContact CG1-CE1 4.45Å; I85-Y277 HydrophobicContact CG2-CD1 4.1Å; I85-Y277 WeakPolarHBondContact CG2-O 3.18Å; C91-Y277 PolarHBondContact O-N 2.72Å; I275-Y277 PolarHBondContact O-N 3.31Å; Y277-K288 VanDerWaalsContact CE1-NZ 3.28Å; Y277-K288 VanDerWaalsContact OH-CE 3.3Å; Y277-K288 WeakPolarHBondContact OH-CE 3.39Å
278F96.2Very high96.4Very high88 Ų8838.7 Ų38.739%0.38623%0.23SC..  trans-124.9-24.7-178.9-67.2-62.6000113.4P90 N168 D169 N276 P280P90-F278 HydrophobicContact CB-CE1 4.11Å; N168-F278 WeakPolarHBondContact OD1-CB 3.46Å; D169-F278 PolarHBondContact OD1-N 3.47Å; N276-F278 HydrophobicContact CB-CD2 4.03Å; N276-F278 HydrophobicContact CB-CE2 3.53Å; N276-F278 HydrophobicContact CB-CZ 4.28Å; N276-F278 PolarHBondContact O-N 3.3Å; F278-P280 VanDerWaalsContact O-CD 3.29Å; F278-P280 WeakPolarHBondContact O-CD 3.48Å
279Y96.7Very high96.5Very high15 Ų1539.3 Ų39.36%0.05923%0.225CC..  trans-88.9112.7-172.7-159-105.2000111.4L113 F116 S165 I166 F167 N168 D169 W240 V281 K288L113-Y279 HydrophobicContact CD1-CE1 3.96Å; L113-Y279 HydrophobicContact CD2-CD1 4.36Å; L113-Y279 HydrophobicContact CD2-CE1 4.38Å; F116-Y279 HydrophobicContact CE2-CE1 4.31Å; F116-Y279 WeakPolarHBondContact CE2-OH 3.49Å; F116-Y279 WeakPolarHBondContact CZ-OH 3.15Å; S165-Y279 VanDerWaalsContact O-CE2 3.22Å; S165-Y279 WeakPolarHBondContact O-CE2 3.32Å; S165-Y279 PolarHBondContact O-OH 3.25Å; I166-Y279 VanDerWaalsContact O-CE2 3.3Å; I166-Y279 WeakPolarHBondContact O-CE2 3.47Å; F167-Y279 AromaticContact CD2-CD1 3.83Å; F167-Y279 HydrophobicContact CD2-CD1 3.83Å; F167-Y279 HydrophobicContact CD2-CD2 4.29Å; F167-Y279 HydrophobicContact CD2-CE1 4.28Å; F167-Y279 AromaticContact CD2-CG 3.81Å; F167-Y279 HydrophobicContact CD2-CG 3.81Å; F167-Y279 HydrophobicContact CE2-CD1 4.29Å; F167-Y279 HydrophobicContact CE2-CG 4.31Å; N168-Y279 WeakPolarHBondContact OD1-CA 3.5Å; N168-Y279 WeakPolarHBondContact OD1-CB 3.47Å; N168-Y279 WeakPolarHBondContact OD1-CD2 3.3Å; N168-Y279 PolarHBondContact OD1-N 3.08Å; D169-Y279 WeakPolarHBondContact OD1-CB 3.25Å; D169-Y279 PolarHBondContact OD1-N 3.23Å; W240-Y279 WeakPolarHBondContact CH2-OH 3.4Å; Y279-V281 HydrophobicContact CD1-CG1 3.84Å; Y279-V281 HydrophobicContact CE1-CG1 4.21Å; Y279-K288 HydrophobicContact CD1-CD 4.49Å; Y279-K288 WeakPolarHBondContact O-CE 3.47Å; Y279-K288 PolarHBondContact O-NZ 3.32Å
280P96.2Very high96.7Very high67 Ų6738.3 Ų38.344%0.43522%0.215SC..  trans-79.6130.9-179.731.9-33.4000111.1I85 F278 F284I85-P280 HydrophobicContact CD1-CB 3.94Å; F278-P280 VanDerWaalsContact O-CD 3.29Å; F278-P280 WeakPolarHBondContact O-CD 3.48Å; P280-F284 WeakPolarHBondContact O-CE1 3.44Å
281V96.8Very high96.7Very high0 Ų036.2 Ų36.20%020%0.201CC..  trans-126-15.1175.9-610000114.2T70 L113 Y279 S283 F284 G285 G286 K288T70-V281 HydrophobicContact CG2-CG2 3.79Å; L113-V281 HydrophobicContact CD2-CG1 4.22Å; Y279-V281 HydrophobicContact CD1-CG1 3.84Å; Y279-V281 HydrophobicContact CE1-CG1 4.21Å; V281-S283 VanDerWaalsContact C-N 3.31Å; V281-S283 PolarHBondContact O-N 3.35Å; V281-F284 HydrophobicContact CB-CE1 4.39Å; V281-F284 HydrophobicContact CB-CE2 4.18Å; V281-F284 HydrophobicContact CB-CZ 3.81Å; V281-F284 HydrophobicContact CG1-CE2 4.43Å; V281-F284 HydrophobicContact CG1-CZ 3.81Å; V281-F284 PolarHBondContact O-N 2.68Å; V281-G285 PolarHBondContact O-N 3.38Å; V281-G286 WeakPolarHBondContact CG2-O 3.49Å; V281-G286 PolarHBondContact O-N 2.95Å; V281-K288 HydrophobicContact CB-CG 4.3Å; V281-K288 HydrophobicContact CG1-CD 3.78Å; V281-K288 HydrophobicContact CG1-CG 3.55Å; V281-K288 HydrophobicContact CG2-CD 4.24Å; V281-K288 HydrophobicContact CG2-CG 3.76Å
282T93.7Very high96.7Very high71 Ų7136.2 Ų36.244%0.43620%0.201SC..G310 helixtrans-65.2-33.7-173.748.40000112.6F284 G285T282-F284 PolarHBondContact O-N 2.92Å; T282-G285 PolarHBondContact O-N 3.23Å; T282-G285 VanDerWaalsContact O-N 3.11Å
283S92.9Very high96.7Very high104 Ų10434.8 Ų34.873%0.72720%0.195SC*.G310 helixtrans-61.8-23.9-178.756.60000114.3V281V281-S283 VanDerWaalsContact C-N 3.31Å; V281-S283 PolarHBondContact O-N 3.35Å
