A0A096LSA0_POEFO Loading...

unspecific monooxygenase

Putative steroid 6-beta-hydroxylase.

AlphaFold DB , UniProt , Accession A0A096LSA0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 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
1M46.8Very low72.7Confident217 Ų217120.2 Ų120.2100%1.06963%0.628SS**  094.20-130.6178.586.800105.5F3M1-F3 PolarHBondContact O-N 3.24Å
2D51.2Low74.3Confident128 Ų128118.1 Ų118.168%0.68462%0.624SS**  trans-81.192.5-159.6-63.6-23.8000111.1L4 M5D2-L4 PolarHBondContact O-N 3.1Å; D2-M5 HydrophobicContact CB-CG 3.99Å; D2-M5 PolarHBondContact O-N 2.83Å
3F55.9Low75.8Confident151 Ų151117.4 Ų117.466%0.66262%0.62SS**THydrogen-bonded Turntrans-57.5-10.2172.4-104.6-89.9000113.5M1 F6 W11M1-F3 PolarHBondContact O-N 3.24Å; F3-F6 HydrophobicContact CD1-CE2 4.38Å; F3-F6 WeakPolarHBondContact O-CD2 3.42Å; F3-W11 VanDerWaalsContact O-CZ2 3.28Å; F3-W11 WeakPolarHBondContact O-CZ2 3.3Å
4L59.3Low77Confident155 Ų155113.9 Ų113.981%0.81261%0.606SS**THydrogen-bonded Turntrans-88.7-2.3-178.4-74.6161.4000114.7D2 F6D2-L4 PolarHBondContact O-N 3.1Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 2.82Å
5M62.8Low78.1Confident165 Ų165109.9 Ų109.981%0.81360%0.595SS**  trans-87.622-177.3-72.5-80.5-9300114.6D2D2-M5 HydrophobicContact CB-CG 3.99Å; D2-M5 PolarHBondContact O-N 2.83Å
6F76.4Confident79.1Confident107 Ų107108.9 Ų108.947%0.46959%0.588SS.*SBendtrans-91.2143174.1-67.4-64.6000111.4F3 L4 T10 W11F3-F6 HydrophobicContact CD1-CE2 4.38Å; F3-F6 WeakPolarHBondContact O-CD2 3.42Å; L4-F6 VanDerWaalsContact C-N 3.3Å; L4-F6 PolarHBondContact O-N 2.82Å; F6-T10 HydrophobicContact CB-CG2 3.88Å; F6-T10 HydrophobicContact CD1-CG2 3.95Å; F6-T10 HydrophobicContact CG-CG2 4Å; F6-W11 HydrophobicContact CD2-CZ2 4.14Å; F6-W11 PolarHBondContact O-NE1 2.65Å
7S88.1Confident79.9Confident61 Ų61107.3 Ų107.343%0.42758%0.583SS.*  trans-62.9156177.562.40000111.5T9 T10 W11S7-T9 PolarHBondContact O-N 3.4Å; S7-T9 VanDerWaalsContact O-N 3.13Å; S7-T9 PolarHBondContact OG-OG1 3.42Å; S7-T10 WeakPolarHBondContact O-CB 3.32Å; S7-T10 PolarHBondContact O-N 3.04Å; S7-T10 PolarHBondContact OG-N 3.08Å; S7-T10 PolarHBondContact OG-OG1 2.65Å; S7-T10 VanDerWaalsContact OG-OG1 3.14Å; S7-W11 PolarHBondContact O-N 2.79Å; S7-W11 VanDerWaalsContact O-N 3.14Å
8A88Confident80.4Confident78 Ų78105.4 Ų105.465%0.64558%0.575SS**Hα-helixtrans-54.9-31.9174.500000112.4W11 T12A8-W11 PolarHBondContact O-N 2.91Å; A8-T12 WeakPolarHBondContact O-CB 3.23Å; A8-T12 PolarHBondContact O-N 2.89Å; A8-T12 PolarHBondContact O-OG1 2.7Å
9T89.9Confident81Confident94 Ų94103.8 Ų103.858%0.57757%0.569SS**Hα-helixtrans-63.6-44.2174500000112.1S7 T12 L13S7-T9 PolarHBondContact O-N 3.4Å; S7-T9 VanDerWaalsContact O-N 3.13Å; S7-T9 PolarHBondContact OG-OG1 3.42Å; T9-T12 PolarHBondContact O-N 2.85Å; T9-L13 WeakPolarHBondContact O-CG 3.42Å; T9-L13 PolarHBondContact O-N 3.12Å
10T90.4Very high81.5Confident52 Ų52103.6 Ų103.632%0.31957%0.566SS.*Hα-helixtrans-62-46.9175.8-59.20000111.5F6 S7 T12 L13 V14F6-T10 HydrophobicContact CB-CG2 3.88Å; F6-T10 HydrophobicContact CD1-CG2 3.95Å; F6-T10 HydrophobicContact CG-CG2 4Å; S7-T10 WeakPolarHBondContact O-CB 3.32Å; S7-T10 PolarHBondContact O-N 3.04Å; S7-T10 PolarHBondContact OG-N 3.08Å; S7-T10 PolarHBondContact OG-OG1 2.65Å; S7-T10 VanDerWaalsContact OG-OG1 3.14Å; T10-T12 VanDerWaalsContact C-N 3.32Å; T10-T12 PolarHBondContact O-N 2.83Å; T10-L13 PolarHBondContact O-N 3.2Å; T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.32Å; T10-V14 PolarHBondContact O-N 3.28Å
