A0A096N7J5_PAPAN Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A096N7J5, Species PAPAN (Papio anubis, Olive baboon), Gene CHST6, Length 395 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
1M41.7Very low64.3Low243 Ų243134.5 Ų134.5100%1.19770%0.699SS**  0101.60-85.2169.8165.900108.3
2W46.9Very low65.8Low262 Ų262129.3 Ų129.399%0.99268%0.677SS**  trans-97.2106.5175.5-116.849.4000107.3
3L51.8Low67.3Low157 Ų157123.9 Ų123.982%0.82266%0.663SS**  trans-76.5125.1169.6-81158000107.6R5L3-R5 PolarHBondContact O-N 2.98Å
4P57.7Low68.6Low106 Ų106122.9 Ų122.969%0.68866%0.656SS**  trans-64.5124.3177.425.1-30000108.8V6P4-V6 PolarHBondContact O-N 2.91Å
5R62Low69.7Low250 Ų250121.1 Ų121.194%0.94365%0.646SS**  trans-67.599.4170.9-80.6-178.1174.5172.5-1.7108L3 S7L3-R5 PolarHBondContact O-N 2.98Å; R5-S7 PolarHBondContact O-N 3.48Å
6V62.3Low70.9Confident97 Ų97121.4 Ų121.459%0.58865%0.647SS**  trans-67.3118.9170.5-175.60000107.4P4 A10 V11P4-V6 PolarHBondContact O-N 2.91Å; V6-A10 HydrophobicContact CG1-CB 4.08Å; V6-V11 HydrophobicContact CG1-CG2 3.73Å
7S75.3Confident71.8Confident64 Ų64117.8 Ų117.845%0.44864%0.638SS.*  trans-58.4138.7177.4174.70000110.5R5 T9 A10 V11R5-S7 PolarHBondContact O-N 3.48Å; S7-T9 PolarHBondContact O-N 3.38Å; S7-T9 PolarHBondContact OG-N 2.91Å; S7-T9 PolarHBondContact OG-OG1 2.63Å; S7-A10 WeakPolarHBondContact O-CB 3.29Å; S7-A10 PolarHBondContact O-N 2.82Å; S7-V11 PolarHBondContact O-N 3.34Å
8S72.1Confident72.7Confident94 Ų94117.9 Ų117.966%0.65763%0.634SS**Hα-helixtrans-51.9-31.9173.8-172.80000112.1V11 T12S8-V11 PolarHBondContact O-N 3.26Å; S8-T12 PolarHBondContact O-N 3.38Å; S8-T12 VanDerWaalsContact O-N 3.1Å; S8-T12 PolarHBondContact O-OG1 3.29Å
9T78.4Confident73.4Confident100 Ų100115.6 Ų115.661%0.61362%0.624SS**Hα-helixtrans-67.5-35.5177.457.50000112.9S7 T12 A13S7-T9 PolarHBondContact O-N 3.38Å; S7-T9 PolarHBondContact OG-N 2.91Å; S7-T9 PolarHBondContact OG-OG1 2.63Å; T9-T12 VanDerWaalsContact CA-OG1 3.29Å; T9-T12 WeakPolarHBondContact CA-OG1 3.5Å; T9-T12 PolarHBondContact O-OG1 3.44Å; T9-A13 WeakPolarHBondContact O-CB 3.35Å; T9-A13 PolarHBondContact O-N 3.45Å
10A78.6Confident74Confident39 Ų39117.6 Ų117.632%0.32263%0.627SS.*Hα-helixtrans-71.3-37.6177.700000111.3V6 S7 A13 L14V6-A10 HydrophobicContact CG1-CB 4.08Å; S7-A10 WeakPolarHBondContact O-CB 3.29Å; S7-A10 PolarHBondContact O-N 2.82Å; A10-A13 PolarHBondContact O-N 3.49Å; A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.42Å
11V80Confident74.4Confident68 Ų68117.2 Ų117.241%0.41263%0.625SS.*Hα-helixtrans-65.4-44.3175.3-178.60000110.8V6 S7 S8 A13 L14 L15V6-V11 HydrophobicContact CG1-CG2 3.73Å; S7-V11 PolarHBondContact O-N 3.34Å; S8-V11 PolarHBondContact O-N 3.26Å; V11-A13 PolarHBondContact O-N 3.47Å; V11-L14 PolarHBondContact O-N 2.83Å; V11-L15 HydrophobicContact CG1-CD1 4.12Å; V11-L15 WeakPolarHBondContact O-CG 3.36Å; V11-L15 PolarHBondContact O-N 2.83Å
12T82.6Confident76.3Confident72 Ų72110.8 Ų110.844%0.44260%0.595SS.*Hα-helixtrans-65-37.7176.441.40000112.9S8 T9 L15 L16S8-T12 PolarHBondContact O-N 3.38Å; S8-T12 VanDerWaalsContact O-N 3.1Å; S8-T12 PolarHBondContact O-OG1 3.29Å; T9-T12 VanDerWaalsContact CA-OG1 3.29Å; T9-T12 WeakPolarHBondContact CA-OG1 3.5Å; T9-T12 PolarHBondContact O-OG1 3.44Å; T12-L15 PolarHBondContact O-N 3.4Å; T12-L16 WeakPolarHBondContact O-CB 3.11Å; T12-L16 WeakPolarHBondContact O-CG 3.44Å; T12-L16 PolarHBondContact O-N 3.13Å
13A85.6Confident77.8Confident59 Ų59103.3 Ų103.349%0.48857%0.573SS.*Hα-helixtrans-66.2-41.217700000111.9T9 A10 V11 L16 A17T9-A13 WeakPolarHBondContact O-CB 3.35Å; T9-A13 PolarHBondContact O-N 3.45Å; A10-A13 PolarHBondContact O-N 3.49Å; V11-A13 PolarHBondContact O-N 3.47Å; A13-L16 PolarHBondContact O-N 3.26Å; A13-A17 WeakPolarHBondContact O-CB 3.48Å; A13-A17 PolarHBondContact O-N 2.71Å
14L85Confident79Confident110 Ų110101 Ų10158%0.57656%0.557SS**Hα-helixtrans-64.3-42.1175.4-84.5158.7000112.1A10 V11 A17 Q18A10-L14 WeakPolarHBondContact O-CB 3.35Å; A10-L14 PolarHBondContact O-N 3.42Å; V11-L14 PolarHBondContact O-N 2.83Å; L14-A17 PolarHBondContact O-N 2.92Å; L14-Q18 WeakPolarHBondContact O-CG 3.31Å; L14-Q18 PolarHBondContact O-N 3.09Å
15L84.8Confident79.7Confident96 Ų96101.1 Ų101.150%0.50355%0.551SS.*Hα-helixtrans-61.9-50.4175.8-77.8166.2000110.8V11 T12 A17 Q18 T19V11-L15 HydrophobicContact CG1-CD1 4.12Å; V11-L15 WeakPolarHBondContact O-CG 3.36Å; V11-L15 PolarHBondContact O-N 2.83Å; T12-L15 PolarHBondContact O-N 3.4Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-A17 PolarHBondContact O-N 3.06Å; L15-Q18 PolarHBondContact O-N 3.03Å; L15-Q18 VanDerWaalsContact O-N 3.13Å; L15-T19 PolarHBondContact O-N 3.26Å; L15-T19 PolarHBondContact O-OG1 3.44Å
16L89.1Confident80.2Confident125 Ų12594.9 Ų94.965%0.65454%0.541SS*.Hα-helixtrans-59.8-40.3178.2-73170.3000112.6T12 A13 T19 F20T12-L16 WeakPolarHBondContact O-CB 3.11Å; T12-L16 WeakPolarHBondContact O-CG 3.44Å; T12-L16 PolarHBondContact O-N 3.13Å; A13-L16 PolarHBondContact O-N 3.26Å; L16-T19 PolarHBondContact O-N 3.03Å; L16-F20 WeakPolarHBondContact O-CB 3.22Å; L16-F20 PolarHBondContact O-N 2.81Å
17A87.4Confident80.5Confident61 Ų6194.4 Ų94.450%0.50454%0.541SS..Hα-helixtrans-64.1-41.1175.800000111.9A13 L14 L15 F20 L21A13-A17 WeakPolarHBondContact O-CB 3.48Å; A13-A17 PolarHBondContact O-N 2.71Å; L14-A17 PolarHBondContact O-N 2.92Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-A17 PolarHBondContact O-N 3.06Å; A17-F20 PolarHBondContact O-N 3.23Å; A17-L21 WeakPolarHBondContact O-CB 3.44Å; A17-L21 PolarHBondContact O-N 3.14Å
18Q86.5Confident79.4Confident120 Ų12098.9 Ų98.956%0.56155%0.549SS*.Hα-helixtrans-65.3-42.6174.4-78.1-175.4-13.100112.1L14 L15 F20 L21 L22L14-Q18 WeakPolarHBondContact O-CG 3.31Å; L14-Q18 PolarHBondContact O-N 3.09Å; L15-Q18 PolarHBondContact O-N 3.03Å; L15-Q18 VanDerWaalsContact O-N 3.13Å; Q18-F20 VanDerWaalsContact C-N 3.34Å; Q18-F20 PolarHBondContact O-N 3.01Å; Q18-L21 PolarHBondContact O-N 3.02Å; Q18-L22 WeakPolarHBondContact O-CB 3.45Å; Q18-L22 PolarHBondContact O-N 2.96Å
19T87.1Confident78.3Confident74 Ų74100.3 Ų100.345%0.45456%0.556SS.*Hα-helixtrans-65.3-39.5177.4-15.60000111.4L15 L16 L22 L23L15-T19 PolarHBondContact O-N 3.26Å; L15-T19 PolarHBondContact O-OG1 3.44Å; L16-T19 PolarHBondContact O-N 3.03Å; T19-L22 PolarHBondContact O-N 3.27Å; T19-L23 WeakPolarHBondContact O-CB 3.29Å; T19-L23 VanDerWaalsContact O-CG 3.29Å; T19-L23 WeakPolarHBondContact O-CG 3.44Å; T19-L23 PolarHBondContact O-N 3.04Å
20F86.1Confident76.9Confident155 Ų15598.2 Ų98.268%0.6855%0.554SS**Hα-helixtrans-68.1-39177.7-153.8-89.6000111.7L16 A17 Q18 L23 F24L16-F20 WeakPolarHBondContact O-CB 3.22Å; L16-F20 PolarHBondContact O-N 2.81Å; A17-F20 PolarHBondContact O-N 3.23Å; Q18-F20 VanDerWaalsContact C-N 3.34Å; Q18-F20 PolarHBondContact O-N 3.01Å; F20-L23 PolarHBondContact O-N 3.14Å; F20-F24 VanDerWaalsContact O-CB 3.22Å; F20-F24 WeakPolarHBondContact O-CB 3.27Å; F20-F24 PolarHBondContact O-N 3Å
21L82.3Confident75Confident110 Ų110102.5 Ų102.558%0.57658%0.579SS**Hα-helixtrans-65.6-41.9174.9-164.677.4000111.6A17 Q18 F24 L25A17-L21 WeakPolarHBondContact O-CB 3.44Å; A17-L21 PolarHBondContact O-N 3.14Å; Q18-L21 PolarHBondContact O-N 3.02Å; L21-F24 PolarHBondContact O-N 3.1Å; L21-L25 HydrophobicContact CG-CD1 4.35Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.74Å
22L79.8Confident73.1Confident108 Ų108104.7 Ų104.757%0.56560%0.597SS**Hα-helixtrans-63.2-46.6174.1-89.4157.1000111.6Q18 T19 F24 L25 V26Q18-L22 WeakPolarHBondContact O-CB 3.45Å; Q18-L22 PolarHBondContact O-N 2.96Å; T19-L22 PolarHBondContact O-N 3.27Å; L22-F24 VanDerWaalsContact C-N 3.3Å; L22-F24 PolarHBondContact O-N 3.4Å; L22-L25 PolarHBondContact O-N 3.43Å; L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.41Å; L22-V26 PolarHBondContact O-N 2.85Å
23L79.4Confident71.2Confident104 Ų104106.2 Ų106.255%0.54561%0.611SS.*Hα-helixtrans-61.5-39.9175.2-76.8165.6000111.2T19 F20 V26 S27T19-L23 WeakPolarHBondContact O-CB 3.29Å; T19-L23 VanDerWaalsContact O-CG 3.29Å; T19-L23 WeakPolarHBondContact O-CG 3.44Å; T19-L23 PolarHBondContact O-N 3.04Å; F20-L23 PolarHBondContact O-N 3.14Å; L23-V26 PolarHBondContact O-N 3.45Å; L23-S27 WeakPolarHBondContact O-CB 3.24Å; L23-S27 PolarHBondContact O-N 2.89Å; L23-S27 PolarHBondContact O-OG 3.47Å
24F77.3Confident69.1Low110 Ų110109.1 Ų109.148%0.48262%0.624SS.*Hα-helixtrans-67.2-38.5176.9-173.6-101000112.5F20 L21 L22 R28F20-F24 VanDerWaalsContact O-CB 3.22Å; F20-F24 WeakPolarHBondContact O-CB 3.27Å; F20-F24 PolarHBondContact O-N 3Å; L21-F24 PolarHBondContact O-N 3.1Å; L22-F24 VanDerWaalsContact C-N 3.3Å; L22-F24 PolarHBondContact O-N 3.4Å; F24-R28 WeakPolarHBondContact O-CG 3.37Å; F24-R28 PolarHBondContact O-N 2.98Å
25L72.8Confident66.8Low108 Ų108109.1 Ų109.157%0.56564%0.64SS**Hα-helixtrans-70.2-36.5175.7-72.3170.4000112.4L21 L22L21-L25 HydrophobicContact CG-CD1 4.35Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.74Å; L22-L25 PolarHBondContact O-N 3.43Å
26V72Confident64.7Low118 Ų118108 Ų10872%0.71565%0.651SS**Hα-helixtrans-78.5-29.5178.1174.40000112L22 L23L22-V26 WeakPolarHBondContact O-CB 3.29Å; L22-V26 WeakPolarHBondContact O-CG2 3.41Å; L22-V26 PolarHBondContact O-N 2.85Å; L23-V26 PolarHBondContact O-N 3.45Å
27S69.4Low62.7Low87 Ų87106.1 Ų106.161%0.60866%0.662SS**SBendtrans-89.8-1.8-179.2-500000113.7L23 P29L23-S27 WeakPolarHBondContact O-CB 3.24Å; L23-S27 PolarHBondContact O-N 2.89Å; L23-S27 PolarHBondContact O-OG 3.47Å; S27-P29 VanDerWaalsContact O-CD 3.31Å; S27-P29 WeakPolarHBondContact O-CD 3.21Å
28R51.5Low61.6Low159 Ų159112 Ų11260%0.668%0.68SS**SBendtrans-66121.3170.5-90.4-175177.6-162.2-2.2108.5F24 G30F24-R28 WeakPolarHBondContact O-CG 3.37Å; F24-R28 PolarHBondContact O-N 2.98Å; R28-G30 PolarHBondContact O-N 3.13Å; R28-G30 VanDerWaalsContact O-N 3.13Å
29P48.6Very low61.5Low124 Ų124112.1 Ų112.181%0.80568%0.68SS**PPolyproline II helixtrans-56.7124164.8-14.127.7000106.9S27S27-P29 VanDerWaalsContact O-CD 3.31Å; S27-P29 WeakPolarHBondContact O-CD 3.21Å
30G50Low61.9Low56 Ų56112.5 Ų112.558%0.57767%0.673SS**PPolyproline II helixtrans-54.5160.3168.700000110.2R28 S32R28-G30 PolarHBondContact O-N 3.13Å; R28-G30 VanDerWaalsContact O-N 3.13Å; G30-S32 PolarHBondContact O-N 3.36Å
31P38Very low62.5Low129 Ų129105.7 Ų105.784%0.83864%0.644SS**SBendtrans-47.8123.1176.319.9-30.6000108.8S33P31-S33 PolarHBondContact O-N 3.43Å
32S39.5Very low63.3Low114 Ų114100.7 Ų100.780%0.79762%0.618SS**  trans-46.6115.5-17632.70000109.7G30G30-S32 PolarHBondContact O-N 3.36Å
33S42.3Very low64.2Low104 Ų10495.5 Ų95.573%0.72759%0.591SS**PPolyproline II helixtrans-55.7134.7164.2-67.70000107.5P31 A35P31-S33 PolarHBondContact O-N 3.43Å; S33-A35 PolarHBondContact O-N 2.98Å
34P41.9Very low65.1Low120 Ų12090.6 Ų90.678%0.77957%0.565SS**PPolyproline II helixtrans-56.8132177.422.9-30.2000108.9G36P34-G36 PolarHBondContact O-N 3.48Å
35A37.7Very low66.1Low110 Ų11085.3 Ų85.391%0.90954%0.542SS*.SBendtrans-53.9132.5-178.700000111.5S33S33-A35 PolarHBondContact O-N 2.98Å
36G40.7Very low67.4Low71 Ų7180.2 Ų80.273%0.73252%0.515SS*.SBendtrans104.766.5178.500000113.3P34 E38P34-G36 PolarHBondContact O-N 3.48Å; G36-E38 PolarHBondContact O-N 3.43Å
37G46.1Very low68.5Low86 Ų8674.8 Ų74.889%0.88748%0.482SS*.  trans-72.476.8-173.400000114.7
38E64.1Low69.6Low186 Ų18670.8 Ų70.887%0.86945%0.454SS*.PPolyproline II helixtrans-87.8133.1155.4-70.4-168.8164.800109.7G36 R40G36-E38 PolarHBondContact O-N 3.43Å; E38-R40 PolarHBondContact O-N 3.03Å
39E85.9Confident71.6Confident122 Ų12263.9 Ų63.957%0.5743%0.429SS*.PPolyproline II helixtrans-62.6126.8177.7-171.1-174.4173.900110.6V41 N194E39-V41 PolarHBondContact O-N 2.86Å; E39-N194 HydrophobicContact CG-CB 4.22Å
40R95.2Very high73.6Confident81 Ų8159.9 Ų59.931%0.30640%0.397SS..PPolyproline II helixtrans-53.6128.5178.5179.2-176.3-71.3132.86.1110.7E38 H42 R166 Y168 S169 V171 N194E38-R40 PolarHBondContact O-N 3.03Å; R40-H42 PolarHBondContact O-CE1 3.03Å; R40-H42 VanDerWaalsContact O-CE1 3.24Å; R40-H42 PolarHBondContact O-ND1 3.39Å; R40-R166 PolarHBondContact NH2-O 3.05Å; R40-Y168 PolarHBondContact NE-O 3.45Å; R40-S169 WeakPolarHBondContact CA-O 3.41Å; R40-S169 WeakPolarHBondContact CG-O 3.4Å; R40-V171 HydrophobicContact CG-CG2 4.49Å; R40-N194 WeakPolarHBondContact O-CB 3.17Å
41V98.3Very high75.5Confident13 Ų1357.2 Ų57.28%0.07937%0.37CS..EExtended strand (participates in β ladder)trans-88.2131.9177.7-1770000109.9E39 V43 S169 H170 V171E39-V41 PolarHBondContact O-N 2.86Å; V41-V43 HydrophobicContact CG1-CG2 4.08Å; V41-S169 PolarHBondContact N-O 2.9Å; V41-H170 WeakPolarHBondContact O-CA 3.24Å; V41-V171 PolarHBondContact O-N 3.06Å
42H98.8Very high78Confident4 Ų451.7 Ų51.72%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-109.2128.9177.1-52.787.1000108.5R40 F100 V171 N194 L195 R196R40-H42 PolarHBondContact O-CE1 3.03Å; R40-H42 VanDerWaalsContact O-CE1 3.24Å; R40-H42 PolarHBondContact O-ND1 3.39Å; H42-F100 HydrophobicContact CB-CD1 3.73Å; H42-F100 HydrophobicContact CB-CE1 3.97Å; H42-F100 HydrophobicContact CB-CG 4.23Å; H42-F100 AromaticContact CD2-CD1 3.85Å; H42-F100 PolarHBondContact CD2-O 3.28Å; H42-F100 VanDerWaalsContact CD2-O 3.3Å; H42-F100 PolarHBondContact NE2-O 2.71Å; H42-V171 CarbonylContact C-O 3.46Å; H42-V171 WeakPolarHBondContact CA-O 3.34Å; H42-N194 PolarHBondContact N-O 2.83Å; H42-N194 PolarHBondContact ND1-N 3.34Å; H42-L195 HydrophobicContact CB-CD1 4.18Å; H42-L195 CarbonylContact O-C 3.57Å; H42-L195 WeakPolarHBondContact O-CA 3.23Å; H42-R196 PolarHBondContact O-N 3Å
43V98.8Very high80.5Confident0 Ų046.4 Ų46.40%030%0.299CS..EExtended strand (participates in β ladder)trans-124.2123.8-179.6-173.80000110V41 F60 F100 V171 V172 L173 R196 V198 T291V41-V43 HydrophobicContact CG1-CG2 4.08Å; V43-F60 HydrophobicContact CG1-CZ 4.3Å; V43-F100 WeakPolarHBondContact O-CE1 3.33Å; V43-V171 PolarHBondContact N-O 2.69Å; V43-V172 HydrophobicContact CB-CB 4.4Å; V43-V172 HydrophobicContact CB-CG1 4.13Å; V43-V172 HydrophobicContact CB-CG2 3.98Å; V43-V172 HydrophobicContact CG1-CG1 4.36Å; V43-V172 HydrophobicContact CG2-CG2 4.23Å; V43-V172 CarbonylContact O-C 3.07Å; V43-V172 WeakPolarHBondContact O-CA 3.45Å; V43-L173 PolarHBondContact O-N 2.88Å; V43-R196 CarbonylContact C-O 3.6Å; V43-R196 VanDerWaalsContact CA-O 3.31Å; V43-R196 WeakPolarHBondContact CA-O 3.35Å; V43-V198 HydrophobicContact CG1-CG2 3.88Å; V43-T291 HydrophobicContact CG1-CG2 3.98Å; V43-T291 HydrophobicContact CG2-CG2 3.73Å
44L98.9Very high82.9Confident0 Ų042.7 Ų42.70%027%0.273CS..EExtended strand (participates in β ladder)trans-99.9110.7168.3-17367000109.4L46 V96 F100 L173 E175 F178 L184 L195 R196 I197 V198L44-L46 HydrophobicContact CD2-CB 4.38Å; L44-L46 HydrophobicContact CG-CB 4.32Å; L44-L46 PolarHBondContact O-N 3.27Å; L44-L46 VanDerWaalsContact O-N 3.13Å; L44-V96 HydrophobicContact CD1-CG1 4.45Å; L44-F100 HydrophobicContact CB-CZ 4.01Å; L44-F100 HydrophobicContact CD1-CE2 4.49Å; L44-F100 HydrophobicContact CD1-CZ 4.19Å; L44-L173 CarbonylContact C-O 3.55Å; L44-L173 WeakPolarHBondContact CA-O 3.42Å; L44-L173 HydrophobicContact CD1-CB 4.3Å; L44-E175 HydrophobicContact CD1-CB 3.95Å; L44-E175 HydrophobicContact CD1-CG 4.09Å; L44-F178 HydrophobicContact CD2-CD2 4.45Å; L44-F178 HydrophobicContact CD2-CE2 4.47Å; L44-L184 HydrophobicContact CD2-CD1 3.56Å; L44-L184 HydrophobicContact CD2-CD2 3.86Å; L44-L184 HydrophobicContact CD2-CG 4.36Å; L44-L195 HydrophobicContact CB-CD1 4.05Å; L44-R196 PolarHBondContact N-O 3.26Å; L44-I197 HydrophobicContact CB-CG1 4.34Å; L44-I197 WeakPolarHBondContact O-CA 3.47Å; L44-V198 PolarHBondContact O-N 2.61Å
45V98.7Very high85.4Confident0 Ų038.2 Ų38.20%024%0.242CC..EExtended strand (participates in β ladder)trans-8090.4165.6-177.90000107.5V56 F60 V172 L173 K174 E175 V198V45-V56 HydrophobicContact CG1-CB 4.32Å; V45-V56 HydrophobicContact CG1-CG1 3.9Å; V45-V56 HydrophobicContact CG2-CG1 4.3Å; V45-F60 HydrophobicContact CG2-CD2 3.82Å; V45-F60 HydrophobicContact CG2-CE2 3.76Å; V45-V172 HydrophobicContact CG2-CG1 3.97Å; V45-L173 PolarHBondContact N-O 2.87Å; V45-K174 HydrophobicContact CB-CB 4.1Å; V45-K174 HydrophobicContact CB-CG 4.26Å; V45-K174 HydrophobicContact CG1-CG 4.21Å; V45-K174 WeakPolarHBondContact O-CA 3.37Å; V45-E175 PolarHBondContact O-N 3.08Å; V45-V198 CarbonylContact C-O 3.52Å; V45-V198 WeakPolarHBondContact CA-O 3.37Å
46L98.4Very high88.1Confident0 Ų033 Ų330%020%0.199CC..EExtended strand (participates in β ladder)trans-86.8128.5-178.517661000110.1L44 F178 L181 L184 I197 V198 H199 L200 I252L44-L46 HydrophobicContact CD2-CB 4.38Å; L44-L46 HydrophobicContact CG-CB 4.32Å; L44-L46 PolarHBondContact O-N 3.27Å; L44-L46 VanDerWaalsContact O-N 3.13Å; L46-F178 HydrophobicContact CD1-CB 3.69Å; L46-F178 HydrophobicContact CD1-CD2 4.32Å; L46-F178 HydrophobicContact CD1-CG 4.5Å; L46-L181 HydrophobicContact CD2-CD1 4.49Å; L46-L184 HydrophobicContact CD2-CD1 3.99Å; L46-I197 HydrophobicContact CB-CG2 3.92Å; L46-I197 HydrophobicContact CD2-CG2 4.05Å; L46-V198 PolarHBondContact N-O 3.08Å; L46-H199 CarbonylContact O-C 3.33Å; L46-H199 WeakPolarHBondContact O-CA 3.34Å; L46-L200 PolarHBondContact O-N 3.06Å; L46-I252 HydrophobicContact CD2-CD1 4.17Å; L46-I252 HydrophobicContact CD2-CG2 3.97Å
47S96.4Very high90.8Very high4 Ų429.7 Ų29.73%0.02816%0.164CC..  trans-157.1-165.6176.5-159.90000111.9S51 E175 V176 L200S47-S51 VanDerWaalsContact OG-CB 3.25Å; S47-S51 WeakPolarHBondContact OG-CB 3.46Å; S47-E175 PolarHBondContact N-O 2.91Å; S47-V176 VanDerWaalsContact O-CA 3.32Å; S47-V176 WeakPolarHBondContact O-CA 3.45Å; S47-L200 WeakPolarHBondContact CB-O 3.49Å; S47-L200 PolarHBondContact OG-O 3.08Å
48S92.8Very high93.1Very high3 Ų326.5 Ų26.52%0.02113%0.126CC..  trans-119.4161.816663.80000109.8R50 S51 V245 H249S48-R50 PolarHBondContact O-N 3.37Å; S48-S51 WeakPolarHBondContact O-CB 3.4Å; S48-S51 PolarHBondContact O-N 2.95Å; S48-S51 PolarHBondContact OG-OG 2.96Å; S48-V245 VanDerWaalsContact OG-CG1 3.32Å; S48-V245 WeakPolarHBondContact OG-CG1 3.4Å; S48-H249 PolarHBondContact OG-CE1 2.83Å; S48-H249 PolarHBondContact OG-NE2 2.93Å
49W92.5Very high94.6Very high15 Ų1517.7 Ų17.76%0.0579%0.085CC..THydrogen-bonded Turntrans-55.7133176.9-67.5-97.6000111.1W77 V176 R177 F179 L218 D221W49-W77 HydrophobicContact CH2-CE3 4.1Å; W49-W77 AromaticContact CH2-CH2 3.47Å; W49-W77 HydrophobicContact CH2-CH2 3.47Å; W49-W77 VanDerWaalsContact CH2-CH2 3.47Å; W49-W77 HydrophobicContact CH2-CZ2 4.4Å; W49-W77 AromaticContact CH2-CZ3 3.27Å; W49-W77 HydrophobicContact CH2-CZ3 3.27Å; W49-W77 HydrophobicContact CZ2-CE3 4.13Å; W49-W77 HydrophobicContact CZ2-CH2 4.31Å; W49-W77 AromaticContact CZ2-CZ3 3.69Å; W49-W77 HydrophobicContact CZ2-CZ3 3.69Å; W49-W77 HydrophobicContact CZ3-CH2 4.25Å; W49-W77 HydrophobicContact CZ3-CZ3 4.27Å; W49-V176 HydrophobicContact CD2-CB 3.95Å; W49-V176 HydrophobicContact CD2-CG2 3.76Å; W49-V176 HydrophobicContact CE3-CB 4.06Å; W49-V176 HydrophobicContact CE3-CG2 4.28Å; W49-V176 HydrophobicContact CG-CB 4.44Å; W49-V176 HydrophobicContact CG-CG2 4.21Å; W49-V176 HydrophobicContact CH2-CB 4.28Å; W49-V176 HydrophobicContact CH2-CG2 4.01Å; W49-V176 VanDerWaalsContact CH2-O 3.24Å; W49-V176 WeakPolarHBondContact CH2-O 3.39Å; W49-V176 HydrophobicContact CZ2-CB 4.25Å; W49-V176 HydrophobicContact CZ2-CG2 3.53Å; W49-V176 HydrophobicContact CZ3-CB 4.18Å; W49-V176 HydrophobicContact CZ3-CG2 4.35Å; W49-V176 WeakPolarHBondContact CZ3-O 3.41Å; W49-R177 HydrophobicContact CH2-CG 3.72Å; W49-R177 HydrophobicContact CZ2-CG 3.84Å; W49-F179 HydrophobicContact CH2-CE2 4.36Å; W49-F179 HydrophobicContact CH2-CZ 4.3Å; W49-F179 HydrophobicContact CZ3-CE2 4.04Å; W49-F179 AromaticContact CZ3-CZ 3.62Å; W49-F179 HydrophobicContact CZ3-CZ 3.62Å; W49-L218 HydrophobicContact CB-CD1 4.47Å; W49-L218 HydrophobicContact CB-CD2 4.4Å; W49-L218 VanDerWaalsContact CD1-CD2 3.41Å; W49-L218 HydrophobicContact CG-CD2 3.98Å; W49-D221 HydrophobicContact CZ2-CB 4.05Å; W49-D221 VanDerWaalsContact CZ2-OD1 3.27Å; W49-D221 WeakPolarHBondContact CZ2-OD1 3.38Å
50R91Very high95.2Very high40 Ų4011.9 Ų11.915%0.1516%0.058CC..THydrogen-bonded Turntrans7611.8175.8-46.5-53.2-54.4177.40.8116.2S48 G52 R202 V207 S210 R211 L218 A318 F319S48-R50 PolarHBondContact O-N 3.37Å; R50-G52 VanDerWaalsContact C-N 3.29Å; R50-G52 PolarHBondContact O-N 3.44Å; R50-R202 WeakPolarHBondContact O-CD 3.35Å; R50-R202 PolarHBondContact O-NH1 2.88Å; R50-V207 HydrophobicContact CB-CG1 4.49Å; R50-S210 PolarHBondContact NE-OG 2.91Å; R50-S210 PolarHBondContact NH2-OG 3.25Å; R50-R211 HydrophobicContact CB-CG 4.06Å; R50-R211 HydrophobicContact CG-CG 3.54Å; R50-L218 HydrophobicContact CG-CD1 4.3Å; R50-A318 PolarHBondContact NH1-O 3.31Å; R50-A318 PolarHBondContact NH2-O 2.03Å; R50-F319 VanDerWaalsContact NH1-CD1 3.28Å
51S90.4Very high95.3Very high0 Ų08 Ų80%04%0.043CC..SBendtrans-87.612.8175-630000114.6S47 S48 L200S47-S51 VanDerWaalsContact OG-CB 3.25Å; S47-S51 WeakPolarHBondContact OG-CB 3.46Å; S48-S51 WeakPolarHBondContact O-CB 3.4Å; S48-S51 PolarHBondContact O-N 2.95Å; S48-S51 PolarHBondContact OG-OG 2.96Å; S51-L200 WeakPolarHBondContact O-CD2 3.47Å
52G89Confident95.3Very high13 Ų137.6 Ų7.613%0.1344%0.04CC..SBendtrans91.14.8176.500000115.3R50 S54 F55 V56R50-G52 VanDerWaalsContact C-N 3.29Å; R50-G52 PolarHBondContact O-N 3.44Å; G52-S54 PolarHBondContact O-N 2.95Å; G52-S54 VanDerWaalsContact O-N 3.13Å; G52-F55 WeakPolarHBondContact O-CB 3.29Å; G52-F55 PolarHBondContact O-N 3.45Å; G52-V56 PolarHBondContact O-N 3.32Å
53S93.1Very high95.2Very high3 Ų37.5 Ų7.52%0.0214%0.04CC..Hα-helixtrans-61.6-25.5-17565.50000114.2F55 G57 K174S53-F55 VanDerWaalsContact C-N 3.33Å; S53-G57 PolarHBondContact O-N 3.05Å; S53-K174 WeakPolarHBondContact OG-CE 3.29Å; S53-K174 PolarHBondContact OG-NZ 3.43Å; S53-K174 VanDerWaalsContact OG-NZ 3.17Å
54S93.1Very high95.1Very high26 Ų268.8 Ų8.818%0.1825%0.048CC..Hα-helixtrans-68.2-33175.7-55.80000112.2G52 Q58 T321G52-S54 PolarHBondContact O-N 2.95Å; G52-S54 VanDerWaalsContact O-N 3.13Å; S54-Q58 WeakPolarHBondContact O-CG 3.04Å; S54-Q58 PolarHBondContact O-N 2.94Å; S54-Q58 VanDerWaalsContact O-N 3.16Å; S54-T321 PolarHBondContact O-OG1 3.09Å
55F93.3Very high95Very high26 Ų2612.2 Ų12.211%0.1147%0.066CC..Hα-helixtrans-68.6-51.9172.9170.6-118000110G52 S53 G57 Q58 L59 I284 I306 T307 T321G52-F55 WeakPolarHBondContact O-CB 3.29Å; G52-F55 PolarHBondContact O-N 3.45Å; S53-F55 VanDerWaalsContact C-N 3.33Å; F55-G57 VanDerWaalsContact C-N 3.31Å; F55-G57 PolarHBondContact O-N 3.33Å; F55-Q58 WeakPolarHBondContact O-CA 3.39Å; F55-Q58 WeakPolarHBondContact O-CB 3.43Å; F55-Q58 PolarHBondContact O-N 3.3Å; F55-L59 HydrophobicContact CD2-CD2 4.48Å; F55-L59 HydrophobicContact CE1-CD1 4.19Å; F55-L59 HydrophobicContact CE1-CD2 4.47Å; F55-L59 HydrophobicContact CE2-CD2 3.79Å; F55-L59 HydrophobicContact CE2-CG 4.4Å; F55-L59 HydrophobicContact CZ-CD1 4.29Å; F55-L59 HydrophobicContact CZ-CD2 3.78Å; F55-L59 HydrophobicContact CZ-CG 4.31Å; F55-L59 WeakPolarHBondContact O-CG 3.18Å; F55-L59 PolarHBondContact O-N 3.39Å; F55-L59 VanDerWaalsContact O-N 3.07Å; F55-I284 HydrophobicContact CZ-CD1 4.41Å; F55-I306 HydrophobicContact CE2-CG2 3.89Å; F55-T307 HydrophobicContact CE1-CG2 4.42Å; F55-T307 HydrophobicContact CE2-CG2 3.92Å; F55-T307 HydrophobicContact CZ-CG2 3.49Å; F55-T307 VanDerWaalsContact CZ-CG2 3.49Å; F55-T321 HydrophobicContact CB-CG2 4.31Å; F55-T321 HydrophobicContact CD2-CG2 3.82Å
56V95.3Very high95Very high1 Ų112.2 Ų12.21%0.0067%0.066CC..Hα-helixtrans-59.2-41.6178.2177.60000112.2V45 G52 Q58 L59 F60 L200 L276 L287V45-V56 HydrophobicContact CG1-CB 4.32Å; V45-V56 HydrophobicContact CG1-CG1 3.9Å; V45-V56 HydrophobicContact CG2-CG1 4.3Å; G52-V56 PolarHBondContact O-N 3.32Å; V56-Q58 VanDerWaalsContact C-N 3.28Å; V56-Q58 PolarHBondContact O-N 2.86Å; V56-L59 WeakPolarHBondContact O-CB 3.45Å; V56-L59 PolarHBondContact O-N 3.2Å; V56-F60 HydrophobicContact CG1-CD2 4.16Å; V56-F60 HydrophobicContact CG1-CE2 3.92Å; V56-F60 WeakPolarHBondContact O-CD2 3.44Å; V56-F60 PolarHBondContact O-N 3.22Å; V56-L200 HydrophobicContact CB-CD2 4.37Å; V56-L200 HydrophobicContact CG2-CD1 4.07Å; V56-L200 HydrophobicContact CG2-CD2 3.75Å; V56-L276 HydrophobicContact CG2-CD1 3.61Å; V56-L287 HydrophobicContact CG1-CD2 4.06Å
57G96.2Very high95Very high0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-61.1-36174.600000112.9S53 F55 S61 Y68S53-G57 PolarHBondContact O-N 3.05Å; F55-G57 VanDerWaalsContact C-N 3.31Å; F55-G57 PolarHBondContact O-N 3.33Å; G57-S61 WeakPolarHBondContact O-CB 3.44Å; G57-S61 PolarHBondContact O-N 2.95Å; G57-Y68 VanDerWaalsContact CA-CE2 3.47Å; G57-Y68 WeakPolarHBondContact O-CE2 3.25Å
58Q95.5Very high95.2Very high20 Ų2012 Ų129%0.0937%0.065CC..Hα-helixtrans-68.7-35.5174-78-59.7-69.200113.2S54 F55 V56 F60 S61 Q62 V125 W302 T321S54-Q58 WeakPolarHBondContact O-CG 3.04Å; S54-Q58 PolarHBondContact O-N 2.94Å; S54-Q58 VanDerWaalsContact O-N 3.16Å; F55-Q58 WeakPolarHBondContact O-CA 3.39Å; F55-Q58 WeakPolarHBondContact O-CB 3.43Å; F55-Q58 PolarHBondContact O-N 3.3Å; V56-Q58 VanDerWaalsContact C-N 3.28Å; V56-Q58 PolarHBondContact O-N 2.86Å; Q58-F60 VanDerWaalsContact C-N 3.34Å; Q58-F60 PolarHBondContact O-N 2.87Å; Q58-S61 PolarHBondContact O-N 3.05Å; Q58-Q62 WeakPolarHBondContact O-CG 3.44Å; Q58-Q62 PolarHBondContact O-N 3.3Å; Q58-Q62 VanDerWaalsContact OE1-NE2 3.13Å; Q58-V125 PolarHBondContact NE2-O 3.46Å; Q58-W302 HydrophobicContact CB-CH2 4.06Å; Q58-T321 HydrophobicContact CB-CG2 4.18Å; Q58-T321 HydrophobicContact CG-CG2 4.12Å
59L95.6Very high95.4Very high0 Ų012.1 Ų12.10%07%0.066CC..Hα-helixtrans-53.7-55.1173.4-56.9177.7000110.2F55 V56 S61 Q62 I284 Y288 W302 I303F55-L59 HydrophobicContact CD2-CD2 4.48Å; F55-L59 HydrophobicContact CE1-CD1 4.19Å; F55-L59 HydrophobicContact CE1-CD2 4.47Å; F55-L59 HydrophobicContact CE2-CD2 3.79Å; F55-L59 HydrophobicContact CE2-CG 4.4Å; F55-L59 HydrophobicContact CZ-CD1 4.29Å; F55-L59 HydrophobicContact CZ-CD2 3.78Å; F55-L59 HydrophobicContact CZ-CG 4.31Å; F55-L59 WeakPolarHBondContact O-CG 3.18Å; F55-L59 PolarHBondContact O-N 3.39Å; F55-L59 VanDerWaalsContact O-N 3.07Å; V56-L59 WeakPolarHBondContact O-CB 3.45Å; V56-L59 PolarHBondContact O-N 3.2Å; L59-S61 PolarHBondContact O-N 3.26Å; L59-Q62 PolarHBondContact O-N 3.45Å; L59-I284 HydrophobicContact CD1-CD1 3.45Å; L59-I284 VanDerWaalsContact CD1-CD1 3.45Å; L59-I284 HydrophobicContact CD1-CG1 3.55Å; L59-I284 HydrophobicContact CD1-CG2 4.28Å; L59-I284 HydrophobicContact CD2-CD1 3.73Å; L59-I284 HydrophobicContact CG-CD1 4.23Å; L59-Y288 HydrophobicContact CB-CE1 4.41Å; L59-Y288 PolarHBondContact O-OH 2.79Å; L59-W302 HydrophobicContact CD2-CZ3 3.95Å; L59-I303 HydrophobicContact CD2-CD1 4.19Å; L59-I303 HydrophobicContact CD2-CG1 3.78Å
60F97.8Very high95.7Very high0 Ų012.1 Ų12.10%07%0.066CC..Hα-helixtrans-61.4-45176.9-75.2-70.2000112.3V43 V45 V56 Q58 Q62 H63 V66 V172 V198 L287 Y288 T291 L293V43-F60 HydrophobicContact CG1-CZ 4.3Å; V45-F60 HydrophobicContact CG2-CD2 3.82Å; V45-F60 HydrophobicContact CG2-CE2 3.76Å; V56-F60 HydrophobicContact CG1-CD2 4.16Å; V56-F60 HydrophobicContact CG1-CE2 3.92Å; V56-F60 WeakPolarHBondContact O-CD2 3.44Å; V56-F60 PolarHBondContact O-N 3.22Å; Q58-F60 VanDerWaalsContact C-N 3.34Å; Q58-F60 PolarHBondContact O-N 2.87Å; F60-Q62 PolarHBondContact O-N 3.2Å; F60-H63 WeakPolarHBondContact O-CB 3.39Å; F60-H63 PolarHBondContact O-N 3.22Å; F60-V66 HydrophobicContact CB-CG1 4.33Å; F60-V66 VanDerWaalsContact O-CB 3.31Å; F60-V66 WeakPolarHBondContact O-CB 3.32Å; F60-V66 WeakPolarHBondContact O-CG1 3.13Å; F60-V172 HydrophobicContact CB-CB 4.3Å; F60-V172 HydrophobicContact CB-CG1 3.87Å; F60-V172 HydrophobicContact CB-CG2 4.24Å; F60-V172 HydrophobicContact CD1-CG1 4.35Å; F60-V172 HydrophobicContact CD1-CG2 4.04Å; F60-V172 HydrophobicContact CD2-CG1 4.03Å; F60-V172 HydrophobicContact CG-CG1 3.84Å; F60-V172 HydrophobicContact CG-CG2 4.25Å; F60-V198 HydrophobicContact CZ-CG2 4.44Å; F60-L287 HydrophobicContact CE2-CD2 3.93Å; F60-L287 HydrophobicContact CE2-CG 4.34Å; F60-L287 HydrophobicContact CZ-CD1 4.3Å; F60-L287 HydrophobicContact CZ-CD2 4Å; F60-L287 HydrophobicContact CZ-CG 3.91Å; F60-Y288 HydrophobicContact CD1-CE1 4.31Å; F60-Y288 HydrophobicContact CE1-CD1 4.33Å; F60-Y288 HydrophobicContact CE1-CE1 4.2Å; F60-T291 HydrophobicContact CE1-CG2 3.96Å; F60-T291 HydrophobicContact CZ-CG2 3.94Å; F60-L293 HydrophobicContact CD1-CD1 3.81Å; F60-L293 HydrophobicContact CE1-CD1 3.88Å
61S97.8Very high96Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-59.2-34.8-177.6-175.70000113G57 Q58 L59 H63 V125 S126 R127G57-S61 WeakPolarHBondContact O-CB 3.44Å; G57-S61 PolarHBondContact O-N 2.95Å; Q58-S61 PolarHBondContact O-N 3.05Å; L59-S61 PolarHBondContact O-N 3.26Å; S61-H63 PolarHBondContact O-N 3.1Å; S61-V125 PolarHBondContact OG-O 3.23Å; S61-S126 WeakPolarHBondContact OG-CA 3.06Å; S61-R127 WeakPolarHBondContact O-CB 3.49Å; S61-R127 PolarHBondContact O-NE 2.98Å; S61-R127 PolarHBondContact OG-N 2.92Å
62Q97.3Very high96.4Very high5 Ų511.1 Ų11.12%0.0236%0.064CC..THydrogen-bonded Turntrans-78.9-6.7-178.4-61.8-51.5-31.900113Q58 L59 F60 I143 S144 L299 W302Q58-Q62 WeakPolarHBondContact O-CG 3.44Å; Q58-Q62 PolarHBondContact O-N 3.3Å; Q58-Q62 VanDerWaalsContact OE1-NE2 3.13Å; L59-Q62 PolarHBondContact O-N 3.45Å; F60-Q62 PolarHBondContact O-N 3.2Å; Q62-I143 HydrophobicContact CB-CD1 3.94Å; Q62-I143 HydrophobicContact CG-CD1 4.41Å; Q62-I143 HydrophobicContact CG-CG2 4.48Å; Q62-S144 PolarHBondContact NE2-OG 3.02Å; Q62-S144 VanDerWaalsContact NE2-OG 3.14Å; Q62-S144 PolarHBondContact OE1-OG 3.24Å; Q62-L299 HydrophobicContact CB-CD1 3.62Å; Q62-W302 HydrophobicContact CB-CZ3 4.43Å; Q62-W302 HydrophobicContact CG-CE3 4.38Å; Q62-W302 HydrophobicContact CG-CH2 3.78Å; Q62-W302 HydrophobicContact CG-CZ2 3.9Å; Q62-W302 HydrophobicContact CG-CZ3 4.03Å
63H97.6Very high96.9Very high2 Ų210.5 Ų10.51%0.0096%0.057CC..SBendtrans-73.1136.3176.9-164.9-82.5000111.4F60 S61 D65 V66 R127 Y288 S294F60-H63 WeakPolarHBondContact O-CB 3.39Å; F60-H63 PolarHBondContact O-N 3.22Å; S61-H63 PolarHBondContact O-N 3.1Å; H63-D65 IonicContact CE1-OD2 2.81Å; H63-D65 PolarHBondContact CE1-OD2 3.39Å; H63-D65 VanDerWaalsContact CE1-OD2 3.27Å; H63-D65 PolarHBondContact ND1-N 3.45Å; H63-D65 VanDerWaalsContact ND1-N 3.16Å; H63-D65 IonicContact ND1-OD2 3.27Å; H63-D65 PolarHBondContact O-N 2.98Å; H63-V66 HydrophobicContact CB-CB 4.17Å; H63-V66 HydrophobicContact CB-CG2 3.79Å; H63-V66 PolarHBondContact O-N 3.46Å; H63-R127 PolarHBondContact O-NE 3.5Å; H63-R127 VanDerWaalsContact O-NE 3.1Å; H63-R127 PolarHBondContact O-NH2 3.42Å; H63-Y288 AromaticContact CD2-CE2 3.81Å; H63-S294 PolarHBondContact NE2-O 2.78Å