284F94.2Very high96.7Very high74 Ų7435.3 Ų35.333%0.32520%0.198SC..G310 helixtrans-119.616.5176.657.9-95.5000112.5N115 F116 P280 V281 T282 G286N115-F284 PolarHBondContact ND2-O 3.03Å; F116-F284 HydrophobicContact CB-CE2 4.46Å; F116-F284 AromaticContact CD2-CE2 3.92Å; F116-F284 HydrophobicContact CD2-CE2 3.92Å; F116-F284 AromaticContact CD2-CZ 3.68Å; F116-F284 HydrophobicContact CD2-CZ 3.68Å; F116-F284 HydrophobicContact CE2-CZ 4.2Å; P280-F284 WeakPolarHBondContact O-CE1 3.44Å; V281-F284 HydrophobicContact CB-CE1 4.39Å; V281-F284 HydrophobicContact CB-CE2 4.18Å; V281-F284 HydrophobicContact CB-CZ 3.81Å; V281-F284 HydrophobicContact CG1-CE2 4.43Å; V281-F284 HydrophobicContact CG1-CZ 3.81Å; V281-F284 PolarHBondContact O-N 2.68Å; T282-F284 PolarHBondContact O-N 2.92Å; F284-G286 PolarHBondContact O-N 3.42Å
285G96Very high96.5Very high53 Ų5335.4 Ų35.455%0.54620%0.202SC..THydrogen-bonded Turntrans63.226.9179.700000114.1V281 T282V281-G285 PolarHBondContact O-N 3.38Å; T282-G285 PolarHBondContact O-N 3.23Å; T282-G285 VanDerWaalsContact O-N 3.11Å
286G97.4Very high96.2Very high4 Ų436.7 Ų36.74%0.04121%0.211CC..  trans-79.3161.9174.400000112.7S114 V281 F284S114-G286 WeakPolarHBondContact O-CA 3.49Å; V281-G286 WeakPolarHBondContact CG2-O 3.49Å; V281-G286 PolarHBondContact O-N 2.95Å; F284-G286 PolarHBondContact O-N 3.42Å
287R98.1Very high96Very high110 Ų11044.1 Ų44.142%0.41524%0.236SC..EExtended strand (participates in β ladder)trans-125.9151.8173.1-51.2-162.679.5175.45.5110.8D68 T70 D71 L113 S114D68-R287 IonicContact OD1-NE 3.33Å; D68-R287 IonicContact OD1-NH2 3.57Å; D68-R287 IonicContact OD2-CZ 3.23Å; D68-R287 IonicContact OD2-NE 2.78Å; D68-R287 PolarHBondContact OD2-NE 2.81Å; D68-R287 VanDerWaalsContact OD2-NE 3.08Å; D68-R287 IonicContact OD2-NH1 3.22Å; D68-R287 IonicContact OD2-NH2 3.16Å; T70-R287 HydrophobicContact CG2-CB 4.49Å; T70-R287 VanDerWaalsContact OG1-CA 3.25Å; T70-R287 WeakPolarHBondContact OG1-CA 3.34Å; T70-R287 VanDerWaalsContact OG1-CB 3.3Å; T70-R287 WeakPolarHBondContact OG1-CB 3.35Å; D71-R287 IonicContact OD2-NH2 2.87Å; D71-R287 PolarHBondContact OD2-NH2 2.85Å; L113-R287 WeakPolarHBondContact CA-O 3.35Å; S114-R287 PolarHBondContact N-O 3.19Å; S114-R287 WeakPolarHBondContact OG-CA 3.34Å; S114-R287 WeakPolarHBondContact OG-CB 3.14Å; S114-R287 WeakPolarHBondContact OG-CG 3.26Å; S114-R287 PolarHBondContact OG-N 3.05Å
288K98.2Very high95.8Very high0 Ų046.8 Ų46.80%025%0.25CS..EExtended strand (participates in β ladder)trans-116.8132.7179.3-56.1-167.5-66.3-178.30110.7Y69 T70 G112 L113 F167 D169 Y277 Y279 V281Y69-K288 HydrophobicContact CD1-CB 4.25Å; Y69-K288 HydrophobicContact CD2-CB 4.35Å; Y69-K288 HydrophobicContact CE1-CB 3.7Å; Y69-K288 HydrophobicContact CE2-CB 3.82Å; Y69-K288 HydrophobicContact CE2-CD 4.04Å; Y69-K288 VanDerWaalsContact CE2-CE 3.48Å; Y69-K288 VanDerWaalsContact CZ-CB 3.44Å; Y69-K288 PolarHBondContact N-O 2.9Å; T70-K288 PolarHBondContact OG1-N 2.93Å; T70-K288 PolarHBondContact OG1-O 2.91Å; G112-K288 WeakPolarHBondContact O-CA 3.4Å; L113-K288 HydrophobicContact CD2-CD 4.43Å; L113-K288 HydrophobicContact CD2-CG 3.85Å; F167-K288 HydrophobicContact CE2-CD 4.39Å; D169-K288 IonicContact OD1-NZ 3.19Å; D169-K288 PolarHBondContact OD1-NZ 3.45Å; D169-K288 VanDerWaalsContact OD2-CD 3.31Å; D169-K288 WeakPolarHBondContact OD2-CD 3.26Å; D169-K288 WeakPolarHBondContact OD2-CE 3.49Å; D169-K288 IonicContact OD2-NZ 3.84Å; D169-K288 PolarHBondContact OD2-NZ 2.96Å; Y277-K288 VanDerWaalsContact CE1-NZ 3.28Å; Y277-K288 VanDerWaalsContact OH-CE 3.3Å; Y277-K288 WeakPolarHBondContact OH-CE 3.39Å; Y279-K288 HydrophobicContact CD1-CD 4.49Å; Y279-K288 WeakPolarHBondContact O-CE 3.47Å; Y279-K288 PolarHBondContact O-NZ 3.32Å; V281-K288 HydrophobicContact CB-CG 4.3Å; V281-K288 HydrophobicContact CG1-CD 3.78Å; V281-K288 HydrophobicContact CG1-CG 3.55Å; V281-K288 HydrophobicContact CG2-CD 4.24Å; V281-K288 HydrophobicContact CG2-CG 3.76Å
289K98Very high95.6Very high67 Ų6743.9 Ų43.929%0.29125%0.245SC..EExtended strand (participates in β ladder)trans-129.3133.5-176-60.7174.8175-166.30109.5L66 V67 Y69 Y111 G112 I291L66-K289 HydrophobicContact CD1-CD 3.96Å; L66-K289 HydrophobicContact CD2-CB 4.28Å; L66-K289 HydrophobicContact CD2-CD 3.91Å; L66-K289 HydrophobicContact CD2-CG 4.11Å; L66-K289 HydrophobicContact CG-CB 4.27Å; L66-K289 HydrophobicContact CG-CD 4.28Å; V67-K289 CarbonylContact O-C 3.5Å; V67-K289 WeakPolarHBondContact O-CA 3.36Å; Y69-K289 VanDerWaalsContact CE1-C 3.47Å; Y111-K289 CarbonylContact C-O 3.6Å; Y111-K289 WeakPolarHBondContact CA-O 3.48Å; G112-K289 PolarHBondContact N-O 3.03Å; G112-K289 PolarHBondContact O-N 3.17Å; K289-I291 HydrophobicContact CB-CG1 4.32Å