11W90.9Very high81.7Confident114 Ų114101.9 Ų101.943%0.43256%0.557SS.*Hα-helixtrans-62.8-37.8177.6-73.5115.3000113F3 F6 S7 A8 V14 A15F3-W11 VanDerWaalsContact O-CZ2 3.28Å; F3-W11 WeakPolarHBondContact O-CZ2 3.3Å; F6-W11 HydrophobicContact CD2-CZ2 4.14Å; F6-W11 PolarHBondContact O-NE1 2.65Å; S7-W11 PolarHBondContact O-N 2.79Å; S7-W11 VanDerWaalsContact O-N 3.14Å; A8-W11 PolarHBondContact O-N 2.91Å; W11-V14 PolarHBondContact O-N 3.31Å; W11-A15 WeakPolarHBondContact O-CB 3.33Å; W11-A15 PolarHBondContact O-N 2.85Å
12T92.5Very high83.6Confident95 Ų9595.6 Ų95.658%0.58353%0.527SS*.Hα-helixtrans-65-44.1176.1-55.70000111.3A8 T9 T10 A15 L16A8-T12 WeakPolarHBondContact O-CB 3.23Å; A8-T12 PolarHBondContact O-N 2.89Å; A8-T12 PolarHBondContact O-OG1 2.7Å; T9-T12 PolarHBondContact O-N 2.85Å; T10-T12 VanDerWaalsContact C-N 3.32Å; T10-T12 PolarHBondContact O-N 2.83Å; T12-A15 PolarHBondContact O-N 3.44Å; T12-L16 WeakPolarHBondContact O-CB 3.43Å; T12-L16 PolarHBondContact O-N 2.87Å
13L93.4Very high85.4Confident109 Ų10993.7 Ų93.757%0.57152%0.516SS*.Hα-helixtrans-64-42.3176.2-72.1172.4000111.9T9 T10 L16 V17T9-L13 WeakPolarHBondContact O-CG 3.42Å; T9-L13 PolarHBondContact O-N 3.12Å; T10-L13 PolarHBondContact O-N 3.2Å; L13-L16 PolarHBondContact O-N 3.15Å; L13-V17 WeakPolarHBondContact O-CB 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.5Å; L13-V17 PolarHBondContact O-N 3.26Å
14V91.8Very high86.8Confident69 Ų6990 Ų9042%0.41850%0.498SS..Hα-helixtrans-61.8-47.1175.6170.90000110.7T10 W11 L16 V17 V18T10-V14 HydrophobicContact CG2-CG2 4.45Å; T10-V14 VanDerWaalsContact O-CG2 3.3Å; T10-V14 WeakPolarHBondContact O-CG2 3.32Å; T10-V14 PolarHBondContact O-N 3.28Å; W11-V14 PolarHBondContact O-N 3.31Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.32Å; V14-V17 PolarHBondContact O-N 3.15Å; V14-V18 HydrophobicContact CG1-CG2 4.36Å; V14-V18 WeakPolarHBondContact O-CB 3.37Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.48Å; V14-V18 PolarHBondContact O-N 3.12Å
15A93.7Very high88Confident53 Ų5382.6 Ų82.644%0.43846%0.46SS..Hα-helixtrans-60.9-41.1177.300000112.1W11 T12 T19W11-A15 WeakPolarHBondContact O-CB 3.33Å; W11-A15 PolarHBondContact O-N 2.85Å; T12-A15 PolarHBondContact O-N 3.44Å; A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.49Å; A15-T19 PolarHBondContact O-N 3.09Å; A15-T19 PolarHBondContact O-OG1 3.16Å
16L94.8Very high89.3Confident94 Ų9477.5 Ų77.549%0.49244%0.435SS..Hα-helixtrans-62.1-48.9175.2179.463.9000111.3T12 L13 V14 V18 T19 L20T12-L16 WeakPolarHBondContact O-CB 3.43Å; T12-L16 PolarHBondContact O-N 2.87Å; L13-L16 PolarHBondContact O-N 3.15Å; V14-L16 VanDerWaalsContact C-N 3.33Å; V14-L16 PolarHBondContact O-N 3.32Å; L16-V18 PolarHBondContact O-N 3.49Å; L16-T19 PolarHBondContact O-N 3.06Å; L16-L20 HydrophobicContact CD1-CD1 4.09Å; L16-L20 HydrophobicContact CD1-CG 4.18Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 HydrophobicContact CG-CG 4.46Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.22Å
17V91.6Very high89.8Confident82 Ų8282.2 Ų82.250%0.49745%0.45SS..Hα-helixtrans-61.1-46.6179169.10000111L13 V14 T19 L20 L21L13-V17 WeakPolarHBondContact O-CB 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.5Å; L13-V17 PolarHBondContact O-N 3.26Å; V14-V17 PolarHBondContact O-N 3.15Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 3.39Å; V17-L20 PolarHBondContact O-N 3.21Å; V17-L21 HydrophobicContact CG1-CD1 3.84Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CB 3.47Å; V17-L21 VanDerWaalsContact O-CG 3.25Å; V17-L21 WeakPolarHBondContact O-CG 3.44Å; V17-L21 PolarHBondContact O-N 3.14Å