64P96.7Very high97.1Very high27 Ų2713.3 Ų13.318%0.1757%0.068CC..THydrogen-bonded Turntrans-63.7-23.9-17723.3-34.8000114.7R127 Y168 T296P64-R127 VanDerWaalsContact C-NH2 3.35Å; P64-R127 PolarHBondContact O-NH2 3.43Å; P64-R127 VanDerWaalsContact O-NH2 3.08Å; P64-Y168 WeakPolarHBondContact O-CD1 3.45Å; P64-Y168 WeakPolarHBondContact O-CE1 3.35Å; P64-T296 HydrophobicContact CG-CG2 4.47Å
65D97.3Very high97.3Very high71 Ų7112.4 Ų12.438%0.386%0.06SC..THydrogen-bonded Turntrans-98.95-176.4-58.6-38.8000114.7H63 Y168 S169 H170H63-D65 IonicContact CE1-OD2 2.81Å; H63-D65 PolarHBondContact CE1-OD2 3.39Å; H63-D65 VanDerWaalsContact CE1-OD2 3.27Å; H63-D65 PolarHBondContact ND1-N 3.45Å; H63-D65 VanDerWaalsContact ND1-N 3.16Å; H63-D65 IonicContact ND1-OD2 3.27Å; H63-D65 PolarHBondContact O-N 2.98Å; D65-Y168 VanDerWaalsContact C-CD1 3.48Å; D65-S169 PolarHBondContact O-N 2.87Å; D65-H170 PolarHBondContact O-N 2.88Å; D65-H170 VanDerWaalsContact O-N 3.15Å
66V98.5Very high97.6Very high0 Ų011.2 Ų11.20%06%0.055CC..EExtended strand (participates in β ladder)trans-107.2127.8-174.8169.80000111.8F60 H63 R127 H170 V172 L293F60-V66 HydrophobicContact CB-CG1 4.33Å; F60-V66 VanDerWaalsContact O-CB 3.31Å; F60-V66 WeakPolarHBondContact O-CB 3.32Å; F60-V66 WeakPolarHBondContact O-CG1 3.13Å; H63-V66 HydrophobicContact CB-CB 4.17Å; H63-V66 HydrophobicContact CB-CG2 3.79Å; H63-V66 PolarHBondContact O-N 3.46Å; V66-R127 PolarHBondContact O-NH2 2.95Å; V66-H170 HydrophobicContact CB-CB 4.49Å; V66-H170 HydrophobicContact CG2-CB 3.8Å; V66-V172 HydrophobicContact CB-CG2 4.46Å; V66-V172 HydrophobicContact CG1-CB 3.91Å; V66-V172 HydrophobicContact CG1-CG2 3.49Å; V66-V172 VanDerWaalsContact CG1-CG2 3.49Å; V66-V172 HydrophobicContact CG2-CG2 4.14Å; V66-L293 HydrophobicContact CG2-CD1 3.83Å; V66-L293 HydrophobicContact CG2-CD2 4.34Å
67F98.8Very high97.7Very high0 Ų011.1 Ų11.10%06%0.055CC..EExtended strand (participates in β ladder)trans-88.1120.4153.8-179.5-96.7000109.2L69 M104 A128 L129 A161 A164 C165 Y168 H170 V171 V172F67-L69 HydrophobicContact CD1-CG 4.48Å; F67-L69 HydrophobicContact CE1-CD1 3.65Å; F67-L69 HydrophobicContact CE1-CD2 4.28Å; F67-L69 HydrophobicContact CE1-CG 3.55Å; F67-L69 HydrophobicContact CZ-CD1 3.86Å; F67-L69 HydrophobicContact CZ-CD2 4Å; F67-L69 HydrophobicContact CZ-CG 3.77Å; F67-M104 HydrophobicContact CE1-CE 3.75Å; F67-M104 HydrophobicContact CZ-CE 3.7Å; F67-A128 HydrophobicContact CB-CB 4.42Å; F67-A128 HydrophobicContact CD2-CB 3.71Å; F67-A128 HydrophobicContact CE2-CB 4.47Å; F67-A128 HydrophobicContact CG-CB 4.4Å; F67-L129 HydrophobicContact CE2-CD2 3.85Å; F67-L129 HydrophobicContact CE2-CG 4.49Å; F67-L129 HydrophobicContact CZ-CD2 4.42Å; F67-A161 WeakPolarHBondContact CE2-O 3.43Å; F67-A164 HydrophobicContact CD2-CB 4.24Å; F67-A164 HydrophobicContact CE2-CB 4.13Å; F67-C165 HydrophobicContact CD1-CB 3.8Å; F67-C165 VanDerWaalsContact CD2-CA 3.41Å; F67-C165 HydrophobicContact CD2-CB 3.86Å; F67-C165 HydrophobicContact CE1-CB 3.71Å; F67-C165 HydrophobicContact CE2-CB 3.79Å; F67-C165 HydrophobicContact CG-CB 3.86Å; F67-C165 HydrophobicContact CZ-CB 3.72Å; F67-Y168 HydrophobicContact CB-CD2 3.69Å; F67-Y168 HydrophobicContact CB-CG 3.99Å; F67-Y168 HydrophobicContact CD2-CD2 4.29Å; F67-Y168 HydrophobicContact CG-CD2 4.49Å; F67-H170 PolarHBondContact N-O 2.89Å; F67-V171 HydrophobicContact CB-CG2 4.45Å; F67-V171 HydrophobicContact CD1-CG1 4.15Å; F67-V171 WeakPolarHBondContact O-CA 3.15Å; F67-V172 PolarHBondContact O-N 2.82Å
68Y98.8Very high97.7Very high0 Ų013.2 Ų13.20%07%0.068CC..EExtended strand (participates in β ladder)trans-117.1137.9-178.7171.5-97.4000111.5G57 M70 V125 S126 V172 K174G57-Y68 VanDerWaalsContact CA-CE2 3.47Å; G57-Y68 WeakPolarHBondContact O-CE2 3.25Å; Y68-M70 HydrophobicContact CE1-CB 3.81Å; Y68-M70 HydrophobicContact CE1-CE 4.44Å; Y68-M70 WeakPolarHBondContact OH-CB 3.33Å; Y68-M70 VanDerWaalsContact OH-CE 3.31Å; Y68-M70 WeakPolarHBondContact OH-CE 3.47Å; Y68-V125 HydrophobicContact CE1-CG2 3.9Å; Y68-S126 WeakPolarHBondContact O-CB 3.42Å; Y68-S126 PolarHBondContact O-OG 3.15Å; Y68-V172 VanDerWaalsContact CA-O 3.27Å; Y68-V172 WeakPolarHBondContact CA-O 3.23Å; Y68-V172 HydrophobicContact CD2-CB 4.18Å; Y68-V172 HydrophobicContact CD2-CG1 4.01Å; Y68-V172 WeakPolarHBondContact CD2-O 3.34Å; Y68-K174 HydrophobicContact CE2-CB 3.71Å; Y68-K174 WeakPolarHBondContact OH-CB 2.97Å
69L98.6Very high97.8Very high6 Ų615.7 Ų15.73%0.0318%0.084CC..EExtended strand (participates in β ladder)trans-128.3136.5163.5-68.1177.3000111.2F67 V99 M104 L120 L129 V172 L173 K174F67-L69 HydrophobicContact CD1-CG 4.48Å; F67-L69 HydrophobicContact CE1-CD1 3.65Å; F67-L69 HydrophobicContact CE1-CD2 4.28Å; F67-L69 HydrophobicContact CE1-CG 3.55Å; F67-L69 HydrophobicContact CZ-CD1 3.86Å; F67-L69 HydrophobicContact CZ-CD2 4Å; F67-L69 HydrophobicContact CZ-CG 3.77Å; L69-V99 HydrophobicContact CD1-CG1 3.67Å; L69-M104 HydrophobicContact CD1-CE 4.24Å; L69-M104 HydrophobicContact CD1-SD 4.48Å; L69-L120 HydrophobicContact CD2-CD1 4.27Å; L69-L129 HydrophobicContact CD2-CD1 3.8Å; L69-V172 PolarHBondContact N-O 3.13Å; L69-L173 HydrophobicContact CB-CD2 3.79Å; L69-L173 HydrophobicContact CD1-CD2 4.45Å; L69-L173 HydrophobicContact CG-CD2 4.43Å; L69-K174 PolarHBondContact O-N 2.88Å; L69-K174 VanDerWaalsContact O-N 3.09Å
70M98.3Very high97.8Very high15 Ų1519.2 Ų19.27%0.07410%0.102CC..EExtended strand (participates in β ladder)trans-90.4116.1175.5-177170.4-72.400109.6Y68 F121 Q122 V125 K174Y68-M70 HydrophobicContact CE1-CB 3.81Å; Y68-M70 HydrophobicContact CE1-CE 4.44Å; Y68-M70 WeakPolarHBondContact OH-CB 3.33Å; Y68-M70 VanDerWaalsContact OH-CE 3.31Å; Y68-M70 WeakPolarHBondContact OH-CE 3.47Å; M70-F121 HydrophobicContact CG-CE1 4.47Å; M70-Q122 HydrophobicContact CB-CB 4.03Å; M70-Q122 HydrophobicContact CG-CB 4.15Å; M70-Q122 HydrophobicContact CG-CG 4.47Å; M70-Q122 HydrophobicContact SD-CB 3.76Å; M70-Q122 HydrophobicContact SD-CG 3.8Å; M70-V125 HydrophobicContact CB-CG2 4.05Å; M70-V125 HydrophobicContact CE-CG2 3.83Å; M70-V125 HydrophobicContact SD-CG2 4.23Å; M70-K174 HydrophobicContact CG-CD 4.11Å
71E98.1Very high97.6Very high14 Ų1420.7 Ų20.77%0.06511%0.113CC..  trans50.253.2169.5-59.9-179.2-129.200115A73 W74 F121 K174 E175 V176 R177E71-A73 PolarHBondContact O-N 3.28Å; E71-A73 VanDerWaalsContact O-N 3.12Å; E71-W74 HydrophobicContact CB-CB 4.32Å; E71-W74 WeakPolarHBondContact O-CB 3.08Å; E71-W74 PolarHBondContact O-N 3.43Å; E71-F121 HydrophobicContact CB-CD1 3.84Å; E71-F121 HydrophobicContact CB-CE1 3.95Å; E71-F121 HydrophobicContact CG-CE1 4.39Å; E71-K174 WeakPolarHBondContact CA-O 3.46Å; E71-K174 HydrophobicContact CG-CD 3.83Å; E71-K174 VanDerWaalsContact CG-NZ 3.3Å; E71-K174 PolarHBondContact N-O 3.29Å; E71-K174 IonicContact OE1-NZ 2.77Å; E71-K174 PolarHBondContact OE1-NZ 3.14Å; E71-K174 IonicContact OE2-NZ 3.27Å; E71-E175 VanDerWaalsContact C-OE1 3.23Å; E71-E175 WeakPolarHBondContact CA-OE1 3.38Å; E71-V176 HydrophobicContact CG-CG2 4.13Å; E71-V176 WeakPolarHBondContact OE2-CG2 3.29Å; E71-R177 IonicContact OE2-CZ 3.3Å; E71-R177 IonicContact OE2-NH1 3.38Å; E71-R177 PolarHBondContact OE2-NH1 3.4Å; E71-R177 IonicContact OE2-NH2 2.9Å; E71-R177 PolarHBondContact OE2-NH2 3.43Å
72P98.4Very high97.5Very high4 Ų426.1 Ų26.13%0.02614%0.138CC..THydrogen-bonded Turntrans-51.3-34.6174.922.5-34.8000113.2W74 H75 L95 V99 F107 L173 E175P72-W74 PolarHBondContact O-N 3.36Å; P72-W74 VanDerWaalsContact O-N 3.13Å; P72-H75 PolarHBondContact O-N 3.48Å; P72-L95 VanDerWaalsContact C-CD2 3.48Å; P72-L95 HydrophobicContact CB-CD2 4.21Å; P72-L95 VanDerWaalsContact O-CD2 3.28Å; P72-L95 WeakPolarHBondContact O-CD2 3.37Å; P72-V99 HydrophobicContact CB-CG2 4.46Å; P72-F107 HydrophobicContact CB-CE1 4.21Å; P72-F107 HydrophobicContact CB-CZ 3.78Å; P72-L173 HydrophobicContact CG-CD1 4.49Å; P72-L173 HydrophobicContact CG-CD2 4.44Å; P72-E175 WeakPolarHBondContact CD-OE1 3.16Å; P72-E175 VanDerWaalsContact CG-OE1 3.25Å; P72-E175 WeakPolarHBondContact CG-OE1 3.41Å
73A98.3Very high97.3Very high0 Ų026.8 Ų26.80%015%0.146CC..THydrogen-bonded Turntrans-70.2-3.4177.500000115.2E71 H75 V76 W77 V92 L95 E175 R177E71-A73 PolarHBondContact O-N 3.28Å; E71-A73 VanDerWaalsContact O-N 3.12Å; A73-H75 PolarHBondContact O-N 2.73Å; A73-V76 PolarHBondContact O-N 3.16Å; A73-W77 PolarHBondContact O-N 3.05Å; A73-V92 HydrophobicContact CB-CB 4.29Å; A73-V92 HydrophobicContact CB-CG1 3.64Å; A73-V92 HydrophobicContact CB-CG2 4.16Å; A73-L95 HydrophobicContact CB-CD2 4.31Å; A73-E175 VanDerWaalsContact CB-OE1 3.3Å; A73-E175 WeakPolarHBondContact CB-OE1 3.36Å; A73-E175 PolarHBondContact N-OE1 3.35Å; A73-R177 VanDerWaalsContact O-CD 3.27Å; A73-R177 WeakPolarHBondContact O-CD 3.22Å
74W98.1Very high97.2Very high63 Ų6328.1 Ų28.124%0.23916%0.156CC..Hα-helixtrans-54.7-35165.4-177.597.5000111.5E71 P72 W77 T78 F121 R177 R220E71-W74 HydrophobicContact CB-CB 4.32Å; E71-W74 WeakPolarHBondContact O-CB 3.08Å; E71-W74 PolarHBondContact O-N 3.43Å; P72-W74 PolarHBondContact O-N 3.36Å; P72-W74 VanDerWaalsContact O-N 3.13Å; W74-W77 PolarHBondContact O-N 2.89Å; W74-T78 VanDerWaalsContact CD2-OG1 3.32Å; W74-T78 HydrophobicContact CH2-CG2 3.92Å; W74-T78 WeakPolarHBondContact CH2-OG1 3.34Å; W74-T78 HydrophobicContact CZ2-CG2 4.42Å; W74-T78 WeakPolarHBondContact CZ2-OG1 3.4Å; W74-T78 HydrophobicContact CZ3-CG2 4.12Å; W74-T78 WeakPolarHBondContact CZ3-OG1 3.38Å; W74-T78 WeakPolarHBondContact O-CB 3.26Å; W74-T78 PolarHBondContact O-N 3.24Å; W74-T78 PolarHBondContact O-OG1 2.8Å; W74-F121 HydrophobicContact CB-CB 4.12Å; W74-F121 HydrophobicContact CB-CD1 3.98Å; W74-F121 HydrophobicContact CB-CD2 4.36Å; W74-F121 HydrophobicContact CB-CE1 4.49Å; W74-F121 HydrophobicContact CB-CG 3.89Å; W74-F121 AromaticContact CD1-CD2 3.79Å; W74-F121 AromaticContact CD1-CE2 3.61Å; W74-F121 AromaticContact CD1-CZ 3.76Å; W74-F121 HydrophobicContact CD2-CB 4.11Å; W74-F121 AromaticContact CD2-CD2 3.45Å; W74-F121 HydrophobicContact CD2-CD2 3.45Å; W74-F121 VanDerWaalsContact CD2-CD2 3.45Å; W74-F121 AromaticContact CD2-CE2 3.98Å; W74-F121 HydrophobicContact CD2-CE2 3.98Å; W74-F121 AromaticContact CD2-CG 3.82Å; W74-F121 HydrophobicContact CD2-CG 3.82Å; W74-F121 AromaticContact CE2-CD2 3.57Å; W74-F121 AromaticContact CE2-CE2 3.7Å; W74-F121 HydrophobicContact CE3-CB 3.96Å; W74-F121 AromaticContact CE3-CD2 3.9Å; W74-F121 HydrophobicContact CE3-CD2 3.9Å; W74-F121 HydrophobicContact CE3-CG 4.16Å; W74-F121 HydrophobicContact CG-CB 4.2Å; W74-F121 HydrophobicContact CG-CD1 4.05Å; W74-F121 AromaticContact CG-CD2 3.65Å; W74-F121 HydrophobicContact CG-CD2 3.65Å; W74-F121 HydrophobicContact CG-CE1 4.32Å; W74-F121 AromaticContact CG-CE2 3.96Å; W74-F121 HydrophobicContact CG-CE2 3.96Å; W74-F121 AromaticContact CG-CG 3.69Å; W74-F121 HydrophobicContact CG-CG 3.69Å; W74-F121 HydrophobicContact CG-CZ 4.28Å; W74-F121 HydrophobicContact CZ2-CD2 4.16Å; W74-F121 HydrophobicContact CZ2-CE2 4.35Å; W74-F121 HydrophobicContact CZ3-CD2 4.43Å; W74-F121 AromaticContact NE1-CD2 3.75Å; W74-F121 AromaticContact NE1-CE2 3.43Å; W74-F121 AromaticContact NE1-CZ 3.97Å; W74-R177 VanDerWaalsContact CA-CZ 3.45Å; W74-R177 VanDerWaalsContact CD1-NH2 3.33Å; W74-R220 VanDerWaalsContact CE2-NH2 3.28Å
75H98.3Very high97.1Very high7 Ų727.6 Ų27.63%0.03215%0.154CC..Hα-helixtrans-66.3-42.7178.2-68.8-54.3000112.3P72 A73 W77 T78 T79 F107 D119 F121P72-H75 PolarHBondContact O-N 3.48Å; A73-H75 PolarHBondContact O-N 2.73Å; H75-W77 PolarHBondContact O-N 2.64Å; H75-T78 PolarHBondContact O-N 3.08Å; H75-T79 WeakPolarHBondContact O-CB 3.5Å; H75-T79 PolarHBondContact O-N 2.78Å; H75-T79 PolarHBondContact O-OG1 2.96Å; H75-T79 VanDerWaalsContact O-OG1 3.09Å; H75-F107 AromaticContact CD2-CD1 3.93Å; H75-F107 AromaticContact CD2-CE1 3.61Å; H75-D119 PolarHBondContact CE1-O 3.07Å; H75-D119 PolarHBondContact NE2-O 3.47Å; H75-F121 PolarHBondContact NE2-N 3.25Å
76V98.4Very high97Very high0 Ų027.4 Ų27.40%016%0.162CC..Hα-helixtrans-57.2-50.8173.9-176.30000111A73 T78 T79 L80 A91 V92 L95 Y110A73-V76 PolarHBondContact O-N 3.16Å; V76-T78 VanDerWaalsContact C-N 3.31Å; V76-T78 PolarHBondContact O-N 3.1Å; V76-T79 PolarHBondContact O-N 3.32Å; V76-L80 HydrophobicContact CG1-CD1 4.14Å; V76-L80 WeakPolarHBondContact O-CB 3.36Å; V76-L80 PolarHBondContact O-N 2.95Å; V76-A91 HydrophobicContact CG1-CB 3.68Å; V76-V92 HydrophobicContact CB-CG2 4.22Å; V76-V92 HydrophobicContact CG1-CG2 4.02Å; V76-L95 HydrophobicContact CG2-CB 4.2Å; V76-L95 HydrophobicContact CG2-CD2 3.66Å; V76-L95 HydrophobicContact CG2-CG 4.49Å; V76-Y110 HydrophobicContact CB-CE1 4.43Å; V76-Y110 HydrophobicContact CG1-CE1 4.35Å; V76-Y110 HydrophobicContact CG2-CD1 4.47Å; V76-Y110 HydrophobicContact CG2-CD2 4.21Å; V76-Y110 HydrophobicContact CG2-CE1 4.13Å; V76-Y110 HydrophobicContact CG2-CE2 3.84Å
77W97.2Very high96.8Very high0 Ų031.8 Ų31.80%019%0.189CC..Hα-helixtrans-69.9-27.5-177.6-8229.3000113.3W49 A73 W74 H75 S81 A85 L88 R177 F179 D221 I224 V225W49-W77 HydrophobicContact CH2-CE3 4.1Å; W49-W77 AromaticContact CH2-CH2 3.47Å; W49-W77 HydrophobicContact CH2-CH2 3.47Å; W49-W77 VanDerWaalsContact CH2-CH2 3.47Å; W49-W77 HydrophobicContact CH2-CZ2 4.4Å; W49-W77 AromaticContact CH2-CZ3 3.27Å; W49-W77 HydrophobicContact CH2-CZ3 3.27Å; W49-W77 HydrophobicContact CZ2-CE3 4.13Å; W49-W77 HydrophobicContact CZ2-CH2 4.31Å; W49-W77 AromaticContact CZ2-CZ3 3.69Å; W49-W77 HydrophobicContact CZ2-CZ3 3.69Å; W49-W77 HydrophobicContact CZ3-CH2 4.25Å; W49-W77 HydrophobicContact CZ3-CZ3 4.27Å; A73-W77 PolarHBondContact O-N 3.05Å; W74-W77 PolarHBondContact O-N 2.89Å; H75-W77 PolarHBondContact O-N 2.64Å; W77-S81 VanDerWaalsContact O-CA 3.28Å; W77-S81 WeakPolarHBondContact O-CA 3.37Å; W77-S81 WeakPolarHBondContact O-CB 3.41Å; W77-S81 PolarHBondContact O-N 3.06Å; W77-A85 HydrophobicContact CH2-CB 3.94Å; W77-A85 HydrophobicContact CZ2-CB 3.7Å; W77-L88 HydrophobicContact CG-CD1 4.22Å; W77-R177 HydrophobicContact CD2-CB 4.39Å; W77-R177 VanDerWaalsContact CD2-CD 3.47Å; W77-R177 HydrophobicContact CD2-CG 3.67Å; W77-R177 HydrophobicContact CE3-CG 3.94Å; W77-R177 HydrophobicContact CG-CG 4.25Å; W77-R177 HydrophobicContact CH2-CB 4.4Å; W77-R177 HydrophobicContact CH2-CG 4.05Å; W77-R177 HydrophobicContact CZ2-CB 3.75Å; W77-R177 HydrophobicContact CZ2-CG 3.74Å; W77-R177 HydrophobicContact CZ3-CG 4.13Å; W77-F179 AromaticContact CH2-CE2 3.75Å; W77-F179 HydrophobicContact CH2-CE2 3.75Å; W77-F179 HydrophobicContact CH2-CZ 4.21Å; W77-F179 HydrophobicContact CZ2-CE2 4.09Å; W77-D221 HydrophobicContact CE3-CB 4.35Å; W77-D221 HydrophobicContact CZ3-CB 4.15Å; W77-I224 HydrophobicContact CB-CD1 3.84Å; W77-I224 HydrophobicContact CD2-CD1 4.03Å; W77-I224 HydrophobicContact CD2-CG2 3.81Å; W77-I224 HydrophobicContact CE3-CB 4.08Å; W77-I224 HydrophobicContact CE3-CD1 3.8Å; W77-I224 HydrophobicContact CE3-CG2 3.78Å; W77-I224 HydrophobicContact CG-CD1 4.1Å; W77-I224 HydrophobicContact CH2-CG2 3.86Å; W77-I224 HydrophobicContact CZ2-CG2 3.94Å; W77-I224 HydrophobicContact CZ3-CB 4.06Å; W77-I224 HydrophobicContact CZ3-CG2 3.78Å; W77-I224 WeakPolarHBondContact O-CD1 3.31Å; W77-V225 HydrophobicContact CH2-CG2 3.91Å; W77-V225 HydrophobicContact CZ3-CG2 4.15Å
78T96.1Very high96.7Very high44 Ų4432.4 Ų32.427%0.2719%0.193SC..Hα-helixtrans-72.9-48.2175.8-59.10000110.7W74 H75 V76 R220W74-T78 VanDerWaalsContact CD2-OG1 3.32Å; W74-T78 HydrophobicContact CH2-CG2 3.92Å; W74-T78 WeakPolarHBondContact CH2-OG1 3.34Å; W74-T78 HydrophobicContact CZ2-CG2 4.42Å; W74-T78 WeakPolarHBondContact CZ2-OG1 3.4Å; W74-T78 HydrophobicContact CZ3-CG2 4.12Å; W74-T78 WeakPolarHBondContact CZ3-OG1 3.38Å; W74-T78 WeakPolarHBondContact O-CB 3.26Å; W74-T78 PolarHBondContact O-N 3.24Å; W74-T78 PolarHBondContact O-OG1 2.8Å; H75-T78 PolarHBondContact O-N 3.08Å; V76-T78 VanDerWaalsContact C-N 3.31Å; V76-T78 PolarHBondContact O-N 3.1Å; T78-R220 VanDerWaalsContact CG2-NH1 3.29Å; T78-R220 PolarHBondContact OG1-NH1 3.19Å; T78-R220 PolarHBondContact OG1-NH2 2.91Å; T78-R220 VanDerWaalsContact OG1-NH2 3.11Å
79T96.9Very high96.6Very high71 Ų7135.6 Ų35.644%0.43621%0.207SC..Hα-helixtrans-71.6-40.4-177.9-57.20000111.8H75 V76 Y110H75-T79 WeakPolarHBondContact O-CB 3.5Å; H75-T79 PolarHBondContact O-N 2.78Å; H75-T79 PolarHBondContact O-OG1 2.96Å; H75-T79 VanDerWaalsContact O-OG1 3.09Å; V76-T79 PolarHBondContact O-N 3.32Å; T79-Y110 HydrophobicContact CG2-CD1 4.3Å; T79-Y110 PolarHBondContact OG1-O 3.39Å
80L96.4Very high96.5Very high74 Ų7440.2 Ų40.239%0.38723%0.23SC..THydrogen-bonded Turntrans-104.941.1-178-53.2179.4000112.4V76 Q82 G83 L88 Y110V76-L80 HydrophobicContact CG1-CD1 4.14Å; V76-L80 WeakPolarHBondContact O-CB 3.36Å; V76-L80 PolarHBondContact O-N 2.95Å; L80-Q82 PolarHBondContact O-N 3.45Å; L80-G83 PolarHBondContact O-N 3.3Å; L80-L88 HydrophobicContact CB-CD1 4.45Å; L80-L88 HydrophobicContact CB-CD2 3.56Å; L80-L88 HydrophobicContact CD1-CD2 3.83Å; L80-L88 HydrophobicContact CG-CD2 4.37Å; L80-Y110 HydrophobicContact CD1-CE1 4.3Å
81S94.6Very high96.5Very high32 Ų3240.6 Ų40.622%0.22424%0.235CC..THydrogen-bonded Turntrans-63.2-14.9-171.158.40000116W77 G83 G230W77-S81 VanDerWaalsContact O-CA 3.28Å; W77-S81 WeakPolarHBondContact O-CA 3.37Å; W77-S81 WeakPolarHBondContact O-CB 3.41Å; W77-S81 PolarHBondContact O-N 3.06Å; S81-G83 VanDerWaalsContact C-N 3.3Å; S81-G230 WeakPolarHBondContact O-CA 3.43Å
82Q94.4Very high96.5Very high113 Ų11339.9 Ų39.953%0.52823%0.232SC..THydrogen-bonded Turntrans-74.8-21.7173.1-60.4-61.5-19.900112.5L80 N229 G230L80-Q82 PolarHBondContact O-N 3.45Å; Q82-N229 PolarHBondContact O-OD1 3.05Å; Q82-N229 PolarHBondContact OE1-O 3.02Å; Q82-N229 PolarHBondContact OE1-OD1 3.07Å; Q82-G230 VanDerWaalsContact OE1-CA 3.26Å
83G94.2Very high96.5Very high19 Ų1941.8 Ų41.820%0.19624%0.239CC..SBendtrans-71.1164.517800000113.4L80 S81L80-G83 PolarHBondContact O-N 3.3Å; S81-G83 VanDerWaalsContact C-N 3.3Å
84S95.4Very high96.5Very high30 Ų3045.5 Ų45.521%0.2126%0.258CS..  trans-94.9162.4168.670.90000111.2A86 T87 L88 I224S84-A86 PolarHBondContact O-N 3.11Å; S84-A86 VanDerWaalsContact O-N 3.16Å; S84-T87 PolarHBondContact N-OG1 3.4Å; S84-T87 PolarHBondContact O-N 3.43Å; S84-T87 VanDerWaalsContact O-N 3.17Å; S84-T87 PolarHBondContact O-OG1 2.69Å; S84-T87 WeakPolarHBondContact OG-CG2 3.47Å; S84-T87 PolarHBondContact OG-N 3Å; S84-T87 PolarHBondContact OG-OG1 3.13Å; S84-T87 VanDerWaalsContact OG-OG1 3.13Å; S84-L88 VanDerWaalsContact O-CG 3.3Å; S84-L88 WeakPolarHBondContact O-CG 3.35Å; S84-L88 PolarHBondContact O-N 3.31Å; S84-I224 WeakPolarHBondContact CA-O 2.98Å
85A94.6Very high96.5Very high16 Ų1642.5 Ų42.513%0.13225%0.247CC..THydrogen-bonded Turntrans-53.5-36.6173.900000112.8W77 F179 I224W77-A85 HydrophobicContact CH2-CB 3.94Å; W77-A85 HydrophobicContact CZ2-CB 3.7Å; A85-F179 HydrophobicContact CB-CD2 4.18Å; A85-F179 HydrophobicContact CB-CE2 4.08Å; A85-I224 HydrophobicContact CB-CG2 4.47Å; A85-I224 PolarHBondContact N-O 3.41Å; A85-I224 VanDerWaalsContact N-O 3.16Å
86A93.9Very high96.6Very high68 Ų6842.2 Ų42.256%0.56225%0.246SC*.THydrogen-bonded Turntrans-69.7-46178.300000112.2S84 L88 H89S84-A86 PolarHBondContact O-N 3.11Å; S84-A86 VanDerWaalsContact O-N 3.16Å; A86-L88 VanDerWaalsContact C-N 3.3Å; A86-L88 PolarHBondContact O-N 3.28Å; A86-H89 WeakPolarHBondContact O-CB 3.29Å; A86-H89 PolarHBondContact O-CD2 2.92Å; A86-H89 PolarHBondContact O-N 3.4Å
87T95.5Very high96.6Very high92 Ų9246.2 Ų46.256%0.56426%0.261SS*.THydrogen-bonded Turntrans-70.4-27.8-177.555.60000112.7S84S84-T87 PolarHBondContact N-OG1 3.4Å; S84-T87 PolarHBondContact O-N 3.43Å; S84-T87 VanDerWaalsContact O-N 3.17Å; S84-T87 PolarHBondContact O-OG1 2.69Å; S84-T87 WeakPolarHBondContact OG-CG2 3.47Å; S84-T87 PolarHBondContact OG-N 3Å; S84-T87 PolarHBondContact OG-OG1 3.13Å; S84-T87 VanDerWaalsContact OG-OG1 3.13Å
88L97Very high96.7Very high13 Ų1347.2 Ų47.27%0.06827%0.268CS..THydrogen-bonded Turntrans-85.4-6.5-178.3-62.5178.7000113.8W77 L80 S84 A86 M90 A91 V92 I224W77-L88 HydrophobicContact CG-CD1 4.22Å; L80-L88 HydrophobicContact CB-CD1 4.45Å; L80-L88 HydrophobicContact CB-CD2 3.56Å; L80-L88 HydrophobicContact CD1-CD2 3.83Å; L80-L88 HydrophobicContact CG-CD2 4.37Å; S84-L88 VanDerWaalsContact O-CG 3.3Å; S84-L88 WeakPolarHBondContact O-CG 3.35Å; S84-L88 PolarHBondContact O-N 3.31Å; A86-L88 VanDerWaalsContact C-N 3.3Å; A86-L88 PolarHBondContact O-N 3.28Å; L88-M90 VanDerWaalsContact C-N 3.26Å; L88-M90 PolarHBondContact O-N 3.45Å; L88-M90 VanDerWaalsContact O-N 3.15Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-V92 HydrophobicContact CB-CG2 4.44Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.33Å; L88-V92 PolarHBondContact O-N 3.4Å; L88-I224 HydrophobicContact CD1-CG2 4.27Å
89H95.6Very high96.8Very high67 Ų6745.1 Ų45.131%0.3126%0.255SS..Hα-helixtrans-60.8-29.6-169.175.2159.5000114.7A86 R93 V183A86-H89 WeakPolarHBondContact O-CB 3.29Å; A86-H89 PolarHBondContact O-CD2 2.92Å; A86-H89 PolarHBondContact O-N 3.4Å; H89-R93 VanDerWaalsContact O-CB 3.28Å; H89-R93 WeakPolarHBondContact O-CB 3.32Å; H89-R93 PolarHBondContact O-N 2.84Å; H89-V183 HydrophobicContact CB-CG1 3.9Å; H89-V183 HydrophobicContact CB-CG2 4.35Å; H89-V183 WeakPolarHBondContact ND1-CG2 3.17Å
90M96.6Very high96.9Very high103 Ų10341.8 Ų41.851%0.50724%0.235SC..Hα-helixtrans-71.3-52.4177-67.8-169.4-69.200110.4L88 V92 R93 D94L88-M90 VanDerWaalsContact C-N 3.26Å; L88-M90 PolarHBondContact O-N 3.45Å; L88-M90 VanDerWaalsContact O-N 3.15Å; M90-V92 VanDerWaalsContact C-N 3.27Å; M90-V92 PolarHBondContact O-N 3.29Å; M90-R93 WeakPolarHBondContact O-CB 3.41Å; M90-R93 PolarHBondContact O-N 3.34Å; M90-D94 WeakPolarHBondContact O-CB 3.31Å; M90-D94 PolarHBondContact O-N 3.46Å
91A98.3Very high97Very high22 Ų2241 Ų4118%0.18223%0.23CC..Hα-helixtrans-56.9-41.2176.400000112.3V76 L88 L95V76-A91 HydrophobicContact CG1-CB 3.68Å; L88-A91 PolarHBondContact O-N 3.43Å; A91-L95 WeakPolarHBondContact O-CB 3.42Å; A91-L95 PolarHBondContact O-N 2.81Å
92V98.4Very high97.2Very high0 Ų039.4 Ų39.40%022%0.22CC..Hα-helixtrans-61.5-48.3174.4172.20000111.1A73 V76 L88 M90 V96 R177 F178A73-V92 HydrophobicContact CB-CB 4.29Å; A73-V92 HydrophobicContact CB-CG1 3.64Å; A73-V92 HydrophobicContact CB-CG2 4.16Å; V76-V92 HydrophobicContact CB-CG2 4.22Å; V76-V92 HydrophobicContact CG1-CG2 4.02Å; L88-V92 HydrophobicContact CB-CG2 4.44Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.33Å; L88-V92 PolarHBondContact O-N 3.4Å; M90-V92 VanDerWaalsContact C-N 3.27Å; M90-V92 PolarHBondContact O-N 3.29Å; V92-V96 WeakPolarHBondContact O-CB 3.48Å; V92-V96 VanDerWaalsContact O-CG2 3.24Å; V92-V96 WeakPolarHBondContact O-CG2 3.02Å; V92-V96 PolarHBondContact O-N 3.33Å; V92-R177 HydrophobicContact CG1-CB 4.25Å; V92-F178 HydrophobicContact CB-CE1 4.28Å; V92-F178 HydrophobicContact CB-CZ 4.4Å; V92-F178 HydrophobicContact CG1-CD1 4.17Å; V92-F178 HydrophobicContact CG1-CD2 4.47Å; V92-F178 HydrophobicContact CG1-CE1 3.53Å; V92-F178 HydrophobicContact CG1-CE2 3.88Å; V92-F178 HydrophobicContact CG1-CZ 3.38Å
93R98.4Very high97.3Very high44 Ų4436.8 Ų36.817%0.16621%0.209CC..Hα-helixtrans-62.9-44.3179.6179.5-166.864.4-136.7-8.9111.8H89 M90 V96 R97 F178 V183 L187H89-R93 VanDerWaalsContact O-CB 3.28Å; H89-R93 WeakPolarHBondContact O-CB 3.32Å; H89-R93 PolarHBondContact O-N 2.84Å; M90-R93 WeakPolarHBondContact O-CB 3.41Å; M90-R93 PolarHBondContact O-N 3.34Å; R93-V96 PolarHBondContact O-N 3.46Å; R93-R97 WeakPolarHBondContact O-CB 3.46Å; R93-R97 PolarHBondContact O-N 3.48Å; R93-F178 HydrophobicContact CB-CE1 4.18Å; R93-F178 HydrophobicContact CB-CZ 4.46Å; R93-V183 HydrophobicContact CB-CG1 4.5Å; R93-V183 WeakPolarHBondContact CD-O 3.37Å; R93-L187 HydrophobicContact CG-CD1 3.94Å; R93-L187 HydrophobicContact CG-CD2 3.82Å; R93-L187 HydrophobicContact CG-CG 3.78Å
94D98.3Very high97.5Very high77 Ų7736 Ų3641%0.41220%0.2SC..Hα-helixtrans-69.8-40.1-175.3-59.6-11.8000110.2M90 R97 S98M90-D94 WeakPolarHBondContact O-CB 3.31Å; M90-D94 PolarHBondContact O-N 3.46Å; D94-R97 WeakPolarHBondContact O-CB 3.07Å; D94-R97 PolarHBondContact O-N 3.17Å; D94-S98 PolarHBondContact O-N 2.83Å
95L98.8Very high97.6Very high1 Ų139.1 Ų39.11%0.00522%0.215CC..Hα-helixtrans-57-51.8169.1179.475.7000111.7P72 A73 V76 A91 R97 S98 V99 V106 F107 Y110P72-L95 VanDerWaalsContact C-CD2 3.48Å; P72-L95 HydrophobicContact CB-CD2 4.21Å; P72-L95 VanDerWaalsContact O-CD2 3.28Å; P72-L95 WeakPolarHBondContact O-CD2 3.37Å; A73-L95 HydrophobicContact CB-CD2 4.31Å; V76-L95 HydrophobicContact CG2-CB 4.2Å; V76-L95 HydrophobicContact CG2-CD2 3.66Å; V76-L95 HydrophobicContact CG2-CG 4.49Å; A91-L95 WeakPolarHBondContact O-CB 3.42Å; A91-L95 PolarHBondContact O-N 2.81Å; L95-R97 VanDerWaalsContact C-N 3.26Å; L95-R97 PolarHBondContact O-N 3.5Å; L95-S98 PolarHBondContact O-N 2.79Å; L95-V99 HydrophobicContact CD1-CG2 4.39Å; L95-V99 HydrophobicContact CG-CG2 4.43Å; L95-V99 VanDerWaalsContact O-CG2 3.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 3.45Å; L95-V106 HydrophobicContact CB-CG2 4.45Å; L95-V106 HydrophobicContact CD1-CB 4.14Å; L95-V106 HydrophobicContact CD1-CG1 3.47Å; L95-V106 VanDerWaalsContact CD1-CG1 3.47Å; L95-V106 HydrophobicContact CD1-CG2 3.73Å; L95-F107 HydrophobicContact CD1-CD1 4Å; L95-F107 HydrophobicContact CD1-CE1 3.8Å; L95-F107 HydrophobicContact CD1-CG 4.46Å; L95-F107 HydrophobicContact CD1-CZ 4.16Å; L95-F107 HydrophobicContact CD2-CE1 4.12Å; L95-F107 HydrophobicContact CG-CE1 4.45Å; L95-Y110 HydrophobicContact CD1-CD2 4.11Å; L95-Y110 HydrophobicContact CD1-CE2 4.07Å
96V98.8Very high97.8Very high0 Ų039.8 Ų39.80%022%0.217CC..Hα-helixtrans-59.6-39.1-178.9164.80000111.2L44 V92 R93 F100 L173 E175 F178 L187L44-V96 HydrophobicContact CD1-CG1 4.45Å; V92-V96 WeakPolarHBondContact O-CB 3.48Å; V92-V96 VanDerWaalsContact O-CG2 3.24Å; V92-V96 WeakPolarHBondContact O-CG2 3.02Å; V92-V96 PolarHBondContact O-N 3.33Å; R93-V96 PolarHBondContact O-N 3.46Å; V96-F100 HydrophobicContact CG1-CD2 3.7Å; V96-F100 HydrophobicContact CG1-CE2 3.4Å; V96-F100 VanDerWaalsContact CG1-CE2 3.4Å; V96-F100 HydrophobicContact CG1-CZ 4.33Å; V96-F100 VanDerWaalsContact O-CD2 3.23Å; V96-F100 WeakPolarHBondContact O-CD2 3.48Å; V96-F100 PolarHBondContact O-N 2.74Å; V96-L173 HydrophobicContact CG1-CD1 4.06Å; V96-E175 HydrophobicContact CG2-CG 4.08Å; V96-F178 HydrophobicContact CB-CZ 4.4Å; V96-F178 HydrophobicContact CG2-CE2 4.04Å; V96-F178 HydrophobicContact CG2-CZ 4.09Å; V96-L187 HydrophobicContact CG1-CD1 3.97Å
97R98.7Very high98Very high84 Ų8436.5 Ų36.532%0.31719%0.19SC..Hα-helixtrans-60.5-53.3175.2-170.3-179.9175.9-79.7-7.6112R93 D94 L95 V99 F100 L101 L187 D190 L193R93-R97 WeakPolarHBondContact O-CB 3.46Å; R93-R97 PolarHBondContact O-N 3.48Å; D94-R97 WeakPolarHBondContact O-CB 3.07Å; D94-R97 PolarHBondContact O-N 3.17Å; L95-R97 VanDerWaalsContact C-N 3.26Å; L95-R97 PolarHBondContact O-N 3.5Å; R97-V99 VanDerWaalsContact C-N 3.3Å; R97-V99 PolarHBondContact O-N 3.17Å; R97-F100 WeakPolarHBondContact O-CB 3.16Å; R97-F100 PolarHBondContact O-N 2.79Å; R97-L101 HydrophobicContact CG-CD1 4.45Å; R97-L101 PolarHBondContact O-N 2.76Å; R97-L101 VanDerWaalsContact O-N 3.14Å; R97-L187 HydrophobicContact CB-CD2 3.61Å; R97-L187 HydrophobicContact CG-CD2 3.75Å; R97-D190 IonicContact CZ-OD2 2.67Å; R97-D190 IonicContact NE-OD2 3.8Å; R97-D190 PolarHBondContact NE-OD2 2.92Å; R97-D190 IonicContact NH2-OD1 2.8Å; R97-D190 IonicContact NH2-OD2 3.08Å; R97-D190 PolarHBondContact NH2-OD2 3.31Å; R97-L193 HydrophobicContact CG-CD1 4.32Å
98S98.8Very high98Very high22 Ų2236.3 Ų36.315%0.15419%0.186CC..Hα-helixtrans-58.8-44179.8-74.70000111.4D94 L95 F100 L101 C102 D103D94-S98 PolarHBondContact O-N 2.83Å; L95-S98 PolarHBondContact O-N 2.79Å; S98-F100 PolarHBondContact O-N 2.97Å; S98-L101 CarbonylContact O-C 3.35Å; S98-L101 WeakPolarHBondContact O-CA 3.34Å; S98-L101 PolarHBondContact O-N 2.75Å; S98-L101 VanDerWaalsContact O-N 3.08Å; S98-C102 PolarHBondContact O-N 3.27Å; S98-D103 CarbonylContact C-O 3.43Å; S98-D103 WeakPolarHBondContact O-CB 3.36Å; S98-D103 PolarHBondContact O-N 2.78Å
99V98.8Very high98Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-63.9-39.4178177.60000112L69 P72 L95 R97 L101 C102 M104 V106 F107 L173L69-V99 HydrophobicContact CD1-CG1 3.67Å; P72-V99 HydrophobicContact CB-CG2 4.46Å; L95-V99 HydrophobicContact CD1-CG2 4.39Å; L95-V99 HydrophobicContact CG-CG2 4.43Å; L95-V99 VanDerWaalsContact O-CG2 3.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.42Å; L95-V99 PolarHBondContact O-N 3.45Å; R97-V99 VanDerWaalsContact C-N 3.3Å; R97-V99 PolarHBondContact O-N 3.17Å; V99-L101 PolarHBondContact O-N 2.68Å; V99-C102 WeakPolarHBondContact O-CA 3.28Å; V99-C102 PolarHBondContact O-N 3.12Å; V99-M104 HydrophobicContact CG1-CE 4.12Å; V99-M104 HydrophobicContact CG1-SD 4.39Å; V99-M104 HydrophobicContact CG2-SD 4.42Å; V99-V106 HydrophobicContact CG2-CG1 4.19Å; V99-F107 HydrophobicContact CG2-CE2 3.65Å; V99-F107 HydrophobicContact CG2-CZ 3.77Å; V99-L173 HydrophobicContact CB-CD1 4.01Å; V99-L173 HydrophobicContact CG1-CD1 3.8Å; V99-L173 HydrophobicContact CG1-CD2 3.58Å; V99-L173 HydrophobicContact CG1-CG 4.35Å
100F98.8Very high98.1Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-59.1-37.3173.7-84.9-48.5000112.4H42 V43 L44 V96 R97 S98 C102 V171 L173 L193 L195H42-F100 HydrophobicContact CB-CD1 3.73Å; H42-F100 HydrophobicContact CB-CE1 3.97Å; H42-F100 HydrophobicContact CB-CG 4.23Å; H42-F100 AromaticContact CD2-CD1 3.85Å; H42-F100 PolarHBondContact CD2-O 3.28Å; H42-F100 VanDerWaalsContact CD2-O 3.3Å; H42-F100 PolarHBondContact NE2-O 2.71Å; V43-F100 WeakPolarHBondContact O-CE1 3.33Å; L44-F100 HydrophobicContact CB-CZ 4.01Å; L44-F100 HydrophobicContact CD1-CE2 4.49Å; L44-F100 HydrophobicContact CD1-CZ 4.19Å; V96-F100 HydrophobicContact CG1-CD2 3.7Å; V96-F100 HydrophobicContact CG1-CE2 3.4Å; V96-F100 VanDerWaalsContact CG1-CE2 3.4Å; V96-F100 HydrophobicContact CG1-CZ 4.33Å; V96-F100 VanDerWaalsContact O-CD2 3.23Å; V96-F100 WeakPolarHBondContact O-CD2 3.48Å; V96-F100 PolarHBondContact O-N 2.74Å; R97-F100 WeakPolarHBondContact O-CB 3.16Å; R97-F100 PolarHBondContact O-N 2.79Å; S98-F100 PolarHBondContact O-N 2.97Å; F100-C102 PolarHBondContact O-N 3.29Å; F100-V171 HydrophobicContact CD1-CB 4.3Å; F100-V171 HydrophobicContact CD1-CG1 3.79Å; F100-V171 HydrophobicContact CE1-CG1 4.42Å; F100-L173 HydrophobicContact CD1-CD1 3.65Å; F100-L173 HydrophobicContact CD1-CG 3.86Å; F100-L173 HydrophobicContact CD2-CD1 3.95Å; F100-L173 HydrophobicContact CE1-CB 3.98Å; F100-L173 HydrophobicContact CE1-CD1 3.61Å; F100-L173 HydrophobicContact CE1-CG 3.49Å; F100-L173 VanDerWaalsContact CE1-CG 3.49Å; F100-L173 HydrophobicContact CE2-CD1 3.93Å; F100-L173 HydrophobicContact CG-CD1 3.81Å; F100-L173 HydrophobicContact CZ-CB 3.96Å; F100-L173 HydrophobicContact CZ-CD1 3.75Å; F100-L173 HydrophobicContact CZ-CG 3.87Å; F100-L193 HydrophobicContact CB-CD2 3.77Å; F100-L195 HydrophobicContact CE1-CD1 4.48Å; F100-L195 HydrophobicContact CE2-CD1 3.83Å; F100-L195 HydrophobicContact CZ-CD1 3.78Å