290F97.9Very high95.4Very high1 Ų144.9 Ų44.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-96.6130.4168175.1-90.4000107.6L66 V67 Y69 L109 F171 L173 I273 L292L66-F290 WeakPolarHBondContact CA-O 3.42Å; V67-F290 HydrophobicContact CB-CB 4.41Å; V67-F290 PolarHBondContact N-O 3.13Å; V67-F290 PolarHBondContact O-N 3.18Å; Y69-F290 HydrophobicContact CD1-CB 3.95Å; Y69-F290 HydrophobicContact CE1-CB 4.11Å; L109-F290 HydrophobicContact CD1-CE2 3.61Å; L109-F290 HydrophobicContact CD1-CZ 3.77Å; L109-F290 HydrophobicContact CD2-CD2 4.13Å; L109-F290 HydrophobicContact CD2-CE2 3.64Å; L109-F290 HydrophobicContact CD2-CZ 4.38Å; L109-F290 HydrophobicContact CG-CD2 4.46Å; L109-F290 HydrophobicContact CG-CE2 3.6Å; L109-F290 HydrophobicContact CG-CZ 3.84Å; F171-F290 HydrophobicContact CB-CD2 4.18Å; F171-F290 HydrophobicContact CB-CE2 3.74Å; F171-F290 AromaticContact CD1-CD2 3.48Å; F171-F290 HydrophobicContact CD1-CD2 3.48Å; F171-F290 VanDerWaalsContact CD1-CD2 3.48Å; F171-F290 AromaticContact CD1-CE2 3.95Å; F171-F290 HydrophobicContact CD1-CE2 3.95Å; F171-F290 HydrophobicContact CD2-CD2 4.12Å; F171-F290 HydrophobicContact CD2-CE2 4.25Å; F171-F290 HydrophobicContact CE1-CB 4.42Å; F171-F290 AromaticContact CE1-CD2 3.78Å; F171-F290 HydrophobicContact CE1-CD2 3.78Å; F171-F290 HydrophobicContact CE2-CD2 4.38Å; F171-F290 AromaticContact CG-CD2 3.66Å; F171-F290 HydrophobicContact CG-CD2 3.66Å; F171-F290 AromaticContact CG-CE2 3.72Å; F171-F290 HydrophobicContact CG-CE2 3.72Å; F171-F290 HydrophobicContact CZ-CD2 4.22Å; L173-F290 HydrophobicContact CD1-CZ 4.37Å; I273-F290 HydrophobicContact CD1-CD1 3.59Å; I273-F290 HydrophobicContact CD1-CE1 3.62Å; I273-F290 HydrophobicContact CD1-CG 4.36Å; I273-F290 HydrophobicContact CD1-CZ 4.42Å; I273-F290 HydrophobicContact CG1-CD1 4.46Å; I273-F290 HydrophobicContact CG1-CE1 4.1Å; I273-F290 HydrophobicContact CG1-CZ 4.48Å; I273-F290 HydrophobicContact CG2-CD1 4.49Å; I273-F290 HydrophobicContact CG2-CD2 4.23Å; I273-F290 HydrophobicContact CG2-CE1 4.37Å; I273-F290 HydrophobicContact CG2-CE2 4.09Å; I273-F290 HydrophobicContact CG2-CG 4.4Å; I273-F290 HydrophobicContact CG2-CZ 4.18Å; F290-L292 HydrophobicContact CD1-CG 4.48Å; F290-L292 HydrophobicContact CE1-CD1 3.71Å; F290-L292 HydrophobicContact CE1-CD2 4.15Å; F290-L292 HydrophobicContact CE1-CG 3.54Å; F290-L292 HydrophobicContact CZ-CD1 4.21Å; F290-L292 HydrophobicContact CZ-CD2 4.02Å; F290-L292 HydrophobicContact CZ-CG 3.95Å
291I97.4Very high95.2Very high4 Ų446.5 Ų46.52%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-132.6125.1-171.9-52.3166.6000109.1E64 Y65 L66 L109 Y110 R250 K289E64-I291 HydrophobicContact CG-CG2 3.79Å; Y65-I291 VanDerWaalsContact O-CA 3.31Å; Y65-I291 WeakPolarHBondContact O-CA 3.41Å; L66-I291 HydrophobicContact CD1-CD1 4.24Å; L66-I291 HydrophobicContact CD1-CG1 4.08Å; L66-I291 HydrophobicContact CG-CG1 4.07Å; L109-I291 WeakPolarHBondContact CA-O 3.45Å; Y110-I291 PolarHBondContact N-O 3.46Å; Y110-I291 PolarHBondContact O-N 3.49Å; R250-I291 HydrophobicContact CB-CD1 4.06Å; K289-I291 HydrophobicContact CB-CG1 4.32Å
292L96.8Very high95.1Very high0 Ų050.9 Ų50.90%028%0.283CS..EExtended strand (participates in β ladder)trans-108.8126.8167.2-69.3168.7000108.2E64 Y65 I103 V107 L109 L173 L266 F290E64-L292 WeakPolarHBondContact CA-O 3.4Å; Y65-L292 PolarHBondContact N-O 3.07Å; Y65-L292 PolarHBondContact O-N 2.72Å; I103-L292 HydrophobicContact CD1-CB 3.98Å; V107-L292 HydrophobicContact CG1-CD2 4.49Å; L109-L292 HydrophobicContact CB-CD2 4.12Å; L109-L292 HydrophobicContact CD1-CD2 4.36Å; L109-L292 HydrophobicContact CG-CD2 4.07Å; L173-L292 HydrophobicContact CD1-CD1 4.35Å; L173-L292 HydrophobicContact CD2-CD1 3.84Å; L173-L292 HydrophobicContact CD2-CD2 4.13Å; L266-L292 HydrophobicContact CD1-CD1 3.91Å; L266-L292 HydrophobicContact CD1-CD2 4.24Å; F290-L292 HydrophobicContact CD1-CG 4.48Å; F290-L292 HydrophobicContact CE1-CD1 3.71Å; F290-L292 HydrophobicContact CE1-CD2 4.15Å; F290-L292 HydrophobicContact CE1-CG 3.54Å; F290-L292 HydrophobicContact CZ-CD1 4.21Å; F290-L292 HydrophobicContact CZ-CD2 4.02Å; F290-L292 HydrophobicContact CZ-CG 3.95Å
293A96.6Very high95.2Very high1 Ų149.7 Ų49.71%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-150.9149.2178.100000111.4V63 E64 Y108 Y110V63-A293 WeakPolarHBondContact O-CA 3.22Å; E64-A293 HydrophobicContact CB-CB 4Å; E64-A293 HydrophobicContact CG-CB 4.07Å; Y108-A293 PolarHBondContact N-O 3.14Å; Y108-A293 PolarHBondContact O-N 2.74Å; Y110-A293 HydrophobicContact CE2-CB 4.45Å