18V89.4Confident89.8Confident74 Ų7480.7 Ų80.745%0.44844%0.439SS..Hα-helixtrans-62-42.5177.3171.80000110.9V14 L16 L21 L22V14-V18 HydrophobicContact CG1-CG2 4.36Å; V14-V18 WeakPolarHBondContact O-CB 3.37Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.48Å; V14-V18 PolarHBondContact O-N 3.12Å; L16-V18 PolarHBondContact O-N 3.49Å; V18-L21 PolarHBondContact O-N 3Å; V18-L22 HydrophobicContact CG1-CD1 4.01Å; V18-L22 HydrophobicContact CG1-CG 4.41Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.48Å; V18-L22 PolarHBondContact O-N 3.17Å
19T92.1Very high90Very high74 Ų7478.3 Ų78.345%0.45441%0.414SS..Hα-helixtrans-64-46.3178-58.30000111.5A15 L16 V17 L21 L22 L23A15-T19 VanDerWaalsContact O-CB 3.29Å; A15-T19 WeakPolarHBondContact O-CB 3.49Å; A15-T19 PolarHBondContact O-N 3.09Å; A15-T19 PolarHBondContact O-OG1 3.16Å; L16-T19 PolarHBondContact O-N 3.06Å; V17-T19 VanDerWaalsContact C-N 3.33Å; V17-T19 PolarHBondContact O-N 3.39Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 3.48Å; T19-L22 PolarHBondContact O-N 3.08Å; T19-L23 HydrophobicContact CG2-CD1 4.13Å; T19-L23 HydrophobicContact CG2-CG 4.42Å; T19-L23 WeakPolarHBondContact O-CB 3.38Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.39Å; T19-L23 PolarHBondContact O-N 3.38Å
20L91Very high90.1Very high99 Ų9981.7 Ų81.752%0.51842%0.416SS..Hα-helixtrans-62.9-40.1176.8-71.7174.5000111.8L16 V17 L23 Y24L16-L20 HydrophobicContact CD1-CD1 4.09Å; L16-L20 HydrophobicContact CD1-CG 4.18Å; L16-L20 HydrophobicContact CG-CD1 4.01Å; L16-L20 HydrophobicContact CG-CG 4.46Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.22Å; V17-L20 PolarHBondContact O-N 3.21Å; L20-L23 PolarHBondContact O-N 2.84Å; L20-Y24 WeakPolarHBondContact O-CB 3.42Å; L20-Y24 PolarHBondContact O-N 2.84Å
21L86Confident90.3Very high69 Ų6981.8 Ų81.836%0.36141%0.412SS..Hα-helixtrans-63.4-45.1174.4-75.3171.7000111.5V17 V18 T19 Y24 G25 F45V17-L21 HydrophobicContact CG1-CD1 3.84Å; V17-L21 HydrophobicContact CG1-CG 4.38Å; V17-L21 WeakPolarHBondContact O-CB 3.47Å; V17-L21 VanDerWaalsContact O-CG 3.25Å; V17-L21 WeakPolarHBondContact O-CG 3.44Å; V17-L21 PolarHBondContact O-N 3.14Å; V18-L21 PolarHBondContact O-N 3Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 3.48Å; L21-Y24 WeakPolarHBondContact O-CB 3.38Å; L21-Y24 PolarHBondContact O-N 3.29Å; L21-G25 PolarHBondContact O-N 3.3Å; L21-F45 HydrophobicContact CB-CZ 4.4Å; L21-F45 WeakPolarHBondContact O-CZ 3.37Å
22L87Confident90.5Very high84 Ų8476.7 Ų76.744%0.4439%0.393SS..Hα-helixtrans-62.1-46.9176.2-74.2172.1000111.5V18 T19 Y24 G25 I26 F45V18-L22 HydrophobicContact CG1-CD1 4.01Å; V18-L22 HydrophobicContact CG1-CG 4.41Å; V18-L22 WeakPolarHBondContact O-CB 3.5Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.48Å; V18-L22 PolarHBondContact O-N 3.17Å; T19-L22 PolarHBondContact O-N 3.08Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.2Å; L22-G25 PolarHBondContact O-N 2.93Å; L22-G25 VanDerWaalsContact O-N 3.12Å; L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.1Å; L22-I26 PolarHBondContact O-N 3.03Å; L22-I26 VanDerWaalsContact O-N 3.09Å; L22-F45 HydrophobicContact CD2-CE2 4.34Å
23L88.7Confident90.5Very high88 Ų8881 Ų8146%0.46140%0.404SS..Hα-helixtrans-59-42.2175.8-73.8175.5000111.6T19 L20 G25 I26 W27T19-L23 HydrophobicContact CG2-CD1 4.13Å; T19-L23 HydrophobicContact CG2-CG 4.42Å; T19-L23 WeakPolarHBondContact O-CB 3.38Å; T19-L23 VanDerWaalsContact O-CG 3.31Å; T19-L23 WeakPolarHBondContact O-CG 3.39Å; T19-L23 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 2.84Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.36Å; L23-I26 HydrophobicContact CD2-CD1 4.42Å; L23-I26 PolarHBondContact O-N 3.43Å; L23-W27 VanDerWaalsContact O-CB 3.3Å; L23-W27 WeakPolarHBondContact O-CB 3.42Å; L23-W27 PolarHBondContact O-N 3.36Å