101L98.4Very high98.2Very high57 Ų5734 Ų3430%0.29818%0.184SC..THydrogen-bonded Turntrans-79.75.9175.9-62175.6000113.4R97 S98 V99 D103 L193R97-L101 HydrophobicContact CG-CD1 4.45Å; R97-L101 PolarHBondContact O-N 2.76Å; R97-L101 VanDerWaalsContact O-N 3.14Å; S98-L101 CarbonylContact O-C 3.35Å; S98-L101 WeakPolarHBondContact O-CA 3.34Å; S98-L101 PolarHBondContact O-N 2.75Å; S98-L101 VanDerWaalsContact O-N 3.08Å; V99-L101 PolarHBondContact O-N 2.68Å; L101-D103 PolarHBondContact O-N 2.86Å; L101-L193 HydrophobicContact CD2-CD2 3.64Å; L101-L193 HydrophobicContact CG-CD2 4.11Å
102C98.6Very high98Very high0 Ų036.5 Ų36.50%020%0.198CC..THydrogen-bonded Turntrans55.636.7-174.2-56.20000113.2S98 V99 F100 Q162 C165 R166S98-C102 PolarHBondContact O-N 3.27Å; V99-C102 WeakPolarHBondContact O-CA 3.28Å; V99-C102 PolarHBondContact O-N 3.12Å; F100-C102 PolarHBondContact O-N 3.29Å; C102-Q162 WeakPolarHBondContact O-CG 3.31Å; C102-Q162 PolarHBondContact O-OE1 3.29Å; C102-C165 WeakPolarHBondContact CA-SG 3.37Å; C102-C165 HydrophobicContact CB-CB 3.6Å; C102-C165 WeakPolarHBondContact CB-SG 3.12Å; C102-C165 WeakPolarHBondContact SG-CB 3.33Å; C102-C165 PolarHBondContact SG-O 3.01Å; C102-C165 CovalentContact SG-SG 2.04Å; C102-C165 PolarHBondContact SG-SG 3.31Å; C102-R166 HydrophobicContact CB-CG 3.68Å
103D98.4Very high97.6Very high58 Ų5846.6 Ų46.631%0.3124%0.237SC..  trans-98.3106.4165.8171.115.2000108S98 L101 D105 V106S98-D103 CarbonylContact C-O 3.43Å; S98-D103 WeakPolarHBondContact O-CB 3.36Å; S98-D103 PolarHBondContact O-N 2.78Å; L101-D103 PolarHBondContact O-N 2.86Å; D103-D105 WeakPolarHBondContact OD1-CB 3.42Å; D103-D105 PolarHBondContact OD1-N 2.89Å; D103-V106 WeakPolarHBondContact O-CG1 3.35Å
104M98.1Very high97.3Very high2 Ų254.5 Ų54.51%0.0127%0.266CS..  trans-96.3-2-179-58.4-65.516900112.4F67 L69 V99 V106 F107 F158 A161 Q162 C165F67-M104 HydrophobicContact CE1-CE 3.75Å; F67-M104 HydrophobicContact CZ-CE 3.7Å; L69-M104 HydrophobicContact CD1-CE 4.24Å; L69-M104 HydrophobicContact CD1-SD 4.48Å; V99-M104 HydrophobicContact CG1-CE 4.12Å; V99-M104 HydrophobicContact CG1-SD 4.39Å; V99-M104 HydrophobicContact CG2-SD 4.42Å; M104-V106 PolarHBondContact O-N 2.79Å; M104-F107 HydrophobicContact CB-CD2 4.37Å; M104-F107 WeakPolarHBondContact O-CD2 3.42Å; M104-F107 PolarHBondContact O-N 3.26Å; M104-F107 HydrophobicContact SD-CD2 4.28Å; M104-F107 HydrophobicContact SD-CE2 3.79Å; M104-F158 HydrophobicContact CB-CE1 3.87Å; M104-F158 HydrophobicContact CB-CZ 4.47Å; M104-A161 HydrophobicContact CG-CB 4.38Å; M104-Q162 HydrophobicContact CB-CB 4.12Å; M104-Q162 HydrophobicContact CG-CB 3.68Å; M104-C165 HydrophobicContact CE-CB 3.8Å
105D97.2Very high97.2Very high95 Ų9552.5 Ų52.551%0.50825%0.253SS..G310 helixtrans-70.9-23.5178.6-63.2-17.8000110.6D103 F107 D108D103-D105 WeakPolarHBondContact OD1-CB 3.42Å; D103-D105 PolarHBondContact OD1-N 2.89Å; D105-F107 PolarHBondContact O-N 2.86Å; D105-D108 WeakPolarHBondContact O-CB 3.43Å; D105-D108 PolarHBondContact O-N 2.85Å
106V97.9Very high97.1Very high30 Ų3055.1 Ų55.118%0.18227%0.267CS..G310 helixtrans-52-24.5170.6690000113.8L95 V99 D103 M104 D108L95-V106 HydrophobicContact CB-CG2 4.45Å; L95-V106 HydrophobicContact CD1-CB 4.14Å; L95-V106 HydrophobicContact CD1-CG1 3.47Å; L95-V106 VanDerWaalsContact CD1-CG1 3.47Å; L95-V106 HydrophobicContact CD1-CG2 3.73Å; V99-V106 HydrophobicContact CG2-CG1 4.19Å; D103-V106 WeakPolarHBondContact O-CG1 3.35Å; M104-V106 PolarHBondContact O-N 2.79Å; V106-D108 VanDerWaalsContact C-N 3.27Å; V106-D108 PolarHBondContact O-N 3.03Å
107F98.3Very high97.1Very high0 Ų055.1 Ų55.10%027%0.267CS..G310 helixtrans-73.4-13.5175.4-72.9-71.2000113.7P72 H75 L95 V99 M104 D105 A109 Y110 L111 L120 F158P72-F107 HydrophobicContact CB-CE1 4.21Å; P72-F107 HydrophobicContact CB-CZ 3.78Å; H75-F107 AromaticContact CD2-CD1 3.93Å; H75-F107 AromaticContact CD2-CE1 3.61Å; L95-F107 HydrophobicContact CD1-CD1 4Å; L95-F107 HydrophobicContact CD1-CE1 3.8Å; L95-F107 HydrophobicContact CD1-CG 4.46Å; L95-F107 HydrophobicContact CD1-CZ 4.16Å; L95-F107 HydrophobicContact CD2-CE1 4.12Å; L95-F107 HydrophobicContact CG-CE1 4.45Å; V99-F107 HydrophobicContact CG2-CE2 3.65Å; V99-F107 HydrophobicContact CG2-CZ 3.77Å; M104-F107 HydrophobicContact CB-CD2 4.37Å; M104-F107 WeakPolarHBondContact O-CD2 3.42Å; M104-F107 PolarHBondContact O-N 3.26Å; M104-F107 HydrophobicContact SD-CD2 4.28Å; M104-F107 HydrophobicContact SD-CE2 3.79Å; D105-F107 PolarHBondContact O-N 2.86Å; F107-A109 PolarHBondContact O-N 2.87Å; F107-A109 VanDerWaalsContact O-N 3.16Å; F107-Y110 CarbonylContact O-C 3.58Å; F107-Y110 PolarHBondContact O-N 2.98Å; F107-L111 HydrophobicContact CB-CD1 3.98Å; F107-L111 HydrophobicContact CB-CG 4.33Å; F107-L111 HydrophobicContact CD1-CD1 4.17Å; F107-L111 HydrophobicContact CD1-CG 4.5Å; F107-L111 HydrophobicContact CG-CD1 4.24Å; F107-L111 WeakPolarHBondContact O-CB 3.34Å; F107-L111 PolarHBondContact O-N 3.3Å; F107-L120 HydrophobicContact CD1-CD2 4.34Å; F107-L120 HydrophobicContact CD2-CD2 4.17Å; F107-L120 HydrophobicContact CE1-CD2 4.02Å; F107-L120 HydrophobicContact CE2-CD2 3.78Å; F107-L120 HydrophobicContact CG-CD2 4.42Å; F107-L120 HydrophobicContact CZ-CD2 3.71Å; F107-F158 HydrophobicContact CB-CE1 4.38Å; F107-F158 HydrophobicContact CB-CZ 3.8Å; F107-F158 HydrophobicContact CD2-CE1 4.36Å; F107-F158 AromaticContact CD2-CZ 3.65Å; F107-F158 HydrophobicContact CD2-CZ 3.65Å; F107-F158 HydrophobicContact CE2-CZ 4.48Å; F107-F158 AromaticContact CG-CZ 3.9Å; F107-F158 HydrophobicContact CG-CZ 3.9Å
108D96.9Very high97Very high88 Ų8853.3 Ų53.347%0.47127%0.268SS..G310 helixtrans-56-29.9173.6-76-26.1000112.4D105 V106 Y110 R115D105-D108 WeakPolarHBondContact O-CB 3.43Å; D105-D108 PolarHBondContact O-N 2.85Å; V106-D108 VanDerWaalsContact C-N 3.27Å; V106-D108 PolarHBondContact O-N 3.03Å; D108-Y110 VanDerWaalsContact C-N 3.26Å; D108-Y110 PolarHBondContact O-N 2.97Å; D108-R115 IonicContact OD1-CZ 3.48Å; D108-R115 IonicContact OD1-NH1 2.68Å; D108-R115 PolarHBondContact OD1-NH1 3.3Å; D108-R115 IonicContact OD1-NH2 2.85Å; D108-R115 PolarHBondContact OD1-NH2 3.27Å
109A97.1Very high97Very high68 Ų6855 Ų5556%0.56228%0.275SS*.G310 helixtrans-72.2-17.4176.900000113.6F107F107-A109 PolarHBondContact O-N 2.87Å; F107-A109 VanDerWaalsContact O-N 3.16Å
110Y97.6Very high96.9Very high43 Ų4355.4 Ų55.417%0.16928%0.277CS..THydrogen-bonded Turntrans-131.6-13.9-168-49.2-63.3000114.8V76 T79 L80 L95 F107 D108V76-Y110 HydrophobicContact CB-CE1 4.43Å; V76-Y110 HydrophobicContact CG1-CE1 4.35Å; V76-Y110 HydrophobicContact CG2-CD1 4.47Å; V76-Y110 HydrophobicContact CG2-CD2 4.21Å; V76-Y110 HydrophobicContact CG2-CE1 4.13Å; V76-Y110 HydrophobicContact CG2-CE2 3.84Å; T79-Y110 HydrophobicContact CG2-CD1 4.3Å; T79-Y110 PolarHBondContact OG1-O 3.39Å; L80-Y110 HydrophobicContact CD1-CE1 4.3Å; L95-Y110 HydrophobicContact CD1-CD2 4.11Å; L95-Y110 HydrophobicContact CD1-CE2 4.07Å; F107-Y110 CarbonylContact O-C 3.58Å; F107-Y110 PolarHBondContact O-N 2.98Å; D108-Y110 VanDerWaalsContact C-N 3.26Å; D108-Y110 PolarHBondContact O-N 2.97Å
111L97Very high96.9Very high22 Ų2257.6 Ų57.612%0.11529%0.287CS..SBendtrans-120.4154.1179.2-71.5-176.5000110.9F107 D119 L120 F158F107-L111 HydrophobicContact CB-CD1 3.98Å; F107-L111 HydrophobicContact CB-CG 4.33Å; F107-L111 HydrophobicContact CD1-CD1 4.17Å; F107-L111 HydrophobicContact CD1-CG 4.5Å; F107-L111 HydrophobicContact CG-CD1 4.24Å; F107-L111 WeakPolarHBondContact O-CB 3.34Å; F107-L111 PolarHBondContact O-N 3.3Å; L111-D119 HydrophobicContact CD1-CB 4.33Å; L111-D119 HydrophobicContact CD2-CB 4.39Å; L111-L120 HydrophobicContact CD1-CD2 4.47Å; L111-F158 HydrophobicContact CD1-CE2 3.73Å; L111-F158 HydrophobicContact CD1-CZ 4.17Å
112P94.1Very high96.8Very high75 Ų7558.2 Ų58.249%0.48729%0.288SS..  trans-62.2155.3173.827.6-35000111.6R114 R115P112-R114 PolarHBondContact O-N 3.02Å; P112-R115 WeakPolarHBondContact O-CD 3.38Å; P112-R115 WeakPolarHBondContact O-CG 3.46Å; P112-R115 PolarHBondContact O-NH1 3.37Å
113W90.7Very high96.7Very high212 Ų21259.1 Ų59.180%0.80329%0.291SS*.SBendtrans-61.2-42.9179.2-177.669.2000112.6R115W113-R115 PolarHBondContact O-N 3.27Å
114R92.9Very high96.7Very high210 Ų21056.4 Ų56.479%0.79228%0.277SS*.SBendtrans-86.3104.9171.1-64.6-171.6-175.9-178.11.5109.1P112P112-R114 PolarHBondContact O-N 3.02Å
115R95.4Very high96.6Very high35 Ų3557 Ų5713%0.13228%0.28CS..  trans-142.3149.9-177.555.3-179.7-173.1-92.81.6111.9D108 P112 W113 D119 F158D108-R115 IonicContact OD1-CZ 3.48Å; D108-R115 IonicContact OD1-NH1 2.68Å; D108-R115 PolarHBondContact OD1-NH1 3.3Å; D108-R115 IonicContact OD1-NH2 2.85Å; D108-R115 PolarHBondContact OD1-NH2 3.27Å; P112-R115 WeakPolarHBondContact O-CD 3.38Å; P112-R115 WeakPolarHBondContact O-CG 3.46Å; P112-R115 PolarHBondContact O-NH1 3.37Å; W113-R115 PolarHBondContact O-N 3.27Å; R115-D119 WeakPolarHBondContact CA-OD2 3.26Å; R115-D119 HydrophobicContact CB-CB 4.12Å; R115-D119 WeakPolarHBondContact CB-OD2 3.01Å; R115-F158 HydrophobicContact CB-CD2 4.39Å; R115-F158 HydrophobicContact CG-CB 3.83Å; R115-F158 HydrophobicContact CG-CD1 4.4Å; R115-F158 HydrophobicContact CG-CD2 3.91Å; R115-F158 HydrophobicContact CG-CG 3.8Å; R115-F158 VanDerWaalsContact NE-CE1 3.32Å; R115-F158 WeakPolarHBondContact O-CB 3.48Å
116N97.8Very high96.6Very high57 Ų5752.5 Ų52.531%0.30526%0.257SS..BIsolated β-bridgetrans-112.7174.9172.8-59.4-42.8000109.7S118 D119 A154 Q156N116-S118 PolarHBondContact O-N 2.04Å; N116-S118 VanDerWaalsContact O-N 3.08Å; N116-D119 PolarHBondContact N-OD2 3.35Å; N116-D119 PolarHBondContact O-N 2.81Å; N116-D119 VanDerWaalsContact O-N 3.07Å; N116-A154 VanDerWaalsContact CB-O 3.24Å; N116-A154 WeakPolarHBondContact CB-O 3.34Å; N116-Q156 WeakPolarHBondContact CA-O 3.48Å; N116-Q156 WeakPolarHBondContact CB-O 3.43Å
117L97Very high96.6Very high0 Ų051.1 Ų51.10%025%0.248CC..G310 helixtrans-52.5-31.3170.1-67.6-172.3000112.4D119 L120 W123 L129 A134 Q156 A161L117-D119 PolarHBondContact O-N 2.84Å; L117-D119 VanDerWaalsContact O-N 3.13Å; L117-L120 PolarHBondContact O-N 2.88Å; L117-L120 VanDerWaalsContact O-N 3.11Å; L117-W123 HydrophobicContact CB-CE3 4.26Å; L117-W123 VanDerWaalsContact O-CB 3.31Å; L117-W123 WeakPolarHBondContact O-CB 3.04Å; L117-W123 VanDerWaalsContact O-CG 3.3Å; L117-L129 HydrophobicContact CD2-CD2 4.26Å; L117-A134 HydrophobicContact CD1-CB 4.06Å; L117-Q156 HydrophobicContact CB-CB 4.49Å; L117-Q156 HydrophobicContact CD1-CB 3.58Å; L117-Q156 HydrophobicContact CD1-CG 4.39Å; L117-Q156 HydrophobicContact CG-CB 3.87Å; L117-Q156 PolarHBondContact N-O 3.23Å; L117-A161 HydrophobicContact CD2-CB 3.71Å
118S97.4Very high96.6Very high46 Ų4651.1 Ų51.132%0.32225%0.248SC..G310 helixtrans-62.6-18.8-179.661.90000115.8N116 L120 W123 A154N116-S118 PolarHBondContact O-N 2.04Å; N116-S118 VanDerWaalsContact O-N 3.08Å; S118-L120 VanDerWaalsContact C-N 3.3Å; S118-W123 VanDerWaalsContact CA-CD1 3.45Å; S118-A154 VanDerWaalsContact CB-O 3.26Å; S118-A154 WeakPolarHBondContact CB-O 3.42Å; S118-A154 PolarHBondContact N-O 3.42Å; S118-A154 PolarHBondContact OG-O 3.17Å
119D97.8Very high96.7Very high58 Ų5846.9 Ų46.931%0.3123%0.226SC..G310 helixtrans-80.6-12.9179.5-61.1-61.5000112.3H75 L111 R115 N116 L117H75-D119 PolarHBondContact CE1-O 3.07Å; H75-D119 PolarHBondContact NE2-O 3.47Å; L111-D119 HydrophobicContact CD1-CB 4.33Å; L111-D119 HydrophobicContact CD2-CB 4.39Å; R115-D119 WeakPolarHBondContact CA-OD2 3.26Å; R115-D119 HydrophobicContact CB-CB 4.12Å; R115-D119 WeakPolarHBondContact CB-OD2 3.01Å; N116-D119 PolarHBondContact N-OD2 3.35Å; N116-D119 PolarHBondContact O-N 2.81Å; N116-D119 VanDerWaalsContact O-N 3.07Å; L117-D119 PolarHBondContact O-N 2.84Å; L117-D119 VanDerWaalsContact O-N 3.13Å
120L98.1Very high96.8Very high7 Ų743.7 Ų43.74%0.03720%0.199CC..SBendtrans-71.4132.7167.8-70.8171.8000110.2L69 F107 L111 L117 S118 Q122 W123 L129 F158 A161L69-L120 HydrophobicContact CD2-CD1 4.27Å; F107-L120 HydrophobicContact CD1-CD2 4.34Å; F107-L120 HydrophobicContact CD2-CD2 4.17Å; F107-L120 HydrophobicContact CE1-CD2 4.02Å; F107-L120 HydrophobicContact CE2-CD2 3.78Å; F107-L120 HydrophobicContact CG-CD2 4.42Å; F107-L120 HydrophobicContact CZ-CD2 3.71Å; L111-L120 HydrophobicContact CD1-CD2 4.47Å; L117-L120 PolarHBondContact O-N 2.88Å; L117-L120 VanDerWaalsContact O-N 3.11Å; S118-L120 VanDerWaalsContact C-N 3.3Å; L120-Q122 PolarHBondContact O-N 3.22Å; L120-W123 HydrophobicContact CB-CB 3.82Å; L120-W123 WeakPolarHBondContact O-CB 3.02Å; L120-W123 PolarHBondContact O-N 3.38Å; L120-W123 VanDerWaalsContact O-N 3.17Å; L120-L129 HydrophobicContact CD1-CD1 4.08Å; L120-F158 HydrophobicContact CD1-CE2 4.11Å; L120-F158 HydrophobicContact CD2-CE2 3.68Å; L120-F158 HydrophobicContact CD2-CZ 4.01Å; L120-F158 HydrophobicContact CG-CD2 4.37Å; L120-F158 HydrophobicContact CG-CE2 3.63Å; L120-F158 HydrophobicContact CG-CZ 4.37Å; L120-A161 HydrophobicContact CD1-CB 4Å
121F97.6Very high96.8Very high47 Ų4741.6 Ų41.621%0.20619%0.191CC..THydrogen-bonded Turntrans-59.7126.1-179.8178.8-104.1000110.1M70 E71 W74 H75 W123M70-F121 HydrophobicContact CG-CE1 4.47Å; E71-F121 HydrophobicContact CB-CD1 3.84Å; E71-F121 HydrophobicContact CB-CE1 3.95Å; E71-F121 HydrophobicContact CG-CE1 4.39Å; W74-F121 HydrophobicContact CB-CB 4.12Å; W74-F121 HydrophobicContact CB-CD1 3.98Å; W74-F121 HydrophobicContact CB-CD2 4.36Å; W74-F121 HydrophobicContact CB-CE1 4.49Å; W74-F121 HydrophobicContact CB-CG 3.89Å; W74-F121 AromaticContact CD1-CD2 3.79Å; W74-F121 AromaticContact CD1-CE2 3.61Å; W74-F121 AromaticContact CD1-CZ 3.76Å; W74-F121 HydrophobicContact CD2-CB 4.11Å; W74-F121 AromaticContact CD2-CD2 3.45Å; W74-F121 HydrophobicContact CD2-CD2 3.45Å; W74-F121 VanDerWaalsContact CD2-CD2 3.45Å; W74-F121 AromaticContact CD2-CE2 3.98Å; W74-F121 HydrophobicContact CD2-CE2 3.98Å; W74-F121 AromaticContact CD2-CG 3.82Å; W74-F121 HydrophobicContact CD2-CG 3.82Å; W74-F121 AromaticContact CE2-CD2 3.57Å; W74-F121 AromaticContact CE2-CE2 3.7Å; W74-F121 HydrophobicContact CE3-CB 3.96Å; W74-F121 AromaticContact CE3-CD2 3.9Å; W74-F121 HydrophobicContact CE3-CD2 3.9Å; W74-F121 HydrophobicContact CE3-CG 4.16Å; W74-F121 HydrophobicContact CG-CB 4.2Å; W74-F121 HydrophobicContact CG-CD1 4.05Å; W74-F121 AromaticContact CG-CD2 3.65Å; W74-F121 HydrophobicContact CG-CD2 3.65Å; W74-F121 HydrophobicContact CG-CE1 4.32Å; W74-F121 AromaticContact CG-CE2 3.96Å; W74-F121 HydrophobicContact CG-CE2 3.96Å; W74-F121 AromaticContact CG-CG 3.69Å; W74-F121 HydrophobicContact CG-CG 3.69Å; W74-F121 HydrophobicContact CG-CZ 4.28Å; W74-F121 HydrophobicContact CZ2-CD2 4.16Å; W74-F121 HydrophobicContact CZ2-CE2 4.35Å; W74-F121 HydrophobicContact CZ3-CD2 4.43Å; W74-F121 AromaticContact NE1-CD2 3.75Å; W74-F121 AromaticContact NE1-CE2 3.43Å; W74-F121 AromaticContact NE1-CZ 3.97Å; H75-F121 PolarHBondContact NE2-N 3.25Å; F121-W123 PolarHBondContact O-N 3.33Å
122Q96.6Very high96.8Very high70 Ų7043.2 Ų43.233%0.32720%0.203SC..THydrogen-bonded Turntrans53.826.4-179.8-61.7-68.9-2300114.5M70 L120 A124 V125M70-Q122 HydrophobicContact CB-CB 4.03Å; M70-Q122 HydrophobicContact CG-CB 4.15Å; M70-Q122 HydrophobicContact CG-CG 4.47Å; M70-Q122 HydrophobicContact SD-CB 3.76Å; M70-Q122 HydrophobicContact SD-CG 3.8Å; L120-Q122 PolarHBondContact O-N 3.22Å; Q122-A124 PolarHBondContact O-N 3.45Å; Q122-V125 HydrophobicContact CB-CG1 4.35Å; Q122-V125 HydrophobicContact CB-CG2 4.26Å; Q122-V125 WeakPolarHBondContact O-CG2 3Å; Q122-V125 PolarHBondContact O-N 3.32Å
123W97.5Very high97Very high19 Ų1942.3 Ų42.37%0.07220%0.197CC..G310 helixtrans-46.6-40.7-175.669.9-82.9000114.9L117 S118 L120 F121 V125 S126 L129 C149 K150 C153 A154L117-W123 HydrophobicContact CB-CE3 4.26Å; L117-W123 VanDerWaalsContact O-CB 3.31Å; L117-W123 WeakPolarHBondContact O-CB 3.04Å; L117-W123 VanDerWaalsContact O-CG 3.3Å; S118-W123 VanDerWaalsContact CA-CD1 3.45Å; L120-W123 HydrophobicContact CB-CB 3.82Å; L120-W123 WeakPolarHBondContact O-CB 3.02Å; L120-W123 PolarHBondContact O-N 3.38Å; L120-W123 VanDerWaalsContact O-N 3.17Å; F121-W123 PolarHBondContact O-N 3.33Å; W123-V125 PolarHBondContact O-N 3.23Å; W123-V125 VanDerWaalsContact O-N 3.12Å; W123-S126 VanDerWaalsContact O-CB 3.23Å; W123-S126 WeakPolarHBondContact O-CB 3.47Å; W123-S126 PolarHBondContact O-N 3.09Å; W123-L129 HydrophobicContact CB-CD1 3.94Å; W123-L129 HydrophobicContact CE3-CB 4.43Å; W123-C149 WeakPolarHBondContact CH2-O 3.41Å; W123-C149 VanDerWaalsContact CZ3-SG 3.57Å; W123-K150 HydrophobicContact CZ2-CG 4.31Å; W123-C153 HydrophobicContact CH2-CB 3.59Å; W123-C153 HydrophobicContact CZ3-CB 3.5Å; W123-C153 VanDerWaalsContact CZ3-CB 3.5Å; W123-A154 HydrophobicContact CH2-CB 4.23Å; W123-A154 VanDerWaalsContact CH2-N 3.3Å; W123-A154 VanDerWaalsContact CZ2-CA 3.47Å; W123-A154 HydrophobicContact CZ2-CB 3.78Å
124A97.4Very high97.3Very high1 Ų132.2 Ų32.21%0.00816%0.159CC..G310 helixtrans-71.3-7.4-174.200000114.2Q122 S126 E146 C149 K150Q122-A124 PolarHBondContact O-N 3.45Å; A124-S126 VanDerWaalsContact C-N 3.26Å; A124-E146 HydrophobicContact CB-CG 3.92Å; A124-C149 HydrophobicContact CB-CB 4.42Å; A124-K150 HydrophobicContact CB-CB 4.48Å; A124-K150 HydrophobicContact CB-CD 4.33Å; A124-K150 HydrophobicContact CB-CG 3.38Å
125V96.6Very high97.6Very high13 Ų1322.7 Ų22.78%0.07912%0.124CC..G310 helixtrans-84.4-6.1171.1-43.60000111.5Q58 S61 Y68 M70 Q122 W123 E146Q58-V125 PolarHBondContact NE2-O 3.46Å; S61-V125 PolarHBondContact OG-O 3.23Å; Y68-V125 HydrophobicContact CE1-CG2 3.9Å; M70-V125 HydrophobicContact CB-CG2 4.05Å; M70-V125 HydrophobicContact CE-CG2 3.83Å; M70-V125 HydrophobicContact SD-CG2 4.23Å; Q122-V125 HydrophobicContact CB-CG1 4.35Å; Q122-V125 HydrophobicContact CB-CG2 4.26Å; Q122-V125 WeakPolarHBondContact O-CG2 3Å; Q122-V125 PolarHBondContact O-N 3.32Å; W123-V125 PolarHBondContact O-N 3.23Å; W123-V125 VanDerWaalsContact O-N 3.12Å; V125-E146 HydrophobicContact CG1-CG 4.36Å
126S98.1Very high97.6Very high2 Ų226.1 Ų26.11%0.01415%0.153CC..  trans-89.6108.1173.5-176.30000110.8S61 Y68 W123 A124 A128 L129 C130S61-S126 WeakPolarHBondContact OG-CA 3.06Å; Y68-S126 WeakPolarHBondContact O-CB 3.42Å; Y68-S126 PolarHBondContact O-OG 3.15Å; W123-S126 VanDerWaalsContact O-CB 3.23Å; W123-S126 WeakPolarHBondContact O-CB 3.47Å; W123-S126 PolarHBondContact O-N 3.09Å; A124-S126 VanDerWaalsContact C-N 3.26Å; S126-A128 PolarHBondContact O-N 2.95Å; S126-A128 VanDerWaalsContact O-N 3.14Å; S126-L129 PolarHBondContact O-N 3.01Å; S126-C130 PolarHBondContact O-N 3.34Å; S126-C130 PolarHBondContact O-SG 2.94Å
127R97.9Very high97.6Very high0 Ų024.6 Ų24.60%015%0.149CC..G310 helixtrans-50.7-39172.5-170.9-164.256.662.84.7111.4S61 H63 P64 V66 L129 C130 S131 R140 A142 S144 Y168S61-R127 WeakPolarHBondContact O-CB 3.49Å; S61-R127 PolarHBondContact O-NE 2.98Å; S61-R127 PolarHBondContact OG-N 2.92Å; H63-R127 PolarHBondContact O-NE 3.5Å; H63-R127 VanDerWaalsContact O-NE 3.1Å; H63-R127 PolarHBondContact O-NH2 3.42Å; P64-R127 VanDerWaalsContact C-NH2 3.35Å; P64-R127 PolarHBondContact O-NH2 3.43Å; P64-R127 VanDerWaalsContact O-NH2 3.08Å; V66-R127 PolarHBondContact O-NH2 2.95Å; R127-L129 VanDerWaalsContact C-N 3.29Å; R127-L129 PolarHBondContact O-N 3.29Å; R127-C130 CarbonylContact O-C 3.41Å; R127-C130 WeakPolarHBondContact O-CA 3.02Å; R127-C130 PolarHBondContact O-N 3.5Å; R127-S131 PolarHBondContact NH1-OG 3.14Å; R127-S131 WeakPolarHBondContact O-CB 3.47Å; R127-S131 PolarHBondContact O-N 3.03Å; R127-S131 PolarHBondContact O-OG 3.04Å; R127-R140 PolarHBondContact NH1-O 2.88Å; R127-A142 VanDerWaalsContact CD-O 3.25Å; R127-A142 WeakPolarHBondContact CD-O 3.35Å; R127-S144 WeakPolarHBondContact CA-OG 3.46Å; R127-S144 WeakPolarHBondContact CB-OG 3.48Å; R127-Y168 PolarHBondContact NH1-OH 3.02Å
128A98.3Very high97.7Very high0 Ų026.1 Ų26.10%016%0.155CC..G310 helixtrans-64.1-30.6-179.100000113.6F67 S126 C130 Y168F67-A128 HydrophobicContact CB-CB 4.42Å; F67-A128 HydrophobicContact CD2-CB 3.71Å; F67-A128 HydrophobicContact CE2-CB 4.47Å; F67-A128 HydrophobicContact CG-CB 4.4Å; S126-A128 PolarHBondContact O-N 2.95Å; S126-A128 VanDerWaalsContact O-N 3.14Å; A128-C130 VanDerWaalsContact C-N 3.34Å; A128-Y168 HydrophobicContact CB-CD2 4.19Å; A128-Y168 HydrophobicContact CB-CE2 3.48Å; A128-Y168 VanDerWaalsContact CB-CE2 3.48Å
129L98.5Very high97.6Very high0 Ų028.3 Ų28.30%017%0.169CC..G310 helixtrans-84.4-11.1173.4-61.5-175.7000113.1F67 L69 L117 L120 W123 S126 R127 A134 C135 A161F67-L129 HydrophobicContact CE2-CD2 3.85Å; F67-L129 HydrophobicContact CE2-CG 4.49Å; F67-L129 HydrophobicContact CZ-CD2 4.42Å; L69-L129 HydrophobicContact CD2-CD1 3.8Å; L117-L129 HydrophobicContact CD2-CD2 4.26Å; L120-L129 HydrophobicContact CD1-CD1 4.08Å; W123-L129 HydrophobicContact CB-CD1 3.94Å; W123-L129 HydrophobicContact CE3-CB 4.43Å; S126-L129 PolarHBondContact O-N 3.01Å; R127-L129 VanDerWaalsContact C-N 3.29Å; R127-L129 PolarHBondContact O-N 3.29Å; L129-A134 HydrophobicContact CD2-CB 4.25Å; L129-C135 WeakPolarHBondContact O-CB 3.48Å; L129-A161 HydrophobicContact CD2-CB 3.99Å
130C98.4Very high97.3Very high0 Ų029.5 Ų29.50%017%0.169CC..SBendtrans-101.1-0.1176-540000113S126 R127 A128 A137 F138 C149S126-C130 PolarHBondContact O-N 3.34Å; S126-C130 PolarHBondContact O-SG 2.94Å; R127-C130 CarbonylContact O-C 3.41Å; R127-C130 WeakPolarHBondContact O-CA 3.02Å; R127-C130 PolarHBondContact O-N 3.5Å; A128-C130 VanDerWaalsContact C-N 3.34Å; C130-A137 PolarHBondContact O-N 3.14Å; C130-F138 HydrophobicContact CB-CD2 4.06Å; C130-F138 PolarHBondContact O-N 2.74Å; C130-C149 VanDerWaalsContact CA-SG 3.6Å; C130-C149 HydrophobicContact CB-CB 3.75Å; C130-C149 WeakPolarHBondContact CB-SG 3.35Å; C130-C149 WeakPolarHBondContact SG-CB 3.49Å; C130-C149 CovalentContact SG-SG 2.02Å; C130-C149 PolarHBondContact SG-SG 3.21Å
131S98.2Very high97.1Very high0 Ų031.2 Ų31.20%019%0.188CC..SBendtrans-129.4161.7-176-47.30000111.1R127 A134 C135 F138R127-S131 PolarHBondContact NH1-OG 3.14Å; R127-S131 WeakPolarHBondContact O-CB 3.47Å; R127-S131 PolarHBondContact O-N 3.03Å; R127-S131 PolarHBondContact O-OG 3.04Å; S131-A134 PolarHBondContact O-N 3.03Å; S131-C135 CarbonylContact C-O 3.58Å; S131-C135 WeakPolarHBondContact CA-O 3.43Å; S131-C135 PolarHBondContact N-O 3.37Å; S131-C135 PolarHBondContact O-N 3.01Å; S131-F138 WeakPolarHBondContact CA-O 3.38Å; S131-F138 WeakPolarHBondContact CB-O 3.5Å
132P97.3Very high96.9Very high56 Ų5630 Ų3036%0.36419%0.187SC..THydrogen-bonded Turntrans-60142.6179.9-28.636.8000112.4C135 F138 R140P132-C135 WeakPolarHBondContact CD-O 3.43Å; P132-F138 WeakPolarHBondContact CD-O 3.43Å; P132-R140 PolarHBondContact O-NH2 2.69Å
133P97.3Very high96.9Very high56 Ų5628.5 Ų28.536%0.36418%0.181SC..THydrogen-bonded Turncis-84.3-9.17.733.8-36.8000115.5E163 A164P133-E163 HydrophobicContact CG-CB 4.24Å; P133-A164 HydrophobicContact CG-CB 4.26Å
134A97.9Very high96.8Very high0 Ų028.2 Ų28.20%018%0.182CC..THydrogen-bonded Turntrans-74.2-33.1-171.200000115.1L117 L129 S131 Q156 L160 A164L117-A134 HydrophobicContact CD1-CB 4.06Å; L129-A134 HydrophobicContact CD2-CB 4.25Å; S131-A134 PolarHBondContact O-N 3.03Å; A134-Q156 WeakPolarHBondContact O-CG 3.45Å; A134-L160 HydrophobicContact CB-CB 4.19Å; A134-L160 WeakPolarHBondContact O-CD1 3.39Å; A134-A164 HydrophobicContact CB-CB 3.93Å
135C98.1Very high96.6Very high9 Ų930.6 Ų30.66%0.06120%0.198CC..  trans-160.3158176.9-171.60000110.6L129 S131 P132 C153 Q156L129-C135 WeakPolarHBondContact O-CB 3.48Å; S131-C135 CarbonylContact C-O 3.58Å; S131-C135 WeakPolarHBondContact CA-O 3.43Å; S131-C135 PolarHBondContact N-O 3.37Å; S131-C135 PolarHBondContact O-N 3.01Å; P132-C135 WeakPolarHBondContact CD-O 3.43Å; C135-C153 HydrophobicContact CB-CB 3.64Å; C135-C153 WeakPolarHBondContact CB-SG 3.38Å; C135-C153 WeakPolarHBondContact SG-CB 3.5Å; C135-C153 CovalentContact SG-SG 2.02Å; C135-C153 PolarHBondContact SG-SG 2.99Å; C135-Q156 HydrophobicContact CB-CG 4.34Å
136S97Very high96.5Very high108 Ų10832.5 Ų32.576%0.75521%0.206SC*.SBendtrans-104.421179.7-56.10000113.8F138S136-F138 VanDerWaalsContact C-N 3.31Å; S136-F138 PolarHBondContact O-N 3Å
137A97.7Very high96.3Very high25 Ų2536.1 Ų36.121%0.20724%0.237CC..SBendtrans-68.3-30.5-17900000112.9C130 L152 C153C130-A137 PolarHBondContact O-N 3.14Å; A137-L152 HydrophobicContact CB-CB 4.24Å; A137-L152 HydrophobicContact CB-CD1 3.95Å; A137-C153 WeakPolarHBondContact CB-SG 3.49Å
138F97.6Very high96.2Very high32 Ų3239.1 Ų39.114%0.1426%0.255CS..SBendtrans-137.6145.4178-66.7-86.3000111.7C130 S131 P132 S136 S145 V148 C149C130-F138 HydrophobicContact CB-CD2 4.06Å; C130-F138 PolarHBondContact O-N 2.74Å; S131-F138 WeakPolarHBondContact CA-O 3.38Å; S131-F138 WeakPolarHBondContact CB-O 3.5Å; P132-F138 WeakPolarHBondContact CD-O 3.43Å; S136-F138 VanDerWaalsContact C-N 3.31Å; S136-F138 PolarHBondContact O-N 3Å; F138-S145 VanDerWaalsContact CZ-N 3.26Å; F138-V148 HydrophobicContact CE2-CB 3.9Å; F138-V148 HydrophobicContact CE2-CG1 3.86Å; F138-V148 HydrophobicContact CZ-CB 3.63Å; F138-V148 HydrophobicContact CZ-CG1 3.72Å; F138-V148 HydrophobicContact CZ-CG2 4.17Å; F138-C149 HydrophobicContact CE2-CB 4.36Å
139P96.1Very high96.2Very high92 Ų9239.1 Ų39.160%0.59726%0.255SS*.  trans-61.2149.1163.7-20.332.3000111.2G141 A142P139-G141 PolarHBondContact O-N 3.47Å; P139-G141 VanDerWaalsContact O-N 3.14Å; P139-A142 HydrophobicContact CB-CB 4.35Å; P139-A142 HydrophobicContact CG-CB 4.41Å; P139-A142 PolarHBondContact O-N 3.04Å
140R91.8Very high96.1Very high82 Ų8243.3 Ų43.331%0.30927%0.273SS..THydrogen-bonded Turntrans-54.8-36.9-177.9179.8176.6-79.6-135.5-3.5113.5R127 P132 S167 Y168R127-R140 PolarHBondContact NH1-O 2.88Å; P132-R140 PolarHBondContact O-NH2 2.69Å; R140-S167 PolarHBondContact NH1-O 3.48Å; R140-S167 PolarHBondContact NH2-OG 3.31Å; R140-Y168 HydrophobicContact CG-CE1 4.23Å; R140-Y168 VanDerWaalsContact CZ-CE1 3.45Å
141G92.6Very high96Very high44 Ų4448.1 Ų48.145%0.45430%0.304SS..THydrogen-bonded Turntrans-80.2-11-179.700000115.6P139 Q298P139-G141 PolarHBondContact O-N 3.47Å; P139-G141 VanDerWaalsContact O-N 3.14Å; G141-Q298 PolarHBondContact O-OE1 3.19Å
142A95Very high96Very high22 Ų2253.3 Ų53.318%0.18233%0.331CS..SBendtrans-85.9151.8-17200000112.7R127 P139 S144R127-A142 VanDerWaalsContact CD-O 3.25Å; R127-A142 WeakPolarHBondContact CD-O 3.35Å; P139-A142 HydrophobicContact CB-CB 4.35Å; P139-A142 HydrophobicContact CG-CB 4.41Å; P139-A142 PolarHBondContact O-N 3.04Å; A142-S144 PolarHBondContact O-N 3.45Å
143I95.3Very high96Very high38 Ų3850.6 Ų50.620%0.19531%0.314CS..PPolyproline II helixtrans-66.5123166.6-56.4-60.1000109Q62 Q298 L299 W302Q62-I143 HydrophobicContact CB-CD1 3.94Å; Q62-I143 HydrophobicContact CG-CD1 4.41Å; Q62-I143 HydrophobicContact CG-CG2 4.48Å; I143-Q298 HydrophobicContact CD1-CG 4.43Å; I143-Q298 HydrophobicContact CG1-CG 3.99Å; I143-L299 HydrophobicContact CD1-CD1 4.04Å; I143-W302 HydrophobicContact CD1-CB 4.08Å; I143-W302 HydrophobicContact CD1-CD2 4.44Å; I143-W302 HydrophobicContact CD1-CG 4.09Å; I143-W302 HydrophobicContact CG1-CB 4.19Å; I143-W302 HydrophobicContact CG1-CG 4.22Å; I143-W302 HydrophobicContact CG2-CD2 4.48Å; I143-W302 HydrophobicContact CG2-CG 4.1Å
144S95.6Very high96Very high12 Ų1249.2 Ų49.28%0.08431%0.307CS..PPolyproline II helixtrans-86.3154.6179.257.60000112.6Q62 R127 A142Q62-S144 PolarHBondContact NE2-OG 3.02Å; Q62-S144 VanDerWaalsContact NE2-OG 3.14Å; Q62-S144 PolarHBondContact OE1-OG 3.24Å; R127-S144 WeakPolarHBondContact CA-OG 3.46Å; R127-S144 WeakPolarHBondContact CB-OG 3.48Å; A142-S144 PolarHBondContact O-N 3.45Å
145S94.1Very high96Very high52 Ų5259.6 Ų59.636%0.36435%0.346SS..  trans-124.2125.1173.4174.70000110.7F138 A147 V148 C149F138-S145 VanDerWaalsContact CZ-N 3.26Å; S145-A147 PolarHBondContact O-N 3.14Å; S145-A147 PolarHBondContact OG-N 3.44Å; S145-V148 PolarHBondContact O-N 3.2Å; S145-V148 VanDerWaalsContact O-N 3.14Å; S145-C149 WeakPolarHBondContact O-CB 3.5Å; S145-C149 PolarHBondContact O-N 3.06Å
146E94.1Very high96Very high52 Ų5262.2 Ų62.224%0.24336%0.357CS..Hα-helixtrans-54.9-38.4175.4-173.1-162145.600111.6A124 V125 V148 C149 K150A124-E146 HydrophobicContact CB-CG 3.92Å; V125-E146 HydrophobicContact CG1-CG 4.36Å; E146-V148 VanDerWaalsContact C-N 3.25Å; E146-V148 PolarHBondContact O-N 3.01Å; E146-C149 PolarHBondContact O-N 2.02Å; E146-K150 HydrophobicContact CG-CD 3.96Å; E146-K150 HydrophobicContact CG-CG 4.14Å; E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 WeakPolarHBondContact O-CG 3.23Å; E146-K150 PolarHBondContact O-N 2.88Å; E146-K150 WeakPolarHBondContact OE1-CE 3.5Å; E146-K150 IonicContact OE1-NZ 3.14Å; E146-K150 PolarHBondContact OE1-NZ 3.43Å
147A93.6Very high96Very high79 Ų7960.1 Ų60.165%0.65334%0.341SS*.Hα-helixtrans-64.3-30.1-177.700000112.9S145 P151S145-A147 PolarHBondContact O-N 3.14Å; S145-A147 PolarHBondContact OG-N 3.44Å; A147-P151 VanDerWaalsContact O-CD 3.22Å; A147-P151 WeakPolarHBondContact O-CD 3.46Å
148V96.6Very high96.1Very high62 Ų6259.6 Ų59.638%0.37633%0.334SS..Hα-helixtrans-89.4-41.6176.5176.40000110.6F138 S145 E146 P151 L152F138-V148 HydrophobicContact CE2-CB 3.9Å; F138-V148 HydrophobicContact CE2-CG1 3.86Å; F138-V148 HydrophobicContact CZ-CB 3.63Å; F138-V148 HydrophobicContact CZ-CG1 3.72Å; F138-V148 HydrophobicContact CZ-CG2 4.17Å; S145-V148 PolarHBondContact O-N 3.2Å; S145-V148 VanDerWaalsContact O-N 3.14Å; E146-V148 VanDerWaalsContact C-N 3.25Å; E146-V148 PolarHBondContact O-N 3.01Å; V148-P151 VanDerWaalsContact O-CD 3.29Å; V148-P151 WeakPolarHBondContact O-CD 3.27Å; V148-P151 WeakPolarHBondContact O-CG 3.48Å; V148-L152 HydrophobicContact CG1-CD1 3.8Å; V148-L152 WeakPolarHBondContact O-CG 3.36Å
149C97.2Very high96Very high0 Ų061.2 Ų61.20%035%0.349CS..Hα-helixtrans-64.9-43.2-176.8-1790000112.6W123 A124 C130 F138 S145 E146 L152 C153W123-C149 WeakPolarHBondContact CH2-O 3.41Å; W123-C149 VanDerWaalsContact CZ3-SG 3.57Å; A124-C149 HydrophobicContact CB-CB 4.42Å; C130-C149 VanDerWaalsContact CA-SG 3.6Å; C130-C149 HydrophobicContact CB-CB 3.75Å; C130-C149 WeakPolarHBondContact CB-SG 3.35Å; C130-C149 WeakPolarHBondContact SG-CB 3.49Å; C130-C149 CovalentContact SG-SG 2.02Å; C130-C149 PolarHBondContact SG-SG 3.21Å; F138-C149 HydrophobicContact CE2-CB 4.36Å; S145-C149 WeakPolarHBondContact O-CB 3.5Å; S145-C149 PolarHBondContact O-N 3.06Å; E146-C149 PolarHBondContact O-N 2.02Å; C149-L152 PolarHBondContact O-N 2.67Å; C149-C153 WeakPolarHBondContact O-CB 3.32Å; C149-C153 PolarHBondContact O-N 3.1Å