294N96.5Very high95.4Very high12 Ų1248.3 Ų48.36%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-81.9173.9158.868.9-37.4000110.6V62 V63 I103 P104 P106V62-N294 WeakPolarHBondContact CA-OD1 3.4Å; V62-N294 VanDerWaalsContact CG1-O 3.3Å; V62-N294 WeakPolarHBondContact CG1-O 3.46Å; V62-N294 WeakPolarHBondContact CG1-OD1 3.27Å; V63-N294 PolarHBondContact N-OD1 3.29Å; V63-N294 PolarHBondContact O-N 3.13Å; V63-N294 PolarHBondContact O-OD1 3.01Å; V63-N294 VanDerWaalsContact O-OD1 3.09Å; I103-N294 HydrophobicContact CG2-CB 3.91Å; P104-N294 WeakPolarHBondContact CG-ND2 3.43Å; P104-N294 WeakPolarHBondContact O-CB 3.38Å; P106-N294 WeakPolarHBondContact O-CA 3.48Å
295A93.7Very high95.5Very high33 Ų3349.2 Ų49.227%0.27327%0.272SS..  trans-125145.3172.800000110.5Y108Y108-A295 HydrophobicContact CD2-CB 4.1Å; Y108-A295 HydrophobicContact CE2-CB 3.63Å
296S93.4Very high95.5Very high26 Ų2646.8 Ų46.818%0.18225%0.247CC..BIsolated β-bridgetrans-96.2177.2165.872.70000110.1L298 G299S296-L298 PolarHBondContact O-N 3.39Å; S296-L298 WeakPolarHBondContact OG-CB 3.15Å; S296-L298 PolarHBondContact OG-N 3.47Å; S296-L298 VanDerWaalsContact OG-N 3.16Å; S296-G299 PolarHBondContact N-O 3.26Å; S296-G299 WeakPolarHBondContact O-CA 3.32Å; S296-G299 PolarHBondContact O-N 2.88Å; S296-G299 PolarHBondContact OG-O 3.49Å
297W93.4Very high95.6Very high195 Ų19550.1 Ų50.174%0.73926%0.263SS*.THydrogen-bonded Turntrans-62.8-19.1171.470.4-90.2000113.3L55 G299L55-W297 HydrophobicContact CD2-CH2 4Å; L55-W297 HydrophobicContact CD2-CZ2 4.21Å; W297-G299 VanDerWaalsContact C-N 3.3Å
298L92.8Very high95.6Very high57 Ų5749 Ų4930%0.29826%0.264SS..THydrogen-bonded Turntrans-80.6-9.1171.2-109.882.8000113.5L55 T58 S296L55-L298 HydrophobicContact CB-CD2 4.35Å; L55-L298 HydrophobicContact CD2-CD1 3.56Å; L55-L298 HydrophobicContact CD2-CD2 3.79Å; L55-L298 HydrophobicContact CD2-CG 4.21Å; T58-L298 HydrophobicContact CG2-CB 4.4Å; T58-L298 HydrophobicContact CG2-CD1 4.21Å; S296-L298 PolarHBondContact O-N 3.39Å; S296-L298 WeakPolarHBondContact OG-CB 3.15Å; S296-L298 PolarHBondContact OG-N 3.47Å; S296-L298 VanDerWaalsContact OG-N 3.16Å
299G92.3Very high95.6Very high28 Ų2849.9 Ų49.929%0.28927%0.27SS..BIsolated β-bridgetrans95.7-145.2-16500000112.1S296 W297S296-G299 PolarHBondContact N-O 3.26Å; S296-G299 WeakPolarHBondContact O-CA 3.32Å; S296-G299 PolarHBondContact O-N 2.88Å; S296-G299 PolarHBondContact OG-O 3.49Å; W297-G299 VanDerWaalsContact C-N 3.3Å
300G91.5Very high95.6Very high35 Ų3548.7 Ų48.736%0.36127%0.267SS..SBendtrans-79.2-175.5-177.800000114.3N302G300-N302 PolarHBondContact O-N 3.19Å; G300-N302 VanDerWaalsContact O-N 3.12Å
301K92.9Very high95.6Very high102 Ų10253.1 Ų53.144%0.44329%0.289SS..SBendtrans-66109.1179.9-172.2170.4-171.1164.50111V62V62-K301 HydrophobicContact CB-CB 4.03Å; V62-K301 HydrophobicContact CG1-CB 3.9Å
302N94.9Very high95.6Very high91 Ų9155.3 Ų55.349%0.48730%0.303SS..  trans-151.899.4174-174-10.1000110.5S59 G300 T304S59-N302 WeakPolarHBondContact OG-CA 3.43Å; S59-N302 PolarHBondContact OG-N 2.97Å; S59-N302 PolarHBondContact OG-O 3.35Å; G300-N302 PolarHBondContact O-N 3.19Å; G300-N302 VanDerWaalsContact O-N 3.12Å; N302-T304 PolarHBondContact O-N 3.31Å; N302-T304 WeakPolarHBondContact OD1-CB 3.48Å; N302-T304 PolarHBondContact OD1-N 2.73Å; N302-T304 VanDerWaalsContact OD1-N 3.14Å; N302-T304 PolarHBondContact OD1-OG1 2.86Å
303P95.5Very high95.7Very high46 Ų4655.3 Ų55.330%0.29930%0.303SS..  trans-78.7-9.6-175.531.7-36000113L56 L305 G306 I307L56-P303 HydrophobicContact CD1-CB 3.64Å; P303-L305 VanDerWaalsContact C-N 3.34Å; P303-L305 PolarHBondContact O-N 2.89Å; P303-G306 PolarHBondContact O-N 3.07Å; P303-G306 VanDerWaalsContact O-N 3.16Å; P303-I307 HydrophobicContact CB-CD1 3.95Å; P303-I307 HydrophobicContact CB-CG1 4.47Å; P303-I307 HydrophobicContact CG-CD1 4.28Å; P303-I307 WeakPolarHBondContact O-CG1 3.35Å; P303-I307 PolarHBondContact O-N 2.93Å
304T96.6Very high95.8Very high76 Ų7658 Ų5847%0.46632%0.322SS..Hα-helixtrans-55-45.9-171.1-50.70000112.7N302 I307 I308N302-T304 PolarHBondContact O-N 3.31Å; N302-T304 WeakPolarHBondContact OD1-CB 3.48Å; N302-T304 PolarHBondContact OD1-N 2.73Å; N302-T304 VanDerWaalsContact OD1-N 3.14Å; N302-T304 PolarHBondContact OD1-OG1 2.86Å; T304-I307 PolarHBondContact O-N 3.28Å; T304-I308 HydrophobicContact CG2-CD1 3.78Å; T304-I308 HydrophobicContact CG2-CG1 4.4Å; T304-I308 WeakPolarHBondContact O-CB 3.43Å; T304-I308 VanDerWaalsContact O-CG1 3.28Å; T304-I308 WeakPolarHBondContact O-CG1 3.41Å; T304-I308 PolarHBondContact O-N 3.02Å