24Y85.6Confident90.5Very high74 Ų7484.1 Ų84.129%0.2941%0.413SS..Hα-helixtrans-60.2-42.3174.4177.5-107000112.2L20 L21 L22 I26 F45 K77 P224L20-Y24 WeakPolarHBondContact O-CB 3.42Å; L20-Y24 PolarHBondContact O-N 2.84Å; L21-Y24 WeakPolarHBondContact O-CB 3.38Å; L21-Y24 PolarHBondContact O-N 3.29Å; L22-Y24 VanDerWaalsContact C-N 3.3Å; L22-Y24 PolarHBondContact O-N 3.2Å; Y24-I26 VanDerWaalsContact C-N 3.34Å; Y24-I26 PolarHBondContact O-N 3.48Å; Y24-F45 HydrophobicContact CD1-CE1 4.43Å; Y24-K77 HydrophobicContact CE1-CD 4.04Å; Y24-K77 PolarHBondContact OH-NZ 3.18Å; Y24-P224 HydrophobicContact CD2-CB 4.49Å; Y24-P224 HydrophobicContact CE1-CB 4.03Å; Y24-P224 HydrophobicContact CE1-CG 4.14Å; Y24-P224 HydrophobicContact CE2-CB 3.77Å; Y24-P224 HydrophobicContact CE2-CG 4.42Å; Y24-P224 VanDerWaalsContact CZ-CB 3.49Å; Y24-P224 WeakPolarHBondContact OH-CA 3.33Å; Y24-P224 WeakPolarHBondContact OH-CB 3.4Å
25G84.1Confident90.5Very high0 Ų083.2 Ų83.20%041%0.405CS..Hα-helixtrans-70.4-23.1179.400000114.9L21 L22 L23 H29 F45L21-G25 PolarHBondContact O-N 3.3Å; L22-G25 PolarHBondContact O-N 2.93Å; L22-G25 VanDerWaalsContact O-N 3.12Å; L23-G25 VanDerWaalsContact C-N 3.33Å; L23-G25 PolarHBondContact O-N 3.36Å; G25-H29 PolarHBondContact O-CE1 3.3Å; G25-H29 VanDerWaalsContact O-CE1 3.22Å; G25-F45 PolarHBondContact O-N 3.2Å
26I89.4Confident90.5Very high58 Ų5883.9 Ų83.930%0.29742%0.417SS..Hα-helixtrans-113.5-17.2-17571-174.3000114.7L22 L23 Y24 P28 H29 P44L22-I26 VanDerWaalsContact O-CG1 3.32Å; L22-I26 WeakPolarHBondContact O-CG1 3.1Å; L22-I26 PolarHBondContact O-N 3.03Å; L22-I26 VanDerWaalsContact O-N 3.09Å; L23-I26 HydrophobicContact CD2-CD1 4.42Å; L23-I26 PolarHBondContact O-N 3.43Å; Y24-I26 VanDerWaalsContact C-N 3.34Å; Y24-I26 PolarHBondContact O-N 3.48Å; I26-P28 VanDerWaalsContact C-CD 3.47Å; I26-P28 VanDerWaalsContact C-N 3.31Å; I26-H29 VanDerWaalsContact O-CB 3.3Å; I26-H29 WeakPolarHBondContact O-CB 3.45Å; I26-H29 PolarHBondContact O-N 2.67Å; I26-H29 VanDerWaalsContact O-N 3.11Å; I26-P44 HydrophobicContact CG2-CB 3.78Å; I26-P44 HydrophobicContact CG2-CG 3.88Å
27W87.8Confident90.5Very high205 Ų20580 Ų8078%0.77740%0.398SS*.G310 helixtrans-47.9-50.3179.6157-33.6000111.8L23 H29 R30L23-W27 VanDerWaalsContact O-CB 3.3Å; L23-W27 WeakPolarHBondContact O-CB 3.42Å; L23-W27 PolarHBondContact O-N 3.36Å; W27-H29 PolarHBondContact O-N 3.28Å; W27-H29 VanDerWaalsContact O-N 3.12Å; W27-R30 PolarHBondContact O-N 3.48Å
28P88.1Confident90.8Very high30 Ų3079.6 Ų79.620%0.19540%0.398CS..G310 helixtrans-64.5-22.3-172.3-2637.9000113.2I26 R30 F31 Y74 K77I26-P28 VanDerWaalsContact C-CD 3.47Å; I26-P28 VanDerWaalsContact C-N 3.31Å; P28-R30 PolarHBondContact O-N 3.48Å; P28-F31 WeakPolarHBondContact O-CB 3.24Å; P28-F31 PolarHBondContact O-N 2.99Å; P28-F31 VanDerWaalsContact O-N 3.09Å; P28-Y74 WeakPolarHBondContact O-CE1 3.44Å; P28-Y74 PolarHBondContact O-OH 2.92Å; P28-K77 HydrophobicContact CB-CB 4.41Å; P28-K77 VanDerWaalsContact CB-O 3.28Å; P28-K77 WeakPolarHBondContact CB-O 3.38Å; P28-K77 HydrophobicContact CG-CB 3.98Å; P28-K77 HydrophobicContact CG-CG 4.1Å
29H91Very high91.1Very high28 Ų2877.4 Ų77.413%0.1339%0.39CS..G310 helixtrans-69.4-0.9-174.6-59.1165.3000114.7G25 I26 W27 P42 L43 Y74 G76G25-H29 PolarHBondContact O-CE1 3.3Å; G25-H29 VanDerWaalsContact O-CE1 3.22Å; I26-H29 VanDerWaalsContact O-CB 3.3Å; I26-H29 WeakPolarHBondContact O-CB 3.45Å; I26-H29 PolarHBondContact O-N 2.67Å; I26-H29 VanDerWaalsContact O-N 3.11Å; W27-H29 PolarHBondContact O-N 3.28Å; W27-H29 VanDerWaalsContact O-N 3.12Å; H29-P42 HydrophobicContact CB-CB 4.45Å; H29-P42 HydrophobicContact CB-CG 3.5Å; H29-P42 VanDerWaalsContact CG-CG 3.41Å; H29-L43 PolarHBondContact CE1-O 2.84Å; H29-Y74 VanDerWaalsContact C-OH 3.25Å; H29-Y74 VanDerWaalsContact CA-CZ 3.44Å; H29-Y74 HydrophobicContact CB-CE2 4.43Å; H29-Y74 AromaticContact CD2-CD1 3.61Å; H29-Y74 AromaticContact CD2-CG 3.65Å; H29-Y74 PolarHBondContact O-OH 2.8Å; H29-G76 PolarHBondContact NE2-O 2.92Å