150K96.9Very high96.2Very high89 Ų8958 Ų5839%0.38733%0.327SS..Hα-helixtrans-51.7-57.5-178.8-81.8-176.2166.7177.90113.9W123 A124 E146 L152 A154W123-K150 HydrophobicContact CZ2-CG 4.31Å; A124-K150 HydrophobicContact CB-CB 4.48Å; A124-K150 HydrophobicContact CB-CD 4.33Å; A124-K150 HydrophobicContact CB-CG 3.38Å; E146-K150 HydrophobicContact CG-CD 3.96Å; E146-K150 HydrophobicContact CG-CG 4.14Å; E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 WeakPolarHBondContact O-CG 3.23Å; E146-K150 PolarHBondContact O-N 2.88Å; E146-K150 WeakPolarHBondContact OE1-CE 3.5Å; E146-K150 IonicContact OE1-NZ 3.14Å; E146-K150 PolarHBondContact OE1-NZ 3.43Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 3.16Å; K150-A154 VanDerWaalsContact O-CB 3.25Å; K150-A154 WeakPolarHBondContact O-CB 3.5Å; K150-A154 PolarHBondContact O-N 2.99Å
151P96.9Very high96.5Very high101 Ų10154.1 Ų54.166%0.65631%0.312SS*.Hα-helixtrans-67.4-30.3-178.224.7-34.3000113.5A147 V148A147-P151 VanDerWaalsContact O-CD 3.22Å; A147-P151 WeakPolarHBondContact O-CD 3.46Å; V148-P151 VanDerWaalsContact O-CD 3.29Å; V148-P151 WeakPolarHBondContact O-CD 3.27Å; V148-P151 WeakPolarHBondContact O-CG 3.48Å
152L97.7Very high96.7Very high108 Ų10853.5 Ų53.557%0.56530%0.298SS*.Hα-helixtrans-87.1-32.5-173.6-62.6-179.3000114A137 V148 C149 K150A137-L152 HydrophobicContact CB-CB 4.24Å; A137-L152 HydrophobicContact CB-CD1 3.95Å; V148-L152 HydrophobicContact CG1-CD1 3.8Å; V148-L152 WeakPolarHBondContact O-CG 3.36Å; C149-L152 PolarHBondContact O-N 2.67Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 3.16Å
153C97.9Very high96.9Very high0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-113.9-4.1-167.2-52.90000114W123 C135 A137 C149 R155 Q156W123-C153 HydrophobicContact CH2-CB 3.59Å; W123-C153 HydrophobicContact CZ3-CB 3.5Å; W123-C153 VanDerWaalsContact CZ3-CB 3.5Å; C135-C153 HydrophobicContact CB-CB 3.64Å; C135-C153 WeakPolarHBondContact CB-SG 3.38Å; C135-C153 WeakPolarHBondContact SG-CB 3.5Å; C135-C153 CovalentContact SG-SG 2.02Å; C135-C153 PolarHBondContact SG-SG 2.99Å; A137-C153 WeakPolarHBondContact CB-SG 3.49Å; C149-C153 WeakPolarHBondContact O-CB 3.32Å; C149-C153 PolarHBondContact O-N 3.1Å; C153-R155 VanDerWaalsContact C-N 3.28Å; C153-R155 PolarHBondContact O-N 2.85Å; C153-Q156 HydrophobicContact CB-CG 4.34Å; C153-Q156 WeakPolarHBondContact O-CB 3.33Å; C153-Q156 VanDerWaalsContact O-CG 3.27Å; C153-Q156 WeakPolarHBondContact O-CG 3.43Å; C153-Q156 PolarHBondContact O-N 3.21Å
154A97.1Very high97.1Very high26 Ų2655.2 Ų55.222%0.21530%0.301CS..THydrogen-bonded Turntrans-58.5-37.2-172.300000114N116 S118 W123 K150 Q156N116-A154 VanDerWaalsContact CB-O 3.24Å; N116-A154 WeakPolarHBondContact CB-O 3.34Å; S118-A154 VanDerWaalsContact CB-O 3.26Å; S118-A154 WeakPolarHBondContact CB-O 3.42Å; S118-A154 PolarHBondContact N-O 3.42Å; S118-A154 PolarHBondContact OG-O 3.17Å; W123-A154 HydrophobicContact CH2-CB 4.23Å; W123-A154 VanDerWaalsContact CH2-N 3.3Å; W123-A154 VanDerWaalsContact CZ2-CA 3.47Å; W123-A154 HydrophobicContact CZ2-CB 3.78Å; K150-A154 VanDerWaalsContact O-CB 3.25Å; K150-A154 WeakPolarHBondContact O-CB 3.5Å; K150-A154 PolarHBondContact O-N 2.99Å; A154-Q156 VanDerWaalsContact C-N 3.34Å
155R97.3Very high97.2Very high219 Ų21954.6 Ų54.683%0.82630%0.297SS*.THydrogen-bonded Turntrans-92.99.7-174.3-53.8-172.6106.1150.74.9113.7C153C153-R155 VanDerWaalsContact C-N 3.28Å; C153-R155 PolarHBondContact O-N 2.85Å
156Q98.1Very high97.4Very high63 Ų6358.8 Ų58.829%0.29431%0.305SS..SBendtrans-65.6142.9176.5-68.5-61.6-22.100110.3N116 L117 A134 C135 C153 A154 F158 L160N116-Q156 WeakPolarHBondContact CA-O 3.48Å; N116-Q156 WeakPolarHBondContact CB-O 3.43Å; L117-Q156 HydrophobicContact CB-CB 4.49Å; L117-Q156 HydrophobicContact CD1-CB 3.58Å; L117-Q156 HydrophobicContact CD1-CG 4.39Å; L117-Q156 HydrophobicContact CG-CB 3.87Å; L117-Q156 PolarHBondContact N-O 3.23Å; A134-Q156 WeakPolarHBondContact O-CG 3.45Å; C135-Q156 HydrophobicContact CB-CG 4.34Å; C153-Q156 HydrophobicContact CB-CG 4.34Å; C153-Q156 WeakPolarHBondContact O-CB 3.33Å; C153-Q156 VanDerWaalsContact O-CG 3.27Å; C153-Q156 WeakPolarHBondContact O-CG 3.43Å; C153-Q156 PolarHBondContact O-N 3.21Å; A154-Q156 VanDerWaalsContact C-N 3.34Å; Q156-F158 PolarHBondContact O-N 3.47Å; Q156-L160 HydrophobicContact CB-CD1 4.2Å
157P97.9Very high97.5Very high65 Ų6558.6 Ų58.642%0.42231%0.31SS..BIsolated β-bridgetrans-54.1138.8178.3-26.232.7000112.4S159 L160P157-S159 VanDerWaalsContact C-N 3.25Å; P157-S159 PolarHBondContact O-N 3.07Å; P157-L160 HydrophobicContact CB-CD1 4.49Å; P157-L160 HydrophobicContact CB-CG 4.34Å; P157-L160 HydrophobicContact CG-CD1 4.35Å; P157-L160 WeakPolarHBondContact O-CB 3.41Å; P157-L160 PolarHBondContact O-N 2.81Å
158F98.1Very high97.7Very high14 Ų1455.1 Ų55.16%0.06128%0.28CS..THydrogen-bonded Turntrans-60.9-33-179.6-175.8-89.2000113.4M104 F107 L111 R115 L120 Q156 L160 A161M104-F158 HydrophobicContact CB-CE1 3.87Å; M104-F158 HydrophobicContact CB-CZ 4.47Å; F107-F158 HydrophobicContact CB-CE1 4.38Å; F107-F158 HydrophobicContact CB-CZ 3.8Å; F107-F158 HydrophobicContact CD2-CE1 4.36Å; F107-F158 AromaticContact CD2-CZ 3.65Å; F107-F158 HydrophobicContact CD2-CZ 3.65Å; F107-F158 HydrophobicContact CE2-CZ 4.48Å; F107-F158 AromaticContact CG-CZ 3.9Å; F107-F158 HydrophobicContact CG-CZ 3.9Å; L111-F158 HydrophobicContact CD1-CE2 3.73Å; L111-F158 HydrophobicContact CD1-CZ 4.17Å; R115-F158 HydrophobicContact CB-CD2 4.39Å; R115-F158 HydrophobicContact CG-CB 3.83Å; R115-F158 HydrophobicContact CG-CD1 4.4Å; R115-F158 HydrophobicContact CG-CD2 3.91Å; R115-F158 HydrophobicContact CG-CG 3.8Å; R115-F158 VanDerWaalsContact NE-CE1 3.32Å; R115-F158 WeakPolarHBondContact O-CB 3.48Å; L120-F158 HydrophobicContact CD1-CE2 4.11Å; L120-F158 HydrophobicContact CD2-CE2 3.68Å; L120-F158 HydrophobicContact CD2-CZ 4.01Å; L120-F158 HydrophobicContact CG-CD2 4.37Å; L120-F158 HydrophobicContact CG-CE2 3.63Å; L120-F158 HydrophobicContact CG-CZ 4.37Å; Q156-F158 PolarHBondContact O-N 3.47Å; F158-L160 PolarHBondContact O-N 2.81Å; F158-L160 VanDerWaalsContact O-N 3.09Å; F158-A161 WeakPolarHBondContact O-CB 3.37Å; F158-A161 PolarHBondContact O-N 3.28Å
159S97Very high97.8Very high65 Ų6554.9 Ų54.946%0.45528%0.281SS..Hα-helixtrans-56-27.6178.458.40000113.1P157 A161 Q162 E163P157-S159 VanDerWaalsContact C-N 3.25Å; P157-S159 PolarHBondContact O-N 3.07Å; S159-A161 PolarHBondContact O-N 2.83Å; S159-Q162 WeakPolarHBondContact O-CB 3.49Å; S159-Q162 PolarHBondContact O-N 2.86Å; S159-Q162 VanDerWaalsContact O-N 3.08Å; S159-E163 PolarHBondContact O-N 2.78Å
160L98.4Very high97.9Very high25 Ų2555.6 Ų55.613%0.13128%0.284CS..Hα-helixtrans-65.5-21178.2-66.7179.4000113.4A134 Q156 P157 F158 Q162 E163 A164A134-L160 HydrophobicContact CB-CB 4.19Å; A134-L160 WeakPolarHBondContact O-CD1 3.39Å; Q156-L160 HydrophobicContact CB-CD1 4.2Å; P157-L160 HydrophobicContact CB-CD1 4.49Å; P157-L160 HydrophobicContact CB-CG 4.34Å; P157-L160 HydrophobicContact CG-CD1 4.35Å; P157-L160 WeakPolarHBondContact O-CB 3.41Å; P157-L160 PolarHBondContact O-N 2.81Å; F158-L160 PolarHBondContact O-N 2.81Å; F158-L160 VanDerWaalsContact O-N 3.09Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; L160-E163 PolarHBondContact O-N 3.39Å; L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 2.6Å
161A98.4Very high98Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-63.5-40.8172.400000111.4F67 M104 L117 L120 L129 F158 S159 C165F67-A161 WeakPolarHBondContact CE2-O 3.43Å; M104-A161 HydrophobicContact CG-CB 4.38Å; L117-A161 HydrophobicContact CD2-CB 3.71Å; L120-A161 HydrophobicContact CD1-CB 4Å; L129-A161 HydrophobicContact CD2-CB 3.99Å; F158-A161 WeakPolarHBondContact O-CB 3.37Å; F158-A161 PolarHBondContact O-N 3.28Å; S159-A161 PolarHBondContact O-N 2.83Å; A161-C165 WeakPolarHBondContact O-CB 3.47Å; A161-C165 PolarHBondContact O-N 2.72Å
162Q98.6Very high98Very high32 Ų3246.5 Ų46.515%0.1523%0.234CC..Hα-helixtrans-67.7-45.8177.4174.5157.2-70.500111.1C102 M104 S159 L160 C165 R166C102-Q162 WeakPolarHBondContact O-CG 3.31Å; C102-Q162 PolarHBondContact O-OE1 3.29Å; M104-Q162 HydrophobicContact CB-CB 4.12Å; M104-Q162 HydrophobicContact CG-CB 3.68Å; S159-Q162 WeakPolarHBondContact O-CB 3.49Å; S159-Q162 PolarHBondContact O-N 2.86Å; S159-Q162 VanDerWaalsContact O-N 3.08Å; L160-Q162 VanDerWaalsContact C-N 3.32Å; Q162-C165 PolarHBondContact O-N 2.73Å; Q162-R166 VanDerWaalsContact NE2-NH2 3.14Å; Q162-R166 WeakPolarHBondContact O-CG 3.45Å; Q162-R166 PolarHBondContact O-N 2.83Å; Q162-R166 VanDerWaalsContact O-N 3.09Å
163E98.3Very high98.1Very high95 Ų9541.4 Ų41.444%0.44421%0.207SC..Hα-helixtrans-60.7-45.5176.4-67175.3-136.700111.7P133 S159 L160 R166 S167P133-E163 HydrophobicContact CG-CB 4.24Å; S159-E163 PolarHBondContact O-N 2.78Å; L160-E163 PolarHBondContact O-N 3.39Å; E163-R166 PolarHBondContact O-N 3.37Å; E163-S167 PolarHBondContact O-N 3.27Å
164A98.4Very high98.1Very high0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-59.2-52.9174.400000110.8F67 P133 A134 L160 R166 S167 Y168F67-A164 HydrophobicContact CD2-CB 4.24Å; F67-A164 HydrophobicContact CE2-CB 4.13Å; P133-A164 HydrophobicContact CG-CB 4.26Å; A134-A164 HydrophobicContact CB-CB 3.93Å; L160-A164 VanDerWaalsContact O-CB 3.26Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 2.6Å; A164-R166 VanDerWaalsContact C-N 3.28Å; A164-R166 PolarHBondContact O-N 2.89Å; A164-S167 WeakPolarHBondContact O-CB 3.38Å; A164-S167 PolarHBondContact O-N 2.77Å; A164-S167 PolarHBondContact O-OG 2.9Å; A164-Y168 HydrophobicContact CB-CE2 4.47Å; A164-Y168 WeakPolarHBondContact O-CD2 3.39Å; A164-Y168 WeakPolarHBondContact O-CE2 3.39Å
165C98.7Very high98.2Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-51.2-46.4-179.6-175.50000112.8F67 C102 M104 A161 Q162 S167 Y168F67-C165 HydrophobicContact CD1-CB 3.8Å; F67-C165 VanDerWaalsContact CD2-CA 3.41Å; F67-C165 HydrophobicContact CD2-CB 3.86Å; F67-C165 HydrophobicContact CE1-CB 3.71Å; F67-C165 HydrophobicContact CE2-CB 3.79Å; F67-C165 HydrophobicContact CG-CB 3.86Å; F67-C165 HydrophobicContact CZ-CB 3.72Å; C102-C165 WeakPolarHBondContact CA-SG 3.37Å; C102-C165 HydrophobicContact CB-CB 3.6Å; C102-C165 WeakPolarHBondContact CB-SG 3.12Å; C102-C165 WeakPolarHBondContact SG-CB 3.33Å; C102-C165 PolarHBondContact SG-O 3.01Å; C102-C165 CovalentContact SG-SG 2.04Å; C102-C165 PolarHBondContact SG-SG 3.31Å; M104-C165 HydrophobicContact CE-CB 3.8Å; A161-C165 WeakPolarHBondContact O-CB 3.47Å; A161-C165 PolarHBondContact O-N 2.72Å; Q162-C165 PolarHBondContact O-N 2.73Å; C165-S167 PolarHBondContact O-N 2.85Å; C165-Y168 PolarHBondContact O-N 2.87Å
166R98Very high98.2Very high139 Ų13929.9 Ų29.953%0.52516%0.159SC..Hα-helixtrans-63.8-24.3-179.1-70.2173.9-178.6173.71113.5R40 C102 Q162 E163 A164R40-R166 PolarHBondContact NH2-O 3.05Å; C102-R166 HydrophobicContact CB-CG 3.68Å; Q162-R166 VanDerWaalsContact NE2-NH2 3.14Å; Q162-R166 WeakPolarHBondContact O-CG 3.45Å; Q162-R166 PolarHBondContact O-N 2.83Å; Q162-R166 VanDerWaalsContact O-N 3.09Å; E163-R166 PolarHBondContact O-N 3.37Å; A164-R166 VanDerWaalsContact C-N 3.28Å; A164-R166 PolarHBondContact O-N 2.89Å
167S97.3Very high98.1Very high49 Ų4927.1 Ų27.134%0.34315%0.145SC..THydrogen-bonded Turntrans-86.62.2-176.977.40000115.3R140 E163 A164 C165R140-S167 PolarHBondContact NH1-O 3.48Å; R140-S167 PolarHBondContact NH2-OG 3.31Å; E163-S167 PolarHBondContact O-N 3.27Å; A164-S167 WeakPolarHBondContact O-CB 3.38Å; A164-S167 PolarHBondContact O-N 2.77Å; A164-S167 PolarHBondContact O-OG 2.9Å; C165-S167 PolarHBondContact O-N 2.85Å
168Y97.8Very high98.1Very high6 Ų624.2 Ų24.22%0.02413%0.126CC..  trans-114.1147.6178.5-69.4-81.3000111.2R40 P64 D65 F67 R127 A128 R140 A164 C165 H170R40-Y168 PolarHBondContact NE-O 3.45Å; P64-Y168 WeakPolarHBondContact O-CD1 3.45Å; P64-Y168 WeakPolarHBondContact O-CE1 3.35Å; D65-Y168 VanDerWaalsContact C-CD1 3.48Å; F67-Y168 HydrophobicContact CB-CD2 3.69Å; F67-Y168 HydrophobicContact CB-CG 3.99Å; F67-Y168 HydrophobicContact CD2-CD2 4.29Å; F67-Y168 HydrophobicContact CG-CD2 4.49Å; R127-Y168 PolarHBondContact NH1-OH 3.02Å; A128-Y168 HydrophobicContact CB-CD2 4.19Å; A128-Y168 HydrophobicContact CB-CE2 3.48Å; A128-Y168 VanDerWaalsContact CB-CE2 3.48Å; R140-Y168 HydrophobicContact CG-CE1 4.23Å; R140-Y168 VanDerWaalsContact CZ-CE1 3.45Å; A164-Y168 HydrophobicContact CB-CE2 4.47Å; A164-Y168 WeakPolarHBondContact O-CD2 3.39Å; A164-Y168 WeakPolarHBondContact O-CE2 3.39Å; C165-Y168 PolarHBondContact O-N 2.87Å; Y168-H170 VanDerWaalsContact C-N 3.33Å
169S97.7Very high98Very high57 Ų5724.8 Ų24.840%0.39913%0.129SC..SBendtrans-80.6-16.917858.10000112.9R40 V41 D65R40-S169 WeakPolarHBondContact CA-O 3.41Å; R40-S169 WeakPolarHBondContact CG-O 3.4Å; V41-S169 PolarHBondContact N-O 2.9Å; D65-S169 PolarHBondContact O-N 2.87Å
170H98.6Very high97.9Very high14 Ų1424 Ų247%0.06512%0.119CC..EExtended strand (participates in β ladder)trans-125.1130.6178.3-6469.5000110.9V41 D65 V66 F67 Y168 T291 L293V41-H170 WeakPolarHBondContact O-CA 3.24Å; D65-H170 PolarHBondContact O-N 2.88Å; D65-H170 VanDerWaalsContact O-N 3.15Å; V66-H170 HydrophobicContact CB-CB 4.49Å; V66-H170 HydrophobicContact CG2-CB 3.8Å; F67-H170 PolarHBondContact N-O 2.89Å; Y168-H170 VanDerWaalsContact C-N 3.33Å; H170-T291 PolarHBondContact NE2-O 3.16Å; H170-L293 WeakPolarHBondContact CE1-CD2 3.47Å; H170-L293 WeakPolarHBondContact NE2-CD2 3.47Å
171V98.9Very high97.8Very high0 Ų022.8 Ų22.80%011%0.113CC..EExtended strand (participates in β ladder)trans-112.8115.1170.5177.50000108.7R40 V41 H42 V43 F67 F100 L173R40-V171 HydrophobicContact CG-CG2 4.49Å; V41-V171 PolarHBondContact O-N 3.06Å; H42-V171 CarbonylContact C-O 3.46Å; H42-V171 WeakPolarHBondContact CA-O 3.34Å; V43-V171 PolarHBondContact N-O 2.69Å; F67-V171 HydrophobicContact CB-CG2 4.45Å; F67-V171 HydrophobicContact CD1-CG1 4.15Å; F67-V171 WeakPolarHBondContact O-CA 3.15Å; F100-V171 HydrophobicContact CD1-CB 4.3Å; F100-V171 HydrophobicContact CD1-CG1 3.79Å; F100-V171 HydrophobicContact CE1-CG1 4.42Å; V171-L173 HydrophobicContact CG1-CD2 4.29Å; V171-L173 HydrophobicContact CG1-CG 4.43Å
172V98.9Very high97.7Very high0 Ų027.9 Ų27.90%014%0.137CC..EExtended strand (participates in β ladder)trans-116.3118.7-174.7-175.10000109.8V43 V45 F60 V66 F67 Y68 L69V43-V172 HydrophobicContact CB-CB 4.4Å; V43-V172 HydrophobicContact CB-CG1 4.13Å; V43-V172 HydrophobicContact CB-CG2 3.98Å; V43-V172 HydrophobicContact CG1-CG1 4.36Å; V43-V172 HydrophobicContact CG2-CG2 4.23Å; V43-V172 CarbonylContact O-C 3.07Å; V43-V172 WeakPolarHBondContact O-CA 3.45Å; V45-V172 HydrophobicContact CG2-CG1 3.97Å; F60-V172 HydrophobicContact CB-CB 4.3Å; F60-V172 HydrophobicContact CB-CG1 3.87Å; F60-V172 HydrophobicContact CB-CG2 4.24Å; F60-V172 HydrophobicContact CD1-CG1 4.35Å; F60-V172 HydrophobicContact CD1-CG2 4.04Å; F60-V172 HydrophobicContact CD2-CG1 4.03Å; F60-V172 HydrophobicContact CG-CG1 3.84Å; F60-V172 HydrophobicContact CG-CG2 4.25Å; V66-V172 HydrophobicContact CB-CG2 4.46Å; V66-V172 HydrophobicContact CG1-CB 3.91Å; V66-V172 HydrophobicContact CG1-CG2 3.49Å; V66-V172 VanDerWaalsContact CG1-CG2 3.49Å; V66-V172 HydrophobicContact CG2-CG2 4.14Å; F67-V172 PolarHBondContact O-N 2.82Å; Y68-V172 VanDerWaalsContact CA-O 3.27Å; Y68-V172 WeakPolarHBondContact CA-O 3.23Å; Y68-V172 HydrophobicContact CD2-CB 4.18Å; Y68-V172 HydrophobicContact CD2-CG1 4.01Å; Y68-V172 WeakPolarHBondContact CD2-O 3.34Å; L69-V172 PolarHBondContact N-O 3.13Å
173L98.9Very high97.6Very high0 Ų027.3 Ų27.30%014%0.136CC..EExtended strand (participates in β ladder)trans-113.1129.8177-54.3-178.1000109V43 L44 V45 L69 P72 V96 V99 F100 V171V43-L173 PolarHBondContact O-N 2.88Å; L44-L173 CarbonylContact C-O 3.55Å; L44-L173 WeakPolarHBondContact CA-O 3.42Å; L44-L173 HydrophobicContact CD1-CB 4.3Å; V45-L173 PolarHBondContact N-O 2.87Å; L69-L173 HydrophobicContact CB-CD2 3.79Å; L69-L173 HydrophobicContact CD1-CD2 4.45Å; L69-L173 HydrophobicContact CG-CD2 4.43Å; P72-L173 HydrophobicContact CG-CD1 4.49Å; P72-L173 HydrophobicContact CG-CD2 4.44Å; V96-L173 HydrophobicContact CG1-CD1 4.06Å; V99-L173 HydrophobicContact CB-CD1 4.01Å; V99-L173 HydrophobicContact CG1-CD1 3.8Å; V99-L173 HydrophobicContact CG1-CD2 3.58Å; V99-L173 HydrophobicContact CG1-CG 4.35Å; F100-L173 HydrophobicContact CD1-CD1 3.65Å; F100-L173 HydrophobicContact CD1-CG 3.86Å; F100-L173 HydrophobicContact CD2-CD1 3.95Å; F100-L173 HydrophobicContact CE1-CB 3.98Å; F100-L173 HydrophobicContact CE1-CD1 3.61Å; F100-L173 HydrophobicContact CE1-CG 3.49Å; F100-L173 VanDerWaalsContact CE1-CG 3.49Å; F100-L173 HydrophobicContact CE2-CD1 3.93Å; F100-L173 HydrophobicContact CG-CD1 3.81Å; F100-L173 HydrophobicContact CZ-CB 3.96Å; F100-L173 HydrophobicContact CZ-CD1 3.75Å; F100-L173 HydrophobicContact CZ-CG 3.87Å; V171-L173 HydrophobicContact CG1-CD2 4.29Å; V171-L173 HydrophobicContact CG1-CG 4.43Å
174K98.6Very high97.5Very high3 Ų322.8 Ų22.81%0.01311%0.114CC..EExtended strand (participates in β ladder)trans-99.9121172.6175-99.4133.6158.70109.9V45 S53 Y68 L69 M70 E71 V176V45-K174 HydrophobicContact CB-CB 4.1Å; V45-K174 HydrophobicContact CB-CG 4.26Å; V45-K174 HydrophobicContact CG1-CG 4.21Å; V45-K174 WeakPolarHBondContact O-CA 3.37Å; S53-K174 WeakPolarHBondContact OG-CE 3.29Å; S53-K174 PolarHBondContact OG-NZ 3.43Å; S53-K174 VanDerWaalsContact OG-NZ 3.17Å; Y68-K174 HydrophobicContact CE2-CB 3.71Å; Y68-K174 WeakPolarHBondContact OH-CB 2.97Å; L69-K174 PolarHBondContact O-N 2.88Å; L69-K174 VanDerWaalsContact O-N 3.09Å; M70-K174 HydrophobicContact CG-CD 4.11Å; E71-K174 WeakPolarHBondContact CA-O 3.46Å; E71-K174 HydrophobicContact CG-CD 3.83Å; E71-K174 VanDerWaalsContact CG-NZ 3.3Å; E71-K174 PolarHBondContact N-O 3.29Å; E71-K174 IonicContact OE1-NZ 2.77Å; E71-K174 PolarHBondContact OE1-NZ 3.14Å; E71-K174 IonicContact OE2-NZ 3.27Å; K174-V176 VanDerWaalsContact CE-CG1 3.45Å; K174-V176 VanDerWaalsContact NZ-CG1 3.29Å
175E98.1Very high97.5Very high0 Ų025.1 Ų25.10%012%0.124CC..EExtended strand (participates in β ladder)trans-131.6145.6-177.1-80.3-61.316700113.8L44 V45 S47 E71 P72 A73 V96 R177 F178L44-E175 HydrophobicContact CD1-CB 3.95Å; L44-E175 HydrophobicContact CD1-CG 4.09Å; V45-E175 PolarHBondContact O-N 3.08Å; S47-E175 PolarHBondContact N-O 2.91Å; E71-E175 VanDerWaalsContact C-OE1 3.23Å; E71-E175 WeakPolarHBondContact CA-OE1 3.38Å; P72-E175 WeakPolarHBondContact CD-OE1 3.16Å; P72-E175 VanDerWaalsContact CG-OE1 3.25Å; P72-E175 WeakPolarHBondContact CG-OE1 3.41Å; A73-E175 VanDerWaalsContact CB-OE1 3.3Å; A73-E175 WeakPolarHBondContact CB-OE1 3.36Å; A73-E175 PolarHBondContact N-OE1 3.35Å; V96-E175 HydrophobicContact CG2-CG 4.08Å; E175-R177 IonicContact OE2-NH1 3.49Å; E175-F178 HydrophobicContact CB-CD2 4.08Å; E175-F178 HydrophobicContact CB-CE2 4.2Å; E175-F178 HydrophobicContact CG-CE2 4.26Å
176V97.4Very high97.4Very high1 Ų128.3 Ų28.31%0.00614%0.144CC..  trans-125.30.2179.4-72.10000113.3S47 W49 E71 K174S47-V176 VanDerWaalsContact O-CA 3.32Å; S47-V176 WeakPolarHBondContact O-CA 3.45Å; W49-V176 HydrophobicContact CD2-CB 3.95Å; W49-V176 HydrophobicContact CD2-CG2 3.76Å; W49-V176 HydrophobicContact CE3-CB 4.06Å; W49-V176 HydrophobicContact CE3-CG2 4.28Å; W49-V176 HydrophobicContact CG-CB 4.44Å; W49-V176 HydrophobicContact CG-CG2 4.21Å; W49-V176 HydrophobicContact CH2-CB 4.28Å; W49-V176 HydrophobicContact CH2-CG2 4.01Å; W49-V176 VanDerWaalsContact CH2-O 3.24Å; W49-V176 WeakPolarHBondContact CH2-O 3.39Å; W49-V176 HydrophobicContact CZ2-CB 4.25Å; W49-V176 HydrophobicContact CZ2-CG2 3.53Å; W49-V176 HydrophobicContact CZ3-CB 4.18Å; W49-V176 HydrophobicContact CZ3-CG2 4.35Å; W49-V176 WeakPolarHBondContact CZ3-O 3.41Å; E71-V176 HydrophobicContact CG-CG2 4.13Å; E71-V176 WeakPolarHBondContact OE2-CG2 3.29Å; K174-V176 VanDerWaalsContact CE-CG1 3.45Å; K174-V176 VanDerWaalsContact NZ-CG1 3.29Å
177R96.9Very high97.4Very high5 Ų521.8 Ų21.82%0.01912%0.119CC..  trans-97.14.9-172.3-68.8172.917873.414.6114.1W49 E71 A73 W74 W77 V92 E175 D221W49-R177 HydrophobicContact CH2-CG 3.72Å; W49-R177 HydrophobicContact CZ2-CG 3.84Å; E71-R177 IonicContact OE2-CZ 3.3Å; E71-R177 IonicContact OE2-NH1 3.38Å; E71-R177 PolarHBondContact OE2-NH1 3.4Å; E71-R177 IonicContact OE2-NH2 2.9Å; E71-R177 PolarHBondContact OE2-NH2 3.43Å; A73-R177 VanDerWaalsContact O-CD 3.27Å; A73-R177 WeakPolarHBondContact O-CD 3.22Å; W74-R177 VanDerWaalsContact CA-CZ 3.45Å; W74-R177 VanDerWaalsContact CD1-NH2 3.33Å; W77-R177 HydrophobicContact CD2-CB 4.39Å; W77-R177 VanDerWaalsContact CD2-CD 3.47Å; W77-R177 HydrophobicContact CD2-CG 3.67Å; W77-R177 HydrophobicContact CE3-CG 3.94Å; W77-R177 HydrophobicContact CG-CG 4.25Å; W77-R177 HydrophobicContact CH2-CB 4.4Å; W77-R177 HydrophobicContact CH2-CG 4.05Å; W77-R177 HydrophobicContact CZ2-CB 3.75Å; W77-R177 HydrophobicContact CZ2-CG 3.74Å; W77-R177 HydrophobicContact CZ3-CG 4.13Å; V92-R177 HydrophobicContact CG1-CB 4.25Å; E175-R177 IonicContact OE2-NH1 3.49Å; R177-D221 IonicContact CZ-OD1 2.59Å; R177-D221 IonicContact NE-OD1 3.85Å; R177-D221 IonicContact NH2-OD1 3.92Å; R177-D221 PolarHBondContact NH2-OD1 3Å
178F97.3Very high97.4Very high4 Ų419.5 Ų19.52%0.01810%0.104CC..  trans-102.7123.4172.9-64.6-71.2000110.6L44 L46 V92 R93 V96 E175 V183 L184L44-F178 HydrophobicContact CD2-CD2 4.45Å; L44-F178 HydrophobicContact CD2-CE2 4.47Å; L46-F178 HydrophobicContact CD1-CB 3.69Å; L46-F178 HydrophobicContact CD1-CD2 4.32Å; L46-F178 HydrophobicContact CD1-CG 4.5Å; V92-F178 HydrophobicContact CB-CE1 4.28Å; V92-F178 HydrophobicContact CB-CZ 4.4Å; V92-F178 HydrophobicContact CG1-CD1 4.17Å; V92-F178 HydrophobicContact CG1-CD2 4.47Å; V92-F178 HydrophobicContact CG1-CE1 3.53Å; V92-F178 HydrophobicContact CG1-CE2 3.88Å; V92-F178 HydrophobicContact CG1-CZ 3.38Å; R93-F178 HydrophobicContact CB-CE1 4.18Å; R93-F178 HydrophobicContact CB-CZ 4.46Å; V96-F178 HydrophobicContact CB-CZ 4.4Å; V96-F178 HydrophobicContact CG2-CE2 4.04Å; V96-F178 HydrophobicContact CG2-CZ 4.09Å; E175-F178 HydrophobicContact CB-CD2 4.08Å; E175-F178 HydrophobicContact CB-CE2 4.2Å; E175-F178 HydrophobicContact CG-CE2 4.26Å; F178-V183 HydrophobicContact CD1-CB 4.44Å; F178-V183 HydrophobicContact CD1-CG1 3.92Å; F178-V183 HydrophobicContact CE1-CG1 3.94Å; F178-L184 HydrophobicContact CD1-CD2 3.88Å; F178-L184 HydrophobicContact CD1-CG 4.29Å; F178-L184 HydrophobicContact CD2-CD1 4.5Å; F178-L184 HydrophobicContact CD2-CD2 3.92Å; F178-L184 HydrophobicContact CE1-CD2 3.68Å; F178-L184 HydrophobicContact CE2-CD2 3.71Å; F178-L184 HydrophobicContact CG-CD1 4.4Å; F178-L184 HydrophobicContact CG-CD2 3.99Å; F178-L184 HydrophobicContact CG-CG 4.32Å; F178-L184 HydrophobicContact CZ-CD2 3.57Å
179F96.2Very high97.3Very high26 Ų2622.6 Ų22.611%0.11413%0.126CC..  trans-110.1-0.4-176.5-69.3-108.6000113.4W49 W77 A85 V225 E244 S248W49-F179 HydrophobicContact CH2-CE2 4.36Å; W49-F179 HydrophobicContact CH2-CZ 4.3Å; W49-F179 HydrophobicContact CZ3-CE2 4.04Å; W49-F179 AromaticContact CZ3-CZ 3.62Å; W49-F179 HydrophobicContact CZ3-CZ 3.62Å; W77-F179 AromaticContact CH2-CE2 3.75Å; W77-F179 HydrophobicContact CH2-CE2 3.75Å; W77-F179 HydrophobicContact CH2-CZ 4.21Å; W77-F179 HydrophobicContact CZ2-CE2 4.09Å; A85-F179 HydrophobicContact CB-CD2 4.18Å; A85-F179 HydrophobicContact CB-CE2 4.08Å; F179-V225 HydrophobicContact CE1-CG1 4.21Å; F179-V225 HydrophobicContact CE1-CG2 4.07Å; F179-V225 HydrophobicContact CE2-CG2 4.3Å; F179-V225 HydrophobicContact CZ-CG1 4.42Å; F179-V225 HydrophobicContact CZ-CG2 3.46Å; F179-V225 VanDerWaalsContact CZ-CG2 3.46Å; F179-E244 HydrophobicContact CD1-CG 4.06Å; F179-E244 HydrophobicContact CE1-CG 4.19Å; F179-S248 VanDerWaalsContact CA-OG 3.29Å; F179-S248 WeakPolarHBondContact CA-OG 3.25Å; F179-S248 PolarHBondContact O-OG 3.4Å
180N95.2Very high97.2Very high48 Ų4821 Ų2126%0.25711%0.113SC..  trans-149.7129.6-179.8-179-7.4000108.6Q182 V183N180-Q182 VanDerWaalsContact C-N 3.25Å; N180-Q182 PolarHBondContact ND2-OE1 3.04Å; N180-Q182 PolarHBondContact O-N 2.86Å; N180-Q182 WeakPolarHBondContact OD1-CB 3.27Å; N180-Q182 WeakPolarHBondContact OD1-CG 3.46Å; N180-Q182 PolarHBondContact OD1-N 3.21Å; N180-V183 HydrophobicContact CB-CG2 4.26Å; N180-V183 PolarHBondContact O-N 3.41Å
181L96.3Very high97Very high0 Ų025.9 Ų25.90%015%0.146CC..G310 helixtrans-62.8-32.1178.8-172.365.9000112.5L46 V183 L184 Y185 I197 I252 A255 A256 L264 Y268L46-L181 HydrophobicContact CD2-CD1 4.49Å; L181-V183 PolarHBondContact O-N 3.2Å; L181-L184 HydrophobicContact CD1-CD1 4.31Å; L181-L184 WeakPolarHBondContact O-CA 3.35Å; L181-L184 WeakPolarHBondContact O-CB 3.38Å; L181-L184 PolarHBondContact O-N 3.34Å; L181-Y185 HydrophobicContact CD2-CE1 4.2Å; L181-Y185 HydrophobicContact CG-CE1 3.93Å; L181-Y185 WeakPolarHBondContact O-CD1 3.39Å; L181-I197 HydrophobicContact CD1-CD1 3.74Å; L181-I252 HydrophobicContact CB-CG1 4.43Å; L181-I252 HydrophobicContact CB-CG2 4.21Å; L181-I252 HydrophobicContact CD1-CG2 4.41Å; L181-A255 HydrophobicContact CB-CB 4.13Å; L181-A255 HydrophobicContact CD2-CB 4.02Å; L181-A256 HydrophobicContact CD2-CB 3.85Å; L181-L264 HydrophobicContact CD2-CD1 4.48Å; L181-L264 HydrophobicContact CD2-CD2 3.89Å; L181-Y268 HydrophobicContact CD1-CD2 4.5Å
182Q95.4Very high96.9Very high107 Ų10729.3 Ų29.350%0.517%0.167SC..G310 helixtrans-61.3-28.7-177.5-65.5172.6-2000112.9N180 L184 Y185N180-Q182 VanDerWaalsContact C-N 3.25Å; N180-Q182 PolarHBondContact ND2-OE1 3.04Å; N180-Q182 PolarHBondContact O-N 2.86Å; N180-Q182 WeakPolarHBondContact OD1-CB 3.27Å; N180-Q182 WeakPolarHBondContact OD1-CG 3.46Å; N180-Q182 PolarHBondContact OD1-N 3.21Å; Q182-L184 PolarHBondContact O-N 3.25Å; Q182-Y185 HydrophobicContact CB-CD2 4.24Å; Q182-Y185 HydrophobicContact CB-CE2 4.11Å; Q182-Y185 HydrophobicContact CG-CD2 4.31Å; Q182-Y185 HydrophobicContact CG-CE1 4.44Å; Q182-Y185 HydrophobicContact CG-CE2 3.68Å; Q182-Y185 WeakPolarHBondContact O-CB 3.34Å; Q182-Y185 PolarHBondContact O-N 3.35Å; Q182-Y185 VanDerWaalsContact O-N 3.11Å
183V96.3Very high96.8Very high20 Ų2029.5 Ų29.512%0.12117%0.168CC..G310 helixtrans-60.8-28.7174.4177.80000111.3H89 R93 F178 N180 L181 P186H89-V183 HydrophobicContact CB-CG1 3.9Å; H89-V183 HydrophobicContact CB-CG2 4.35Å; H89-V183 WeakPolarHBondContact ND1-CG2 3.17Å; R93-V183 HydrophobicContact CB-CG1 4.5Å; R93-V183 WeakPolarHBondContact CD-O 3.37Å; F178-V183 HydrophobicContact CD1-CB 4.44Å; F178-V183 HydrophobicContact CD1-CG1 3.92Å; F178-V183 HydrophobicContact CE1-CG1 3.94Å; N180-V183 HydrophobicContact CB-CG2 4.26Å; N180-V183 PolarHBondContact O-N 3.41Å; L181-V183 PolarHBondContact O-N 3.2Å; V183-P186 WeakPolarHBondContact O-CD 3.48Å
184L97.6Very high96.8Very high0 Ų031 Ų310%018%0.176CC..G310 helixtrans-89.4-5.5-179.2-60.6169.7000113.1L44 L46 F178 L181 Q182 P186 L187 L188 I197L44-L184 HydrophobicContact CD2-CD1 3.56Å; L44-L184 HydrophobicContact CD2-CD2 3.86Å; L44-L184 HydrophobicContact CD2-CG 4.36Å; L46-L184 HydrophobicContact CD2-CD1 3.99Å; F178-L184 HydrophobicContact CD1-CD2 3.88Å; F178-L184 HydrophobicContact CD1-CG 4.29Å; F178-L184 HydrophobicContact CD2-CD1 4.5Å; F178-L184 HydrophobicContact CD2-CD2 3.92Å; F178-L184 HydrophobicContact CE1-CD2 3.68Å; F178-L184 HydrophobicContact CE2-CD2 3.71Å; F178-L184 HydrophobicContact CG-CD1 4.4Å; F178-L184 HydrophobicContact CG-CD2 3.99Å; F178-L184 HydrophobicContact CG-CG 4.32Å; F178-L184 HydrophobicContact CZ-CD2 3.57Å; L181-L184 HydrophobicContact CD1-CD1 4.31Å; L181-L184 WeakPolarHBondContact O-CA 3.35Å; L181-L184 WeakPolarHBondContact O-CB 3.38Å; L181-L184 PolarHBondContact O-N 3.34Å; Q182-L184 PolarHBondContact O-N 3.25Å; L184-P186 VanDerWaalsContact C-CD 3.5Å; L184-L187 HydrophobicContact CD2-CD1 4.09Å; L184-L187 WeakPolarHBondContact O-CB 3.4Å; L184-L187 PolarHBondContact O-N 2.97Å; L184-L188 PolarHBondContact O-N 3.2Å; L184-I197 HydrophobicContact CD1-CD1 4.06Å
185Y97.1Very high96.8Very high49 Ų4930.9 Ų30.919%0.19218%0.176CC..Hα-helixtrans-57.2-40.4179.7-71-0.9000113.4L181 Q182 L187 L188 S189 P261 F263L181-Y185 HydrophobicContact CD2-CE1 4.2Å; L181-Y185 HydrophobicContact CG-CE1 3.93Å; L181-Y185 WeakPolarHBondContact O-CD1 3.39Å; Q182-Y185 HydrophobicContact CB-CD2 4.24Å; Q182-Y185 HydrophobicContact CB-CE2 4.11Å; Q182-Y185 HydrophobicContact CG-CD2 4.31Å; Q182-Y185 HydrophobicContact CG-CE1 4.44Å; Q182-Y185 HydrophobicContact CG-CE2 3.68Å; Q182-Y185 WeakPolarHBondContact O-CB 3.34Å; Q182-Y185 PolarHBondContact O-N 3.35Å; Q182-Y185 VanDerWaalsContact O-N 3.11Å; Y185-L187 PolarHBondContact O-N 2.88Å; Y185-L188 HydrophobicContact CD1-CD1 4.16Å; Y185-L188 PolarHBondContact O-N 3.17Å; Y185-S189 WeakPolarHBondContact O-CB 3.43Å; Y185-S189 PolarHBondContact O-N 2.67Å; Y185-S189 PolarHBondContact O-OG 3.15Å; Y185-P261 HydrophobicContact CE1-CG 4.22Å; Y185-P261 HydrophobicContact CE2-CG 3.96Å; Y185-P261 WeakPolarHBondContact OH-CG 3.5Å; Y185-F263 AromaticContact CD1-CE2 3.76Å; Y185-F263 HydrophobicContact CD1-CE2 3.76Å; Y185-F263 AromaticContact CD1-CZ 3.69Å; Y185-F263 HydrophobicContact CD1-CZ 3.69Å; Y185-F263 AromaticContact CD2-CZ 3.79Å; Y185-F263 HydrophobicContact CD2-CZ 3.79Å; Y185-F263 HydrophobicContact CE1-CE2 4.1Å; Y185-F263 HydrophobicContact CE1-CZ 4.04Å; Y185-F263 HydrophobicContact CE2-CZ 4.14Å; Y185-F263 HydrophobicContact CG-CE2 4.07Å; Y185-F263 AromaticContact CG-CZ 3.55Å; Y185-F263 HydrophobicContact CG-CZ 3.55Å
186P97.4Very high96.8Very high66 Ų6633.5 Ų33.543%0.42919%0.185SC..Hα-helixtrans-58.7-35.2173.8-25.335.8000113.3V183 L184 D190V183-P186 WeakPolarHBondContact O-CD 3.48Å; L184-P186 VanDerWaalsContact C-CD 3.5Å; P186-D190 WeakPolarHBondContact O-CB 3.48Å; P186-D190 PolarHBondContact O-N 3.09Å; P186-D190 VanDerWaalsContact O-N 3.16Å
187L97.8Very high96.8Very high2 Ų233.4 Ų33.41%0.0119%0.185CC..Hα-helixtrans-74.8-36.9177.6-54.6-169.5000112.1R93 V96 R97 L184 Y185 S189 D190 L193 L195R93-L187 HydrophobicContact CG-CD1 3.94Å; R93-L187 HydrophobicContact CG-CD2 3.82Å; R93-L187 HydrophobicContact CG-CG 3.78Å; V96-L187 HydrophobicContact CG1-CD1 3.97Å; R97-L187 HydrophobicContact CB-CD2 3.61Å; R97-L187 HydrophobicContact CG-CD2 3.75Å; L184-L187 HydrophobicContact CD2-CD1 4.09Å; L184-L187 WeakPolarHBondContact O-CB 3.4Å; L184-L187 PolarHBondContact O-N 2.97Å; Y185-L187 PolarHBondContact O-N 2.88Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-D190 PolarHBondContact O-N 3.35Å; L187-L193 HydrophobicContact CB-CD1 4.17Å; L187-L193 HydrophobicContact CD2-CD1 4.37Å; L187-L195 HydrophobicContact CB-CD2 3.7Å