305L95.6Very high95.9Very high93 Ų9361.7 Ų61.749%0.48734%0.341SS..Hα-helixtrans-64.7-44.7-178.7-174.665.3000111.5L55 P303 I308 C309L55-L305 HydrophobicContact CD1-CD2 3.98Å; L55-L305 HydrophobicContact CD1-CG 3.97Å; P303-L305 VanDerWaalsContact C-N 3.34Å; P303-L305 PolarHBondContact O-N 2.89Å; L305-I308 PolarHBondContact O-N 2.96Å; L305-C309 PolarHBondContact O-N 3.06Å; L305-C309 PolarHBondContact O-SG 2.94Å; L305-C309 VanDerWaalsContact O-SG 3.39Å
306G97.3Very high96.1Very high1 Ų162.2 Ų62.21%0.0134%0.337CS..Hα-helixtrans-60.4-46.2175.700000112P303 I308 C309 L310P303-G306 PolarHBondContact O-N 3.07Å; P303-G306 VanDerWaalsContact O-N 3.16Å; G306-I308 PolarHBondContact O-N 3.47Å; G306-C309 PolarHBondContact O-N 3.41Å; G306-L310 WeakPolarHBondContact O-CG 3.37Å; G306-L310 PolarHBondContact O-N 2.95Å
307I98Very high96.3Very high74 Ų7463.1 Ų63.138%0.37934%0.34SS..Hα-helixtrans-60.6-46.1177.2-66.7168.1000111.2L56 P303 T304 C309 L310 I311L56-I307 HydrophobicContact CD1-CG1 4.33Å; P303-I307 HydrophobicContact CB-CD1 3.95Å; P303-I307 HydrophobicContact CB-CG1 4.47Å; P303-I307 HydrophobicContact CG-CD1 4.28Å; P303-I307 WeakPolarHBondContact O-CG1 3.35Å; P303-I307 PolarHBondContact O-N 2.93Å; T304-I307 PolarHBondContact O-N 3.28Å; I307-C309 VanDerWaalsContact C-N 3.33Å; I307-C309 PolarHBondContact O-N 3.42Å; I307-L310 PolarHBondContact O-N 3.19Å; I307-I311 HydrophobicContact CG2-CD1 3.64Å; I307-I311 HydrophobicContact CG2-CG1 4.27Å; I307-I311 WeakPolarHBondContact O-CG1 3.32Å; I307-I311 PolarHBondContact O-N 3.1Å
308I98Very high96.5Very high87 Ų8757.9 Ų57.945%0.44633%0.332SS..Hα-helixtrans-62.1-41178.3-70.6170.6000111.1T304 L305 G306 T312T304-I308 HydrophobicContact CG2-CD1 3.78Å; T304-I308 HydrophobicContact CG2-CG1 4.4Å; T304-I308 WeakPolarHBondContact O-CB 3.43Å; T304-I308 VanDerWaalsContact O-CG1 3.28Å; T304-I308 WeakPolarHBondContact O-CG1 3.41Å; T304-I308 PolarHBondContact O-N 3.02Å; L305-I308 PolarHBondContact O-N 2.96Å; G306-I308 PolarHBondContact O-N 3.47Å; I308-T312 WeakPolarHBondContact O-CB 3.45Å; I308-T312 PolarHBondContact O-N 2.91Å; I308-T312 PolarHBondContact O-OG1 3.15Å
309C97.9Very high96.7Very high18 Ų1858.8 Ų58.812%0.12234%0.337CS..Hα-helixtrans-62-42.2175.1-74.10000111.9L305 G306 I307 G313L305-C309 PolarHBondContact O-N 3.06Å; L305-C309 PolarHBondContact O-SG 2.94Å; L305-C309 VanDerWaalsContact O-SG 3.39Å; G306-C309 PolarHBondContact O-N 3.41Å; I307-C309 VanDerWaalsContact C-N 3.33Å; I307-C309 PolarHBondContact O-N 3.42Å; C309-G313 WeakPolarHBondContact O-CA 3.27Å; C309-G313 PolarHBondContact O-N 3.48Å
310L98.3Very high96.9Very high42 Ų4257.5 Ų57.522%0.2232%0.323CS..Hα-helixtrans-66.3-45.8177.6-68.6173.7000112.5I49 I53 L56 G306 I307 G313 S314I49-L310 HydrophobicContact CG2-CD2 4.21Å; I53-L310 HydrophobicContact CG1-CD2 3.86Å; L56-L310 HydrophobicContact CD2-CD1 3.82Å; G306-L310 WeakPolarHBondContact O-CG 3.37Å; G306-L310 PolarHBondContact O-N 2.95Å; I307-L310 PolarHBondContact O-N 3.19Å; L310-G313 PolarHBondContact O-N 3.23Å; L310-S314 WeakPolarHBondContact O-CB 3.13Å; L310-S314 PolarHBondContact O-N 3.44Å; L310-S314 PolarHBondContact O-OG 3.37Å
311I98.4Very high97.2Very high94 Ų9460.3 Ų60.348%0.48233%0.329SS..Hα-helixtrans-62.8-51.9177.7-68.1171.3000109.7I307 G313 S314 I315I307-I311 HydrophobicContact CG2-CD1 3.64Å; I307-I311 HydrophobicContact CG2-CG1 4.27Å; I307-I311 WeakPolarHBondContact O-CG1 3.32Å; I307-I311 PolarHBondContact O-N 3.1Å; I311-G313 VanDerWaalsContact C-N 3.34Å; I311-G313 PolarHBondContact O-N 3.01Å; I311-S314 PolarHBondContact O-N 3.49Å; I311-I315 HydrophobicContact CG2-CD1 3.82Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 3.11Å
312T98.2Very high97.3Very high50 Ų5057.9 Ų57.931%0.30733%0.328SS..Hα-helixtrans-59.4-46.5179.3-56.20000110.7L48 I308 S314 I315 H316L48-T312 HydrophobicContact CD1-CG2 3.9Å; I308-T312 WeakPolarHBondContact O-CB 3.45Å; I308-T312 PolarHBondContact O-N 2.91Å; I308-T312 PolarHBondContact O-OG1 3.15Å; T312-S314 VanDerWaalsContact C-N 3.35Å; T312-S314 PolarHBondContact O-N 3.43Å; T312-I315 PolarHBondContact O-N 3.46Å; T312-H316 WeakPolarHBondContact CG2-CE1 3.49Å; T312-H316 WeakPolarHBondContact CG2-ND1 3.48Å; T312-H316 PolarHBondContact O-N 2.03Å; T312-H316 PolarHBondContact O-ND1 3.45Å