30R92.3Very high91.3Very high164 Ų16474.9 Ų74.962%0.61938%0.375SS*.G310 helixtrans-90.5-11.2173.7-60.1-176.9-177.4-172.31.1113.4W27 P28 K33 K34W27-R30 PolarHBondContact O-N 3.48Å; P28-R30 PolarHBondContact O-N 3.48Å; R30-K33 PolarHBondContact O-N 2.92Å; R30-K34 WeakPolarHBondContact O-CG 3.44Å; R30-K34 PolarHBondContact O-N 2.8Å; R30-K34 VanDerWaalsContact O-N 3.16Å
31F94.9Very high91.5Very high54 Ų5481.4 Ų81.424%0.23739%0.393CS..Hα-helixtrans-55-56.8-173.8176.8-99.5000113.4P28 K33 K34 I35 Y74 P79 P391 T394P28-F31 WeakPolarHBondContact O-CB 3.24Å; P28-F31 PolarHBondContact O-N 2.99Å; P28-F31 VanDerWaalsContact O-N 3.09Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 3.16Å; F31-K34 WeakPolarHBondContact O-CB 3.4Å; F31-K34 PolarHBondContact O-N 3.38Å; F31-I35 HydrophobicContact CD1-CD1 4.37Å; F31-I35 HydrophobicContact CE1-CD1 3.7Å; F31-I35 HydrophobicContact CZ-CD1 3.97Å; F31-I35 PolarHBondContact O-N 3.31Å; F31-Y74 HydrophobicContact CB-CE1 4.43Å; F31-Y74 WeakPolarHBondContact CB-OH 3.22Å; F31-Y74 PolarHBondContact N-OH 3.36Å; F31-Y74 VanDerWaalsContact N-OH 3.16Å; F31-P79 HydrophobicContact CD1-CB 3.64Å; F31-P79 HydrophobicContact CD1-CG 4.13Å; F31-P79 HydrophobicContact CE1-CB 4.14Å; F31-P79 HydrophobicContact CE1-CG 4.46Å; F31-P79 HydrophobicContact CG-CB 4.25Å; F31-P79 HydrophobicContact CG-CG 4.41Å; F31-P391 HydrophobicContact CE2-CB 4.4Å; F31-P391 HydrophobicContact CE2-CG 4.15Å; F31-P391 HydrophobicContact CZ-CB 4.29Å; F31-P391 HydrophobicContact CZ-CG 3.88Å; F31-T394 HydrophobicContact CE1-CG2 4.22Å; F31-T394 HydrophobicContact CZ-CG2 4.36Å; F31-T394 WeakPolarHBondContact CZ-OG1 3.22Å
32F95.8Very high91.8Very high7 Ų779.3 Ų79.33%0.03138%0.383CS..Hα-helixtrans-65.9-34.9-176.7-69.3-62.4000113.3K34 I35 G36 V37 L73 Y74 P79 L80 L81F32-K34 VanDerWaalsContact C-N 3.26Å; F32-K34 PolarHBondContact O-N 3.17Å; F32-I35 HydrophobicContact CD1-CD1 3.93Å; F32-I35 HydrophobicContact CD1-CG1 4.31Å; F32-I35 HydrophobicContact CE1-CD1 4.35Å; F32-I35 CarbonylContact O-C 3.52Å; F32-I35 PolarHBondContact O-N 2.77Å; F32-G36 PolarHBondContact O-N 3.04Å; F32-G36 VanDerWaalsContact O-N 3.11Å; F32-V37 CarbonylContact C-O 3.55Å; F32-V37 HydrophobicContact CB-CB 4.15Å; F32-V37 HydrophobicContact CB-CG1 4.45Å; F32-V37 WeakPolarHBondContact CB-O 3.47Å; F32-V37 HydrophobicContact CD1-CB 3.88Å; F32-V37 HydrophobicContact CD1-CG1 3.87Å; F32-V37 HydrophobicContact CG-CB 4.42Å; F32-V37 HydrophobicContact CG-CG1 4.4Å; F32-V37 PolarHBondContact O-N 3.07Å; F32-L73 VanDerWaalsContact CE2-O 3.23Å; F32-L73 WeakPolarHBondContact CE2-O 3.44Å; F32-Y74 HydrophobicContact CD2-CD2 4.33Å; F32-Y74 HydrophobicContact CD2-CE1 4.1Å; F32-Y74 AromaticContact CD2-CE2 3.53Å; F32-Y74 HydrophobicContact CD2-CE2 3.53Å; F32-Y74 AromaticContact CD2-CZ 3.38Å; F32-Y74 WeakPolarHBondContact CD2-OH 3.27Å; F32-Y74 HydrophobicContact CE2-CE1 4.08Å; F32-Y74 HydrophobicContact CE2-CE2 4.07Å; F32-Y74 AromaticContact CE2-CZ 3.82Å; F32-Y74 PolarHBondContact N-OH 3.04Å; F32-Y74 VanDerWaalsContact N-OH 3.09Å; F32-P79 HydrophobicContact CE2-CB 3.61Å; F32-P79 HydrophobicContact CZ-CB 3.65Å; F32-L80 VanDerWaalsContact CZ-C 3.48Å; F32-L80 WeakPolarHBondContact CZ-O 3.22Å; F32-L81 HydrophobicContact CE1-CB 3.98Å; F32-L81 HydrophobicContact CE1-CD1 4.08Å; F32-L81 HydrophobicContact CZ-CB 4.35Å
33K92.5Very high92Very high185 Ų18578.9 Ų78.980%0.80438%0.381SS*.Hα-helixtrans-60.5-35.8173.5-172.4176.6179.8179.50112.1R30 F31R30-K33 PolarHBondContact O-N 2.92Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 3.16Å