188L96.6Very high96.9Very high2 Ų233.2 Ų33.21%0.0118%0.184CC..Hα-helixtrans-68.1-34.8174.8-73.9162.6000111.3L184 Y185 D190 L195 I197 F263 L264 R267L184-L188 PolarHBondContact O-N 3.2Å; Y185-L188 HydrophobicContact CD1-CD1 4.16Å; Y185-L188 PolarHBondContact O-N 3.17Å; L188-D190 VanDerWaalsContact C-N 3.3Å; L188-L195 HydrophobicContact CD2-CB 4.43Å; L188-L195 HydrophobicContact CD2-CD2 4.05Å; L188-L195 HydrophobicContact CD2-CG 4.14Å; L188-L195 HydrophobicContact CG-CD2 4.12Å; L188-I197 HydrophobicContact CD1-CD1 3.85Å; L188-I197 HydrophobicContact CD2-CD1 4Å; L188-I197 HydrophobicContact CD2-CG1 4.34Å; L188-I197 HydrophobicContact CG-CD1 4.16Å; L188-F263 HydrophobicContact CB-CD2 3.79Å; L188-F263 HydrophobicContact CB-CE2 3.93Å; L188-F263 HydrophobicContact CD1-CD2 4.33Å; L188-F263 HydrophobicContact CD1-CE2 3.95Å; L188-L264 HydrophobicContact CD1-CD1 3.6Å; L188-L264 HydrophobicContact CD2-CD1 4.21Å; L188-R267 PolarHBondContact O-NH1 2.89Å; L188-R267 PolarHBondContact O-NH2 2.99Å
189S95.8Very high96.9Very high71 Ų7133 Ų3350%0.49718%0.183SC..SBendtrans-85-3.9178.8-61.60000113.6Y185 L187 P191Y185-S189 WeakPolarHBondContact O-CB 3.43Å; Y185-S189 PolarHBondContact O-N 2.67Å; Y185-S189 PolarHBondContact O-OG 3.15Å; L187-S189 VanDerWaalsContact C-N 3.33Å; S189-P191 WeakPolarHBondContact O-CD 3.35Å
190D96.3Very high97Very high22 Ų2231.8 Ų31.812%0.11818%0.178CC..  trans-74.8117.7179.4-168.5-31000110.5R97 P186 L187 L188 T192 L193R97-D190 IonicContact CZ-OD2 2.67Å; R97-D190 IonicContact NE-OD2 3.8Å; R97-D190 PolarHBondContact NE-OD2 2.92Å; R97-D190 IonicContact NH2-OD1 2.8Å; R97-D190 IonicContact NH2-OD2 3.08Å; R97-D190 PolarHBondContact NH2-OD2 3.31Å; P186-D190 WeakPolarHBondContact O-CB 3.48Å; P186-D190 PolarHBondContact O-N 3.09Å; P186-D190 VanDerWaalsContact O-N 3.16Å; L187-D190 PolarHBondContact O-N 3.35Å; L188-D190 VanDerWaalsContact C-N 3.3Å; D190-T192 PolarHBondContact O-N 3.23Å; D190-T192 WeakPolarHBondContact OD1-CB 3.36Å; D190-T192 PolarHBondContact OD1-N 3.38Å; D190-T192 PolarHBondContact OD1-OG1 2.99Å; D190-T192 PolarHBondContact OD2-OG1 3.16Å; D190-L193 HydrophobicContact CB-CB 4.32Å; D190-L193 HydrophobicContact CB-CD1 4.14Å; D190-L193 HydrophobicContact CB-CG 4.22Å; D190-L193 PolarHBondContact O-N 3.37Å; D190-L193 VanDerWaalsContact O-N 3.1Å
191P95.2Very high97.1Very high118 Ų11829.5 Ų29.577%0.76617%0.166SC*.THydrogen-bonded Turntrans-69.7-12.7-178.930.6-36.8000113.3S189 L193S189-P191 WeakPolarHBondContact O-CD 3.35Å; P191-L193 VanDerWaalsContact C-N 3.26Å
192T96.3Very high97.1Very high72 Ų7230.3 Ų30.344%0.44217%0.169SC..THydrogen-bonded Turntrans-82.1-7.2174.367.60000112.7D190D190-T192 PolarHBondContact O-N 3.23Å; D190-T192 WeakPolarHBondContact OD1-CB 3.36Å; D190-T192 PolarHBondContact OD1-N 3.38Å; D190-T192 PolarHBondContact OD1-OG1 2.99Å; D190-T192 PolarHBondContact OD2-OG1 3.16Å
193L97.4Very high97.2Very high4 Ų425.4 Ų25.42%0.02115%0.146CC..  trans-120.2109.9-177-63.5-179.2000112.1R97 F100 L101 L187 D190 P191 L195R97-L193 HydrophobicContact CG-CD1 4.32Å; F100-L193 HydrophobicContact CB-CD2 3.77Å; L101-L193 HydrophobicContact CD2-CD2 3.64Å; L101-L193 HydrophobicContact CG-CD2 4.11Å; L187-L193 HydrophobicContact CB-CD1 4.17Å; L187-L193 HydrophobicContact CD2-CD1 4.37Å; D190-L193 HydrophobicContact CB-CB 4.32Å; D190-L193 HydrophobicContact CB-CD1 4.14Å; D190-L193 HydrophobicContact CB-CG 4.22Å; D190-L193 PolarHBondContact O-N 3.37Å; D190-L193 VanDerWaalsContact O-N 3.1Å; P191-L193 VanDerWaalsContact C-N 3.26Å; L193-L195 HydrophobicContact CB-CB 4.27Å; L193-L195 PolarHBondContact O-N 3.36Å
194N97.4Very high97.3Very high32 Ų3224.8 Ų24.817%0.17114%0.142CC..EExtended strand (participates in β ladder)trans-74.464.7160.3-169.8-3.6000111.3E39 R40 H42E39-N194 HydrophobicContact CG-CB 4.22Å; R40-N194 WeakPolarHBondContact O-CB 3.17Å; H42-N194 PolarHBondContact N-O 2.83Å; H42-N194 PolarHBondContact ND1-N 3.34Å
195L98.3Very high97.3Very high0 Ų024.8 Ų24.80%014%0.142CC..EExtended strand (participates in β ladder)trans-82.9125.1-172.6179.861000112.8H42 L44 F100 L187 L188 L193 I197 R267H42-L195 HydrophobicContact CB-CD1 4.18Å; H42-L195 CarbonylContact O-C 3.57Å; H42-L195 WeakPolarHBondContact O-CA 3.23Å; L44-L195 HydrophobicContact CB-CD1 4.05Å; F100-L195 HydrophobicContact CE1-CD1 4.48Å; F100-L195 HydrophobicContact CE2-CD1 3.83Å; F100-L195 HydrophobicContact CZ-CD1 3.78Å; L187-L195 HydrophobicContact CB-CD2 3.7Å; L188-L195 HydrophobicContact CD2-CB 4.43Å; L188-L195 HydrophobicContact CD2-CD2 4.05Å; L188-L195 HydrophobicContact CD2-CG 4.14Å; L188-L195 HydrophobicContact CG-CD2 4.12Å; L193-L195 HydrophobicContact CB-CB 4.27Å; L193-L195 PolarHBondContact O-N 3.36Å; L195-I197 HydrophobicContact CG-CG1 4.46Å; L195-R267 WeakPolarHBondContact O-CB 3.41Å; L195-R267 WeakPolarHBondContact O-CD 3.18Å
196R98.4Very high97.2Very high54 Ų5422.5 Ų22.520%0.20413%0.134CC..EExtended strand (participates in β ladder)trans-116137.5168.9-55.8-176.3-168.6178.87.8110H42 V43 L44 R267 F290H42-R196 PolarHBondContact O-N 3Å; V43-R196 CarbonylContact C-O 3.6Å; V43-R196 VanDerWaalsContact CA-O 3.31Å; V43-R196 WeakPolarHBondContact CA-O 3.35Å; L44-R196 PolarHBondContact N-O 3.26Å; R196-R267 CarbonylContact C-O 3.36Å; R196-R267 WeakPolarHBondContact CA-O 3.19Å; R196-F290 HydrophobicContact CB-CE1 3.95Å; R196-F290 HydrophobicContact CB-CZ 3.95Å; R196-F290 VanDerWaalsContact CD-O 3.24Å; R196-F290 WeakPolarHBondContact CD-O 3.49Å; R196-F290 PolarHBondContact NH1-O 3.2Å
197I98.6Very high97.2Very high0 Ų019.4 Ų19.40%011%0.114CC..EExtended strand (participates in β ladder)trans-108.9122.4-179.7-61.4177.1000109.6L44 L46 L181 L184 L188 L195 H199 R267 Y268 R269L44-I197 HydrophobicContact CB-CG1 4.34Å; L44-I197 WeakPolarHBondContact O-CA 3.47Å; L46-I197 HydrophobicContact CB-CG2 3.92Å; L46-I197 HydrophobicContact CD2-CG2 4.05Å; L181-I197 HydrophobicContact CD1-CD1 3.74Å; L184-I197 HydrophobicContact CD1-CD1 4.06Å; L188-I197 HydrophobicContact CD1-CD1 3.85Å; L188-I197 HydrophobicContact CD2-CD1 4Å; L188-I197 HydrophobicContact CD2-CG1 4.34Å; L188-I197 HydrophobicContact CG-CD1 4.16Å; L195-I197 HydrophobicContact CG-CG1 4.46Å; I197-H199 HydrophobicContact CG2-CB 4.49Å; I197-R267 PolarHBondContact N-O 3.36Å; I197-Y268 HydrophobicContact CB-CD2 4.01Å; I197-Y268 HydrophobicContact CG2-CD2 3.84Å; I197-Y268 HydrophobicContact CG2-CE2 4.18Å; I197-Y268 CarbonylContact O-C 3.56Å; I197-Y268 WeakPolarHBondContact O-CA 3.32Å; I197-R269 PolarHBondContact O-N 3.12Å
198V98.3Very high97.1Very high0 Ų019.6 Ų19.60%011%0.114CC..EExtended strand (participates in β ladder)trans-100.4100.4167.8177.70000106.8V43 L44 V45 L46 F60 L200 R269 V271 L287 F290 T291V43-V198 HydrophobicContact CG1-CG2 3.88Å; L44-V198 PolarHBondContact O-N 2.61Å; V45-V198 CarbonylContact C-O 3.52Å; V45-V198 WeakPolarHBondContact CA-O 3.37Å; L46-V198 PolarHBondContact N-O 3.08Å; F60-V198 HydrophobicContact CZ-CG2 4.44Å; V198-L200 PolarHBondContact O-N 2.88Å; V198-R269 CarbonylContact C-O 2.72Å; V198-R269 WeakPolarHBondContact CA-O 3.43Å; V198-V271 HydrophobicContact CG1-CG2 4.08Å; V198-L287 HydrophobicContact CB-CD1 4.23Å; V198-L287 HydrophobicContact CG1-CD1 3.59Å; V198-L287 HydrophobicContact CG2-CD1 3.55Å; V198-F290 HydrophobicContact CG2-CD1 4.17Å; V198-F290 HydrophobicContact CG2-CE1 3.96Å; V198-T291 HydrophobicContact CG2-CG2 4.36Å
199H97.8Very high97.1Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-89104.1178.2179.1-154.2000110.2L46 I197 H249 I252 Y268 R269 L270 V271L46-H199 CarbonylContact O-C 3.33Å; L46-H199 WeakPolarHBondContact O-CA 3.34Å; I197-H199 HydrophobicContact CG2-CB 4.49Å; H199-H249 AromaticContact CE1-ND1 3.78Å; H199-H249 AromaticContact NE2-CE1 3.76Å; H199-H249 AromaticContact NE2-ND1 3.02Å; H199-H249 PolarHBondContact NE2-ND1 3.33Å; H199-I252 WeakPolarHBondContact CE1-CG2 3.41Å; H199-I252 VanDerWaalsContact ND1-CG2 3.34Å; H199-I252 WeakPolarHBondContact ND1-CG2 3.41Å; H199-Y268 HydrophobicContact CB-CD2 4.47Å; H199-Y268 HydrophobicContact CB-CE2 3.49Å; H199-Y268 VanDerWaalsContact CB-CE2 3.49Å; H199-Y268 WeakPolarHBondContact CB-OH 3.34Å; H199-Y268 AromaticContact ND1-CZ 3.78Å; H199-Y268 PolarHBondContact ND1-OH 2.69Å; H199-R269 PolarHBondContact N-O 2.98Å; H199-L270 WeakPolarHBondContact O-CA 3.31Å; H199-V271 PolarHBondContact O-N 2.83Å
200L97.4Very high96.9Very high0 Ų018.9 Ų18.90%010%0.102CC..EExtended strand (participates in β ladder)trans-90.1123.9178.5-175.272.8000111L46 S47 S51 V56 V198 V271 L276L46-L200 PolarHBondContact O-N 3.06Å; S47-L200 WeakPolarHBondContact CB-O 3.49Å; S47-L200 PolarHBondContact OG-O 3.08Å; S51-L200 WeakPolarHBondContact O-CD2 3.47Å; V56-L200 HydrophobicContact CB-CD2 4.37Å; V56-L200 HydrophobicContact CG2-CD1 4.07Å; V56-L200 HydrophobicContact CG2-CD2 3.75Å; V198-L200 PolarHBondContact O-N 2.88Å; L200-V271 WeakPolarHBondContact CA-O 3.48Å; L200-V271 HydrophobicContact CD1-CB 4.14Å; L200-V271 HydrophobicContact CD1-CG1 4.04Å; L200-L276 HydrophobicContact CD1-CD1 3.81Å
201V97Very high96.8Very high0 Ų018.7 Ų18.70%010%0.099CC..EExtended strand (participates in β ladder)trans-117.8161.8175-550000110.7H249 L270 V271 R272 F273 L356V201-H249 HydrophobicContact CG1-CB 4.42Å; V201-L270 HydrophobicContact CG1-CD1 4.15Å; V201-L270 HydrophobicContact CG1-CG 4.46Å; V201-L270 HydrophobicContact CG2-CD2 4.19Å; V201-L270 HydrophobicContact CG2-CG 4.46Å; V201-V271 PolarHBondContact N-O 2.76Å; V201-R272 HydrophobicContact CG2-CB 4.32Å; V201-R272 HydrophobicContact CG2-CG 3.74Å; V201-F273 PolarHBondContact O-N 3.46Å; V201-L356 HydrophobicContact CB-CD1 3.99Å; V201-L356 HydrophobicContact CG1-CD1 4.21Å; V201-L356 HydrophobicContact CG1-CD2 4.21Å; V201-L356 HydrophobicContact CG2-CD1 4.16Å; V201-L356 HydrophobicContact CG2-CD2 4.21Å
202R97Very high96.6Very high18 Ų1816.9 Ų16.97%0.0688%0.081CC..  trans-147156.3178-173.1175.4-174.1-176.65.4110.1R50 A206 V207 F273 E274 V329 Y358R50-R202 WeakPolarHBondContact O-CD 3.35Å; R50-R202 PolarHBondContact O-NH1 2.88Å; R202-A206 HydrophobicContact CG-CB 4.25Å; R202-V207 HydrophobicContact CB-CG2 3.94Å; R202-V207 HydrophobicContact CG-CG2 4.19Å; R202-F273 HydrophobicContact CB-CB 4Å; R202-F273 HydrophobicContact CG-CB 3.89Å; R202-F273 HydrophobicContact CG-CD1 4.04Å; R202-F273 HydrophobicContact CG-CG 4.21Å; R202-E274 VanDerWaalsContact CG-OE1 3.23Å; R202-E274 WeakPolarHBondContact CG-OE1 3.5Å; R202-V329 PolarHBondContact NH2-O 3.19Å; R202-V329 VanDerWaalsContact NH2-O 3.11Å; R202-Y358 WeakPolarHBondContact CA-OH 3.34Å
203D97.6Very high96.3Very high4 Ų416.8 Ų16.82%0.0218%0.075CC..  trans-52.8121.6172.5-172.3-39.4000110.5R205 A206 V207 E274 Y358D203-R205 PolarHBondContact O-N 2.8Å; D203-R205 VanDerWaalsContact O-N 3.13Å; D203-R205 WeakPolarHBondContact OD1-CB 3.24Å; D203-R205 WeakPolarHBondContact OD1-CG 3.43Å; D203-R205 IonicContact OD1-CZ 3.91Å; D203-R205 PolarHBondContact OD1-N 3.21Å; D203-R205 IonicContact OD1-NE 3.05Å; D203-R205 PolarHBondContact OD1-NE 2.94Å; D203-R205 IonicContact OD1-NH2 2.83Å; D203-R205 IonicContact OD2-CZ 2.73Å; D203-R205 VanDerWaalsContact OD2-CZ 3.3Å; D203-R205 IonicContact OD2-NE 3.37Å; D203-R205 PolarHBondContact OD2-NE 3.12Å; D203-R205 VanDerWaalsContact OD2-NE 3.12Å; D203-R205 IonicContact OD2-NH2 3.48Å; D203-R205 PolarHBondContact OD2-NH2 3Å; D203-A206 HydrophobicContact CB-CB 4.18Å; D203-A206 WeakPolarHBondContact O-CA 3.45Å; D203-A206 WeakPolarHBondContact O-CB 3.46Å; D203-A206 PolarHBondContact O-N 3.21Å; D203-V207 WeakPolarHBondContact O-CG2 3.35Å; D203-V207 PolarHBondContact O-N 3.19Å; D203-E274 WeakPolarHBondContact CB-OE1 3.2Å; D203-E274 PolarHBondContact N-OE1 3.29Å; D203-Y358 HydrophobicContact CB-CD1 4.03Å; D203-Y358 HydrophobicContact CB-CE1 3.97Å; D203-Y358 HydrophobicContact CB-CG 4.41Å; D203-Y358 PolarHBondContact N-OH 3.29Å
204P97.5Very high96Very high6 Ų617 Ų174%0.0398%0.076CC..Hα-helixtrans-62.1-22.9-176.825.2-34.7000113.5V207 L208 C246 V345 C349 L353P204-V207 PolarHBondContact O-N 3.27Å; P204-L208 PolarHBondContact O-N 2.02Å; P204-C246 WeakPolarHBondContact CB-SG 3.44Å; P204-V345 HydrophobicContact CB-CG1 4Å; P204-V345 HydrophobicContact CG-CG1 4.31Å; P204-C349 HydrophobicContact CB-CB 4.13Å; P204-C349 HydrophobicContact CG-CB 3.88Å; P204-L353 HydrophobicContact CG-CD2 3.58Å; P204-L353 HydrophobicContact CG-CG 4.11Å
205R97.8Very high95.6Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-68.5-40.8172.9-60.1168.5-70.9-165.83.1110.8D203 R209 W333 I342 V345 R359D203-R205 PolarHBondContact O-N 2.8Å; D203-R205 VanDerWaalsContact O-N 3.13Å; D203-R205 WeakPolarHBondContact OD1-CB 3.24Å; D203-R205 WeakPolarHBondContact OD1-CG 3.43Å; D203-R205 IonicContact OD1-CZ 3.91Å; D203-R205 PolarHBondContact OD1-N 3.21Å; D203-R205 IonicContact OD1-NE 3.05Å; D203-R205 PolarHBondContact OD1-NE 2.94Å; D203-R205 IonicContact OD1-NH2 2.83Å; D203-R205 IonicContact OD2-CZ 2.73Å; D203-R205 VanDerWaalsContact OD2-CZ 3.3Å; D203-R205 IonicContact OD2-NE 3.37Å; D203-R205 PolarHBondContact OD2-NE 3.12Å; D203-R205 VanDerWaalsContact OD2-NE 3.12Å; D203-R205 IonicContact OD2-NH2 3.48Å; D203-R205 PolarHBondContact OD2-NH2 3Å; R205-R209 PolarHBondContact O-N 3.26Å; R205-W333 HydrophobicContact CB-CD2 3.68Å; R205-W333 HydrophobicContact CB-CE3 3.73Å; R205-W333 HydrophobicContact CB-CG 4.18Å; R205-W333 HydrophobicContact CB-CH2 4.33Å; R205-W333 HydrophobicContact CB-CZ2 4.29Å; R205-W333 HydrophobicContact CB-CZ3 4.06Å; R205-W333 VanDerWaalsContact CD-CH2 3.48Å; R205-W333 HydrophobicContact CG-CE3 4.49Å; R205-W333 HydrophobicContact CG-CZ3 4.36Å; R205-W333 VanDerWaalsContact CZ-CH2 3.42Å; R205-W333 VanDerWaalsContact NE-CH2 3.34Å; R205-I342 HydrophobicContact CB-CD1 4Å; R205-I342 HydrophobicContact CG-CD1 4.21Å; R205-I342 HydrophobicContact CG-CG2 4.33Å; R205-V345 HydrophobicContact CG-CB 4.39Å; R205-V345 HydrophobicContact CG-CG1 3.96Å; R205-R359 PolarHBondContact NH1-O 2.8Å; R205-R359 PolarHBondContact NH2-O 3.5Å
206A96.6Very high95.3Very high1 Ų124.2 Ų24.21%0.00811%0.112CC..Hα-helixtrans-67.4-39.1172.800000112.1R202 D203 S210 W333R202-A206 HydrophobicContact CG-CB 4.25Å; D203-A206 HydrophobicContact CB-CB 4.18Å; D203-A206 WeakPolarHBondContact O-CA 3.45Å; D203-A206 WeakPolarHBondContact O-CB 3.46Å; D203-A206 PolarHBondContact O-N 3.21Å; A206-S210 WeakPolarHBondContact O-CB 3.23Å; A206-S210 PolarHBondContact O-N 3.09Å; A206-S210 VanDerWaalsContact O-N 3.1Å; A206-W333 VanDerWaalsContact CB-CD1 3.5Å; A206-W333 HydrophobicContact CB-CG 4.23Å
207V96.5Very high95.1Very high2 Ų224.6 Ų24.61%0.01213%0.127CC..Hα-helixtrans-60.1-48.4174.8174.80000110.6R50 R202 D203 P204 R209 S210 R211 V245R50-V207 HydrophobicContact CB-CG1 4.49Å; R202-V207 HydrophobicContact CB-CG2 3.94Å; R202-V207 HydrophobicContact CG-CG2 4.19Å; D203-V207 WeakPolarHBondContact O-CG2 3.35Å; D203-V207 PolarHBondContact O-N 3.19Å; P204-V207 PolarHBondContact O-N 3.27Å; V207-R209 PolarHBondContact O-N 3.14Å; V207-S210 PolarHBondContact O-N 2.97Å; V207-R211 HydrophobicContact CG1-CG 4.18Å; V207-R211 VanDerWaalsContact O-CG 3.29Å; V207-R211 WeakPolarHBondContact O-CG 3.27Å; V207-R211 PolarHBondContact O-N 3.16Å; V207-V245 HydrophobicContact CG1-CG1 4.46Å
208L96.3Very high94.9Very high5 Ų524.8 Ų24.83%0.02613%0.128CC..Hα-helixtrans-54.4-55.5177.3172.562.9000111.5P204 S210 R211 E212 L239 V242 L337 K341 V345P204-L208 PolarHBondContact O-N 2.02Å; L208-S210 PolarHBondContact O-N 3.38Å; L208-R211 PolarHBondContact O-N 3.32Å; L208-E212 HydrophobicContact CD1-CG 4.1Å; L208-E212 PolarHBondContact O-N 3.13Å; L208-L239 HydrophobicContact CD1-CD2 3.71Å; L208-L239 HydrophobicContact CD2-CD1 4.32Å; L208-V242 HydrophobicContact CD1-CG2 4.09Å; L208-L337 HydrophobicContact CB-CD1 4.44Å; L208-L337 HydrophobicContact CD2-CD1 4.07Å; L208-L337 HydrophobicContact CG-CD1 4.22Å; L208-K341 HydrophobicContact CD2-CB 4.46Å; L208-V345 HydrophobicContact CB-CG2 4.18Å; L208-V345 HydrophobicContact CD2-CG2 3.36Å; L208-V345 HydrophobicContact CG-CG2 4.32Å
209R94.9Very high94.8Very high53 Ų5324.8 Ų24.820%0.213%0.128CC..Hα-helixtrans-50.5-47179.3-178.9-151.4-177.2-97.72.6110.7R205 V207 R211 A332 W333 A336 L337R205-R209 PolarHBondContact O-N 3.26Å; V207-R209 PolarHBondContact O-N 3.14Å; R209-R211 VanDerWaalsContact C-N 3.33Å; R209-R211 PolarHBondContact O-N 3.25Å; R209-A332 PolarHBondContact NE-O 3.41Å; R209-W333 HydrophobicContact CB-CB 4.04Å; R209-A336 HydrophobicContact CG-CB 4.19Å; R209-L337 HydrophobicContact CB-CD1 3.81Å; R209-L337 HydrophobicContact CB-CD2 4.37Å; R209-L337 HydrophobicContact CB-CG 4.04Å; R209-L337 HydrophobicContact CG-CG 4.4Å
210S93Very high94.7Very high6 Ų626.4 Ų26.44%0.04213%0.134CC..Hα-helixtrans-71.6-29.5-175.7-168.90000113.2R50 A206 V207 L208 T214R50-S210 PolarHBondContact NE-OG 2.91Å; R50-S210 PolarHBondContact NH2-OG 3.25Å; A206-S210 WeakPolarHBondContact O-CB 3.23Å; A206-S210 PolarHBondContact O-N 3.09Å; A206-S210 VanDerWaalsContact O-N 3.1Å; V207-S210 PolarHBondContact O-N 2.97Å; L208-S210 PolarHBondContact O-N 3.38Å; S210-T214 PolarHBondContact O-OG1 2.84Å
211R93.4Very high94.6Very high18 Ų1826.8 Ų26.87%0.06814%0.136CC..Hα-helixtrans-73.7-38.6176.3-72.8-179.762.775.119112.2R50 V207 L208 R209 Q213 T214 A215 L218 N222R50-R211 HydrophobicContact CB-CG 4.06Å; R50-R211 HydrophobicContact CG-CG 3.54Å; V207-R211 HydrophobicContact CG1-CG 4.18Å; V207-R211 VanDerWaalsContact O-CG 3.29Å; V207-R211 WeakPolarHBondContact O-CG 3.27Å; V207-R211 PolarHBondContact O-N 3.16Å; L208-R211 PolarHBondContact O-N 3.32Å; R209-R211 VanDerWaalsContact C-N 3.33Å; R209-R211 PolarHBondContact O-N 3.25Å; R211-Q213 PolarHBondContact O-N 2.89Å; R211-T214 CarbonylContact O-C 3.53Å; R211-T214 PolarHBondContact O-N 3.4Å; R211-T214 PolarHBondContact O-OG1 3.2Å; R211-A215 PolarHBondContact O-N 3.21Å; R211-L218 HydrophobicContact CG-CD1 4.34Å; R211-N222 PolarHBondContact NH2-OD1 2.92Å
212E91.8Very high94.6Very high79 Ų7927.1 Ų27.137%0.36914%0.138SC..Hα-helixtrans-58.3-34.7175.2-69.6-171161.300111.6L208 T214 L337 K341L208-E212 HydrophobicContact CD1-CG 4.1Å; L208-E212 PolarHBondContact O-N 3.13Å; E212-T214 PolarHBondContact O-N 3.18Å; E212-L337 WeakPolarHBondContact OE2-CD2 3.36Å; E212-K341 IonicContact OE1-NZ 3.81Å; E212-K341 PolarHBondContact OE1-NZ 3.4Å; E212-K341 IonicContact OE2-NZ 2.98Å; E212-K341 PolarHBondContact OE2-NZ 3.37Å
213Q89.4Confident94.6Very high70 Ų7026.3 Ų26.333%0.32714%0.135SC..THydrogen-bonded Turntrans-68.8-20.4175.9-67.1-176.6-2300113.9R211R211-Q213 PolarHBondContact O-N 2.89Å
214T90.2Very high94.6Very high8 Ų826.2 Ų26.25%0.04914%0.135CC..THydrogen-bonded Turntrans-125.821.8-173.764.60000113.2S210 R211 E212 K216 A217 L218 A318 F319S210-T214 PolarHBondContact O-OG1 2.84Å; R211-T214 CarbonylContact O-C 3.53Å; R211-T214 PolarHBondContact O-N 3.4Å; R211-T214 PolarHBondContact O-OG1 3.2Å; E212-T214 PolarHBondContact O-N 3.18Å; T214-K216 PolarHBondContact O-N 3.37Å; T214-A217 PolarHBondContact O-N 3.41Å; T214-A217 VanDerWaalsContact O-N 3.14Å; T214-L218 PolarHBondContact O-N 2.65Å; T214-L218 WeakPolarHBondContact OG1-CD1 3.45Å; T214-A318 HydrophobicContact CG2-CB 3.53Å; T214-F319 VanDerWaalsContact CB-CZ 3.46Å; T214-F319 HydrophobicContact CG2-CD2 4.18Å; T214-F319 HydrophobicContact CG2-CE1 4.31Å; T214-F319 HydrophobicContact CG2-CE2 3.47Å; T214-F319 VanDerWaalsContact CG2-CE2 3.47Å; T214-F319 HydrophobicContact CG2-CZ 3.57Å
215A90.6Very high94.5Very high30 Ų3027 Ų2725%0.24814%0.139CC..THydrogen-bonded Turntrans-54.2-48.8-171.800000112.8R211 A217 L218 A219R211-A215 PolarHBondContact O-N 3.21Å; A215-A217 PolarHBondContact O-N 2.99Å; A215-L218 CarbonylContact O-C 3.58Å; A215-L218 PolarHBondContact O-N 3.16Å; A215-L218 VanDerWaalsContact O-N 3.12Å; A215-A219 PolarHBondContact O-N 2.96Å; A215-A219 VanDerWaalsContact O-N 3.15Å
216K92.2Very high94.5Very high155 Ų15529 Ų2967%0.67415%0.149SC*.G310 helixtrans-57.8-44.3177.7-175.7170.6-173.2176.20113.3T214 L218 A219T214-K216 PolarHBondContact O-N 3.37Å; K216-L218 PolarHBondContact O-N 3.12Å; K216-A219 WeakPolarHBondContact O-CB 3.35Å; K216-A219 PolarHBondContact O-N 3.2Å
217A92.4Very high94.4Very high62 Ų6231 Ų3151%0.51217%0.17SC..G310 helixtrans-69-19.9-17900000113.2T214 A215 F319T214-A217 PolarHBondContact O-N 3.41Å; T214-A217 VanDerWaalsContact O-N 3.14Å; A215-A217 PolarHBondContact O-N 2.99Å; A217-F319 HydrophobicContact CB-CE2 3.59Å; A217-F319 HydrophobicContact CB-CZ 3.76Å
218L94.9Very high94.3Very high4 Ų432.7 Ų32.72%0.02118%0.181CC..G310 helixtrans-1043.4180-62.9175.8000112.6W49 R50 R211 T214 A215 K216 R220 D221 N222 F319W49-L218 HydrophobicContact CB-CD1 4.47Å; W49-L218 HydrophobicContact CB-CD2 4.4Å; W49-L218 VanDerWaalsContact CD1-CD2 3.41Å; W49-L218 HydrophobicContact CG-CD2 3.98Å; R50-L218 HydrophobicContact CG-CD1 4.3Å; R211-L218 HydrophobicContact CG-CD1 4.34Å; T214-L218 PolarHBondContact O-N 2.65Å; T214-L218 WeakPolarHBondContact OG1-CD1 3.45Å; A215-L218 CarbonylContact O-C 3.58Å; A215-L218 PolarHBondContact O-N 3.16Å; A215-L218 VanDerWaalsContact O-N 3.12Å; K216-L218 PolarHBondContact O-N 3.12Å; L218-R220 VanDerWaalsContact C-N 3.32Å; L218-R220 PolarHBondContact O-N 3.05Å; L218-D221 PolarHBondContact O-N 3.19Å; L218-N222 WeakPolarHBondContact O-CB 3.12Å; L218-N222 PolarHBondContact O-N 3.29Å; L218-N222 PolarHBondContact O-ND2 3.05Å; L218-N222 PolarHBondContact O-OD1 3.02Å; L218-N222 VanDerWaalsContact O-OD1 3.06Å; L218-F319 HydrophobicContact CD2-CZ 4.48Å
219A96.3Very high94.1Very high0 Ų038.1 Ų38.10%021%0.21CC..Hα-helixtrans-58.4-42.6-170.100000113.1A215 K216 N222 G223 W232 V233 E234A215-A219 PolarHBondContact O-N 2.96Å; A215-A219 VanDerWaalsContact O-N 3.15Å; K216-A219 WeakPolarHBondContact O-CB 3.35Å; K216-A219 PolarHBondContact O-N 3.2Å; A219-N222 WeakPolarHBondContact O-CB 3.25Å; A219-N222 PolarHBondContact O-N 2.83Å; A219-G223 PolarHBondContact O-N 2.91Å; A219-G223 VanDerWaalsContact O-N 3.11Å; A219-W232 HydrophobicContact CB-CB 4.06Å; A219-W232 HydrophobicContact CB-CE3 3.91Å; A219-V233 WeakPolarHBondContact CA-O 3.22Å; A219-V233 PolarHBondContact O-N 2.94Å; A219-E234 HydrophobicContact CB-CG 3.55Å
220R96.2Very high93.8Very high34 Ų3436.5 Ų36.513%0.12821%0.21CC..Hα-helixtrans-65.2-51.3175.1-176.6-167.263.7-168.26.4111.7W74 T78 L218 N222 G223 I224 W232W74-R220 VanDerWaalsContact CE2-NH2 3.28Å; T78-R220 VanDerWaalsContact CG2-NH1 3.29Å; T78-R220 PolarHBondContact OG1-NH1 3.19Å; T78-R220 PolarHBondContact OG1-NH2 2.91Å; T78-R220 VanDerWaalsContact OG1-NH2 3.11Å; L218-R220 VanDerWaalsContact C-N 3.32Å; L218-R220 PolarHBondContact O-N 3.05Å; R220-N222 PolarHBondContact O-N 2.81Å; R220-G223 WeakPolarHBondContact O-CA 3.35Å; R220-G223 PolarHBondContact O-N 3.41Å; R220-I224 HydrophobicContact CG-CD1 4.23Å; R220-I224 PolarHBondContact O-N 2.98Å; R220-W232 HydrophobicContact CB-CD2 4.09Å; R220-W232 HydrophobicContact CB-CE3 4.49Å; R220-W232 HydrophobicContact CB-CG 4.48Å; R220-W232 HydrophobicContact CB-CZ2 4.22Å
221D95.9Very high93.8Very high7 Ų740.4 Ų40.44%0.03723%0.234CC..Hα-helixtrans-59.1-36179-60.2-106.2000111W49 W77 R177 L218 I224 V225W49-D221 HydrophobicContact CZ2-CB 4.05Å; W49-D221 VanDerWaalsContact CZ2-OD1 3.27Å; W49-D221 WeakPolarHBondContact CZ2-OD1 3.38Å; W77-D221 HydrophobicContact CE3-CB 4.35Å; W77-D221 HydrophobicContact CZ3-CB 4.15Å; R177-D221 IonicContact CZ-OD1 2.59Å; R177-D221 IonicContact NE-OD1 3.85Å; R177-D221 IonicContact NH2-OD1 3.92Å; R177-D221 PolarHBondContact NH2-OD1 3Å; L218-D221 PolarHBondContact O-N 3.19Å; D221-I224 PolarHBondContact O-N 3.11Å; D221-V225 VanDerWaalsContact O-CG2 3.26Å; D221-V225 WeakPolarHBondContact O-CG2 3.25Å; D221-V225 PolarHBondContact O-N 2.83Å
222N96.6Very high93.9Very high7 Ų747.3 Ų47.34%0.03726%0.26CS..Hα-helixtrans-62.4-43.9173.6-63-10.8000111.8R211 L218 A219 R220 I224 V225 L226 V233 V241R211-N222 PolarHBondContact NH2-OD1 2.92Å; L218-N222 WeakPolarHBondContact O-CB 3.12Å; L218-N222 PolarHBondContact O-N 3.29Å; L218-N222 PolarHBondContact O-ND2 3.05Å; L218-N222 PolarHBondContact O-OD1 3.02Å; L218-N222 VanDerWaalsContact O-OD1 3.06Å; A219-N222 WeakPolarHBondContact O-CB 3.25Å; A219-N222 PolarHBondContact O-N 2.83Å; R220-N222 PolarHBondContact O-N 2.81Å; N222-I224 VanDerWaalsContact C-N 3.35Å; N222-I224 PolarHBondContact O-N 3.1Å; N222-V225 PolarHBondContact O-N 2.98Å; N222-L226 WeakPolarHBondContact O-CB 3.37Å; N222-L226 WeakPolarHBondContact O-CG 3.42Å; N222-L226 PolarHBondContact O-N 2.88Å; N222-V233 HydrophobicContact CB-CB 3.92Å; N222-V233 HydrophobicContact CB-CG1 4.48Å; N222-V233 WeakPolarHBondContact CB-O 3.18Å; N222-V233 PolarHBondContact ND2-O 2.77Å; N222-V241 HydrophobicContact CB-CG2 4.06Å
223G96.9Very high94.1Very high1 Ų144.3 Ų44.31%0.0125%0.247CC..Hα-helixtrans-59.9-44.3175.900000112.7A219 R220 L226 G227 T228 T231A219-G223 PolarHBondContact O-N 2.91Å; A219-G223 VanDerWaalsContact O-N 3.11Å; R220-G223 WeakPolarHBondContact O-CA 3.35Å; R220-G223 PolarHBondContact O-N 3.41Å; G223-L226 CarbonylContact O-C 3.5Å; G223-L226 PolarHBondContact O-N 3.33Å; G223-G227 PolarHBondContact O-N 3.33Å; G223-T228 WeakPolarHBondContact CA-OG1 3.41Å; G223-T228 PolarHBondContact O-N 3.3Å; G223-T228 PolarHBondContact O-OG1 3.27Å; G223-T231 VanDerWaalsContact CA-O 3.31Å; G223-T231 WeakPolarHBondContact CA-O 3.46Å
224I96.9Very high94.2Very high3 Ų345.9 Ų45.92%0.01525%0.254CS..Hα-helixtrans-64.1-42.5177.6-65.1169.6000111.4W77 S84 A85 L88 R220 D221 N222 L226 G227W77-I224 HydrophobicContact CB-CD1 3.84Å; W77-I224 HydrophobicContact CD2-CD1 4.03Å; W77-I224 HydrophobicContact CD2-CG2 3.81Å; W77-I224 HydrophobicContact CE3-CB 4.08Å; W77-I224 HydrophobicContact CE3-CD1 3.8Å; W77-I224 HydrophobicContact CE3-CG2 3.78Å; W77-I224 HydrophobicContact CG-CD1 4.1Å; W77-I224 HydrophobicContact CH2-CG2 3.86Å; W77-I224 HydrophobicContact CZ2-CG2 3.94Å; W77-I224 HydrophobicContact CZ3-CB 4.06Å; W77-I224 HydrophobicContact CZ3-CG2 3.78Å; W77-I224 WeakPolarHBondContact O-CD1 3.31Å; S84-I224 WeakPolarHBondContact CA-O 2.98Å; A85-I224 HydrophobicContact CB-CG2 4.47Å; A85-I224 PolarHBondContact N-O 3.41Å; A85-I224 VanDerWaalsContact N-O 3.16Å; L88-I224 HydrophobicContact CD1-CG2 4.27Å; R220-I224 HydrophobicContact CG-CD1 4.23Å; R220-I224 PolarHBondContact O-N 2.98Å; D221-I224 PolarHBondContact O-N 3.11Å; N222-I224 VanDerWaalsContact C-N 3.35Å; N222-I224 PolarHBondContact O-N 3.1Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 2.87Å; I224-G227 PolarHBondContact O-N 2.69Å
225V96.6Very high94.3Very high23 Ų2349.2 Ų49.214%0.13928%0.283CS..Hα-helixtrans-63.9-38176.21710000111.5W77 F179 D221 N222 G227 V241 E244W77-V225 HydrophobicContact CH2-CG2 3.91Å; W77-V225 HydrophobicContact CZ3-CG2 4.15Å; F179-V225 HydrophobicContact CE1-CG1 4.21Å; F179-V225 HydrophobicContact CE1-CG2 4.07Å; F179-V225 HydrophobicContact CE2-CG2 4.3Å; F179-V225 HydrophobicContact CZ-CG1 4.42Å; F179-V225 HydrophobicContact CZ-CG2 3.46Å; F179-V225 VanDerWaalsContact CZ-CG2 3.46Å; D221-V225 VanDerWaalsContact O-CG2 3.26Å; D221-V225 WeakPolarHBondContact O-CG2 3.25Å; D221-V225 PolarHBondContact O-N 2.83Å; N222-V225 PolarHBondContact O-N 2.98Å; V225-G227 VanDerWaalsContact C-N 3.34Å; V225-V241 HydrophobicContact CG1-CG1 4.33Å; V225-E244 HydrophobicContact CG1-CB 4.11Å; V225-E244 HydrophobicContact CG1-CG 4.04Å
226L96.1Very high94.4Very high40 Ų4049 Ų4921%0.20928%0.278CS..Hα-helixtrans-85.6-5.3-180-64.3175.1000113.6N222 G223 I224 T228 V233 R240 V241N222-L226 WeakPolarHBondContact O-CB 3.37Å; N222-L226 WeakPolarHBondContact O-CG 3.42Å; N222-L226 PolarHBondContact O-N 2.88Å; G223-L226 CarbonylContact O-C 3.5Å; G223-L226 PolarHBondContact O-N 3.33Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 2.87Å; L226-T228 HydrophobicContact CB-CG2 3.82Å; L226-V233 HydrophobicContact CD1-CB 4.34Å; L226-V233 HydrophobicContact CD1-CG1 3.91Å; L226-V233 HydrophobicContact CD1-CG2 4.25Å; L226-R240 HydrophobicContact CD2-CB 3.48Å; L226-R240 VanDerWaalsContact CD2-CB 3.48Å; L226-V241 HydrophobicContact CD1-CG2 3.75Å; L226-V241 HydrophobicContact CD2-CG2 3.91Å; L226-V241 HydrophobicContact CG-CG2 3.74Å
227G94.9Very high94.4Very high44 Ų4447.7 Ų47.745%0.45429%0.285SS..THydrogen-bonded Turntrans6535.7-179.300000113.6G223 I224 V225 N229G223-G227 PolarHBondContact O-N 3.33Å; I224-G227 PolarHBondContact O-N 2.69Å; V225-G227 VanDerWaalsContact C-N 3.34Å; G227-N229 PolarHBondContact O-N 2.98Å
228T94.1Very high94.4Very high38 Ų3846.3 Ų46.323%0.23328%0.277CS..  trans-85.223.4-174.656.60000114.1G223 L226 G230 T231 V233G223-T228 WeakPolarHBondContact CA-OG1 3.41Å; G223-T228 PolarHBondContact O-N 3.3Å; G223-T228 PolarHBondContact O-OG1 3.27Å; L226-T228 HydrophobicContact CB-CG2 3.82Å; T228-G230 PolarHBondContact O-N 2.66Å; T228-T231 VanDerWaalsContact O-CB 3.28Å; T228-T231 WeakPolarHBondContact O-CB 3.5Å; T228-T231 PolarHBondContact O-N 3.05Å; T228-T231 VanDerWaalsContact O-N 3.13Å; T228-T231 PolarHBondContact O-OG1 3.05Å; T228-T231 PolarHBondContact OG1-O 3.06Å; T228-V233 HydrophobicContact CG2-CG2 4.11Å
229N92.6Very high94.5Very high118 Ų11847.1 Ų47.163%0.63128%0.281SS*.THydrogen-bonded Turntrans45.565.5177.5-164.831000112.3Q82 G227 T231Q82-N229 PolarHBondContact O-OD1 3.05Å; Q82-N229 PolarHBondContact OE1-O 3.02Å; Q82-N229 PolarHBondContact OE1-OD1 3.07Å; G227-N229 PolarHBondContact O-N 2.98Å; N229-T231 PolarHBondContact O-N 2.94Å; N229-T231 VanDerWaalsContact O-N 3.12Å
230G88.7Confident94.5Very high20 Ų2053.2 Ų53.221%0.20630%0.304CS..THydrogen-bonded Turntrans75.7-6177.500000116.6S81 Q82 T228S81-G230 WeakPolarHBondContact O-CA 3.43Å; Q82-G230 VanDerWaalsContact OE1-CA 3.26Å; T228-G230 PolarHBondContact O-N 2.66Å
231T93.9Very high94.5Very high87 Ų8751.8 Ų51.853%0.53430%0.299SS..  trans-70.4131.9176.6-53.50000111.2G223 T228 N229G223-T231 VanDerWaalsContact CA-O 3.31Å; G223-T231 WeakPolarHBondContact CA-O 3.46Å; T228-T231 VanDerWaalsContact O-CB 3.28Å; T228-T231 WeakPolarHBondContact O-CB 3.5Å; T228-T231 PolarHBondContact O-N 3.05Å; T228-T231 VanDerWaalsContact O-N 3.13Å; T228-T231 PolarHBondContact O-OG1 3.05Å; T228-T231 PolarHBondContact OG1-O 3.06Å; N229-T231 PolarHBondContact O-N 2.94Å; N229-T231 VanDerWaalsContact O-N 3.12Å
232W94.7Very high94.5Very high163 Ų16351.6 Ų51.662%0.61730%0.298SS*.  trans-81.4131.3177.6-69.139.9000110.2A219 R220A219-W232 HydrophobicContact CB-CB 4.06Å; A219-W232 HydrophobicContact CB-CE3 3.91Å; R220-W232 HydrophobicContact CB-CD2 4.09Å; R220-W232 HydrophobicContact CB-CE3 4.49Å; R220-W232 HydrophobicContact CB-CG 4.48Å; R220-W232 HydrophobicContact CB-CZ2 4.22Å