313G98.4Very high97.3Very high0 Ų057.1 Ų57.10%032%0.321CS..Hα-helixtrans-59.7-42.9177.600000112.7G45 C309 L310 I311 H316 I317G45-G313 WeakPolarHBondContact CA-O 3.5Å; C309-G313 WeakPolarHBondContact O-CA 3.27Å; C309-G313 PolarHBondContact O-N 3.48Å; L310-G313 PolarHBondContact O-N 3.23Å; I311-G313 VanDerWaalsContact C-N 3.34Å; I311-G313 PolarHBondContact O-N 3.01Å; G313-H316 WeakPolarHBondContact O-CB 3.04Å; G313-H316 PolarHBondContact O-N 3.13Å; G313-I317 WeakPolarHBondContact O-CG1 3.28Å; G313-I317 PolarHBondContact O-N 2.78Å
314S98Very high97.2Very high58 Ų5857.1 Ų57.141%0.40632%0.318SS..Hα-helixtrans-64-45.1176.9-56.70000111.9L310 I311 T312 H316 I317 C318L310-S314 WeakPolarHBondContact O-CB 3.13Å; L310-S314 PolarHBondContact O-N 3.44Å; L310-S314 PolarHBondContact O-OG 3.37Å; I311-S314 PolarHBondContact O-N 3.49Å; T312-S314 VanDerWaalsContact C-N 3.35Å; T312-S314 PolarHBondContact O-N 3.43Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 2.87Å; S314-I317 PolarHBondContact O-N 3.28Å; S314-C318 PolarHBondContact O-N 2.71Å; S314-C318 PolarHBondContact O-SG 3.4Å; S314-C318 VanDerWaalsContact O-SG 3.35Å
315I98.3Very high97.1Very high90 Ų9056.9 Ų56.946%0.46232%0.316SS..Hα-helixtrans-58.8-42.2174.7-68.4168.4000110.5I311 T312 C318 L319I311-I315 HydrophobicContact CG2-CD1 3.82Å; I311-I315 WeakPolarHBondContact O-CG1 3.38Å; I311-I315 PolarHBondContact O-N 3.11Å; T312-I315 PolarHBondContact O-N 3.46Å; I315-C318 PolarHBondContact O-N 2.84Å; I315-L319 HydrophobicContact CG2-CD1 3.86Å; I315-L319 HydrophobicContact CG2-CG 4.29Å; I315-L319 WeakPolarHBondContact O-CB 3.49Å; I315-L319 WeakPolarHBondContact O-CG 3.36Å; I315-L319 PolarHBondContact O-N 3.24Å
316H98.2Very high96.9Very high43 Ų4355.7 Ų55.720%0.19931%0.312CS..Hα-helixtrans-64.3-39.7178.1-79.267.3000112.3F41 T312 G313 S314 G320F41-H316 WeakPolarHBondContact CB-O 3.34Å; F41-H316 AromaticContact CD1-CD2 3.6Å; F41-H316 WeakPolarHBondContact O-CB 3.15Å; T312-H316 WeakPolarHBondContact CG2-CE1 3.49Å; T312-H316 WeakPolarHBondContact CG2-ND1 3.48Å; T312-H316 PolarHBondContact O-N 2.03Å; T312-H316 PolarHBondContact O-ND1 3.45Å; G313-H316 WeakPolarHBondContact O-CB 3.04Å; G313-H316 PolarHBondContact O-N 3.13Å; S314-H316 VanDerWaalsContact C-N 3.28Å; S314-H316 PolarHBondContact O-N 2.87Å; H316-G320 PolarHBondContact O-N 3.43Å
317I97.6Very high96.6Very high45 Ų4558.2 Ų58.223%0.23132%0.324CS..Hα-helixtrans-64.6-46.6173.4-66.1-171.3000110.8I46 I49 G313 S314 L319 G320 I321I46-I317 HydrophobicContact CG1-CD1 4.47Å; I49-I317 HydrophobicContact CD1-CD1 3.39Å; I49-I317 HydrophobicContact CD1-CG1 4.29Å; G313-I317 WeakPolarHBondContact O-CG1 3.28Å; G313-I317 PolarHBondContact O-N 2.78Å; S314-I317 PolarHBondContact O-N 3.28Å; I317-L319 PolarHBondContact O-N 2.87Å; I317-G320 PolarHBondContact O-N 2.84Å; I317-I321 HydrophobicContact CG2-CD1 3.74Å; I317-I321 HydrophobicContact CG2-CG1 4.34Å; I317-I321 WeakPolarHBondContact O-CG1 3.34Å; I317-I321 PolarHBondContact O-N 3.04Å
318C97.7Very high96.3Very high86 Ų8662.1 Ų62.158%0.58134%0.338SS*.Hα-helixtrans-59.1-46.6178.4-68.10000112.1S314 I315 I321 A322S314-C318 PolarHBondContact O-N 2.71Å; S314-C318 PolarHBondContact O-SG 3.4Å; S314-C318 VanDerWaalsContact O-SG 3.35Å; I315-C318 PolarHBondContact O-N 2.84Å; C318-I321 PolarHBondContact O-N 3.14Å; C318-A322 WeakPolarHBondContact O-CB 3.38Å; C318-A322 PolarHBondContact O-N 3.4Å
319L97.4Very high96Very high76 Ų7663.9 Ų63.940%0.39835%0.348SS..Hα-helixtrans-64.3-41.5175.3-70.5174.9000111.6I315 I317 I321 A322 F323I315-L319 HydrophobicContact CG2-CD1 3.86Å; I315-L319 HydrophobicContact CG2-CG 4.29Å; I315-L319 WeakPolarHBondContact O-CB 3.49Å; I315-L319 WeakPolarHBondContact O-CG 3.36Å; I315-L319 PolarHBondContact O-N 3.24Å; I317-L319 PolarHBondContact O-N 2.87Å; L319-I321 PolarHBondContact O-N 3.26Å; L319-A322 PolarHBondContact O-N 3.13Å; L319-F323 WeakPolarHBondContact O-CD2 3.48Å; L319-F323 PolarHBondContact O-N 3.37Å
320G97.1Very high95.5Very high0 Ų069.3 Ų69.30%037%0.367CS..Hα-helixtrans-56-50.2175.600000112.2H316 I317 F323 L324H316-G320 PolarHBondContact O-N 3.43Å; I317-G320 PolarHBondContact O-N 2.84Å; G320-F323 PolarHBondContact O-N 3.08Å; G320-L324 VanDerWaalsContact O-CG 3.27Å; G320-L324 WeakPolarHBondContact O-CG 3.1Å; G320-L324 PolarHBondContact O-N 3.46Å