34K92.3Very high91.9Very high176 Ų17677.9 Ų77.977%0.76538%0.38SS*.Hα-helixtrans-70.3-34.5178.4-73.5-179.5176.4-172.50112.8R30 F31 F32 G36R30-K34 WeakPolarHBondContact O-CG 3.44Å; R30-K34 PolarHBondContact O-N 2.8Å; R30-K34 VanDerWaalsContact O-N 3.16Å; F31-K34 WeakPolarHBondContact O-CB 3.4Å; F31-K34 PolarHBondContact O-N 3.38Å; F32-K34 VanDerWaalsContact C-N 3.26Å; F32-K34 PolarHBondContact O-N 3.17Å; K34-G36 VanDerWaalsContact C-N 3.35Å
35I92.6Very high91.9Very high49 Ų4976.9 Ų76.925%0.25138%0.377SS..THydrogen-bonded Turntrans-95.311.5-179.364.5165.8000113.1F31 F32 V37 P391F31-I35 HydrophobicContact CD1-CD1 4.37Å; F31-I35 HydrophobicContact CE1-CD1 3.7Å; F31-I35 HydrophobicContact CZ-CD1 3.97Å; F31-I35 PolarHBondContact O-N 3.31Å; F32-I35 HydrophobicContact CD1-CD1 3.93Å; F32-I35 HydrophobicContact CD1-CG1 4.31Å; F32-I35 HydrophobicContact CE1-CD1 4.35Å; F32-I35 CarbonylContact O-C 3.52Å; F32-I35 PolarHBondContact O-N 2.77Å; I35-V37 VanDerWaalsContact C-N 3.28Å; I35-V37 HydrophobicContact CD1-CB 4.48Å; I35-V37 HydrophobicContact CD1-CG2 3.9Å; I35-V37 HydrophobicContact CG1-CB 4.27Å; I35-V37 HydrophobicContact CG1-CG2 3.94Å; I35-V37 PolarHBondContact O-N 2.8Å; I35-P391 HydrophobicContact CD1-CG 4.46Å; I35-P391 HydrophobicContact CG2-CG 3.81Å
36G93.3Very high91.9Very high67 Ų6778.3 Ų78.369%0.69139%0.389SS*.THydrogen-bonded Turntrans72.514.5175.900000115.2F32 K34F32-G36 PolarHBondContact O-N 3.04Å; F32-G36 VanDerWaalsContact O-N 3.11Å; K34-G36 VanDerWaalsContact C-N 3.35Å
37V96.2Very high92Very high14 Ų1475.6 Ų75.69%0.08538%0.375CS..  trans-92.6129.6179.4174.40000110F32 I35 I70 L81 L388F32-V37 CarbonylContact C-O 3.55Å; F32-V37 HydrophobicContact CB-CB 4.15Å; F32-V37 HydrophobicContact CB-CG1 4.45Å; F32-V37 WeakPolarHBondContact CB-O 3.47Å; F32-V37 HydrophobicContact CD1-CB 3.88Å; F32-V37 HydrophobicContact CD1-CG1 3.87Å; F32-V37 HydrophobicContact CG-CB 4.42Å; F32-V37 HydrophobicContact CG-CG1 4.4Å; F32-V37 PolarHBondContact O-N 3.07Å; I35-V37 VanDerWaalsContact C-N 3.28Å; I35-V37 HydrophobicContact CD1-CB 4.48Å; I35-V37 HydrophobicContact CD1-CG2 3.9Å; I35-V37 HydrophobicContact CG1-CB 4.27Å; I35-V37 HydrophobicContact CG1-CG2 3.94Å; I35-V37 PolarHBondContact O-N 2.8Å; V37-I70 HydrophobicContact CG1-CG2 4.46Å; V37-L81 HydrophobicContact CG1-CD1 3.88Å; V37-L81 HydrophobicContact CG2-CD1 4.21Å; V37-L388 HydrophobicContact CG2-CD1 4.12Å
38S96.9Very high92.2Very high73 Ų7366.3 Ų66.351%0.5134%0.341SS..  trans-83.1156.7177-67.60000112W71 G72S38-W71 CarbonylContact O-C 3.39Å; S38-W71 VanDerWaalsContact O-CA 3.27Å; S38-W71 WeakPolarHBondContact O-CA 3.37Å; S38-G72 PolarHBondContact O-N 3.45Å
39G96.6Very high92.1Very high27 Ų2768.2 Ų68.228%0.27835%0.349SS..  trans-177.917117800000113.6Y67 G72G39-Y67 PolarHBondContact O-OH 3.29Å; G39-G72 WeakPolarHBondContact CA-O 3.29Å
40P95.8Very high91.9Very high22 Ų2272.8 Ų72.814%0.14337%0.372CS..PPolyproline II helixtrans-64140.9175.626.4-34.3000111.5P42 N48 F59 Y67 G72 L73P40-P42 WeakPolarHBondContact O-CD 3.45Å; P40-N48 PolarHBondContact O-ND2 3.04Å; P40-F59 HydrophobicContact CG-CZ 4.02Å; P40-Y67 WeakPolarHBondContact CA-OH 3.43Å; P40-Y67 HydrophobicContact CB-CE2 4.39Å; P40-G72 WeakPolarHBondContact CD-O 3.43Å; P40-L73 HydrophobicContact CG-CD2 3.36Å
41R94.1Very high91.5Very high235 Ų23565.8 Ų65.889%0.88735%0.351SS*.PPolyproline II helixtrans-62.3121.9179-175.4177.1179175.5-0.4110.2N48R41-N48 PolarHBondContact O-ND2 3.48Å
42P93.9Very high91.1Very high25 Ų2563.7 Ų63.716%0.16234%0.342CS..PPolyproline II helixtrans-77149.9178.530.2-33.8000111.9H29 P40 Y74H29-P42 HydrophobicContact CB-CB 4.45Å; H29-P42 HydrophobicContact CB-CG 3.5Å; H29-P42 VanDerWaalsContact CG-CG 3.41Å; P40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-Y74 HydrophobicContact CB-CD2 3.8Å; P42-Y74 HydrophobicContact CB-CG 4.25Å; P42-Y74 HydrophobicContact CG-CD2 3.71Å; P42-Y74 HydrophobicContact CG-CE2 4.04Å; P42-Y74 HydrophobicContact CG-CG 4.47Å