233V95.4Very high94.6Very high17 Ų1755 Ų5510%0.10331%0.31CS..  trans-11892.7-175.6-176.70000110.4A219 N222 L226 T228 A235A219-V233 WeakPolarHBondContact CA-O 3.22Å; A219-V233 PolarHBondContact O-N 2.94Å; N222-V233 HydrophobicContact CB-CB 3.92Å; N222-V233 HydrophobicContact CB-CG1 4.48Å; N222-V233 WeakPolarHBondContact CB-O 3.18Å; N222-V233 PolarHBondContact ND2-O 2.77Å; L226-V233 HydrophobicContact CD1-CB 4.34Å; L226-V233 HydrophobicContact CD1-CG1 3.91Å; L226-V233 HydrophobicContact CD1-CG2 4.25Å; T228-V233 HydrophobicContact CG2-CG2 4.11Å; V233-A235 WeakPolarHBondContact CG1-O 3.39Å
234E92.5Very high94.6Very high102 Ų10256.8 Ų56.848%0.47732%0.319SS..  trans-76.8-44.9174.8-70.1-165.8-168.700112.3A219A219-E234 HydrophobicContact CB-CG 3.55Å
235A91.6Very high94.6Very high79 Ų7956.9 Ų56.965%0.65332%0.319SS*.  trans-102.9128.6-179.100000111.2V233V233-A235 WeakPolarHBondContact CG1-O 3.39Å
236D92.3Very high94.6Very high26 Ų2656 Ų5614%0.13931%0.314CS..  trans-132.370.8176.8179.429.6000109.6G238 L239 R240 V241D236-G238 PolarHBondContact O-N 3.26Å; D236-L239 PolarHBondContact O-N 2.92Å; D236-L239 VanDerWaalsContact OD2-C 3.24Å; D236-L239 WeakPolarHBondContact OD2-CA 3.39Å; D236-R240 VanDerWaalsContact CG-N 3.31Å; D236-R240 WeakPolarHBondContact OD1-CB 3.31Å; D236-R240 PolarHBondContact OD1-N 2.8Å; D236-R240 VanDerWaalsContact OD1-N 3.11Å; D236-R240 IonicContact OD1-NE 2.76Å; D236-R240 PolarHBondContact OD2-N 3.09Å; D236-V241 PolarHBondContact OD2-N 3Å
237P92.3Very high94.7Very high126 Ų12660 Ų6082%0.81833%0.327SS*.THydrogen-bonded Turntrans-61.5-26.5-175.725.2-34.6000112.7L239P237-L239 PolarHBondContact O-N 3.17Å
238G93.8Very high94.8Very high34 Ų3458.1 Ų58.135%0.35131%0.306SS..THydrogen-bonded Turntrans-76.7-4.2174.700000114.6D236 R240D236-G238 PolarHBondContact O-N 3.26Å; G238-R240 PolarHBondContact O-N 2.7Å
239L96.3Very high94.8Very high21 Ų2156.6 Ų56.611%0.1130%0.297CS..  trans5235.1-176.4-55.2-177000112.9L208 D236 P237 V241 V242 R243 R344 V345 L348L208-L239 HydrophobicContact CD1-CD2 3.71Å; L208-L239 HydrophobicContact CD2-CD1 4.32Å; D236-L239 PolarHBondContact O-N 2.92Å; D236-L239 VanDerWaalsContact OD2-C 3.24Å; D236-L239 WeakPolarHBondContact OD2-CA 3.39Å; P237-L239 PolarHBondContact O-N 3.17Å; L239-V241 VanDerWaalsContact C-N 3.32Å; L239-V241 PolarHBondContact O-N 3.38Å; L239-V242 HydrophobicContact CB-CB 4.3Å; L239-V242 PolarHBondContact O-N 2.9Å; L239-R243 WeakPolarHBondContact O-CB 3.48Å; L239-R243 PolarHBondContact O-N 3.04Å; L239-R344 HydrophobicContact CD1-CG 4.04Å; L239-V345 HydrophobicContact CD1-CG2 3.91Å; L239-L348 HydrophobicContact CB-CD1 3.75Å; L239-L348 HydrophobicContact CD1-CD1 4.27Å
240R96.7Very high95Very high127 Ų12752.2 Ų52.248%0.47927%0.274SS..Hα-helixtrans-61.8-39.1-178.7-63.3-175.3-66172.7-1.9111.7L226 D236 G238 R243 E244L226-R240 HydrophobicContact CD2-CB 3.48Å; L226-R240 VanDerWaalsContact CD2-CB 3.48Å; D236-R240 VanDerWaalsContact CG-N 3.31Å; D236-R240 WeakPolarHBondContact OD1-CB 3.31Å; D236-R240 PolarHBondContact OD1-N 2.8Å; D236-R240 VanDerWaalsContact OD1-N 3.11Å; D236-R240 IonicContact OD1-NE 2.76Å; D236-R240 PolarHBondContact OD2-N 3.09Å; G238-R240 PolarHBondContact O-N 2.7Å; R240-R243 WeakPolarHBondContact O-CB 3.26Å; R240-R243 PolarHBondContact O-N 2.96Å; R240-E244 PolarHBondContact O-N 3.11Å
241V96.1Very high95.3Very high4 Ų456.3 Ų56.32%0.02428%0.283CS..Hα-helixtrans-68.4-42.3177.6-179.30000110.9N222 V225 L226 D236 L239 R243 E244 V245N222-V241 HydrophobicContact CB-CG2 4.06Å; V225-V241 HydrophobicContact CG1-CG1 4.33Å; L226-V241 HydrophobicContact CD1-CG2 3.75Å; L226-V241 HydrophobicContact CD2-CG2 3.91Å; L226-V241 HydrophobicContact CG-CG2 3.74Å; D236-V241 PolarHBondContact OD2-N 3Å; L239-V241 VanDerWaalsContact C-N 3.32Å; L239-V241 PolarHBondContact O-N 3.38Å; V241-R243 VanDerWaalsContact C-N 3.31Å; V241-R243 PolarHBondContact O-N 3.37Å; V241-E244 PolarHBondContact O-N 3.06Å; V241-V245 WeakPolarHBondContact O-CG2 3.02Å; V241-V245 PolarHBondContact O-N 3.13Å
242V96.8Very high95.4Very high4 Ų452.2 Ų52.22%0.02426%0.258CS..Hα-helixtrans-63.8-40.7177175.70000110.6L208 L239 E244 V245 C246L208-V242 HydrophobicContact CD1-CG2 4.09Å; L239-V242 HydrophobicContact CB-CB 4.3Å; L239-V242 PolarHBondContact O-N 2.9Å; V242-E244 VanDerWaalsContact C-N 3.31Å; V242-E244 PolarHBondContact O-N 3.04Å; V242-V245 PolarHBondContact O-N 3.42Å; V242-C246 PolarHBondContact O-N 3.23Å; V242-C246 PolarHBondContact O-SG 3.07Å
243R97.6Very high95.4Very high77 Ų7744.6 Ų44.629%0.29123%0.229SC..Hα-helixtrans-56.7-45.3172.5-175.2-169.4-59.1-170.5-1.8111.5L239 R240 V241 C246 R247 L348L239-R243 WeakPolarHBondContact O-CB 3.48Å; L239-R243 PolarHBondContact O-N 3.04Å; R240-R243 WeakPolarHBondContact O-CB 3.26Å; R240-R243 PolarHBondContact O-N 2.96Å; V241-R243 VanDerWaalsContact C-N 3.31Å; V241-R243 PolarHBondContact O-N 3.37Å; R243-C246 PolarHBondContact O-N 3.46Å; R243-R247 WeakPolarHBondContact O-CG 3.38Å; R243-R247 PolarHBondContact O-N 3.17Å; R243-L348 VanDerWaalsContact NH2-CD2 3.28Å
244E97.2Very high95.3Very high40 Ų4047.6 Ų47.619%0.18724%0.242CC..Hα-helixtrans-68.9-36.2179-169.855.2-151.200112.6F179 V225 R240 V241 V242 C246 R247 S248 R251F179-E244 HydrophobicContact CD1-CG 4.06Å; F179-E244 HydrophobicContact CE1-CG 4.19Å; V225-E244 HydrophobicContact CG1-CB 4.11Å; V225-E244 HydrophobicContact CG1-CG 4.04Å; R240-E244 PolarHBondContact O-N 3.11Å; V241-E244 PolarHBondContact O-N 3.06Å; V242-E244 VanDerWaalsContact C-N 3.31Å; V242-E244 PolarHBondContact O-N 3.04Å; E244-C246 VanDerWaalsContact C-N 3.35Å; E244-C246 PolarHBondContact O-N 2.9Å; E244-R247 PolarHBondContact O-N 3.04Å; E244-S248 VanDerWaalsContact O-CB 3.29Å; E244-S248 WeakPolarHBondContact O-CB 3.24Å; E244-S248 PolarHBondContact O-N 3.03Å; E244-R251 IonicContact OE1-CZ 3.31Å; E244-R251 IonicContact OE1-NH1 3.72Å; E244-R251 PolarHBondContact OE1-NH1 3.07Å
245V96Very high95.4Very high4 Ų443.6 Ų43.62%0.02423%0.227CC..Hα-helixtrans-58.5-46.9171.51680000111S48 V207 V241 V242 S248 H249S48-V245 VanDerWaalsContact OG-CG1 3.32Å; S48-V245 WeakPolarHBondContact OG-CG1 3.4Å; V207-V245 HydrophobicContact CG1-CG1 4.46Å; V241-V245 WeakPolarHBondContact O-CG2 3.02Å; V241-V245 PolarHBondContact O-N 3.13Å; V242-V245 PolarHBondContact O-N 3.42Å; V245-S248 PolarHBondContact O-N 3.2Å; V245-H249 PolarHBondContact O-CD2 2.98Å; V245-H249 VanDerWaalsContact O-CD2 3.27Å; V245-H249 PolarHBondContact O-N 2.9Å
246C97.6Very high95.5Very high5 Ų540 Ų403%0.03420%0.197CC..Hα-helixtrans-63.1-44.9177.3-65.60000112P204 V242 R243 E244 S248 H249 V250 C349 A352P204-C246 WeakPolarHBondContact CB-SG 3.44Å; V242-C246 PolarHBondContact O-N 3.23Å; V242-C246 PolarHBondContact O-SG 3.07Å; R243-C246 PolarHBondContact O-N 3.46Å; E244-C246 VanDerWaalsContact C-N 3.35Å; E244-C246 PolarHBondContact O-N 2.9Å; C246-S248 VanDerWaalsContact C-N 3.35Å; C246-S248 PolarHBondContact O-N 3.23Å; C246-H249 PolarHBondContact O-N 3.1Å; C246-V250 WeakPolarHBondContact O-CG2 3.2Å; C246-V250 PolarHBondContact O-N 2.59Å; C246-V250 VanDerWaalsContact O-N 3.09Å; C246-C349 HydrophobicContact CB-CB 3.71Å; C246-C349 WeakPolarHBondContact CB-SG 3.26Å; C246-C349 WeakPolarHBondContact SG-CB 3.49Å; C246-C349 CovalentContact SG-SG 2.03Å; C246-C349 PolarHBondContact SG-SG 3.04Å; C246-A352 HydrophobicContact CB-CB 3.9Å
247R97.3Very high95.2Very high125 Ų12540.8 Ų40.847%0.47220%0.203SC..Hα-helixtrans-60.2-43.7176.2-76.2174.7170.1-176.5-6.6112.1R243 E244 V250 R251R243-R247 WeakPolarHBondContact O-CG 3.38Å; R243-R247 PolarHBondContact O-N 3.17Å; E244-R247 PolarHBondContact O-N 3.04Å; R247-V250 PolarHBondContact O-N 3.28Å; R247-R251 WeakPolarHBondContact O-CB 3.35Å; R247-R251 VanDerWaalsContact O-CG 3.28Å; R247-R251 WeakPolarHBondContact O-CG 3.4Å; R247-R251 PolarHBondContact O-N 2.93Å
248S96.7Very high95Very high4 Ų440.6 Ų40.63%0.02819%0.194CC..Hα-helixtrans-59-49.8176.7170.70000111.7F179 E244 V245 C246 V250 R251 I252F179-S248 VanDerWaalsContact CA-OG 3.29Å; F179-S248 WeakPolarHBondContact CA-OG 3.25Å; F179-S248 PolarHBondContact O-OG 3.4Å; E244-S248 VanDerWaalsContact O-CB 3.29Å; E244-S248 WeakPolarHBondContact O-CB 3.24Å; E244-S248 PolarHBondContact O-N 3.03Å; V245-S248 PolarHBondContact O-N 3.2Å; C246-S248 VanDerWaalsContact C-N 3.35Å; C246-S248 PolarHBondContact O-N 3.23Å; S248-V250 VanDerWaalsContact C-N 3.32Å; S248-V250 PolarHBondContact O-N 3.08Å; S248-R251 PolarHBondContact O-N 3.5Å; S248-I252 WeakPolarHBondContact O-CB 3.21Å; S248-I252 VanDerWaalsContact O-CG1 3.29Å; S248-I252 WeakPolarHBondContact O-CG1 3.46Å; S248-I252 PolarHBondContact O-N 2.73Å; S248-I252 WeakPolarHBondContact OG-CD1 3.25Å
249H95.4Very high94.4Very high6 Ų648 Ų483%0.02822%0.217CC..Hα-helixtrans-61.1-40.5178.9-74.3-50000112.8S48 H199 V201 V245 C246 A253 L356S48-H249 PolarHBondContact OG-CE1 2.83Å; S48-H249 PolarHBondContact OG-NE2 2.93Å; H199-H249 AromaticContact CE1-ND1 3.78Å; H199-H249 AromaticContact NE2-CE1 3.76Å; H199-H249 AromaticContact NE2-ND1 3.02Å; H199-H249 PolarHBondContact NE2-ND1 3.33Å; V201-H249 HydrophobicContact CG1-CB 4.42Å; V245-H249 PolarHBondContact O-CD2 2.98Å; V245-H249 VanDerWaalsContact O-CD2 3.27Å; V245-H249 PolarHBondContact O-N 2.9Å; C246-H249 PolarHBondContact O-N 3.1Å; H249-A253 WeakPolarHBondContact O-CB 3.47Å; H249-A253 PolarHBondContact O-N 3.43Å; H249-L356 HydrophobicContact CB-CD1 4.19Å
250V95.6Very high94Very high25 Ų2548.5 Ų48.515%0.15222%0.222CC..Hα-helixtrans-61.3-54.3173.9171.50000110.6C246 R247 S248 I252 A253 E254 A352 L355C246-V250 WeakPolarHBondContact O-CG2 3.2Å; C246-V250 PolarHBondContact O-N 2.59Å; C246-V250 VanDerWaalsContact O-N 3.09Å; R247-V250 PolarHBondContact O-N 3.28Å; S248-V250 VanDerWaalsContact C-N 3.32Å; S248-V250 PolarHBondContact O-N 3.08Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 3.13Å; V250-A253 PolarHBondContact O-N 2.95Å; V250-E254 HydrophobicContact CG1-CG 4.13Å; V250-E254 WeakPolarHBondContact O-CB 3.5Å; V250-E254 WeakPolarHBondContact O-CG 3.41Å; V250-E254 PolarHBondContact O-N 3.31Å; V250-A352 VanDerWaalsContact CG2-CA 3.49Å; V250-A352 HydrophobicContact CG2-CB 3.76Å; V250-L355 HydrophobicContact CB-CD2 4.34Å; V250-L355 HydrophobicContact CG1-CD2 4.15Å; V250-L355 HydrophobicContact CG2-CD2 4.31Å
251R95.6Very high93.8Very high106 Ų10643.6 Ų43.640%0.421%0.206SC..Hα-helixtrans-55.8-46.1-179.5-72.7175.3-169.7146.61.7112.4E244 R247 S248 A255E244-R251 IonicContact OE1-CZ 3.31Å; E244-R251 IonicContact OE1-NH1 3.72Å; E244-R251 PolarHBondContact OE1-NH1 3.07Å; R247-R251 WeakPolarHBondContact O-CB 3.35Å; R247-R251 VanDerWaalsContact O-CG 3.28Å; R247-R251 WeakPolarHBondContact O-CG 3.4Å; R247-R251 PolarHBondContact O-N 2.93Å; S248-R251 PolarHBondContact O-N 3.5Å; R251-A255 WeakPolarHBondContact O-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.36Å
252I96.4Very high93.6Very high2 Ų248.8 Ų48.81%0.0124%0.24CC..Hα-helixtrans-65.9-46.5179.8-66.5164.9000110.4L46 L181 H199 S248 V250 A256 Y268L46-I252 HydrophobicContact CD2-CD1 4.17Å; L46-I252 HydrophobicContact CD2-CG2 3.97Å; L181-I252 HydrophobicContact CB-CG1 4.43Å; L181-I252 HydrophobicContact CB-CG2 4.21Å; L181-I252 HydrophobicContact CD1-CG2 4.41Å; H199-I252 WeakPolarHBondContact CE1-CG2 3.41Å; H199-I252 VanDerWaalsContact ND1-CG2 3.34Å; H199-I252 WeakPolarHBondContact ND1-CG2 3.41Å; S248-I252 WeakPolarHBondContact O-CB 3.21Å; S248-I252 VanDerWaalsContact O-CG1 3.29Å; S248-I252 WeakPolarHBondContact O-CG1 3.46Å; S248-I252 PolarHBondContact O-N 2.73Å; S248-I252 WeakPolarHBondContact OG-CD1 3.25Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 3.13Å; I252-A256 WeakPolarHBondContact O-CB 3.29Å; I252-A256 PolarHBondContact O-N 3.4Å; I252-A256 VanDerWaalsContact O-N 3.12Å; I252-Y268 HydrophobicContact CG2-CE2 4.29Å
253A93.8Very high93.4Very high2 Ų251.5 Ų51.52%0.01725%0.251CS..Hα-helixtrans-65.6-44.8-178.800000111.9H249 V250 A256 T257 L270 L355 L356H249-A253 WeakPolarHBondContact O-CB 3.47Å; H249-A253 PolarHBondContact O-N 3.43Å; V250-A253 PolarHBondContact O-N 2.95Å; A253-A256 PolarHBondContact O-N 2.91Å; A253-A256 VanDerWaalsContact O-N 3.16Å; A253-T257 WeakPolarHBondContact O-CB 3.46Å; A253-T257 WeakPolarHBondContact O-CG2 3.29Å; A253-T257 PolarHBondContact O-N 3.26Å; A253-T257 PolarHBondContact O-OG1 3.22Å; A253-L270 HydrophobicContact CB-CD1 3.97Å; A253-L355 HydrophobicContact CB-CD2 3.79Å; A253-L356 HydrophobicContact CB-CD2 4.33Å
254E93.7Very high93.2Very high80 Ų8047.9 Ų47.937%0.37424%0.238SC..Hα-helixtrans-62.5-46.2177.3-72.6179.5158.200111.8V250 A256 T257 L258 L355V250-E254 HydrophobicContact CG1-CG 4.13Å; V250-E254 WeakPolarHBondContact O-CB 3.5Å; V250-E254 WeakPolarHBondContact O-CG 3.41Å; V250-E254 PolarHBondContact O-N 3.31Å; E254-A256 PolarHBondContact O-N 2.89Å; E254-T257 PolarHBondContact O-N 2.91Å; E254-T257 VanDerWaalsContact O-N 3.13Å; E254-L258 HydrophobicContact CB-CD1 3.95Å; E254-L258 HydrophobicContact CB-CG 4.35Å; E254-L258 HydrophobicContact CG-CD1 3.82Å; E254-L258 HydrophobicContact CG-CG 4.43Å; E254-L258 PolarHBondContact O-N 2.97Å; E254-L355 HydrophobicContact CG-CD2 3.88Å
255A94.2Very high92.9Very high19 Ų1953.4 Ų53.416%0.15726%0.257CS..Hα-helixtrans-59.8-27.2176.100000112.7L181 R251L181-A255 HydrophobicContact CB-CB 4.13Å; L181-A255 HydrophobicContact CD2-CB 4.02Å; R251-A255 WeakPolarHBondContact O-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.36Å
256A93.3Very high92.8Very high2 Ų255 Ų552%0.01728%0.275CS..Hα-helixtrans-90.2-18.1178.200000114.8L181 I252 A253 E254 P260 L264 Y268L181-A256 HydrophobicContact CD2-CB 3.85Å; I252-A256 WeakPolarHBondContact O-CB 3.29Å; I252-A256 PolarHBondContact O-N 3.4Å; I252-A256 VanDerWaalsContact O-N 3.12Å; A253-A256 PolarHBondContact O-N 2.91Å; A253-A256 VanDerWaalsContact O-N 3.16Å; E254-A256 PolarHBondContact O-N 2.89Å; A256-P260 WeakPolarHBondContact O-CB 3.21Å; A256-L264 HydrophobicContact CB-CD2 3.82Å; A256-Y268 HydrophobicContact CB-CD1 3.65Å; A256-Y268 HydrophobicContact CB-CD2 3.97Å; A256-Y268 HydrophobicContact CB-CE1 3.35Å; A256-Y268 HydrophobicContact CB-CE2 3.68Å; A256-Y268 HydrophobicContact CB-CG 3.94Å
257T87.4Confident92.7Very high43 Ų4356.9 Ų56.926%0.26428%0.281SS..Hα-helixtrans-124.3-36.4-167.457.20000114.4A253 E254A253-T257 WeakPolarHBondContact O-CB 3.46Å; A253-T257 WeakPolarHBondContact O-CG2 3.29Å; A253-T257 PolarHBondContact O-N 3.26Å; A253-T257 PolarHBondContact O-OG1 3.22Å; E254-T257 PolarHBondContact O-N 2.91Å; E254-T257 VanDerWaalsContact O-N 3.13Å
258L86.8Confident92.7Very high122 Ų12252 Ų5264%0.63926%0.263SS*.THydrogen-bonded Turntrans-80.3-45.5-175.7-65.4-177.7000112.4E254E254-L258 HydrophobicContact CB-CD1 3.95Å; E254-L258 HydrophobicContact CB-CG 4.35Å; E254-L258 HydrophobicContact CG-CD1 3.82Å; E254-L258 HydrophobicContact CG-CG 4.43Å; E254-L258 PolarHBondContact O-N 2.97Å
259K81.4Confident92.6Very high189 Ų18954.4 Ų54.482%0.82227%0.271SS*.SBendtrans-140.863.9177.7-65.7-175.4-178.6179.20110
260P88.8Confident92.6Very high33 Ų3356.4 Ų56.421%0.21428%0.282CS..  trans-63.1130.9-176.723.9-31.3000110.4A256 L264 F383 W385A256-P260 WeakPolarHBondContact O-CB 3.21Å; P260-L264 HydrophobicContact CB-CD2 4.25Å; P260-F383 HydrophobicContact CG-CE1 4.23Å; P260-F383 HydrophobicContact CG-CZ 3.97Å; P260-W385 HydrophobicContact CB-CZ2 4.46Å; P260-W385 HydrophobicContact CG-CH2 4.39Å; P260-W385 HydrophobicContact CG-CZ2 3.93Å
261P92.3Very high92.6Very high23 Ų2355.3 Ų55.315%0.14928%0.275CS..  trans-57147.8168.9-2332.9000110.9Y185 F263 L264Y185-P261 HydrophobicContact CE1-CG 4.22Å; Y185-P261 HydrophobicContact CE2-CG 3.96Å; Y185-P261 WeakPolarHBondContact OH-CG 3.5Å; P261-F263 HydrophobicContact CB-CD1 3.74Å; P261-F263 HydrophobicContact CB-CD2 4.17Å; P261-F263 HydrophobicContact CB-CE1 3.31Å; P261-F263 HydrophobicContact CB-CE2 3.77Å; P261-F263 HydrophobicContact CB-CG 4.14Å; P261-F263 HydrophobicContact CB-CZ 3.32Å; P261-F263 HydrophobicContact CG-CE1 4.04Å; P261-F263 HydrophobicContact CG-CE2 4.07Å; P261-F263 HydrophobicContact CG-CZ 3.59Å; P261-F263 PolarHBondContact O-N 2.91Å; P261-F263 VanDerWaalsContact O-N 3.14Å; P261-L264 WeakPolarHBondContact O-CB 3.28Å; P261-L264 PolarHBondContact O-N 3.37Å
262P92.5Very high92.6Very high114 Ų11450.8 Ų50.874%0.7426%0.258SS*.G310 helixtrans-54.7-38.1-177.8-2835.1000113.4L264 R265P262-L264 PolarHBondContact O-N 3.26Å; P262-R265 VanDerWaalsContact O-CB 3.26Å; P262-R265 WeakPolarHBondContact O-CB 3.43Å; P262-R265 PolarHBondContact O-N 3.38Å
263F92.1Very high92.6Very high60 Ų6051.4 Ų51.426%0.26326%0.261SS..G310 helixtrans-62.6-22.4178.563.3-112.6000112.6Y185 L188 P261 R265 R267Y185-F263 AromaticContact CD1-CE2 3.76Å; Y185-F263 HydrophobicContact CD1-CE2 3.76Å; Y185-F263 AromaticContact CD1-CZ 3.69Å; Y185-F263 HydrophobicContact CD1-CZ 3.69Å; Y185-F263 AromaticContact CD2-CZ 3.79Å; Y185-F263 HydrophobicContact CD2-CZ 3.79Å; Y185-F263 HydrophobicContact CE1-CE2 4.1Å; Y185-F263 HydrophobicContact CE1-CZ 4.04Å; Y185-F263 HydrophobicContact CE2-CZ 4.14Å; Y185-F263 HydrophobicContact CG-CE2 4.07Å; Y185-F263 AromaticContact CG-CZ 3.55Å; Y185-F263 HydrophobicContact CG-CZ 3.55Å; L188-F263 HydrophobicContact CB-CD2 3.79Å; L188-F263 HydrophobicContact CB-CE2 3.93Å; L188-F263 HydrophobicContact CD1-CD2 4.33Å; L188-F263 HydrophobicContact CD1-CE2 3.95Å; P261-F263 HydrophobicContact CB-CD1 3.74Å; P261-F263 HydrophobicContact CB-CD2 4.17Å; P261-F263 HydrophobicContact CB-CE1 3.31Å; P261-F263 HydrophobicContact CB-CE2 3.77Å; P261-F263 HydrophobicContact CB-CG 4.14Å; P261-F263 HydrophobicContact CB-CZ 3.32Å; P261-F263 HydrophobicContact CG-CE1 4.04Å; P261-F263 HydrophobicContact CG-CE2 4.07Å; P261-F263 HydrophobicContact CG-CZ 3.59Å; P261-F263 PolarHBondContact O-N 2.91Å; P261-F263 VanDerWaalsContact O-N 3.14Å; F263-R265 VanDerWaalsContact C-N 3.31Å; F263-R265 PolarHBondContact O-N 3.09Å; F263-R267 PolarHBondContact O-NE 2.74Å; F263-R267 PolarHBondContact O-NH2 2.97Å
264L93.8Very high92.7Very high2 Ų251.9 Ų51.91%0.0126%0.263CS..G310 helixtrans-79.7-15.9-179.2-163.169.8000112.9L181 L188 A256 P260 P261 P262 G266 R267 Y268L181-L264 HydrophobicContact CD2-CD1 4.48Å; L181-L264 HydrophobicContact CD2-CD2 3.89Å; L188-L264 HydrophobicContact CD1-CD1 3.6Å; L188-L264 HydrophobicContact CD2-CD1 4.21Å; A256-L264 HydrophobicContact CB-CD2 3.82Å; P260-L264 HydrophobicContact CB-CD2 4.25Å; P261-L264 WeakPolarHBondContact O-CB 3.28Å; P261-L264 PolarHBondContact O-N 3.37Å; P262-L264 PolarHBondContact O-N 3.26Å; L264-G266 PolarHBondContact O-N 3.37Å; L264-R267 PolarHBondContact O-N 3.37Å; L264-Y268 HydrophobicContact CD2-CG 4.47Å
265R91.1Very high92.8Very high155 Ų15549 Ų4959%0.58525%0.25SC*.THydrogen-bonded Turntrans-55.5127.1-178-178.7172.1-65.71702110.7P262 F263 R267 W385P262-R265 VanDerWaalsContact O-CB 3.26Å; P262-R265 WeakPolarHBondContact O-CB 3.43Å; P262-R265 PolarHBondContact O-N 3.38Å; F263-R265 VanDerWaalsContact C-N 3.31Å; F263-R265 PolarHBondContact O-N 3.09Å; R265-R267 PolarHBondContact O-N 3.07Å; R265-R267 VanDerWaalsContact O-N 3.12Å; R265-W385 HydrophobicContact CB-CD2 4.39Å; R265-W385 HydrophobicContact CB-CZ2 4.22Å; R265-W385 HydrophobicContact CG-CD2 3.59Å; R265-W385 HydrophobicContact CG-CE3 3.66Å; R265-W385 HydrophobicContact CG-CG 4.03Å; R265-W385 HydrophobicContact CG-CH2 4.27Å; R265-W385 HydrophobicContact CG-CZ2 4.16Å; R265-W385 HydrophobicContact CG-CZ3 4.03Å
266G92.4Very high92.7Very high38 Ų3848.1 Ų48.139%0.39224%0.242SC..THydrogen-bonded Turntrans68.60.2-178.100000115.6L264 F290 W385L264-G266 PolarHBondContact O-N 3.37Å; G266-F290 WeakPolarHBondContact O-CE2 3.41Å; G266-W385 VanDerWaalsContact N-CD1 3.31Å
267R96Very high92.7Very high45 Ų4548.3 Ų48.317%0.1724%0.244CC..SBendtrans-115.39.3-175.7-63.1-163.5-59.3160-2.1113.9L188 L195 R196 I197 F263 L264 R265L188-R267 PolarHBondContact O-NH1 2.89Å; L188-R267 PolarHBondContact O-NH2 2.99Å; L195-R267 WeakPolarHBondContact O-CB 3.41Å; L195-R267 WeakPolarHBondContact O-CD 3.18Å; R196-R267 CarbonylContact C-O 3.36Å; R196-R267 WeakPolarHBondContact CA-O 3.19Å; I197-R267 PolarHBondContact N-O 3.36Å; F263-R267 PolarHBondContact O-NE 2.74Å; F263-R267 PolarHBondContact O-NH2 2.97Å; L264-R267 PolarHBondContact O-N 3.37Å; R265-R267 PolarHBondContact O-N 3.07Å; R265-R267 VanDerWaalsContact O-N 3.12Å
268Y97.1Very high92.9Very high22 Ų2251.5 Ų51.59%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-136.4135175.8175.5-83.8000111.2L181 I197 H199 I252 A256 L264 L270L181-Y268 HydrophobicContact CD1-CD2 4.5Å; I197-Y268 HydrophobicContact CB-CD2 4.01Å; I197-Y268 HydrophobicContact CG2-CD2 3.84Å; I197-Y268 HydrophobicContact CG2-CE2 4.18Å; I197-Y268 CarbonylContact O-C 3.56Å; I197-Y268 WeakPolarHBondContact O-CA 3.32Å; H199-Y268 HydrophobicContact CB-CD2 4.47Å; H199-Y268 HydrophobicContact CB-CE2 3.49Å; H199-Y268 VanDerWaalsContact CB-CE2 3.49Å; H199-Y268 WeakPolarHBondContact CB-OH 3.34Å; H199-Y268 AromaticContact ND1-CZ 3.78Å; H199-Y268 PolarHBondContact ND1-OH 2.69Å; I252-Y268 HydrophobicContact CG2-CE2 4.29Å; A256-Y268 HydrophobicContact CB-CD1 3.65Å; A256-Y268 HydrophobicContact CB-CD2 3.97Å; A256-Y268 HydrophobicContact CB-CE1 3.35Å; A256-Y268 HydrophobicContact CB-CE2 3.68Å; A256-Y268 HydrophobicContact CB-CG 3.94Å; L264-Y268 HydrophobicContact CD2-CG 4.47Å; Y268-L270 HydrophobicContact CE1-CB 3.96Å
269R95.7Very high93.2Very high55 Ų5551.2 Ų51.221%0.20825%0.247CC..EExtended strand (participates in β ladder)trans-134.6123.9173.3-175.7176.6-179.791.10.8110I197 V198 H199 V271 E283 F290I197-R269 PolarHBondContact O-N 3.12Å; V198-R269 CarbonylContact C-O 2.72Å; V198-R269 WeakPolarHBondContact CA-O 3.43Å; H199-R269 PolarHBondContact N-O 2.98Å; R269-V271 HydrophobicContact CG-CG2 4.1Å; R269-E283 IonicContact NH2-OE2 2.66Å; R269-F290 HydrophobicContact CB-CD1 3.82Å; R269-F290 HydrophobicContact CB-CD2 4.11Å; R269-F290 HydrophobicContact CB-CE1 3.67Å; R269-F290 HydrophobicContact CB-CE2 3.97Å; R269-F290 HydrophobicContact CB-CG 4.04Å; R269-F290 HydrophobicContact CB-CZ 3.75Å
270L95.5Very high93.7Very high47 Ų4742.8 Ų42.825%0.24621%0.212CC..EExtended strand (participates in β ladder)trans-87133.9170.1-176.6139.8000109.8H199 V201 A253 Y268 R272 L356H199-L270 WeakPolarHBondContact O-CA 3.31Å; V201-L270 HydrophobicContact CG1-CD1 4.15Å; V201-L270 HydrophobicContact CG1-CG 4.46Å; V201-L270 HydrophobicContact CG2-CD2 4.19Å; V201-L270 HydrophobicContact CG2-CG 4.46Å; A253-L270 HydrophobicContact CB-CD1 3.97Å; Y268-L270 HydrophobicContact CE1-CB 3.96Å; L270-R272 HydrophobicContact CD2-CG 4.31Å; L270-L356 HydrophobicContact CD1-CD2 4Å
271V95.1Very high93.9Very high3 Ų343.1 Ų43.12%0.01821%0.211CC..EExtended strand (participates in β ladder)trans-130.3131.1179.7-176.40000108.8V198 H199 L200 V201 R269 L276 L287V198-V271 HydrophobicContact CG1-CG2 4.08Å; H199-V271 PolarHBondContact O-N 2.83Å; L200-V271 WeakPolarHBondContact CA-O 3.48Å; L200-V271 HydrophobicContact CD1-CB 4.14Å; L200-V271 HydrophobicContact CD1-CG1 4.04Å; V201-V271 PolarHBondContact N-O 2.76Å; R269-V271 HydrophobicContact CG-CG2 4.1Å; V271-L276 HydrophobicContact CG1-CD1 3.48Å; V271-L276 VanDerWaalsContact CG1-CD1 3.48Å; V271-L276 HydrophobicContact CG1-CD2 4.44Å; V271-L276 HydrophobicContact CG1-CG 3.68Å; V271-L287 HydrophobicContact CG2-CD1 4.35Å
272R95.8Very high94Very high11 Ų1144.5 Ų44.54%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-91.8134.9171.3-58.3-178.2-64.8-176.75109.2V201 L270 E274 D275 L276 L356 L376V201-R272 HydrophobicContact CG2-CB 4.32Å; V201-R272 HydrophobicContact CG2-CG 3.74Å; L270-R272 HydrophobicContact CD2-CG 4.31Å; R272-E274 PolarHBondContact O-N 3.06Å; R272-D275 HydrophobicContact CB-CB 4.42Å; R272-D275 IonicContact CZ-OD1 2.79Å; R272-D275 IonicContact CZ-OD2 2.85Å; R272-D275 IonicContact NE-OD1 2.8Å; R272-D275 PolarHBondContact NE-OD1 2.92Å; R272-D275 IonicContact NE-OD2 2.67Å; R272-D275 PolarHBondContact NE-OD2 3.19Å; R272-D275 IonicContact NH2-OD1 3.95Å; R272-D275 PolarHBondContact NH2-OD1 3.27Å; R272-D275 IonicContact NH2-OD2 3.03Å; R272-D275 PolarHBondContact NH2-OD2 2.83Å; R272-D275 PolarHBondContact O-N 3.06Å; R272-L276 PolarHBondContact O-N 3.41Å; R272-L356 VanDerWaalsContact CD-O 3.23Å; R272-L356 WeakPolarHBondContact CD-O 3.4Å; R272-L356 PolarHBondContact NH1-O 3.4Å; R272-L376 PolarHBondContact NH1-O 2.91Å; R272-L376 PolarHBondContact NH2-O 3.17Å; R272-L376 VanDerWaalsContact NH2-O 3.07Å
273F96Very high94.1Very high15 Ų1540.6 Ų40.67%0.06620%0.196CC..Hα-helixtrans-57.2-34.5175.7175.1-100000111.9V201 R202 L276 A277 V329V201-F273 PolarHBondContact O-N 3.46Å; R202-F273 HydrophobicContact CB-CB 4Å; R202-F273 HydrophobicContact CG-CB 3.89Å; R202-F273 HydrophobicContact CG-CD1 4.04Å; R202-F273 HydrophobicContact CG-CG 4.21Å; F273-L276 WeakPolarHBondContact O-CB 3.33Å; F273-L276 PolarHBondContact O-N 2.72Å; F273-A277 HydrophobicContact CE1-CB 4.35Å; F273-A277 WeakPolarHBondContact O-CB 3.45Å; F273-A277 PolarHBondContact O-N 3.27Å; F273-V329 HydrophobicContact CZ-CG1 4.43Å
274E95.7Very high94.2Very high12 Ų1237.7 Ų37.76%0.05618%0.184CC..Hα-helixtrans-69.5-35.1-179-65.171-16200112.4R202 D203 R272 A277 R278 Y358 V375R202-E274 VanDerWaalsContact CG-OE1 3.23Å; R202-E274 WeakPolarHBondContact CG-OE1 3.5Å; D203-E274 WeakPolarHBondContact CB-OE1 3.2Å; D203-E274 PolarHBondContact N-OE1 3.29Å; R272-E274 PolarHBondContact O-N 3.06Å; E274-A277 PolarHBondContact O-N 3Å; E274-R278 WeakPolarHBondContact O-CB 2.98Å; E274-R278 PolarHBondContact O-N 2.94Å; E274-Y358 HydrophobicContact CG-CE1 4.25Å; E274-Y358 PolarHBondContact OE2-OH 2.98Å; E274-V375 HydrophobicContact CB-CG1 4.36Å; E274-V375 HydrophobicContact CB-CG2 3.71Å; E274-V375 HydrophobicContact CG-CG2 3.85Å
275D95.1Very high94.3Very high18 Ų1843 Ų4310%0.09620%0.204CC..Hα-helixtrans-65.6-46.4173.3-63.3-24000109.6R272 A277 R278 E279 E283 R378R272-D275 HydrophobicContact CB-CB 4.42Å; R272-D275 IonicContact CZ-OD1 2.79Å; R272-D275 IonicContact CZ-OD2 2.85Å; R272-D275 IonicContact NE-OD1 2.8Å; R272-D275 PolarHBondContact NE-OD1 2.92Å; R272-D275 IonicContact NE-OD2 2.67Å; R272-D275 PolarHBondContact NE-OD2 3.19Å; R272-D275 IonicContact NH2-OD1 3.95Å; R272-D275 PolarHBondContact NH2-OD1 3.27Å; R272-D275 IonicContact NH2-OD2 3.03Å; R272-D275 PolarHBondContact NH2-OD2 2.83Å; R272-D275 PolarHBondContact O-N 3.06Å; D275-A277 VanDerWaalsContact C-N 3.27Å; D275-A277 PolarHBondContact O-N 3.46Å; D275-R278 PolarHBondContact O-N 3.43Å; D275-E279 PolarHBondContact O-N 2.96Å; D275-E283 HydrophobicContact CB-CG 4.15Å; D275-R378 IonicContact OD2-CZ 2.71Å; D275-R378 IonicContact OD2-NE 3.94Å; D275-R378 PolarHBondContact OD2-NE 3.14Å; D275-R378 IonicContact OD2-NH2 3.91Å; D275-R378 PolarHBondContact OD2-NH2 2.92Å
276L93.7Very high94.6Very high1 Ų137.3 Ų37.31%0.00519%0.19CC..Hα-helixtrans-60.4-34.7174.1-80.4167.7000112.8V56 L200 V271 R272 F273 P280 E283 I284V56-L276 HydrophobicContact CG2-CD1 3.61Å; L200-L276 HydrophobicContact CD1-CD1 3.81Å; V271-L276 HydrophobicContact CG1-CD1 3.48Å; V271-L276 VanDerWaalsContact CG1-CD1 3.48Å; V271-L276 HydrophobicContact CG1-CD2 4.44Å; V271-L276 HydrophobicContact CG1-CG 3.68Å; R272-L276 PolarHBondContact O-N 3.41Å; F273-L276 WeakPolarHBondContact O-CB 3.33Å; F273-L276 PolarHBondContact O-N 2.72Å; L276-P280 WeakPolarHBondContact O-CA 3.24Å; L276-P280 WeakPolarHBondContact O-CB 3.3Å; L276-P280 VanDerWaalsContact O-CG 3.28Å; L276-P280 WeakPolarHBondContact O-CG 3.21Å; L276-E283 HydrophobicContact CD2-CB 3.6Å; L276-E283 HydrophobicContact CG-CB 4.21Å; L276-I284 HydrophobicContact CD2-CG1 3.81Å
277A93.1Very high94.7Very high7 Ų735.6 Ų35.66%0.05817%0.171CC..Hα-helixtrans-75.9-30.6-179.600000112.7F273 E274 D275 A326F273-A277 HydrophobicContact CE1-CB 4.35Å; F273-A277 WeakPolarHBondContact O-CB 3.45Å; F273-A277 PolarHBondContact O-N 3.27Å; E274-A277 PolarHBondContact O-N 3Å; D275-A277 VanDerWaalsContact C-N 3.27Å; D275-A277 PolarHBondContact O-N 3.46Å; A277-A326 HydrophobicContact CB-CB 3.96Å
278R92.2Very high94.8Very high109 Ų10933.5 Ų33.541%0.41116%0.164SC..Hα-helixtrans-81.6-46.9-179.9-171-174.3-63-117.611.3111.9E274 D275 D373E274-R278 WeakPolarHBondContact O-CB 2.98Å; E274-R278 PolarHBondContact O-N 2.94Å; D275-R278 PolarHBondContact O-N 3.43Å; R278-D373 IonicContact CZ-OD2 3.79Å; R278-D373 IonicContact NH1-OD2 3.95Å; R278-D373 PolarHBondContact NH1-OD2 2.88Å; R278-D373 VanDerWaalsContact NH2-CG 3.29Å; R278-D373 IonicContact NH2-OD1 3.15Å; R278-D373 PolarHBondContact NH2-OD1 2.79Å; R278-D373 IonicContact NH2-OD2 3.48Å; R278-D373 PolarHBondContact NH2-OD2 3.25Å
279E92.7Very high94.8Very high116 Ų11635.8 Ų35.854%0.54219%0.187SC..SBendtrans-12867.3-176.4-67.2-63149.100111.1D275 L281 A282 E283D275-E279 PolarHBondContact O-N 2.96Å; E279-L281 PolarHBondContact O-N 2.97Å; E279-A282 HydrophobicContact CB-CB 4.33Å; E279-A282 PolarHBondContact O-N 3.43Å; E279-E283 PolarHBondContact O-N 2.85Å; E279-E283 VanDerWaalsContact O-N 3.1Å
280P92.1Very high94.9Very high13 Ų1334.7 Ų34.78%0.08418%0.184CC..Hα-helixtrans-58.3-50.3-169.3-20.528.6000113.5L276 A282 E283 I284 I303 T307L276-P280 WeakPolarHBondContact O-CA 3.24Å; L276-P280 WeakPolarHBondContact O-CB 3.3Å; L276-P280 VanDerWaalsContact O-CG 3.28Å; L276-P280 WeakPolarHBondContact O-CG 3.21Å; P280-A282 PolarHBondContact O-N 3.13Å; P280-E283 PolarHBondContact O-N 3.31Å; P280-I284 HydrophobicContact CB-CD1 4.38Å; P280-I284 VanDerWaalsContact O-CB 3.29Å; P280-I284 WeakPolarHBondContact O-CB 3.28Å; P280-I284 VanDerWaalsContact O-CD1 3.29Å; P280-I284 WeakPolarHBondContact O-CD1 3.28Å; P280-I284 WeakPolarHBondContact O-CG1 3.34Å; P280-I284 PolarHBondContact O-N 3.29Å; P280-I303 HydrophobicContact CB-CG2 4.37Å; P280-T307 HydrophobicContact CB-CG2 4.07Å; P280-T307 HydrophobicContact CG-CG2 4.16Å
281L92.8Very high95Very high39 Ų3932.4 Ų32.420%0.20417%0.172CC..Hα-helixtrans-65.2-41.3-175.1-68.8178.5000112.2E279 R285 E300 I303E279-L281 PolarHBondContact O-N 2.97Å; L281-R285 WeakPolarHBondContact O-CB 3.24Å; L281-R285 VanDerWaalsContact O-CG 3.27Å; L281-R285 WeakPolarHBondContact O-CG 3.46Å; L281-R285 PolarHBondContact O-N 2.82Å; L281-E300 HydrophobicContact CD1-CG 4.28Å; L281-E300 HydrophobicContact CD2-CG 3.85Å; L281-I303 HydrophobicContact CD2-CB 4.18Å; L281-I303 HydrophobicContact CD2-CG2 3.77Å
282A93.9Very high95.1Very high52 Ų5234.7 Ų34.743%0.4320%0.196SC..Hα-helixtrans-65.7-47.7179.500000111.8E279 P280 I284 R285 A286E279-A282 HydrophobicContact CB-CB 4.33Å; E279-A282 PolarHBondContact O-N 3.43Å; P280-A282 PolarHBondContact O-N 3.13Å; A282-I284 VanDerWaalsContact C-N 3.35Å; A282-I284 PolarHBondContact O-N 2.76Å; A282-R285 PolarHBondContact O-N 3.12Å; A282-A286 PolarHBondContact O-N 3.43Å; A282-A286 VanDerWaalsContact O-N 3.09Å