321I96Very high94.3Very high95 Ų9569.2 Ų69.249%0.48738%0.376SS..Hα-helixtrans-61.2-46.7175.5-65.7167.4000110.6I317 C318 L319 F323 L324 V325I317-I321 HydrophobicContact CG2-CD1 3.74Å; I317-I321 HydrophobicContact CG2-CG1 4.34Å; I317-I321 WeakPolarHBondContact O-CG1 3.34Å; I317-I321 PolarHBondContact O-N 3.04Å; C318-I321 PolarHBondContact O-N 3.14Å; L319-I321 PolarHBondContact O-N 3.26Å; I321-F323 PolarHBondContact O-N 2.93Å; I321-L324 PolarHBondContact O-N 3.15Å; I321-V325 HydrophobicContact CG2-CG2 4.27Å; I321-V325 WeakPolarHBondContact O-CG2 3.33Å; I321-V325 PolarHBondContact O-N 3.2Å
322A95.9Very high92.7Very high51 Ų5174.1 Ų74.142%0.42139%0.394SS..Hα-helixtrans-59.2-45.3179.500000112.4C318 L319 L324 V325 V326C318-A322 WeakPolarHBondContact O-CB 3.38Å; C318-A322 PolarHBondContact O-N 3.4Å; L319-A322 PolarHBondContact O-N 3.13Å; A322-L324 VanDerWaalsContact C-N 3.35Å; A322-L324 PolarHBondContact O-N 2.95Å; A322-V325 PolarHBondContact O-N 2.87Å; A322-V326 WeakPolarHBondContact O-CG2 3.32Å; A322-V326 PolarHBondContact O-N 3.16Å
323F95.7Very high90.9Very high75 Ų7580.5 Ų80.533%0.32941%0.412SS..Hα-helixtrans-64.5-37.7175.9-82.1-63.3000112.7A34 F41 L319 G320 I321 H327A34-F323 HydrophobicContact CB-CD1 4.34Å; F41-F323 AromaticContact CD2-CD2 3.63Å; F41-F323 HydrophobicContact CD2-CD2 3.63Å; F41-F323 AromaticContact CD2-CE2 3.7Å; F41-F323 HydrophobicContact CD2-CE2 3.7Å; F41-F323 AromaticContact CE2-CD2 3.85Å; F41-F323 HydrophobicContact CE2-CD2 3.85Å; F41-F323 AromaticContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CE2 3.41Å; F41-F323 VanDerWaalsContact CE2-CE2 3.41Å; F41-F323 HydrophobicContact CE2-CZ 4.28Å; F41-F323 HydrophobicContact CZ-CE2 4.44Å; L319-F323 WeakPolarHBondContact O-CD2 3.48Å; L319-F323 PolarHBondContact O-N 3.37Å; G320-F323 PolarHBondContact O-N 3.08Å; I321-F323 PolarHBondContact O-N 2.93Å; F323-H327 WeakPolarHBondContact O-CB 3.35Å; F323-H327 PolarHBondContact O-N 3.45Å
324L93.1Very high88.8Confident45 Ų4585.3 Ų85.324%0.23644%0.444CS..Hα-helixtrans-65.9-43.3174.8-70.6173000111.2G320 I321 A322 H327 F328G320-L324 VanDerWaalsContact O-CG 3.27Å; G320-L324 WeakPolarHBondContact O-CG 3.1Å; G320-L324 PolarHBondContact O-N 3.46Å; I321-L324 PolarHBondContact O-N 3.15Å; A322-L324 VanDerWaalsContact C-N 3.35Å; A322-L324 PolarHBondContact O-N 2.95Å; L324-H327 WeakPolarHBondContact O-CB 3.13Å; L324-H327 PolarHBondContact O-N 2.87Å; L324-H327 VanDerWaalsContact O-N 3.16Å; L324-F328 HydrophobicContact CB-CE2 4.31Å; L324-F328 WeakPolarHBondContact O-CD2 3.47Å; L324-F328 PolarHBondContact O-N 3.49Å
325V93.3Very high86.9Confident72 Ų7287.6 Ų87.644%0.43647%0.466SS..Hα-helixtrans-58.5-49.2174.3169.80000110.7I321 A322 H327 F328 L329I321-V325 HydrophobicContact CG2-CG2 4.27Å; I321-V325 WeakPolarHBondContact O-CG2 3.33Å; I321-V325 PolarHBondContact O-N 3.2Å; A322-V325 PolarHBondContact O-N 2.87Å; V325-H327 VanDerWaalsContact C-N 3.28Å; V325-H327 PolarHBondContact O-N 2.9Å; V325-F328 PolarHBondContact O-N 3.16Å; V325-F328 VanDerWaalsContact O-N 3.15Å; V325-L329 HydrophobicContact CG1-CD1 3.76Å; V325-L329 HydrophobicContact CG1-CG 4.28Å; V325-L329 WeakPolarHBondContact O-CB 3.5Å; V325-L329 VanDerWaalsContact O-CG 3.32Å; V325-L329 WeakPolarHBondContact O-CG 3.2Å; V325-L329 PolarHBondContact O-N 3.4Å
326V92.3Very high84.8Confident67 Ų6792 Ų9241%0.40648%0.482SS..Hα-helixtrans-58.8-41.4175.4170.10000111.2A322 L329 Y330A322-V326 WeakPolarHBondContact O-CG2 3.32Å; A322-V326 PolarHBondContact O-N 3.16Å; V326-L329 PolarHBondContact O-N 3.01Å; V326-Y330 HydrophobicContact CG1-CD2 4.02Å; V326-Y330 WeakPolarHBondContact O-CB 3.25Å; V326-Y330 PolarHBondContact O-N 3.26Å
327H91.3Very high82.6Confident55 Ų5592.7 Ų92.726%0.25549%0.491SS..Hα-helixtrans-63.6-40.8176.2179.157.6000112.3A34 F323 L324 V325 G331A34-H327 HydrophobicContact CB-CB 4.09Å; F323-H327 WeakPolarHBondContact O-CB 3.35Å; F323-H327 PolarHBondContact O-N 3.45Å; L324-H327 WeakPolarHBondContact O-CB 3.13Å; L324-H327 PolarHBondContact O-N 2.87Å; L324-H327 VanDerWaalsContact O-N 3.16Å; V325-H327 VanDerWaalsContact C-N 3.28Å; V325-H327 PolarHBondContact O-N 2.9Å; H327-G331 WeakPolarHBondContact O-CA 3.27Å; H327-G331 PolarHBondContact O-N 3.28Å
328F91.2Very high80.3Confident155 Ų15597.3 Ų97.368%0.6853%0.526SS*.Hα-helixtrans-70-37.2177.4-73.9-63.5000112.7L324 V325L324-F328 HydrophobicContact CB-CE2 4.31Å; L324-F328 WeakPolarHBondContact O-CD2 3.47Å; L324-F328 PolarHBondContact O-N 3.49Å; V325-F328 PolarHBondContact O-N 3.16Å; V325-F328 VanDerWaalsContact O-N 3.15Å