43L90.8Very high90.5Very high76 Ų7668.2 Ų68.240%0.39837%0.374SS..BIsolated β-bridgetrans-86.8148.5168.7-63.5176.1000110.4H29 F45 A46 G47 M50H29-L43 PolarHBondContact CE1-O 2.84Å; L43-F45 PolarHBondContact O-N 3.06Å; L43-A46 HydrophobicContact CB-CB 4.41Å; L43-G47 PolarHBondContact N-O 2.83Å; L43-G47 WeakPolarHBondContact O-CA 3.3Å; L43-G47 PolarHBondContact O-N 3.36Å; L43-M50 HydrophobicContact CD1-CB 4.26Å; L43-M50 HydrophobicContact CD1-CE 3.92Å; L43-M50 HydrophobicContact CD1-CG 3.91Å; L43-M50 HydrophobicContact CD1-SD 3.27Å; L43-M50 WeakPolarHBondContact CD1-SD 3.45Å
44P87Confident90.1Very high67 Ų6764.9 Ų64.944%0.43536%0.36SS..THydrogen-bonded Turntrans-52.9133.9174.5-2534.2000111.8I26 A46I26-P44 HydrophobicContact CG2-CB 3.78Å; I26-P44 HydrophobicContact CG2-CG 3.88Å; P44-A46 PolarHBondContact O-N 2.7Å
45F83.9Confident89.9Confident53 Ų5357.1 Ų57.123%0.23233%0.33CS..THydrogen-bonded Turntrans62.9-42.4-177-54.9-87.6000116.9L21 L22 Y24 G25 L43 G76L21-F45 HydrophobicContact CB-CZ 4.4Å; L21-F45 WeakPolarHBondContact O-CZ 3.37Å; L22-F45 HydrophobicContact CD2-CE2 4.34Å; Y24-F45 HydrophobicContact CD1-CE1 4.43Å; G25-F45 PolarHBondContact O-N 3.2Å; L43-F45 PolarHBondContact O-N 3.06Å; F45-G76 CarbonylContact O-C 3.44Å; F45-G76 WeakPolarHBondContact O-CA 3.25Å
46A86Confident89.8Confident29 Ų2955.6 Ų55.624%0.2432%0.322CS..THydrogen-bonded Turntrans-82.2-19.2-176.600000113.2L43 P44 N48 L49 G76L43-A46 HydrophobicContact CB-CB 4.41Å; P44-A46 PolarHBondContact O-N 2.7Å; A46-N48 PolarHBondContact O-N 3.49Å; A46-L49 WeakPolarHBondContact O-CB 3.36Å; A46-L49 WeakPolarHBondContact O-CD1 3.3Å; A46-L49 WeakPolarHBondContact O-CG 3.42Å; A46-L49 PolarHBondContact O-N 2.76Å; A46-G76 PolarHBondContact O-N 3.16Å
47G90.8Very high89.8Confident1 Ų153.7 Ų53.71%0.0130%0.296CS..BIsolated β-bridgetrans61.1-126.7-174.700000110.5L43 Y74L43-G47 PolarHBondContact N-O 2.83Å; L43-G47 WeakPolarHBondContact O-CA 3.3Å; L43-G47 PolarHBondContact O-N 3.36Å; G47-Y74 CarbonylContact C-O 3.51Å; G47-Y74 WeakPolarHBondContact CA-O 3.05Å
48N92.1Very high89.7Confident10 Ų1056.1 Ų56.15%0.05331%0.311CS..THydrogen-bonded Turntrans-10310.1178.3-55.9106.8000113.5P40 R41 A46 M50 G51 F59 L73 Y74P40-N48 PolarHBondContact O-ND2 3.04Å; R41-N48 PolarHBondContact O-ND2 3.48Å; A46-N48 PolarHBondContact O-N 3.49Å; N48-M50 PolarHBondContact O-N 3.21Å; N48-M50 VanDerWaalsContact O-N 3.15Å; N48-G51 PolarHBondContact O-N 3.45Å; N48-F59 HydrophobicContact CB-CZ 4.16Å; N48-L73 HydrophobicContact CB-CD2 4.48Å; N48-Y74 PolarHBondContact N-O 2.88Å; N48-Y74 PolarHBondContact OD1-N 3.02Å
49L86.5Confident89.6Confident70 Ų7053.3 Ų53.337%0.36629%0.289SS..G310 helixtrans-57.1-32.5-176-68.4173.6000113.6A46 G51 F52 E75A46-L49 WeakPolarHBondContact O-CB 3.36Å; A46-L49 WeakPolarHBondContact O-CD1 3.3Å; A46-L49 WeakPolarHBondContact O-CG 3.42Å; A46-L49 PolarHBondContact O-N 2.76Å; L49-G51 PolarHBondContact O-N 2.97Å; L49-F52 HydrophobicContact CD2-CD2 3.94Å; L49-F52 HydrophobicContact CD2-CE2 3.64Å; L49-F52 WeakPolarHBondContact O-CB 3.35Å; L49-F52 PolarHBondContact O-N 2.95Å; L49-F52 VanDerWaalsContact O-N 3.09Å; L49-E75 HydrophobicContact CD2-CB 4.38Å; L49-E75 HydrophobicContact CD2-CG 4.3Å