283E94.6Very high95.1Very high32 Ų3234.9 Ų34.915%0.1520%0.198CC..Hα-helixtrans-66.7-36.2179.6-73.7-66.8163.900112.2R269 D275 L276 E279 P280 A286 L287 R378R269-E283 IonicContact NH2-OE2 2.66Å; D275-E283 HydrophobicContact CB-CG 4.15Å; L276-E283 HydrophobicContact CD2-CB 3.6Å; L276-E283 HydrophobicContact CG-CB 4.21Å; E279-E283 PolarHBondContact O-N 2.85Å; E279-E283 VanDerWaalsContact O-N 3.1Å; P280-E283 PolarHBondContact O-N 3.31Å; E283-A286 PolarHBondContact O-N 2.83Å; E283-L287 VanDerWaalsContact O-CB 3.29Å; E283-L287 WeakPolarHBondContact O-CB 3.11Å; E283-L287 PolarHBondContact O-N 3.26Å; E283-R378 IonicContact OE1-CZ 3.27Å; E283-R378 IonicContact OE1-NH1 3.33Å; E283-R378 IonicContact OE1-NH2 3.78Å; E283-R378 PolarHBondContact OE1-NH2 2.99Å; E283-R378 IonicContact OE2-CZ 3.85Å; E283-R378 IonicContact OE2-NH1 3.59Å; E283-R378 IonicContact OE2-NH2 3.01Å; E283-R378 PolarHBondContact OE2-NH2 3.04Å
284I94.6Very high95.2Very high0 Ų038.1 Ų38.10%022%0.223CC..Hα-helixtrans-71.8-39.5178.4-63.3167.5000111.2F55 L59 L276 P280 A282 A286 L287 Y288 L295 I303F55-I284 HydrophobicContact CZ-CD1 4.41Å; L59-I284 HydrophobicContact CD1-CD1 3.45Å; L59-I284 VanDerWaalsContact CD1-CD1 3.45Å; L59-I284 HydrophobicContact CD1-CG1 3.55Å; L59-I284 HydrophobicContact CD1-CG2 4.28Å; L59-I284 HydrophobicContact CD2-CD1 3.73Å; L59-I284 HydrophobicContact CG-CD1 4.23Å; L276-I284 HydrophobicContact CD2-CG1 3.81Å; P280-I284 HydrophobicContact CB-CD1 4.38Å; P280-I284 VanDerWaalsContact O-CB 3.29Å; P280-I284 WeakPolarHBondContact O-CB 3.28Å; P280-I284 VanDerWaalsContact O-CD1 3.29Å; P280-I284 WeakPolarHBondContact O-CD1 3.28Å; P280-I284 WeakPolarHBondContact O-CG1 3.34Å; P280-I284 PolarHBondContact O-N 3.29Å; A282-I284 VanDerWaalsContact C-N 3.35Å; A282-I284 PolarHBondContact O-N 2.76Å; I284-A286 VanDerWaalsContact C-N 3.33Å; I284-A286 PolarHBondContact O-N 2.97Å; I284-L287 WeakPolarHBondContact O-CB 3.46Å; I284-L287 PolarHBondContact O-N 3.28Å; I284-Y288 HydrophobicContact CG2-CD1 3.97Å; I284-Y288 HydrophobicContact CG2-CE1 3.75Å; I284-Y288 HydrophobicContact CG2-CG 4.44Å; I284-Y288 WeakPolarHBondContact O-CB 3.15Å; I284-Y288 WeakPolarHBondContact O-CD1 3.4Å; I284-Y288 PolarHBondContact O-N 3.1Å; I284-L295 HydrophobicContact CG2-CD1 4.47Å; I284-L295 HydrophobicContact CG2-CD2 4Å; I284-I303 HydrophobicContact CD1-CD1 4Å; I284-I303 HydrophobicContact CD1-CG1 4.26Å; I284-I303 HydrophobicContact CD1-CG2 3.55Å; I284-I303 HydrophobicContact CG2-CD1 3.9Å
285R96Very high95.1Very high113 Ų11339.1 Ų39.143%0.42623%0.228SC..Hα-helixtrans-57-47.5171.3-77.1179-174.41241.5111.3L281 A282 L287 Y288 A289 L295 E300L281-R285 WeakPolarHBondContact O-CB 3.24Å; L281-R285 VanDerWaalsContact O-CG 3.27Å; L281-R285 WeakPolarHBondContact O-CG 3.46Å; L281-R285 PolarHBondContact O-N 2.82Å; A282-R285 PolarHBondContact O-N 3.12Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.78Å; R285-Y288 PolarHBondContact O-N 2.76Å; R285-A289 WeakPolarHBondContact O-CB 3.43Å; R285-A289 PolarHBondContact O-N 2.61Å; R285-L295 HydrophobicContact CG-CD1 3.41Å; R285-L295 VanDerWaalsContact CG-CD1 3.41Å; R285-L295 HydrophobicContact CG-CG 4.27Å; R285-E300 IonicContact CZ-OE1 3.92Å; R285-E300 IonicContact CZ-OE2 3.86Å; R285-E300 IonicContact NH2-OE1 2.61Å; R285-E300 PolarHBondContact NH2-OE1 3.29Å; R285-E300 IonicContact NH2-OE2 3.97Å; R285-E300 PolarHBondContact NH2-OE2 3.4Å
286A95.8Very high95Very high36 Ų3640.3 Ų40.330%0.29824%0.236SC..Hα-helixtrans-65.1-36.7178.200000112.4A282 E283 I284 F290A282-A286 PolarHBondContact O-N 3.43Å; A282-A286 VanDerWaalsContact O-N 3.09Å; E283-A286 PolarHBondContact O-N 2.83Å; I284-A286 VanDerWaalsContact C-N 3.33Å; I284-A286 PolarHBondContact O-N 2.97Å; A286-F290 WeakPolarHBondContact O-CB 3.41Å; A286-F290 PolarHBondContact O-N 3.27Å
287L96.4Very high95Very high1 Ų145.7 Ų45.71%0.00527%0.271CS..Hα-helixtrans-64.4-43175.2-178.460.6000111.7V56 F60 V198 V271 E283 I284 R285 F290 T291V56-L287 HydrophobicContact CG1-CD2 4.06Å; F60-L287 HydrophobicContact CE2-CD2 3.93Å; F60-L287 HydrophobicContact CE2-CG 4.34Å; F60-L287 HydrophobicContact CZ-CD1 4.3Å; F60-L287 HydrophobicContact CZ-CD2 4Å; F60-L287 HydrophobicContact CZ-CG 3.91Å; V198-L287 HydrophobicContact CB-CD1 4.23Å; V198-L287 HydrophobicContact CG1-CD1 3.59Å; V198-L287 HydrophobicContact CG2-CD1 3.55Å; V271-L287 HydrophobicContact CG2-CD1 4.35Å; E283-L287 VanDerWaalsContact O-CB 3.29Å; E283-L287 WeakPolarHBondContact O-CB 3.11Å; E283-L287 PolarHBondContact O-N 3.26Å; I284-L287 WeakPolarHBondContact O-CB 3.46Å; I284-L287 PolarHBondContact O-N 3.28Å; R285-L287 VanDerWaalsContact C-N 3.32Å; R285-L287 PolarHBondContact O-N 2.78Å; L287-F290 WeakPolarHBondContact O-CB 3.47Å; L287-F290 PolarHBondContact O-N 2.91Å; L287-T291 PolarHBondContact O-N 2.94Å; L287-T291 PolarHBondContact O-OG1 2.92Å
288Y97.4Very high95.1Very high1 Ų150 Ų500%0.00429%0.29CS..Hα-helixtrans-70-43.3-179.2-82.325.4000111.2L59 F60 H63 I284 R285 F290 T291 G292 L293 L295 L299L59-Y288 HydrophobicContact CB-CE1 4.41Å; L59-Y288 PolarHBondContact O-OH 2.79Å; F60-Y288 HydrophobicContact CD1-CE1 4.31Å; F60-Y288 HydrophobicContact CE1-CD1 4.33Å; F60-Y288 HydrophobicContact CE1-CE1 4.2Å; H63-Y288 AromaticContact CD2-CE2 3.81Å; I284-Y288 HydrophobicContact CG2-CD1 3.97Å; I284-Y288 HydrophobicContact CG2-CE1 3.75Å; I284-Y288 HydrophobicContact CG2-CG 4.44Å; I284-Y288 WeakPolarHBondContact O-CB 3.15Å; I284-Y288 WeakPolarHBondContact O-CD1 3.4Å; I284-Y288 PolarHBondContact O-N 3.1Å; R285-Y288 PolarHBondContact O-N 2.76Å; Y288-F290 VanDerWaalsContact C-N 3.26Å; Y288-F290 PolarHBondContact O-N 3.13Å; Y288-T291 CarbonylContact O-C 3.58Å; Y288-T291 WeakPolarHBondContact O-CA 3.21Å; Y288-T291 PolarHBondContact O-N 2.8Å; Y288-T291 PolarHBondContact O-OG1 2.66Å; Y288-T291 VanDerWaalsContact O-OG1 3.05Å; Y288-G292 PolarHBondContact O-N 2.67Å; Y288-L293 CarbonylContact C-O 3.58Å; Y288-L293 WeakPolarHBondContact CB-O 3.28Å; Y288-L293 HydrophobicContact CD2-CB 3.95Å; Y288-L293 HydrophobicContact CG-CB 3.98Å; Y288-L293 PolarHBondContact O-N 3.37Å; Y288-L295 HydrophobicContact CD2-CD2 3.77Å; Y288-L295 HydrophobicContact CD2-CG 4.03Å; Y288-L295 HydrophobicContact CE2-CD2 3.52Å; Y288-L295 HydrophobicContact CE2-CG 4.3Å; Y288-L299 HydrophobicContact CE2-CD2 3.67Å
289A97.4Very high95.1Very high70 Ų7044.9 Ų44.958%0.57927%0.271SS*.Hα-helixtrans-56.2-43.1171.900000111.5R285 T291 G292R285-A289 WeakPolarHBondContact O-CB 3.43Å; R285-A289 PolarHBondContact O-N 2.61Å; A289-T291 PolarHBondContact O-N 2.92Å; A289-G292 PolarHBondContact O-N 3.3Å
290F97.4Very high95.2Very high32 Ų3242.4 Ų42.414%0.1426%0.259CS..Hα-helixtrans-60.8-27.1174.6168.9-102.7000113.3R196 V198 G266 R269 A286 L287 Y288R196-F290 HydrophobicContact CB-CE1 3.95Å; R196-F290 HydrophobicContact CB-CZ 3.95Å; R196-F290 VanDerWaalsContact CD-O 3.24Å; R196-F290 WeakPolarHBondContact CD-O 3.49Å; R196-F290 PolarHBondContact NH1-O 3.2Å; V198-F290 HydrophobicContact CG2-CD1 4.17Å; V198-F290 HydrophobicContact CG2-CE1 3.96Å; G266-F290 WeakPolarHBondContact O-CE2 3.41Å; R269-F290 HydrophobicContact CB-CD1 3.82Å; R269-F290 HydrophobicContact CB-CD2 4.11Å; R269-F290 HydrophobicContact CB-CE1 3.67Å; R269-F290 HydrophobicContact CB-CE2 3.97Å; R269-F290 HydrophobicContact CB-CG 4.04Å; R269-F290 HydrophobicContact CB-CZ 3.75Å; A286-F290 WeakPolarHBondContact O-CB 3.41Å; A286-F290 PolarHBondContact O-N 3.27Å; L287-F290 WeakPolarHBondContact O-CB 3.47Å; L287-F290 PolarHBondContact O-N 2.91Å; Y288-F290 VanDerWaalsContact C-N 3.26Å; Y288-F290 PolarHBondContact O-N 3.13Å
291T97.3Very high95.3Very high0 Ų044.3 Ų44.30%028%0.276CS..Hα-helixtrans-100.92.7178.158.60000114.4V43 F60 H170 V198 L287 Y288 A289V43-T291 HydrophobicContact CG1-CG2 3.98Å; V43-T291 HydrophobicContact CG2-CG2 3.73Å; F60-T291 HydrophobicContact CE1-CG2 3.96Å; F60-T291 HydrophobicContact CZ-CG2 3.94Å; H170-T291 PolarHBondContact NE2-O 3.16Å; V198-T291 HydrophobicContact CG2-CG2 4.36Å; L287-T291 PolarHBondContact O-N 2.94Å; L287-T291 PolarHBondContact O-OG1 2.92Å; Y288-T291 CarbonylContact O-C 3.58Å; Y288-T291 WeakPolarHBondContact O-CA 3.21Å; Y288-T291 PolarHBondContact O-N 2.8Å; Y288-T291 PolarHBondContact O-OG1 2.66Å; Y288-T291 VanDerWaalsContact O-OG1 3.05Å; A289-T291 PolarHBondContact O-N 2.92Å
292G96.9Very high95.3Very high51 Ų5144.7 Ų44.753%0.52628%0.275SS..THydrogen-bonded Turntrans76.720.2-176.500000114.3Y288 A289Y288-G292 PolarHBondContact O-N 2.67Å; A289-G292 PolarHBondContact O-N 3.3Å
293L97.2Very high95.3Very high14 Ų1442.2 Ų42.27%0.07325%0.254CS..  trans-105162.3176.7-65.1175.1000110.9F60 V66 H170 Y288F60-L293 HydrophobicContact CD1-CD1 3.81Å; F60-L293 HydrophobicContact CE1-CD1 3.88Å; V66-L293 HydrophobicContact CG2-CD1 3.83Å; V66-L293 HydrophobicContact CG2-CD2 4.34Å; H170-L293 WeakPolarHBondContact CE1-CD2 3.47Å; H170-L293 WeakPolarHBondContact NE2-CD2 3.47Å; Y288-L293 CarbonylContact C-O 3.58Å; Y288-L293 WeakPolarHBondContact CB-O 3.28Å; Y288-L293 HydrophobicContact CD2-CB 3.95Å; Y288-L293 HydrophobicContact CG-CB 3.98Å; Y288-L293 PolarHBondContact O-N 3.37Å
294S96.2Very high95.1Very high84 Ų8444.7 Ų44.759%0.58727%0.266SS*.  trans-126.7145.8173.6570000110.8H63H63-S294 PolarHBondContact NE2-O 2.78Å
295L94.6Very high94.9Very high33 Ų3349.6 Ų49.617%0.17329%0.292CS..  trans-72.1132.4173-79.8179000110.8I284 R285 Y288 L299 I303I284-L295 HydrophobicContact CG2-CD1 4.47Å; I284-L295 HydrophobicContact CG2-CD2 4Å; R285-L295 HydrophobicContact CG-CD1 3.41Å; R285-L295 VanDerWaalsContact CG-CD1 3.41Å; R285-L295 HydrophobicContact CG-CG 4.27Å; Y288-L295 HydrophobicContact CD2-CD2 3.77Å; Y288-L295 HydrophobicContact CD2-CG 4.03Å; Y288-L295 HydrophobicContact CE2-CD2 3.52Å; Y288-L295 HydrophobicContact CE2-CG 4.3Å; L295-L299 HydrophobicContact CD2-CD2 3.93Å; L295-L299 HydrophobicContact CD2-CG 4.1Å; L295-I303 HydrophobicContact CD2-CD1 3.61Å
296T93.4Very high94.6Very high42 Ų4245.1 Ų45.126%0.25828%0.276SS..  trans-86.9153.5167.170.20000110P64 Q298 L299 E300P64-T296 HydrophobicContact CG-CG2 4.47Å; T296-Q298 VanDerWaalsContact C-N 3.26Å; T296-Q298 PolarHBondContact O-N 2.74Å; T296-L299 PolarHBondContact O-N 3.07Å; T296-L299 VanDerWaalsContact O-N 3.09Å; T296-L299 VanDerWaalsContact OG1-CB 3.29Å; T296-L299 WeakPolarHBondContact OG1-CB 3.37Å; T296-L299 PolarHBondContact OG1-N 3.2Å; T296-E300 PolarHBondContact O-N 3.21Å
297P94.1Very high94.1Very high114 Ų11443.7 Ų43.774%0.7426%0.263SS*.Hα-helixtrans-56.6-38.8177.2-27.335.3000113.4E300 A301P297-E300 PolarHBondContact O-N 3.01Å; P297-A301 PolarHBondContact O-N 3.46Å
298Q93.4Very high93.7Very high99 Ų9948.8 Ų48.846%0.46329%0.287SS..Hα-helixtrans-63.8-41.7177.2-175.6177.314.100111.9G141 I143 T296 W302G141-Q298 PolarHBondContact O-OE1 3.19Å; I143-Q298 HydrophobicContact CD1-CG 4.43Å; I143-Q298 HydrophobicContact CG1-CG 3.99Å; T296-Q298 VanDerWaalsContact C-N 3.26Å; T296-Q298 PolarHBondContact O-N 2.74Å; Q298-W302 WeakPolarHBondContact O-CB 3.06Å; Q298-W302 PolarHBondContact O-N 3.11Å
299L93.8Very high92.8Very high1 Ų149.2 Ų49.21%0.00529%0.292CS..Hα-helixtrans-71.8-38.1179.8-172.760.3000111.4Q62 I143 Y288 L295 T296 W302 I303Q62-L299 HydrophobicContact CB-CD1 3.62Å; I143-L299 HydrophobicContact CD1-CD1 4.04Å; Y288-L299 HydrophobicContact CE2-CD2 3.67Å; L295-L299 HydrophobicContact CD2-CD2 3.93Å; L295-L299 HydrophobicContact CD2-CG 4.1Å; T296-L299 PolarHBondContact O-N 3.07Å; T296-L299 VanDerWaalsContact O-N 3.09Å; T296-L299 VanDerWaalsContact OG1-CB 3.29Å; T296-L299 WeakPolarHBondContact OG1-CB 3.37Å; T296-L299 PolarHBondContact OG1-N 3.2Å; L299-W302 HydrophobicContact CD1-CD2 4.49Å; L299-W302 HydrophobicContact CD1-CE3 3.63Å; L299-W302 HydrophobicContact CD1-CZ3 4.09Å; L299-W302 PolarHBondContact O-N 3.17Å; L299-I303 HydrophobicContact CD1-CD1 4.5Å; L299-I303 HydrophobicContact CG-CD1 3.97Å; L299-I303 HydrophobicContact CG-CG1 4.46Å; L299-I303 WeakPolarHBondContact O-CB 3.29Å; L299-I303 WeakPolarHBondContact O-CD1 3.5Å; L299-I303 WeakPolarHBondContact O-CG1 3.36Å; L299-I303 PolarHBondContact O-N 3.15Å
300E94.4Very high91.5Very high64 Ų6451.7 Ų51.730%0.29931%0.305SS..Hα-helixtrans-57.9-48.5172.6174.2159.3176.300111.7L281 R285 T296 P297 W302 I303 H304L281-E300 HydrophobicContact CD1-CG 4.28Å; L281-E300 HydrophobicContact CD2-CG 3.85Å; R285-E300 IonicContact CZ-OE1 3.92Å; R285-E300 IonicContact CZ-OE2 3.86Å; R285-E300 IonicContact NH2-OE1 2.61Å; R285-E300 PolarHBondContact NH2-OE1 3.29Å; R285-E300 IonicContact NH2-OE2 3.97Å; R285-E300 PolarHBondContact NH2-OE2 3.4Å; T296-E300 PolarHBondContact O-N 3.21Å; P297-E300 PolarHBondContact O-N 3.01Å; E300-W302 PolarHBondContact O-N 2.92Å; E300-I303 PolarHBondContact O-N 3.24Å; E300-H304 PolarHBondContact O-N 2.91Å
301A93.8Very high89.8Confident52 Ų5251.6 Ų51.643%0.4331%0.313SS..Hα-helixtrans-61.5-42.4175.800000112.3P297 H304 N305P297-A301 PolarHBondContact O-N 3.46Å; A301-H304 PolarHBondContact O-N 3.43Å; A301-N305 VanDerWaalsContact O-CG 3.26Å; A301-N305 PolarHBondContact O-N 3.33Å; A301-N305 PolarHBondContact O-ND2 3.2Å
302W93.6Very high87.9Confident48 Ų4855 Ų5518%0.18234%0.335CS..Hα-helixtrans-64-42.5176.8175.981.8000112.5Q58 L59 Q62 I143 Q298 L299 E300 N305 I306Q58-W302 HydrophobicContact CB-CH2 4.06Å; L59-W302 HydrophobicContact CD2-CZ3 3.95Å; Q62-W302 HydrophobicContact CB-CZ3 4.43Å; Q62-W302 HydrophobicContact CG-CE3 4.38Å; Q62-W302 HydrophobicContact CG-CH2 3.78Å; Q62-W302 HydrophobicContact CG-CZ2 3.9Å; Q62-W302 HydrophobicContact CG-CZ3 4.03Å; I143-W302 HydrophobicContact CD1-CB 4.08Å; I143-W302 HydrophobicContact CD1-CD2 4.44Å; I143-W302 HydrophobicContact CD1-CG 4.09Å; I143-W302 HydrophobicContact CG1-CB 4.19Å; I143-W302 HydrophobicContact CG1-CG 4.22Å; I143-W302 HydrophobicContact CG2-CD2 4.48Å; I143-W302 HydrophobicContact CG2-CG 4.1Å; Q298-W302 WeakPolarHBondContact O-CB 3.06Å; Q298-W302 PolarHBondContact O-N 3.11Å; L299-W302 HydrophobicContact CD1-CD2 4.49Å; L299-W302 HydrophobicContact CD1-CE3 3.63Å; L299-W302 HydrophobicContact CD1-CZ3 4.09Å; L299-W302 PolarHBondContact O-N 3.17Å; E300-W302 PolarHBondContact O-N 2.92Å; W302-N305 PolarHBondContact O-N 3.47Å; W302-I306 HydrophobicContact CH2-CD1 4.01Å; W302-I306 HydrophobicContact CH2-CG2 4.44Å; W302-I306 HydrophobicContact CZ2-CD1 3.42Å; W302-I306 VanDerWaalsContact CZ2-CD1 3.42Å; W302-I306 HydrophobicContact CZ3-CG2 4.47Å; W302-I306 PolarHBondContact O-N 3.22Å
303I92.7Very high86.3Confident0 Ų054.3 Ų54.30%033%0.328CS..Hα-helixtrans-60.2-47176.4-72.7163.5000110.5L59 P280 L281 I284 L295 L299 E300 N305 I306 T307L59-I303 HydrophobicContact CD2-CD1 4.19Å; L59-I303 HydrophobicContact CD2-CG1 3.78Å; P280-I303 HydrophobicContact CB-CG2 4.37Å; L281-I303 HydrophobicContact CD2-CB 4.18Å; L281-I303 HydrophobicContact CD2-CG2 3.77Å; I284-I303 HydrophobicContact CD1-CD1 4Å; I284-I303 HydrophobicContact CD1-CG1 4.26Å; I284-I303 HydrophobicContact CD1-CG2 3.55Å; I284-I303 HydrophobicContact CG2-CD1 3.9Å; L295-I303 HydrophobicContact CD2-CD1 3.61Å; L299-I303 HydrophobicContact CD1-CD1 4.5Å; L299-I303 HydrophobicContact CG-CD1 3.97Å; L299-I303 HydrophobicContact CG-CG1 4.46Å; L299-I303 WeakPolarHBondContact O-CB 3.29Å; L299-I303 WeakPolarHBondContact O-CD1 3.5Å; L299-I303 WeakPolarHBondContact O-CG1 3.36Å; L299-I303 PolarHBondContact O-N 3.15Å; E300-I303 PolarHBondContact O-N 3.24Å; I303-N305 VanDerWaalsContact C-N 3.33Å; I303-N305 PolarHBondContact O-N 2.8Å; I303-I306 WeakPolarHBondContact O-CG2 3.45Å; I303-I306 PolarHBondContact O-N 3.26Å; I303-T307 WeakPolarHBondContact O-CB 3.48Å; I303-T307 WeakPolarHBondContact O-CG2 3.27Å; I303-T307 PolarHBondContact O-N 2.89Å; I303-T307 VanDerWaalsContact O-N 3.13Å; I303-T307 PolarHBondContact O-OG1 3.04Å
304H90.8Very high84.8Confident84 Ų8455.6 Ų55.639%0.38934%0.341SS..Hα-helixtrans-57-50.2177.3-179.4-87.8000110.5E300 A301 I306 T307 H308E300-H304 PolarHBondContact O-N 2.91Å; A301-H304 PolarHBondContact O-N 3.43Å; H304-I306 PolarHBondContact O-N 3.31Å; H304-T307 PolarHBondContact O-N 3.37Å; H304-T307 PolarHBondContact O-OG1 2.87Å; H304-T307 VanDerWaalsContact O-OG1 3.11Å; H304-H308 AromaticContact CD2-CE1 3.83Å; H304-H308 AromaticContact CD2-ND1 3.78Å; H304-H308 AromaticContact NE2-ND1 3.92Å; H304-H308 WeakPolarHBondContact O-CB 3.24Å; H304-H308 PolarHBondContact O-N 2.93Å; H304-H308 PolarHBondContact O-ND1 3.15Å
305N90.1Very high83.1Confident103 Ų10360.5 Ų60.555%0.55135%0.346SS*.Hα-helixtrans-65.1-36.7-178-69.4-13.1000113.6A301 W302 I303 T307 S323A301-N305 VanDerWaalsContact O-CG 3.26Å; A301-N305 PolarHBondContact O-N 3.33Å; A301-N305 PolarHBondContact O-ND2 3.2Å; W302-N305 PolarHBondContact O-N 3.47Å; I303-N305 VanDerWaalsContact C-N 3.33Å; I303-N305 PolarHBondContact O-N 2.8Å; N305-T307 VanDerWaalsContact C-N 3.34Å; N305-S323 PolarHBondContact O-OG 3.47Å
306I89.2Confident81.7Confident18 Ų1869.4 Ų69.49%0.09238%0.378CS..Hα-helixtrans-77.5-21.5-179.4-156.2166.8000112.8F55 W302 I303 H304 T321 S323 R324F55-I306 HydrophobicContact CE2-CG2 3.89Å; W302-I306 HydrophobicContact CH2-CD1 4.01Å; W302-I306 HydrophobicContact CH2-CG2 4.44Å; W302-I306 HydrophobicContact CZ2-CD1 3.42Å; W302-I306 VanDerWaalsContact CZ2-CD1 3.42Å; W302-I306 HydrophobicContact CZ3-CG2 4.47Å; W302-I306 PolarHBondContact O-N 3.22Å; I303-I306 WeakPolarHBondContact O-CG2 3.45Å; I303-I306 PolarHBondContact O-N 3.26Å; H304-I306 PolarHBondContact O-N 3.31Å; I306-T321 HydrophobicContact CD1-CG2 3.72Å; I306-S323 WeakPolarHBondContact O-CA 3.02Å; I306-R324 PolarHBondContact O-N 2.84Å
307T86.8Confident80.6Confident6 Ų669.6 Ų69.64%0.03738%0.375CS..Hα-helixtrans-97.1-15.7-179.354.50000114.4F55 P280 I303 H304 N305 R324 N325 A326F55-T307 HydrophobicContact CE1-CG2 4.42Å; F55-T307 HydrophobicContact CE2-CG2 3.92Å; F55-T307 HydrophobicContact CZ-CG2 3.49Å; F55-T307 VanDerWaalsContact CZ-CG2 3.49Å; P280-T307 HydrophobicContact CB-CG2 4.07Å; P280-T307 HydrophobicContact CG-CG2 4.16Å; I303-T307 WeakPolarHBondContact O-CB 3.48Å; I303-T307 WeakPolarHBondContact O-CG2 3.27Å; I303-T307 PolarHBondContact O-N 2.89Å; I303-T307 VanDerWaalsContact O-N 3.13Å; I303-T307 PolarHBondContact O-OG1 3.04Å; H304-T307 PolarHBondContact O-N 3.37Å; H304-T307 PolarHBondContact O-OG1 2.87Å; H304-T307 VanDerWaalsContact O-OG1 3.11Å; N305-T307 VanDerWaalsContact C-N 3.34Å; T307-R324 CarbonylContact C-O 3.42Å; T307-R324 WeakPolarHBondContact CA-O 3.45Å; T307-N325 WeakPolarHBondContact O-CA 3.4Å; T307-A326 HydrophobicContact CG2-CB 4.49Å; T307-A326 PolarHBondContact O-N 3.39Å
308H86.7Confident79Confident108 Ų10864.8 Ų64.850%0.535%0.345SS..BIsolated β-bridgetrans-11019.1179.8-66.475.3000113.3H304H304-H308 AromaticContact CD2-CE1 3.83Å; H304-H308 AromaticContact CD2-ND1 3.78Å; H304-H308 AromaticContact NE2-ND1 3.92Å; H304-H308 WeakPolarHBondContact O-CB 3.24Å; H304-H308 PolarHBondContact O-N 2.93Å; H304-H308 PolarHBondContact O-ND1 3.15Å
309G79.8Confident77.8Confident10 Ų1064.6 Ų64.610%0.10334%0.343CS..  trans-66166.4177.100000114.3S323 R324 N325G309-S323 WeakPolarHBondContact CA-OG 3.48Å; G309-S323 PolarHBondContact N-OG 3.25Å; G309-R324 CarbonylContact O-C 3.59Å; G309-N325 WeakPolarHBondContact O-CA 3.45Å; G309-N325 WeakPolarHBondContact O-CB 3.4Å; G309-N325 PolarHBondContact O-N 2.94Å
310S68.8Low76.8Confident122 Ų12270 Ų7085%0.85337%0.367SS*.SBendtrans-81.4126.2179.5-59.30000112.4
311G62.6Low75.9Confident31 Ų3169.1 Ų69.132%0.3237%0.366SS..SBendtrans74.7179.7170.500000116.1G313 N325G311-G313 VanDerWaalsContact C-N 3.34Å; G311-N325 PolarHBondContact O-N 3.3Å
312P58.3Low75.1Confident71 Ų7168.3 Ų68.346%0.46136%0.357SS..SBendtrans-85.2-0.3-175.733.8-35.8000114.7R324 V329P312-R324 VanDerWaalsContact O-CD 3.26Å; P312-R324 WeakPolarHBondContact O-CD 3.31Å; P312-R324 PolarHBondContact O-NE 3.42Å; P312-R324 PolarHBondContact O-NH1 3.22Å; P312-V329 HydrophobicContact CB-CG2 4.48Å
313G62Low74.5Confident36 Ų3669 Ų6937%0.37137%0.369SS..  trans76.9165.5-173.400000114.7G311G311-G313 VanDerWaalsContact C-N 3.34Å
314A65.9Low74.1Confident41 Ų4171 Ų7134%0.33938%0.377SS..  trans-80.4154.7-17600000112.8R316 E317A314-R316 HydrophobicContact CB-CG 4.06Å; A314-R316 PolarHBondContact O-N 3Å; A314-E317 HydrophobicContact CB-CG 4.32Å; A314-E317 PolarHBondContact N-OE2 2.96Å; A314-E317 VanDerWaalsContact N-OE2 3.1Å; A314-E317 WeakPolarHBondContact O-CA 3.32Å; A314-E317 WeakPolarHBondContact O-CB 3.32Å; A314-E317 PolarHBondContact O-N 2.8Å
315R61Low73.8Confident187 Ų18769.1 Ų69.171%0.70637%0.37SS*.G310 helixtrans-56.7-37.2178.1-171.6178.6-179.8177.60.8112.7E317 A318R315-E317 PolarHBondContact O-N 2.93Å; R315-E317 VanDerWaalsContact O-N 3.17Å; R315-A318 WeakPolarHBondContact O-CB 3.41Å; R315-A318 PolarHBondContact O-N 3.12Å
316R65.4Low73.6Confident220 Ų22064.9 Ų64.983%0.8335%0.349SS*.G310 helixtrans-64.3-14.5176.370.6-172.7176.8-172.5-3.1114A314A314-R316 HydrophobicContact CB-CG 4.06Å; A314-R316 PolarHBondContact O-N 3Å
317E69.9Low73.6Confident46 Ų4667.2 Ų67.222%0.21536%0.361CS..G310 helixtrans-104.416.2-179-61.8161.4-172.500111.3A314 R315 F319 K320 R324A314-E317 HydrophobicContact CB-CG 4.32Å; A314-E317 PolarHBondContact N-OE2 2.96Å; A314-E317 VanDerWaalsContact N-OE2 3.1Å; A314-E317 WeakPolarHBondContact O-CA 3.32Å; A314-E317 WeakPolarHBondContact O-CB 3.32Å; A314-E317 PolarHBondContact O-N 2.8Å; R315-E317 PolarHBondContact O-N 2.93Å; R315-E317 VanDerWaalsContact O-N 3.17Å; E317-F319 PolarHBondContact O-N 3.29Å; E317-K320 HydrophobicContact CB-CB 4.2Å; E317-K320 HydrophobicContact CG-CD 4.3Å; E317-K320 PolarHBondContact O-N 3.17Å; E317-R324 PolarHBondContact O-NH2 2.89Å; E317-R324 IonicContact OE2-NH2 2.72Å
318A60.9Low73.7Confident13 Ų1371.1 Ų71.111%0.10738%0.382CS..THydrogen-bonded Turntrans-55.6-31.2-174.900000113.2R50 T214 R315R50-A318 PolarHBondContact NH1-O 3.31Å; R50-A318 PolarHBondContact NH2-O 2.03Å; T214-A318 HydrophobicContact CG2-CB 3.53Å; R315-A318 WeakPolarHBondContact O-CB 3.41Å; R315-A318 PolarHBondContact O-N 3.12Å
319F66.9Low73.8Confident96 Ų9667.4 Ų67.442%0.42137%0.367SS..THydrogen-bonded Turntrans-99.30.1177-66.4-78.1000114.5R50 T214 A217 L218 E317R50-F319 VanDerWaalsContact NH1-CD1 3.28Å; T214-F319 VanDerWaalsContact CB-CZ 3.46Å; T214-F319 HydrophobicContact CG2-CD2 4.18Å; T214-F319 HydrophobicContact CG2-CE1 4.31Å; T214-F319 HydrophobicContact CG2-CE2 3.47Å; T214-F319 VanDerWaalsContact CG2-CE2 3.47Å; T214-F319 HydrophobicContact CG2-CZ 3.57Å; A217-F319 HydrophobicContact CB-CE2 3.59Å; A217-F319 HydrophobicContact CB-CZ 3.76Å; L218-F319 HydrophobicContact CD2-CZ 4.48Å; E317-F319 PolarHBondContact O-N 3.29Å
320K72.7Confident74.3Confident115 Ų11567.2 Ų67.250%0.536%0.364SS..SBendtrans-94137.9-178.8-63-167178.3-1730111.1E317 S322E317-K320 HydrophobicContact CB-CB 4.2Å; E317-K320 HydrophobicContact CG-CD 4.3Å; E317-K320 PolarHBondContact O-N 3.17Å; K320-S322 PolarHBondContact O-N 2.96Å
321T75.5Confident75.5Confident45 Ų4563.6 Ų63.628%0.27633%0.333SS..  trans-82.395166.7-48.60000107.8S54 F55 Q58 I306S54-T321 PolarHBondContact O-OG1 3.09Å; F55-T321 HydrophobicContact CB-CG2 4.31Å; F55-T321 HydrophobicContact CD2-CG2 3.82Å; Q58-T321 HydrophobicContact CB-CG2 4.18Å; Q58-T321 HydrophobicContact CG-CG2 4.12Å; I306-T321 HydrophobicContact CD1-CG2 3.72Å
322S77.1Confident77Confident34 Ų3463 Ų6324%0.23833%0.326CS..  trans-116158-178.838.20000109.4K320 R324K320-S322 PolarHBondContact O-N 2.96Å; S322-R324 PolarHBondContact O-N 2.9Å; S322-R324 VanDerWaalsContact O-N 3.16Å; S322-R324 PolarHBondContact OG-NE 3Å; S322-R324 PolarHBondContact OG-NH2 3.28Å
323S82.5Confident78.8Confident64 Ų6460 Ų6045%0.44831%0.305SS..SBendtrans-62.3115.4177.8178.20000110.3N305 I306 G309N305-S323 PolarHBondContact O-OG 3.47Å; I306-S323 WeakPolarHBondContact O-CA 3.02Å; G309-S323 WeakPolarHBondContact CA-OG 3.48Å; G309-S323 PolarHBondContact N-OG 3.25Å
324R82.9Confident80.4Confident40 Ų4058.5 Ų58.515%0.15129%0.288CS..  trans-148.2153.3-176.3-65.6173.8-170.5-164.911.9109.8I306 T307 G309 P312 E317 S322 A326 V329I306-R324 PolarHBondContact O-N 2.84Å; T307-R324 CarbonylContact C-O 3.42Å; T307-R324 WeakPolarHBondContact CA-O 3.45Å; G309-R324 CarbonylContact O-C 3.59Å; P312-R324 VanDerWaalsContact O-CD 3.26Å; P312-R324 WeakPolarHBondContact O-CD 3.31Å; P312-R324 PolarHBondContact O-NE 3.42Å; P312-R324 PolarHBondContact O-NH1 3.22Å; E317-R324 PolarHBondContact O-NH2 2.89Å; E317-R324 IonicContact OE2-NH2 2.72Å; S322-R324 PolarHBondContact O-N 2.9Å; S322-R324 VanDerWaalsContact O-N 3.16Å; S322-R324 PolarHBondContact OG-NE 3Å; S322-R324 PolarHBondContact OG-NH2 3.28Å; R324-A326 PolarHBondContact O-N 3.25Å; R324-A326 VanDerWaalsContact O-N 3.08Å; R324-V329 HydrophobicContact CB-CG2 4.06Å
325N85.4Confident81.8Confident46 Ų4661 Ų6125%0.24629%0.293CS..BIsolated β-bridgetrans-70.2107.2171.3-176.5-64.7000109.1T307 G309 G311 L327 N328 V329T307-N325 WeakPolarHBondContact O-CA 3.4Å; G309-N325 WeakPolarHBondContact O-CA 3.45Å; G309-N325 WeakPolarHBondContact O-CB 3.4Å; G309-N325 PolarHBondContact O-N 2.94Å; G311-N325 PolarHBondContact O-N 3.3Å; N325-L327 VanDerWaalsContact C-N 3.31Å; N325-L327 PolarHBondContact O-N 2.67Å; N325-L327 PolarHBondContact OD1-N 2.8Å; N325-N328 HydrophobicContact CB-CB 4.08Å; N325-N328 PolarHBondContact O-N 3.02Å; N325-N328 PolarHBondContact OD1-N 3.18Å; N325-V329 WeakPolarHBondContact O-CG2 3.37Å; N325-V329 PolarHBondContact O-N 3.23Å
326A86.1Confident83.4Confident14 Ų1454.8 Ų54.812%0.11628%0.281CS..Hα-helixtrans-61.5-39.5-17300000112.3A277 T307 R324 V329 S330A277-A326 HydrophobicContact CB-CB 3.96Å; T307-A326 HydrophobicContact CG2-CB 4.49Å; T307-A326 PolarHBondContact O-N 3.39Å; R324-A326 PolarHBondContact O-N 3.25Å; R324-A326 VanDerWaalsContact O-N 3.08Å; A326-V329 PolarHBondContact O-N 3.43Å; A326-S330 PolarHBondContact O-N 3.44Å
327L88.1Confident84.9Confident67 Ų6744.5 Ų44.535%0.35124%0.243SC..Hα-helixtrans-62.7-48.7178.4-175.961.6000111.3N325 V329 S330 Q331N325-L327 VanDerWaalsContact C-N 3.31Å; N325-L327 PolarHBondContact O-N 2.67Å; N325-L327 PolarHBondContact OD1-N 2.8Å; L327-V329 VanDerWaalsContact C-N 3.3Å; L327-V329 PolarHBondContact O-N 2.79Å; L327-S330 WeakPolarHBondContact O-CB 3.44Å; L327-S330 PolarHBondContact O-N 3.22Å; L327-S330 VanDerWaalsContact O-N 3.09Å; L327-S330 PolarHBondContact O-OG 3.47Å; L327-Q331 PolarHBondContact O-N 3.35Å; L327-Q331 VanDerWaalsContact O-N 3.15Å
328N89.1Confident86.2Confident88 Ų8845.9 Ų45.947%0.47126%0.255SS..Hα-helixtrans-59.8-41.5176.6-70.4-10.1000111.5N325 S330 Q331 A332N325-N328 HydrophobicContact CB-CB 4.08Å; N325-N328 PolarHBondContact O-N 3.02Å; N325-N328 PolarHBondContact OD1-N 3.18Å; N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 3.49Å; N328-Q331 PolarHBondContact O-N 3.01Å; N328-A332 WeakPolarHBondContact O-CB 3.27Å; N328-A332 PolarHBondContact O-N 2.98Å
329V88.6Confident88Confident30 Ų3047.1 Ų47.118%0.18226%0.258CS..Hα-helixtrans-64.1-37.3176.4170.70000111.8R202 F273 P312 R324 N325 A326 L327 Q331R202-V329 PolarHBondContact NH2-O 3.19Å; R202-V329 VanDerWaalsContact NH2-O 3.11Å; F273-V329 HydrophobicContact CZ-CG1 4.43Å; P312-V329 HydrophobicContact CB-CG2 4.48Å; R324-V329 HydrophobicContact CB-CG2 4.06Å; N325-V329 WeakPolarHBondContact O-CG2 3.37Å; N325-V329 PolarHBondContact O-N 3.23Å; A326-V329 PolarHBondContact O-N 3.43Å; L327-V329 VanDerWaalsContact C-N 3.3Å; L327-V329 PolarHBondContact O-N 2.79Å; V329-Q331 VanDerWaalsContact C-N 3.34Å
330S91.5Very high89.4Confident5 Ų545.5 Ų45.54%0.03526%0.263CS..Hα-helixtrans-65.1-37.4178.479.30000112.3A326 L327 N328A326-S330 PolarHBondContact O-N 3.44Å; L327-S330 WeakPolarHBondContact O-CB 3.44Å; L327-S330 PolarHBondContact O-N 3.22Å; L327-S330 VanDerWaalsContact O-N 3.09Å; L327-S330 PolarHBondContact O-OG 3.47Å; N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 3.49Å
331Q94Very high90.6Very high47 Ų4744 Ų4422%0.2226%0.257CS..Hα-helixtrans-99.5-1.8-175.4-58.3-172.4-0.100114.3L327 N328 V329 W333 R334 L370L327-Q331 PolarHBondContact O-N 3.35Å; L327-Q331 VanDerWaalsContact O-N 3.15Å; N328-Q331 PolarHBondContact O-N 3.01Å; V329-Q331 VanDerWaalsContact C-N 3.34Å; Q331-W333 PolarHBondContact O-N 2.93Å; Q331-R334 VanDerWaalsContact O-CB 3.24Å; Q331-R334 WeakPolarHBondContact O-CB 3.5Å; Q331-R334 VanDerWaalsContact O-CG 3.28Å; Q331-R334 WeakPolarHBondContact O-CG 3.29Å; Q331-R334 PolarHBondContact O-N 2.9Å; Q331-L370 HydrophobicContact CB-CD2 4.49Å
332A93.3Very high91.6Very high19 Ų1941.9 Ų41.916%0.15724%0.244CC..THydrogen-bonded Turntrans-58.3-17.9-174.400000115.2R209 N328 R334 A336R209-A332 PolarHBondContact NE-O 3.41Å; N328-A332 WeakPolarHBondContact O-CB 3.27Å; N328-A332 PolarHBondContact O-N 2.98Å; A332-R334 VanDerWaalsContact C-N 3.27Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 2.94Å
333W96.2Very high92.6Very high8 Ų846.8 Ų46.83%0.0326%0.257CS..Hα-helixtrans-69.2-26.9175.766.3-93.2000112.7R205 A206 R209 Q331 H335 A336 L337 I342 Q367 L374R205-W333 HydrophobicContact CB-CD2 3.68Å; R205-W333 HydrophobicContact CB-CE3 3.73Å; R205-W333 HydrophobicContact CB-CG 4.18Å; R205-W333 HydrophobicContact CB-CH2 4.33Å; R205-W333 HydrophobicContact CB-CZ2 4.29Å; R205-W333 HydrophobicContact CB-CZ3 4.06Å; R205-W333 VanDerWaalsContact CD-CH2 3.48Å; R205-W333 HydrophobicContact CG-CE3 4.49Å; R205-W333 HydrophobicContact CG-CZ3 4.36Å; R205-W333 VanDerWaalsContact CZ-CH2 3.42Å; R205-W333 VanDerWaalsContact NE-CH2 3.34Å; A206-W333 VanDerWaalsContact CB-CD1 3.5Å; A206-W333 HydrophobicContact CB-CG 4.23Å; R209-W333 HydrophobicContact CB-CB 4.04Å; Q331-W333 PolarHBondContact O-N 2.93Å; W333-H335 VanDerWaalsContact C-N 3.27Å; W333-H335 PolarHBondContact O-N 2.92Å; W333-A336 PolarHBondContact O-N 3.26Å; W333-L337 HydrophobicContact CB-CD1 4.33Å; W333-L337 PolarHBondContact O-N 3.09Å; W333-I342 HydrophobicContact CE3-CD1 3.5Å; W333-I342 HydrophobicContact CE3-CG1 4.18Å; W333-I342 HydrophobicContact CZ3-CD1 3.84Å; W333-I342 HydrophobicContact CZ3-CG1 4.14Å; W333-I342 HydrophobicContact CZ3-CG2 3.97Å; W333-Q367 HydrophobicContact CZ3-CG 4.08Å; W333-L374 HydrophobicContact CH2-CD1 3.64Å; W333-L374 HydrophobicContact CZ2-CD1 3.62Å
334R96.5Very high93.4Very high3 Ų348.6 Ų48.61%0.01125%0.254CS..Hα-helixtrans-60.1-34-177.1-66.3-169.776.3172.67.7113Q331 A332 E366 Q367 N369 L370 L372Q331-R334 VanDerWaalsContact O-CB 3.24Å; Q331-R334 WeakPolarHBondContact O-CB 3.5Å; Q331-R334 VanDerWaalsContact O-CG 3.28Å; Q331-R334 WeakPolarHBondContact O-CG 3.29Å; Q331-R334 PolarHBondContact O-N 2.9Å; A332-R334 VanDerWaalsContact C-N 3.27Å; R334-E366 PolarHBondContact NH2-O 2.71Å; R334-Q367 VanDerWaalsContact CB-O 3.31Å; R334-Q367 WeakPolarHBondContact CB-O 3.34Å; R334-Q367 PolarHBondContact NE-O 2.6Å; R334-Q367 PolarHBondContact NH2-O 2.77Å; R334-Q367 WeakPolarHBondContact O-CG 3.09Å; R334-Q367 PolarHBondContact O-NE2 3.11Å; R334-N369 PolarHBondContact NH1-O 3.15Å; R334-N369 VanDerWaalsContact NH2-C 3.3Å; R334-N369 PolarHBondContact NH2-O 3.17Å; R334-L370 HydrophobicContact CB-CD2 4.27Å; R334-L372 PolarHBondContact NH1-O 2.89Å