329L91.6Very high77.9Confident124 Ų12497.9 Ų97.965%0.64953%0.532SS*.Hα-helixtrans-74.9-41.9179.6-67.1176.8000113V325 V326V325-L329 HydrophobicContact CG1-CD1 3.76Å; V325-L329 HydrophobicContact CG1-CG 4.28Å; V325-L329 WeakPolarHBondContact O-CB 3.5Å; V325-L329 VanDerWaalsContact O-CG 3.32Å; V325-L329 WeakPolarHBondContact O-CG 3.2Å; V325-L329 PolarHBondContact O-N 3.4Å; V326-L329 PolarHBondContact O-N 3.01Å
330Y87Confident75.6Confident133 Ų13398.6 Ų98.652%0.52254%0.539SS..Hα-helixtrans-113.6-10.7-171.6-61.6-78.4000114.5V326 K332 R333V326-Y330 HydrophobicContact CG1-CD2 4.02Å; V326-Y330 WeakPolarHBondContact O-CB 3.25Å; V326-Y330 PolarHBondContact O-N 3.26Å; Y330-K332 PolarHBondContact O-N 2.92Å; Y330-R333 PolarHBondContact O-N 2.96Å
331G73.4Confident73.1Confident40 Ų40103.9 Ų103.941%0.41258%0.575SS.*THydrogen-bonded Turntrans-73.4-6.1-173.200000115.5H327H327-G331 WeakPolarHBondContact O-CA 3.27Å; H327-G331 PolarHBondContact O-N 3.28Å
332K64.8Low70.5Confident196 Ų196105.9 Ų105.985%0.85259%0.585SS**THydrogen-bonded Turntrans-89.22.4174.9-66-170.1-178.6-178.30114Y330Y330-K332 PolarHBondContact O-N 2.92Å
333R60.9Low68.1Low184 Ų184110.3 Ų110.369%0.69460%0.601SS**SBendtrans-67.4126.1172.8-68.4-176.1-177.9178.91108.6Y330 A335Y330-R333 PolarHBondContact O-N 2.96Å; R333-A335 PolarHBondContact O-N 3.43Å
334P53.7Low65.4Low102 Ų102116.9 Ų116.966%0.66262%0.623SS**  trans-54.6141.5174.922.2-30.9000108.8F336P334-F336 PolarHBondContact O-N 3.31Å
335A58Low62.9Low105 Ų105120.5 Ų120.587%0.86865%0.651SS**SBendtrans-62.48.5176.700000113.8R333R333-A335 PolarHBondContact O-N 3.43Å
336F55Low60.3Low182 Ų182121 Ų12180%0.79866%0.663SS**SBendtrans-103.8124.7174.2-81.3-80.5000110P334P334-F336 PolarHBondContact O-N 3.31Å
337P51.2Low57.6Low59 Ų59129 Ų12938%0.38370%0.703SS.*  trans-90.7128.6-176.733.6-28000109.3S339 V340P337-S339 PolarHBondContact O-N 2.93Å; P337-V340 HydrophobicContact CB-CB 4.39Å; P337-V340 HydrophobicContact CB-CG2 4.09Å; P337-V340 VanDerWaalsContact CB-N 3.33Å; P337-V340 HydrophobicContact CG-CB 3.5Å; P337-V340 VanDerWaalsContact CG-CB 3.5Å; P337-V340 HydrophobicContact CG-CG2 3.02Å
338S49Very low56Low141 Ų141132.8 Ų132.899%0.98673%0.726SS**THydrogen-bonded Turntrans-65.2-1.415144.10000111.8
339S48.8Very low54.1Low99 Ų99131.6 Ų131.669%0.69273%0.728SS**THydrogen-bonded Turntrans-12620.3-177.667.40000114.9P337 C341P337-S339 PolarHBondContact O-N 2.93Å; S339-C341 PolarHBondContact O-N 3.27Å
340V48.2Very low52Low90 Ų90132 Ų13255%0.54573%0.733SS.*  trans-68.7103.1157.6156.50000103.4P337 L342P337-V340 HydrophobicContact CB-CB 4.39Å; P337-V340 HydrophobicContact CB-CG2 4.09Å; P337-V340 VanDerWaalsContact CB-N 3.33Å; P337-V340 HydrophobicContact CG-CB 3.5Å; P337-V340 VanDerWaalsContact CG-CB 3.5Å; P337-V340 HydrophobicContact CG-CG2 3.02Å; V340-L342 HydrophobicContact CG1-CG 4.02Å; V340-L342 PolarHBondContact O-N 3.26Å
341C44.1Very low50Low111 Ų111131.9 Ų131.975%0.7575%0.745SS**  trans-56.889.4155.4-156.50000104.6S339 I343S339-C341 PolarHBondContact O-N 3.27Å; C341-I343 PolarHBondContact O-N 2.91Å
342L41.2Very low48.5Very low137 Ų137137.7 Ų137.772%0.71777%0.766SS**  trans-59.990.1163.6-92.6161.9000103.7V340 R344V340-L342 HydrophobicContact CG1-CG 4.02Å; V340-L342 PolarHBondContact O-N 3.26Å; L342-R344 PolarHBondContact O-N 3.16Å
343I46Very low47.4Very low144 Ų144133.8 Ų133.874%0.73876%0.76SS**  trans-62.387150.1-62.3175000103C341 C345C341-I343 PolarHBondContact O-N 2.91Å; I343-C345 VanDerWaalsContact C-N 3.33Å; I343-C345 PolarHBondContact O-N 2.87Å
344R38.9Very low46.5Very low214 Ų214130.2 Ų130.281%0.80877%0.765SS**  trans-55.7106.2160-90.5-178.1168.3-175.3-3.2104.5L342 A346L342-R344 PolarHBondContact O-N 3.16Å; R344-A346 PolarHBondContact O-N 2.55Å
345C40.9Very low45.9Very low121 Ų121132.4 Ų132.482%0.81877%0.773SS**  trans-62.695.8149.9-66.90000105.5I343I343-C345 VanDerWaalsContact C-N 3.33Å; I343-C345 PolarHBondContact O-N 2.87Å
346A38.1Very low44.9Very low83 Ų83134.7 Ų134.769%0.68677%0.765SS**  trans-83.3129158.300000106.5R344R344-A346 PolarHBondContact O-N 2.55Å
347N37.2Very low44Very low235 Ų235130.4 Ų130.4100%1.25776%0.762SS**  trans85.70-177-60.3-15.3000117.2

Retrieved 347 of 347 residues in 1611.1 ms (Link to these results)

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