335H94.8Very high94.1Very high94 Ų9446.7 Ų46.744%0.43525%0.247SC..Hα-helixtrans-105.2-20.6177-59.8-80.4000113.7W333 R368 L370W333-H335 VanDerWaalsContact C-N 3.27Å; W333-H335 PolarHBondContact O-N 2.92Å; H335-R368 PolarHBondContact CE1-O 3.37Å; H335-R368 VanDerWaalsContact CE1-O 3.26Å; H335-L370 WeakPolarHBondContact NE2-CD2 3.44Å; H335-L370 WeakPolarHBondContact NE2-CG 3.49Å
336A94.6Very high94.7Very high56 Ų5645.2 Ų45.246%0.46324%0.238SC..Hα-helixtrans-87.7-25.5-171.300000114.5R209 A332 W333R209-A336 HydrophobicContact CG-CB 4.19Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 2.94Å; W333-A336 PolarHBondContact O-N 3.26Å
337L96.4Very high95.2Very high5 Ų549 Ų493%0.02625%0.254CS..SBendtrans-105.7139.9-177.3-68.8179.5000111.2L208 R209 E212 W333 I342 Q367L208-L337 HydrophobicContact CB-CD1 4.44Å; L208-L337 HydrophobicContact CD2-CD1 4.07Å; L208-L337 HydrophobicContact CG-CD1 4.22Å; R209-L337 HydrophobicContact CB-CD1 3.81Å; R209-L337 HydrophobicContact CB-CD2 4.37Å; R209-L337 HydrophobicContact CB-CG 4.04Å; R209-L337 HydrophobicContact CG-CG 4.4Å; E212-L337 WeakPolarHBondContact OE2-CD2 3.36Å; W333-L337 HydrophobicContact CB-CD1 4.33Å; W333-L337 PolarHBondContact O-N 3.09Å; L337-I342 HydrophobicContact CB-CD1 3.73Å; L337-I342 HydrophobicContact CB-CG1 4.12Å; L337-I342 HydrophobicContact CD1-CD1 3.62Å; L337-I342 HydrophobicContact CG-CD1 4.33Å; L337-Q367 PolarHBondContact O-NE2 3.06Å
338P97.2Very high95.7Very high74 Ų7447.4 Ų47.448%0.48125%0.245SC..  trans-61.8143.3169.9-22.132.9000112.1A340 K341 I342P338-A340 PolarHBondContact O-N 3.25Å; P338-K341 WeakPolarHBondContact O-CB 3.41Å; P338-K341 PolarHBondContact O-N 2.96Å; P338-I342 PolarHBondContact O-N 3.32Å
339F98.1Very high96.1Very high39 Ų3943.3 Ų43.317%0.17122%0.223CC..Hα-helixtrans-57.2-35.4-178.9179.5-109.3000113.5K341 I342 R343 V361 Y362 S363 E364 Q367F339-K341 VanDerWaalsContact C-N 3.29Å; F339-K341 PolarHBondContact O-N 3.27Å; F339-I342 WeakPolarHBondContact O-CB 3.42Å; F339-I342 PolarHBondContact O-N 3.23Å; F339-R343 PolarHBondContact O-N 3.16Å; F339-V361 HydrophobicContact CE2-CG2 4.21Å; F339-Y362 VanDerWaalsContact CZ-O 3.27Å; F339-Y362 WeakPolarHBondContact CZ-O 3.45Å; F339-S363 WeakPolarHBondContact CE2-O 3.46Å; F339-E364 HydrophobicContact CB-CB 4.25Å; F339-E364 HydrophobicContact CG-CB 4.46Å; F339-Q367 HydrophobicContact CD2-CB 4.23Å
340A97.4Very high96.5Very high63 Ų6345.6 Ų45.652%0.52124%0.238SC..Hα-helixtrans-57.9-38.8174.900000113.2P338 R344P338-A340 PolarHBondContact O-N 3.25Å; A340-R344 PolarHBondContact O-N 3.48Å; A340-R344 VanDerWaalsContact O-N 3.13Å
341K96.6Very high96.7Very high84 Ų8447.3 Ų47.337%0.36526%0.256SS..Hα-helixtrans-70-39.7174.6-72.6-168.1179.3-177.90111.3L208 E212 P338 F339 R344 V345L208-K341 HydrophobicContact CD2-CB 4.46Å; E212-K341 IonicContact OE1-NZ 3.81Å; E212-K341 PolarHBondContact OE1-NZ 3.4Å; E212-K341 IonicContact OE2-NZ 2.98Å; E212-K341 PolarHBondContact OE2-NZ 3.37Å; P338-K341 WeakPolarHBondContact O-CB 3.41Å; P338-K341 PolarHBondContact O-N 2.96Å; F339-K341 VanDerWaalsContact C-N 3.29Å; F339-K341 PolarHBondContact O-N 3.27Å; K341-R344 PolarHBondContact O-N 2.99Å; K341-V345 WeakPolarHBondContact O-CG2 3.43Å; K341-V345 PolarHBondContact O-N 3.35Å
342I97.8Very high96.8Very high0 Ų045.2 Ų45.20%025%0.246CC..Hα-helixtrans-60.6-50.3176.5-64-52.6000110.8R205 W333 L337 P338 F339 R344 V345 Q346 V361R205-I342 HydrophobicContact CB-CD1 4Å; R205-I342 HydrophobicContact CG-CD1 4.21Å; R205-I342 HydrophobicContact CG-CG2 4.33Å; W333-I342 HydrophobicContact CE3-CD1 3.5Å; W333-I342 HydrophobicContact CE3-CG1 4.18Å; W333-I342 HydrophobicContact CZ3-CD1 3.84Å; W333-I342 HydrophobicContact CZ3-CG1 4.14Å; W333-I342 HydrophobicContact CZ3-CG2 3.97Å; L337-I342 HydrophobicContact CB-CD1 3.73Å; L337-I342 HydrophobicContact CB-CG1 4.12Å; L337-I342 HydrophobicContact CD1-CD1 3.62Å; L337-I342 HydrophobicContact CG-CD1 4.33Å; P338-I342 PolarHBondContact O-N 3.32Å; F339-I342 WeakPolarHBondContact O-CB 3.42Å; F339-I342 PolarHBondContact O-N 3.23Å; I342-R344 VanDerWaalsContact C-N 3.26Å; I342-R344 PolarHBondContact O-N 3.14Å; I342-V345 PolarHBondContact O-N 3.32Å; I342-V345 VanDerWaalsContact O-N 3.12Å; I342-Q346 HydrophobicContact CG2-CG 4.42Å; I342-Q346 WeakPolarHBondContact O-CG 3.34Å; I342-Q346 PolarHBondContact O-N 3.2Å; I342-V361 HydrophobicContact CG2-CG2 3.83Å
343R98.1Very high97Very high137 Ų13744.6 Ų44.652%0.51724%0.241SC..Hα-helixtrans-53.8-45.8175.3-171.4177.668.9-167.5-1.4111.1F339 V345 Q346 E347F339-R343 PolarHBondContact O-N 3.16Å; R343-V345 PolarHBondContact O-N 3.26Å; R343-Q346 WeakPolarHBondContact O-CB 3.4Å; R343-Q346 PolarHBondContact O-N 3.17Å; R343-E347 IonicContact NE-OE1 3.89Å; R343-E347 WeakPolarHBondContact O-CG 3.28Å; R343-E347 PolarHBondContact O-N 3.16Å
344R97.9Very high96.9Very high101 Ų10152 Ų5238%0.38128%0.276SS..Hα-helixtrans-61.8-42.4178.1-174.855.1177.3162.7-3113.2L239 A340 K341 I342 Q346 E347 L348L239-R344 HydrophobicContact CD1-CG 4.04Å; A340-R344 PolarHBondContact O-N 3.48Å; A340-R344 VanDerWaalsContact O-N 3.13Å; K341-R344 PolarHBondContact O-N 2.99Å; I342-R344 VanDerWaalsContact C-N 3.26Å; I342-R344 PolarHBondContact O-N 3.14Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; R344-E347 WeakPolarHBondContact CD-OE2 3.45Å; R344-E347 IonicContact CZ-OE2 2.89Å; R344-E347 IonicContact NH1-OE2 3.56Å; R344-E347 PolarHBondContact NH1-OE2 3.28Å; R344-L348 HydrophobicContact CG-CD1 4.26Å; R344-L348 VanDerWaalsContact O-CG 3.28Å; R344-L348 WeakPolarHBondContact O-CG 3.44Å; R344-L348 PolarHBondContact O-N 3.44Å; R344-L348 VanDerWaalsContact O-N 3.16Å
345V98.1Very high96.8Very high0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-63.4-42.7174.9172.80000110.9P204 R205 L208 L239 K341 I342 R343 E347 L348 C349P204-V345 HydrophobicContact CB-CG1 4Å; P204-V345 HydrophobicContact CG-CG1 4.31Å; R205-V345 HydrophobicContact CG-CB 4.39Å; R205-V345 HydrophobicContact CG-CG1 3.96Å; L208-V345 HydrophobicContact CB-CG2 4.18Å; L208-V345 HydrophobicContact CD2-CG2 3.36Å; L208-V345 HydrophobicContact CG-CG2 4.32Å; L239-V345 HydrophobicContact CD1-CG2 3.91Å; K341-V345 WeakPolarHBondContact O-CG2 3.43Å; K341-V345 PolarHBondContact O-N 3.35Å; I342-V345 PolarHBondContact O-N 3.32Å; I342-V345 VanDerWaalsContact O-N 3.12Å; R343-V345 PolarHBondContact O-N 3.26Å; V345-E347 PolarHBondContact O-N 3.13Å; V345-L348 PolarHBondContact O-N 2.83Å; V345-C349 VanDerWaalsContact O-CB 3.24Å; V345-C349 WeakPolarHBondContact O-CB 3.33Å; V345-C349 PolarHBondContact O-N 2.97Å
346Q98.1Very high96.7Very high15 Ų1551.2 Ų51.27%0.0727%0.274CS..Hα-helixtrans-60.3-46.4179.4-68.1178.5165.400111.6I342 R343 R344 L348 C349 T350 L353 V361I342-Q346 HydrophobicContact CG2-CG 4.42Å; I342-Q346 WeakPolarHBondContact O-CG 3.34Å; I342-Q346 PolarHBondContact O-N 3.2Å; R343-Q346 WeakPolarHBondContact O-CB 3.4Å; R343-Q346 PolarHBondContact O-N 3.17Å; R344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-L348 PolarHBondContact O-N 3.4Å; Q346-C349 CarbonylContact O-C 3.58Å; Q346-C349 PolarHBondContact O-N 3.42Å; Q346-T350 WeakPolarHBondContact O-CA 3.47Å; Q346-T350 PolarHBondContact O-N 3.47Å; Q346-T350 PolarHBondContact O-OG1 3.43Å; Q346-L353 HydrophobicContact CB-CD1 3.95Å; Q346-L353 HydrophobicContact CG-CD1 3.77Å; Q346-V361 PolarHBondContact NE2-O 2.96Å; Q346-V361 VanDerWaalsContact OE1-CG2 3.32Å
347E97.6Very high96.7Very high95 Ų9549.1 Ų49.144%0.44426%0.258SS..Hα-helixtrans-54.6-51.7174.3-69.1162.8-163.900111.4R343 R344 V345 C349 T350R343-E347 IonicContact NE-OE1 3.89Å; R343-E347 WeakPolarHBondContact O-CG 3.28Å; R343-E347 PolarHBondContact O-N 3.16Å; R344-E347 WeakPolarHBondContact CD-OE2 3.45Å; R344-E347 IonicContact CZ-OE2 2.89Å; R344-E347 IonicContact NH1-OE2 3.56Å; R344-E347 PolarHBondContact NH1-OE2 3.28Å; V345-E347 PolarHBondContact O-N 3.13Å; E347-C349 VanDerWaalsContact C-N 3.3Å; E347-C349 PolarHBondContact O-N 3.18Å; E347-T350 PolarHBondContact O-OG1 2.93Å
348L97.8Very high96.8Very high32 Ų3249 Ų4917%0.16826%0.257CS..Hα-helixtrans-68.3-27.9-176.4-67.8178.6000113.8L239 R243 R344 V345 Q346L239-L348 HydrophobicContact CB-CD1 3.75Å; L239-L348 HydrophobicContact CD1-CD1 4.27Å; R243-L348 VanDerWaalsContact NH2-CD2 3.28Å; R344-L348 HydrophobicContact CG-CD1 4.26Å; R344-L348 VanDerWaalsContact O-CG 3.28Å; R344-L348 WeakPolarHBondContact O-CG 3.44Å; R344-L348 PolarHBondContact O-N 3.44Å; R344-L348 VanDerWaalsContact O-N 3.16Å; V345-L348 PolarHBondContact O-N 2.83Å; Q346-L348 PolarHBondContact O-N 3.4Å
349C98Very high96.8Very high2 Ų250.3 Ų50.31%0.01425%0.253CS..THydrogen-bonded Turntrans-117.220.6-172.3-630000113P204 C246 V345 Q346 E347 G351 A352 L353P204-C349 HydrophobicContact CB-CB 4.13Å; P204-C349 HydrophobicContact CG-CB 3.88Å; C246-C349 HydrophobicContact CB-CB 3.71Å; C246-C349 WeakPolarHBondContact CB-SG 3.26Å; C246-C349 WeakPolarHBondContact SG-CB 3.49Å; C246-C349 CovalentContact SG-SG 2.03Å; C246-C349 PolarHBondContact SG-SG 3.04Å; V345-C349 VanDerWaalsContact O-CB 3.24Å; V345-C349 WeakPolarHBondContact O-CB 3.33Å; V345-C349 PolarHBondContact O-N 2.97Å; Q346-C349 CarbonylContact O-C 3.58Å; Q346-C349 PolarHBondContact O-N 3.42Å; E347-C349 VanDerWaalsContact C-N 3.3Å; E347-C349 PolarHBondContact O-N 3.18Å; C349-G351 VanDerWaalsContact C-N 3.32Å; C349-G351 PolarHBondContact O-N 3.43Å; C349-A352 HydrophobicContact CB-CB 4.41Å; C349-A352 WeakPolarHBondContact O-CA 3.3Å; C349-A352 WeakPolarHBondContact O-CB 3.47Å; C349-A352 PolarHBondContact O-N 2.8Å; C349-L353 PolarHBondContact O-N 3.3Å
350T97.4Very high96.7Very high79 Ų7950.4 Ų50.449%0.48526%0.257SS..Hα-helixtrans-49.9-50.4-176.7-58.50000112Q346 E347 A352 L353 Q354Q346-T350 WeakPolarHBondContact O-CA 3.47Å; Q346-T350 PolarHBondContact O-N 3.47Å; Q346-T350 PolarHBondContact O-OG1 3.43Å; E347-T350 PolarHBondContact O-OG1 2.93Å; T350-A352 VanDerWaalsContact C-N 3.32Å; T350-A352 PolarHBondContact O-N 3.3Å; T350-L353 PolarHBondContact O-N 3.47Å; T350-Q354 PolarHBondContact O-N 3.16Å
351G94.8Very high96.8Very high40 Ų4047.4 Ų47.441%0.41223%0.232SC..Hα-helixtrans-62.7-3617900000113.6C349 L355C349-G351 VanDerWaalsContact C-N 3.32Å; C349-G351 PolarHBondContact O-N 3.43Å; G351-L355 WeakPolarHBondContact O-CB 3.48Å; G351-L355 PolarHBondContact O-N 3.13Å
352A96.1Very high96.8Very high3 Ų351.6 Ų51.63%0.02525%0.247CC..Hα-helixtrans-70.8-40.8176.700000111.8C246 V250 C349 T350 L356C246-A352 HydrophobicContact CB-CB 3.9Å; V250-A352 VanDerWaalsContact CG2-CA 3.49Å; V250-A352 HydrophobicContact CG2-CB 3.76Å; C349-A352 HydrophobicContact CB-CB 4.41Å; C349-A352 WeakPolarHBondContact O-CA 3.3Å; C349-A352 WeakPolarHBondContact O-CB 3.47Å; C349-A352 PolarHBondContact O-N 2.8Å; T350-A352 VanDerWaalsContact C-N 3.32Å; T350-A352 PolarHBondContact O-N 3.3Å; A352-L356 HydrophobicContact CB-CD1 4.45Å; A352-L356 WeakPolarHBondContact O-CB 3.26Å; A352-L356 WeakPolarHBondContact O-CG 3.35Å; A352-L356 PolarHBondContact O-N 2.91Å
353L97.1Very high96.8Very high7 Ų753.5 Ų53.54%0.03726%0.26CS..Hα-helixtrans-61-48.2175.4-68.3173.1000110.8P204 Q346 C349 T350 G357 Y358P204-L353 HydrophobicContact CG-CD2 3.58Å; P204-L353 HydrophobicContact CG-CG 4.11Å; Q346-L353 HydrophobicContact CB-CD1 3.95Å; Q346-L353 HydrophobicContact CG-CD1 3.77Å; C349-L353 PolarHBondContact O-N 3.3Å; T350-L353 PolarHBondContact O-N 3.47Å; L353-G357 PolarHBondContact O-N 3.07Å; L353-G357 VanDerWaalsContact O-N 3.1Å; L353-Y358 VanDerWaalsContact CD2-CB 3.49Å; L353-Y358 HydrophobicContact CD2-CD2 4.17Å; L353-Y358 HydrophobicContact CD2-CG 4.18Å; L353-Y358 PolarHBondContact O-N 3.24Å
354Q94.9Very high96.8Very high163 Ų16351.2 Ų51.276%0.76226%0.255SS*.Hα-helixtrans-63.3-52.4179.9-174.6178.95.900112.1T350 L356 G357T350-Q354 PolarHBondContact O-N 3.16Å; Q354-L356 VanDerWaalsContact C-N 3.34Å; Q354-L356 PolarHBondContact O-N 3.06Å; Q354-G357 PolarHBondContact O-N 3.02Å
355L93.7Very high96.8Very high70 Ų7052.6 Ų52.637%0.36627%0.27SS..Hα-helixtrans-64.3-37.9-176-178.166.3000112.5V250 A253 E254 G351V250-L355 HydrophobicContact CB-CD2 4.34Å; V250-L355 HydrophobicContact CG1-CD2 4.15Å; V250-L355 HydrophobicContact CG2-CD2 4.31Å; A253-L355 HydrophobicContact CB-CD2 3.79Å; E254-L355 HydrophobicContact CG-CD2 3.88Å; G351-L355 WeakPolarHBondContact O-CB 3.48Å; G351-L355 PolarHBondContact O-N 3.13Å
356L93.6Very high96.8Very high11 Ų1155.9 Ų55.96%0.05829%0.286CS..Hα-helixtrans-92.40.7-175.3-53.8175.3000113V201 H249 A253 L270 R272 A352 Q354 Y358V201-L356 HydrophobicContact CB-CD1 3.99Å; V201-L356 HydrophobicContact CG1-CD1 4.21Å; V201-L356 HydrophobicContact CG1-CD2 4.21Å; V201-L356 HydrophobicContact CG2-CD1 4.16Å; V201-L356 HydrophobicContact CG2-CD2 4.21Å; H249-L356 HydrophobicContact CB-CD1 4.19Å; A253-L356 HydrophobicContact CB-CD2 4.33Å; L270-L356 HydrophobicContact CD1-CD2 4Å; R272-L356 VanDerWaalsContact CD-O 3.23Å; R272-L356 WeakPolarHBondContact CD-O 3.4Å; R272-L356 PolarHBondContact NH1-O 3.4Å; A352-L356 HydrophobicContact CB-CD1 4.45Å; A352-L356 WeakPolarHBondContact O-CB 3.26Å; A352-L356 WeakPolarHBondContact O-CG 3.35Å; A352-L356 PolarHBondContact O-N 2.91Å; Q354-L356 VanDerWaalsContact C-N 3.34Å; Q354-L356 PolarHBondContact O-N 3.06Å; L356-Y358 HydrophobicContact CB-CD2 3.79Å; L356-Y358 HydrophobicContact CB-CE2 3.46Å; L356-Y358 VanDerWaalsContact CB-CE2 3.46Å; L356-Y358 HydrophobicContact CD1-CE2 4.06Å; L356-Y358 HydrophobicContact CG-CE2 4.43Å
357G95.3Very high96.7Very high11 Ų1155.2 Ų55.211%0.11328%0.282CS..THydrogen-bonded Turntrans7543.1174.500000113.9L353 Q354 L376L353-G357 PolarHBondContact O-N 3.07Å; L353-G357 VanDerWaalsContact O-N 3.1Å; Q354-G357 PolarHBondContact O-N 3.02Å; G357-L376 WeakPolarHBondContact O-CB 3.28Å; G357-L376 PolarHBondContact O-N 3.39Å
358Y96.8Very high96.7Very high3 Ų355.2 Ų55.21%0.01228%0.278CS..BIsolated β-bridgetrans-107124.5172.2-58.2-65.1000110.6R202 D203 E274 L353 L356 L374 V375R202-Y358 WeakPolarHBondContact CA-OH 3.34Å; D203-Y358 HydrophobicContact CB-CD1 4.03Å; D203-Y358 HydrophobicContact CB-CE1 3.97Å; D203-Y358 HydrophobicContact CB-CG 4.41Å; D203-Y358 PolarHBondContact N-OH 3.29Å; E274-Y358 HydrophobicContact CG-CE1 4.25Å; E274-Y358 PolarHBondContact OE2-OH 2.98Å; L353-Y358 VanDerWaalsContact CD2-CB 3.49Å; L353-Y358 HydrophobicContact CD2-CD2 4.17Å; L353-Y358 HydrophobicContact CD2-CG 4.18Å; L353-Y358 PolarHBondContact O-N 3.24Å; L356-Y358 HydrophobicContact CB-CD2 3.79Å; L356-Y358 HydrophobicContact CB-CE2 3.46Å; L356-Y358 VanDerWaalsContact CB-CE2 3.46Å; L356-Y358 HydrophobicContact CD1-CE2 4.06Å; L356-Y358 HydrophobicContact CG-CE2 4.43Å; Y358-L374 CarbonylContact C-O 3.5Å; Y358-L374 WeakPolarHBondContact CA-O 3.42Å; Y358-V375 HydrophobicContact CD1-CG2 4.4Å; Y358-V375 HydrophobicContact CE1-CG2 4.48Å
359R97Very high96.6Very high102 Ų10257.6 Ų57.639%0.38529%0.291SS..  trans-75.9129.9178.8-174179.4-76.9160.5-10.4110.6R205 D373 L374 L376R205-R359 PolarHBondContact NH1-O 2.8Å; R205-R359 PolarHBondContact NH2-O 3.5Å; R359-D373 PolarHBondContact NH1-O 3.27Å; R359-L374 HydrophobicContact CB-CD2 4.16Å; R359-L374 HydrophobicContact CG-CD2 4.39Å; R359-L374 PolarHBondContact N-O 3.19Å; R359-L376 HydrophobicContact CB-CD2 4.32Å
360P97.4Very high96.4Very high40 Ų4061.8 Ų61.826%0.2631%0.313SS..  trans-69155.2170.730.4-34.9000111.1Y362P360-Y362 HydrophobicContact CB-CE2 4.44Å; P360-Y362 HydrophobicContact CG-CE2 3.99Å; P360-Y362 VanDerWaalsContact CG-OH 3.25Å; P360-Y362 WeakPolarHBondContact CG-OH 3.5Å
361V98Very high96.3Very high0 Ų062.4 Ų62.40%033%0.326CS..  trans-113.5143.1169.7-66.60000109.8F339 I342 Q346 E366 Q367 L372 L374F339-V361 HydrophobicContact CE2-CG2 4.21Å; I342-V361 HydrophobicContact CG2-CG2 3.83Å; Q346-V361 PolarHBondContact NE2-O 2.96Å; Q346-V361 VanDerWaalsContact OE1-CG2 3.32Å; V361-E366 WeakPolarHBondContact CA-OE2 3.49Å; V361-E366 HydrophobicContact CB-CB 3.96Å; V361-E366 HydrophobicContact CG1-CB 4.08Å; V361-Q367 HydrophobicContact CG2-CB 4.07Å; V361-L372 HydrophobicContact CG1-CD2 4.47Å; V361-L374 HydrophobicContact CG1-CD1 3.82Å; V361-L374 HydrophobicContact CG1-CD2 3.58Å; V361-L374 HydrophobicContact CG1-CG 4.38Å
362Y97.6Very high96.3Very high173 Ų17362.6 Ų62.668%0.67832%0.317SS*.  trans-114.6-7.6-172.3-59.8-77.8000113.8F339 P360 E366F339-Y362 VanDerWaalsContact CZ-O 3.27Å; F339-Y362 WeakPolarHBondContact CZ-O 3.45Å; P360-Y362 HydrophobicContact CB-CE2 4.44Å; P360-Y362 HydrophobicContact CG-CE2 3.99Å; P360-Y362 VanDerWaalsContact CG-OH 3.25Å; P360-Y362 WeakPolarHBondContact CG-OH 3.5Å; Y362-E366 PolarHBondContact N-OE2 3.43Å
363S98.1Very high96.1Very high39 Ų3965.3 Ų65.327%0.27333%0.332SS..SBendtrans-140.1165.3173.8700000112F339 D365 E366 Q367F339-S363 WeakPolarHBondContact CE2-O 3.46Å; S363-D365 VanDerWaalsContact C-N 3.27Å; S363-E366 PolarHBondContact O-N 2.95Å; S363-E366 WeakPolarHBondContact OG-CG 3.38Å; S363-E366 PolarHBondContact OG-N 2.87Å; S363-Q367 WeakPolarHBondContact O-CB 3.42Å; S363-Q367 PolarHBondContact O-N 3.48Å
364E97.6Very high96.1Very high90 Ų9065.5 Ų65.542%0.42133%0.333SS..Hα-helixtrans-64.8-33.6172.3-175.2166.3-177.500111.8F339 Q367 R368F339-E364 HydrophobicContact CB-CB 4.25Å; F339-E364 HydrophobicContact CG-CB 4.46Å; E364-Q367 WeakPolarHBondContact O-CB 3.2Å; E364-Q367 PolarHBondContact O-N 2.68Å; E364-R368 HydrophobicContact CG-CG 4.35Å; E364-R368 WeakPolarHBondContact O-CB 3.4Å; E364-R368 VanDerWaalsContact O-CG 3.31Å; E364-R368 WeakPolarHBondContact O-CG 3.4Å; E364-R368 PolarHBondContact O-N 3.37Å; E364-R368 IonicContact OE1-CZ 2.69Å; E364-R368 IonicContact OE1-NE 3.12Å; E364-R368 PolarHBondContact OE1-NE 2.86Å; E364-R368 IonicContact OE1-NH2 3.86Å; E364-R368 PolarHBondContact OE1-NH2 3.3Å
365D97.8Very high96Very high129 Ų12958.7 Ų58.769%0.6930%0.302SS*.Hα-helixtrans-64.4-47.7175.3-64.1-32.5000111.3S363 Q367 R368 N369S363-D365 VanDerWaalsContact C-N 3.27Å; D365-Q367 VanDerWaalsContact C-N 3.29Å; D365-Q367 PolarHBondContact O-N 3.36Å; D365-R368 PolarHBondContact O-N 3.4Å; D365-N369 VanDerWaalsContact O-CB 3.27Å; D365-N369 WeakPolarHBondContact O-CB 3.31Å; D365-N369 PolarHBondContact O-N 3.06Å
366E97.9Very high95.9Very high70 Ų7058.3 Ų58.333%0.32730%0.3SS..Hα-helixtrans-60.4-41.2173-75.6-179.8-166.700111.3R334 V361 Y362 S363 R368 L372R334-E366 PolarHBondContact NH2-O 2.71Å; V361-E366 WeakPolarHBondContact CA-OE2 3.49Å; V361-E366 HydrophobicContact CB-CB 3.96Å; V361-E366 HydrophobicContact CG1-CB 4.08Å; Y362-E366 PolarHBondContact N-OE2 3.43Å; S363-E366 PolarHBondContact O-N 2.95Å; S363-E366 WeakPolarHBondContact OG-CG 3.38Å; S363-E366 PolarHBondContact OG-N 2.87Å; E366-R368 VanDerWaalsContact C-N 3.33Å; E366-R368 PolarHBondContact O-N 3.47Å; E366-L372 HydrophobicContact CB-CD2 4.14Å; E366-L372 HydrophobicContact CG-CD2 4.33Å
367Q97Very high95.5Very high0 Ų063.2 Ų63.20%033%0.333CS..Hα-helixtrans-59-44.2175.7179.9-173.3-39.200111.3W333 R334 L337 F339 V361 S363 E364 D365W333-Q367 HydrophobicContact CZ3-CG 4.08Å; R334-Q367 VanDerWaalsContact CB-O 3.31Å; R334-Q367 WeakPolarHBondContact CB-O 3.34Å; R334-Q367 PolarHBondContact NE-O 2.6Å; R334-Q367 PolarHBondContact NH2-O 2.77Å; R334-Q367 WeakPolarHBondContact O-CG 3.09Å; R334-Q367 PolarHBondContact O-NE2 3.11Å; L337-Q367 PolarHBondContact O-NE2 3.06Å; F339-Q367 HydrophobicContact CD2-CB 4.23Å; V361-Q367 HydrophobicContact CG2-CB 4.07Å; S363-Q367 WeakPolarHBondContact O-CB 3.42Å; S363-Q367 PolarHBondContact O-N 3.48Å; E364-Q367 WeakPolarHBondContact O-CB 3.2Å; E364-Q367 PolarHBondContact O-N 2.68Å; D365-Q367 VanDerWaalsContact C-N 3.29Å; D365-Q367 PolarHBondContact O-N 3.36Å
368R96.8Very high94.2Very high96 Ų9667.3 Ų67.336%0.36235%0.345SS..Hα-helixtrans-86.1-16-173.2-67.5178.7-176.8-73.40.7114H335 E364 D365 E366 L370H335-R368 PolarHBondContact CE1-O 3.37Å; H335-R368 VanDerWaalsContact CE1-O 3.26Å; E364-R368 HydrophobicContact CG-CG 4.35Å; E364-R368 WeakPolarHBondContact O-CB 3.4Å; E364-R368 VanDerWaalsContact O-CG 3.31Å; E364-R368 WeakPolarHBondContact O-CG 3.4Å; E364-R368 PolarHBondContact O-N 3.37Å; E364-R368 IonicContact OE1-CZ 2.69Å; E364-R368 IonicContact OE1-NE 3.12Å; E364-R368 PolarHBondContact OE1-NE 2.86Å; E364-R368 IonicContact OE1-NH2 3.86Å; E364-R368 PolarHBondContact OE1-NH2 3.3Å; D365-R368 PolarHBondContact O-N 3.4Å; E366-R368 VanDerWaalsContact C-N 3.33Å; E366-R368 PolarHBondContact O-N 3.47Å; R368-L370 PolarHBondContact O-N 3.27Å
369N96.6Very high92.2Very high82 Ų8269.7 Ų69.744%0.43937%0.371SS..  trans-73.891.1-177.9-179.5-0000113.2R334 D365 A371 L372R334-N369 PolarHBondContact NH1-O 3.15Å; R334-N369 VanDerWaalsContact NH2-C 3.3Å; R334-N369 PolarHBondContact NH2-O 3.17Å; D365-N369 VanDerWaalsContact O-CB 3.27Å; D365-N369 WeakPolarHBondContact O-CB 3.31Å; D365-N369 PolarHBondContact O-N 3.06Å; N369-A371 PolarHBondContact O-N 3.12Å; N369-A371 WeakPolarHBondContact OD1-CB 3.28Å; N369-A371 PolarHBondContact OD1-N 3.28Å; N369-L372 HydrophobicContact CB-CB 4.35Å; N369-L372 WeakPolarHBondContact O-CB 3.4Å; N369-L372 PolarHBondContact O-N 3.39Å
370L93.4Very high89.5Confident89 Ų8973.8 Ų73.847%0.46640%0.399SS..THydrogen-bonded Turntrans-59.5-19-180-61.6-174000115.2Q331 R334 H335 R368 L372Q331-L370 HydrophobicContact CB-CD2 4.49Å; R334-L370 HydrophobicContact CB-CD2 4.27Å; H335-L370 WeakPolarHBondContact NE2-CD2 3.44Å; H335-L370 WeakPolarHBondContact NE2-CG 3.49Å; R368-L370 PolarHBondContact O-N 3.27Å; L370-L372 VanDerWaalsContact C-N 3.32Å
371A94.3Very high86.8Confident93 Ų9379.2 Ų79.277%0.76943%0.426SS*.THydrogen-bonded Turntrans-76.3-19.7174.300000113.1N369 D373N369-A371 PolarHBondContact O-N 3.12Å; N369-A371 WeakPolarHBondContact OD1-CB 3.28Å; N369-A371 PolarHBondContact OD1-N 3.28Å; A371-D373 PolarHBondContact O-N 3.2Å
372L94.7Very high84.1Confident43 Ų4381 Ų8123%0.22544%0.444CS..SBendtrans-74.1114.4173.5-179.264.4000109.8R334 V361 E366 N369 L370 L374R334-L372 PolarHBondContact NH1-O 2.89Å; V361-L372 HydrophobicContact CG1-CD2 4.47Å; E366-L372 HydrophobicContact CB-CD2 4.14Å; E366-L372 HydrophobicContact CG-CD2 4.33Å; N369-L372 HydrophobicContact CB-CB 4.35Å; N369-L372 WeakPolarHBondContact O-CB 3.4Å; N369-L372 PolarHBondContact O-N 3.39Å; L370-L372 VanDerWaalsContact C-N 3.32Å; L372-L374 HydrophobicContact CD2-CD2 3.75Å; L372-L374 HydrophobicContact CG-CD2 3.84Å; L372-L374 PolarHBondContact O-N 2.94Å
373D93.4Very high81.5Confident61 Ų6177.4 Ų77.433%0.32643%0.432SS..  trans-72.6123.2172.8-156.1-21.1000110.5R278 R359 A371 V375R278-D373 IonicContact CZ-OD2 3.79Å; R278-D373 IonicContact NH1-OD2 3.95Å; R278-D373 PolarHBondContact NH1-OD2 2.88Å; R278-D373 VanDerWaalsContact NH2-CG 3.29Å; R278-D373 IonicContact NH2-OD1 3.15Å; R278-D373 PolarHBondContact NH2-OD1 2.79Å; R278-D373 IonicContact NH2-OD2 3.48Å; R278-D373 PolarHBondContact NH2-OD2 3.25Å; R359-D373 PolarHBondContact NH1-O 3.27Å; A371-D373 PolarHBondContact O-N 3.2Å; D373-V375 PolarHBondContact OD1-N 3.11Å
374L95.6Very high78.8Confident10 Ų1081.3 Ų81.35%0.05245%0.454CS..  trans-105.5-1.6179.3-59.9-177.2000112.8W333 Y358 R359 V361 L372W333-L374 HydrophobicContact CH2-CD1 3.64Å; W333-L374 HydrophobicContact CZ2-CD1 3.62Å; Y358-L374 CarbonylContact C-O 3.5Å; Y358-L374 WeakPolarHBondContact CA-O 3.42Å; R359-L374 HydrophobicContact CB-CD2 4.16Å; R359-L374 HydrophobicContact CG-CD2 4.39Å; R359-L374 PolarHBondContact N-O 3.19Å; V361-L374 HydrophobicContact CG1-CD1 3.82Å; V361-L374 HydrophobicContact CG1-CD2 3.58Å; V361-L374 HydrophobicContact CG1-CG 4.38Å; L372-L374 HydrophobicContact CD2-CD2 3.75Å; L372-L374 HydrophobicContact CG-CD2 3.84Å; L372-L374 PolarHBondContact O-N 2.94Å
375V94.5Very high76.2Confident21 Ų2181.4 Ų81.413%0.12745%0.451CS..BIsolated β-bridgetrans-108.7107176.6-175.60000107.3E274 Y358 D373E274-V375 HydrophobicContact CB-CG1 4.36Å; E274-V375 HydrophobicContact CB-CG2 3.71Å; E274-V375 HydrophobicContact CG-CG2 3.85Å; Y358-V375 HydrophobicContact CD1-CG2 4.4Å; Y358-V375 HydrophobicContact CE1-CG2 4.48Å; D373-V375 PolarHBondContact OD1-N 3.11Å
376L91.6Very high73.1Confident62 Ų6279.6 Ų79.633%0.32545%0.454SS..PPolyproline II helixtrans-69.2148.5179.1-59.1176.6000109.5R272 G357 R359 R378R272-L376 PolarHBondContact NH1-O 2.91Å; R272-L376 PolarHBondContact NH2-O 3.17Å; R272-L376 VanDerWaalsContact NH2-O 3.07Å; G357-L376 WeakPolarHBondContact O-CB 3.28Å; G357-L376 PolarHBondContact O-N 3.39Å; R359-L376 HydrophobicContact CB-CD2 4.32Å; L376-R378 PolarHBondContact O-N 3.5Å
377P83.4Confident70.3Confident114 Ų11481.2 Ų81.274%0.7447%0.473SS*.PPolyproline II helixtrans-49.9144.3167.9-24.333.5000109.5G379P377-G379 PolarHBondContact O-N 3.11Å
378R69.4Low67.6Low96 Ų9687 Ų8736%0.36251%0.514SS..PPolyproline II helixtrans-55.8119.4168.9-63.2-177.2-171160.36.2105.7D275 E283 L376D275-R378 IonicContact OD2-CZ 2.71Å; D275-R378 IonicContact OD2-NE 3.94Å; D275-R378 PolarHBondContact OD2-NE 3.14Å; D275-R378 IonicContact OD2-NH2 3.91Å; D275-R378 PolarHBondContact OD2-NH2 2.92Å; E283-R378 IonicContact OE1-CZ 3.27Å; E283-R378 IonicContact OE1-NH1 3.33Å; E283-R378 IonicContact OE1-NH2 3.78Å; E283-R378 PolarHBondContact OE1-NH2 2.99Å; E283-R378 IonicContact OE2-CZ 3.85Å; E283-R378 IonicContact OE2-NH1 3.59Å; E283-R378 IonicContact OE2-NH2 3.01Å; E283-R378 PolarHBondContact OE2-NH2 3.04Å; L376-R378 PolarHBondContact O-N 3.5Å
379G54.1Low64.9Low54 Ų5488.2 Ų88.256%0.55753%0.532SS*.PPolyproline II helixtrans-51.1150.3176.900000109.2P377 N381 G382P377-G379 PolarHBondContact O-N 3.11Å; G379-N381 CarbonylContact O-C 3.2Å; G379-N381 PolarHBondContact O-N 3.38Å; G379-G382 PolarHBondContact O-N 3.02Å
380L39.8Very low62Low188 Ų18890 Ų9098%0.98455%0.55SS**THydrogen-bonded Turntrans-53.1-6.1-177-81.6151000115.1G382L380-G382 VanDerWaalsContact C-N 3.27Å; L380-G382 PolarHBondContact O-N 3.44Å
381N40.8Very low59.1Low154 Ų15491.2 Ų91.282%0.82457%0.567SS**THydrogen-bonded Turntrans-89.832.4163.3-66.1-15.3000113.1G379 F383G379-N381 CarbonylContact O-C 3.2Å; G379-N381 PolarHBondContact O-N 3.38Å; N381-F383 PolarHBondContact O-N 3.18Å
382G41.3Very low56.2Low36 Ų3695.2 Ų95.237%0.37157%0.569SS.*  trans-6488.4171.100000108.4G379 L380 T384G379-G382 PolarHBondContact O-N 3.02Å; L380-G382 VanDerWaalsContact C-N 3.27Å; L380-G382 PolarHBondContact O-N 3.44Å; G382-T384 PolarHBondContact O-N 2.84Å; G382-T384 PolarHBondContact O-OG1 3.13Å
383F44.5Very low53.8Low99 Ų9999 Ų9943%0.43460%0.596SS.*  trans-44.198-170.8-131.8-114.3000111.4P260 N381 W385P260-F383 HydrophobicContact CG-CE1 4.23Å; P260-F383 HydrophobicContact CG-CZ 3.97Å; N381-F383 PolarHBondContact O-N 3.18Å; F383-W385 AromaticContact CD1-CD1 3.96Å; F383-W385 HydrophobicContact CD1-CD2 4.46Å; F383-W385 AromaticContact CD1-CE2 3.8Å; F383-W385 HydrophobicContact CD1-CZ2 4.23Å; F383-W385 AromaticContact CD1-NE1 3.42Å; F383-W385 HydrophobicContact CE1-CD2 4.16Å; F383-W385 AromaticContact CE1-CE2 3.24Å; F383-W385 HydrophobicContact CE1-CH2 4.08Å; F383-W385 AromaticContact CE1-CZ2 3.23Å; F383-W385 HydrophobicContact CE1-CZ2 3.23Å; F383-W385 AromaticContact CE1-NE1 3.25Å; F383-W385 VanDerWaalsContact CE1-NE1 3.25Å; F383-W385 HydrophobicContact CZ-CH2 4.2Å; F383-W385 AromaticContact CZ-CZ2 3.74Å; F383-W385 HydrophobicContact CZ-CZ2 3.74Å
384T40Very low51.2Low121 Ų121107.6 Ų107.674%0.74262%0.624SS**  trans-108.6103.4167.532.30000105G382 A386G382-T384 PolarHBondContact O-N 2.84Å; G382-T384 PolarHBondContact O-OG1 3.13Å; T384-A386 PolarHBondContact O-N 2.93Å
385W42.5Very low48.7Very low91 Ų91119.6 Ų119.635%0.34568%0.679SS.*  trans-68.596.9158.7-65.3109.9000105.3P260 R265 G266 F383 S387P260-W385 HydrophobicContact CB-CZ2 4.46Å; P260-W385 HydrophobicContact CG-CH2 4.39Å; P260-W385 HydrophobicContact CG-CZ2 3.93Å; R265-W385 HydrophobicContact CB-CD2 4.39Å; R265-W385 HydrophobicContact CB-CZ2 4.22Å; R265-W385 HydrophobicContact CG-CD2 3.59Å; R265-W385 HydrophobicContact CG-CE3 3.66Å; R265-W385 HydrophobicContact CG-CG 4.03Å; R265-W385 HydrophobicContact CG-CH2 4.27Å; R265-W385 HydrophobicContact CG-CZ2 4.16Å; R265-W385 HydrophobicContact CG-CZ3 4.03Å; G266-W385 VanDerWaalsContact N-CD1 3.31Å; F383-W385 AromaticContact CD1-CD1 3.96Å; F383-W385 HydrophobicContact CD1-CD2 4.46Å; F383-W385 AromaticContact CD1-CE2 3.8Å; F383-W385 HydrophobicContact CD1-CZ2 4.23Å; F383-W385 AromaticContact CD1-NE1 3.42Å; F383-W385 HydrophobicContact CE1-CD2 4.16Å; F383-W385 AromaticContact CE1-CE2 3.24Å; F383-W385 HydrophobicContact CE1-CH2 4.08Å; F383-W385 AromaticContact CE1-CZ2 3.23Å; F383-W385 HydrophobicContact CE1-CZ2 3.23Å; F383-W385 AromaticContact CE1-NE1 3.25Å; F383-W385 VanDerWaalsContact CE1-NE1 3.25Å; F383-W385 HydrophobicContact CZ-CH2 4.2Å; F383-W385 AromaticContact CZ-CZ2 3.74Å; F383-W385 HydrophobicContact CZ-CZ2 3.74Å; W385-S387 PolarHBondContact O-N 3.26Å
386A34.4Very low46.4Very low91 Ų91124.6 Ų124.675%0.75271%0.707SS**  trans-50.5130.9172.600000108.8T384 S388T384-A386 PolarHBondContact O-N 2.93Å; A386-S388 PolarHBondContact O-N 2.91Å
387S38.1Very low44Very low104 Ų104127.8 Ų127.873%0.72773%0.727SS**  trans-64.2122.517547.50000109.5W385 T389W385-S387 PolarHBondContact O-N 3.26Å; S387-T389 VanDerWaalsContact C-N 3.28Å; S387-T389 PolarHBondContact O-N 3.12Å
388S39.9Very low41.8Very low123 Ų123128.6 Ų128.686%0.8673%0.726SS**  trans-75.783.5168.244.50000109.5A386A386-S388 PolarHBondContact O-N 2.91Å
389T41.6Very low40.2Very low120 Ų120130.5 Ų130.574%0.73675%0.748SS**  trans-146.392.5163.427.50000110.1S387S387-T389 VanDerWaalsContact C-N 3.28Å; S387-T389 PolarHBondContact O-N 3.12Å
390S34.4Very low39.3Very low119 Ų119135.3 Ų135.383%0.83276%0.76SS**  trans-167.677145.947.80000110.5
391S32.7Very low39.3Very low116 Ų116131.8 Ų131.881%0.81175%0.745SS**  trans-105.690151.657.80000107.3
392H33.1Very low39.2Very low176 Ų176130.2 Ų130.282%0.81574%0.739SS**PPolyproline II helixtrans-79.9134.1157.6-90.837.8000108.2
393P43.8Very low39Very low122 Ų122137.5 Ų137.579%0.79277%0.767SS**PPolyproline II helixtrans-74.3130.3169.431-28.8000108.3
394R40.5Very low38.5Very low243 Ų243140.7 Ų140.792%0.91780%0.795SS**PPolyproline II helixtrans-90.1134.5159.5-67.9-169.6-153.6-1636.2107.7
395H41.2Very low38.4Very low262 Ų262142.5 Ų142.5100%1.21380%0.8SS**  trans-50.20164.3-78.2-77.3000112.6

Retrieved 395 of 395 residues in 142.6 ms (Link to these results)

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