50M85.3Confident89.5Confident124 Ų12452.1 Ų52.161%0.61128%0.277SS*.G310 helixtrans-62.6-26.2175.8-68.9-166.1-175.300112.8L43 N48 F52 S53L43-M50 HydrophobicContact CD1-CB 4.26Å; L43-M50 HydrophobicContact CD1-CE 3.92Å; L43-M50 HydrophobicContact CD1-CG 3.91Å; L43-M50 HydrophobicContact CD1-SD 3.27Å; L43-M50 WeakPolarHBondContact CD1-SD 3.45Å; N48-M50 PolarHBondContact O-N 3.21Å; N48-M50 VanDerWaalsContact O-N 3.15Å; M50-F52 PolarHBondContact O-N 3.45Å; M50-S53 WeakPolarHBondContact O-CB 3.4Å; M50-S53 PolarHBondContact O-N 2.95Å; M50-S53 PolarHBondContact O-OG 3.4Å
51G85.4Confident89.6Confident17 Ų1755 Ų5518%0.17529%0.285CS..G310 helixtrans-63-27.917500000113.1N48 L49 S53 K54N48-G51 PolarHBondContact O-N 3.45Å; L49-G51 PolarHBondContact O-N 2.97Å; G51-S53 PolarHBondContact O-N 3.26Å; G51-K54 PolarHBondContact O-N 2.88Å
52F84.8Confident89.7Confident10 Ų1047.9 Ų47.94%0.04426%0.261CS..G310 helixtrans-71.8-12179.6-56.8-17.6000113.2L49 M50 K54 G55 L56 F59 W481L49-F52 HydrophobicContact CD2-CD2 3.94Å; L49-F52 HydrophobicContact CD2-CE2 3.64Å; L49-F52 WeakPolarHBondContact O-CB 3.35Å; L49-F52 PolarHBondContact O-N 2.95Å; L49-F52 VanDerWaalsContact O-N 3.09Å; M50-F52 PolarHBondContact O-N 3.45Å; F52-K54 PolarHBondContact O-N 2.95Å; F52-G55 PolarHBondContact O-N 3.47Å; F52-L56 HydrophobicContact CD1-CD1 4.2Å; F52-L56 HydrophobicContact CE1-CD1 4.31Å; F52-L56 HydrophobicContact CG-CD1 4.41Å; F52-F59 AromaticContact CD1-CD1 3.74Å; F52-F59 HydrophobicContact CD1-CD1 3.74Å; F52-F59 HydrophobicContact CD1-CE1 4.1Å; F52-F59 HydrophobicContact CD1-CG 4.09Å; F52-F59 AromaticContact CE1-CD1 3.58Å; F52-F59 HydrophobicContact CE1-CD1 3.58Å; F52-F59 AromaticContact CE1-CE1 3.59Å; F52-F59 HydrophobicContact CE1-CE1 3.59Å; F52-F59 HydrophobicContact CE1-CG 4.37Å; F52-F59 HydrophobicContact CE1-CZ 4.39Å; F52-W481 HydrophobicContact CB-CB 4.02Å
53S84.2Confident89.8Confident102 Ų10246.9 Ų46.971%0.71326%0.255SS*.G310 helixtrans-61.7-23.7172.463.50000113.2M50 G51 G55M50-S53 WeakPolarHBondContact O-CB 3.4Å; M50-S53 PolarHBondContact O-N 2.95Å; M50-S53 PolarHBondContact O-OG 3.4Å; G51-S53 PolarHBondContact O-N 3.26Å; S53-G55 PolarHBondContact O-N 3.33Å
54K84.3Confident90.2Very high115 Ų11544.7 Ų44.750%0.524%0.243SC..G310 helixtrans-78-3.4173.5-60.3-178175.4-171.90113.8G51 F52 T58 E62G51-K54 PolarHBondContact O-N 2.88Å; F52-K54 PolarHBondContact O-N 2.95Å; K54-T58 HydrophobicContact CB-CG2 4.45Å; K54-T58 WeakPolarHBondContact O-CB 3.47Å; K54-T58 PolarHBondContact O-OG1 3.21Å; K54-E62 IonicContact NZ-OE1 3.92Å; K54-E62 PolarHBondContact NZ-OE1 2.87Å; K54-E62 IonicContact NZ-OE2 3.26Å; K54-E62 PolarHBondContact NZ-OE2 3.34Å
55G87.8Confident90.6Very high13 Ų1345.9 Ų45.913%0.13426%0.259CS..  trans90.4142.9-167.300000112.4F52 S53 L57 T58 F59F52-G55 PolarHBondContact O-N 3.47Å; S53-G55 PolarHBondContact O-N 3.33Å; G55-L57 PolarHBondContact O-N 3.48Å; G55-T58 PolarHBondContact O-N 2.9Å; G55-F59 WeakPolarHBondContact O-CB 3.22Å; G55-F59 PolarHBondContact O-N 2.97Å
56L91.2Very high91.3Very high17 Ų1750.5 Ų50.59%0.08928%0.278CS..Hα-helixtrans-59.7-47.1-173.5-163.871.9000112.9F52 F59 D60 P373 R374 F483F52-L56 HydrophobicContact CD1-CD1 4.2Å; F52-L56 HydrophobicContact CE1-CD1 4.31Å; F52-L56 HydrophobicContact CG-CD1 4.41Å; L56-F59 PolarHBondContact O-N 3.06Å; L56-D60 WeakPolarHBondContact O-CB 3.48Å; L56-D60 PolarHBondContact O-N 3.33Å; L56-P373 HydrophobicContact CD2-CB 3.73Å; L56-P373 HydrophobicContact CD2-CG 3.6Å; L56-R374 VanDerWaalsContact CD1-NH2 3.27Å; L56-R374 HydrophobicContact CD2-CG 4.31Å; L56-F483 HydrophobicContact CB-CD2 4.35Å; L56-F483 HydrophobicContact CD2-CD2 4.36Å
57L92.9Very high91.9Very high27 Ų2752 Ų5214%0.14128%0.278CS..Hα-helixtrans-63-47.5-179.7176.363.3000111.8G55 F59 D60 R61 L402 K405G55-L57 PolarHBondContact O-N 3.48Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 2.88Å; L57-D60 PolarHBondContact O-N 3.05Å; L57-R61 HydrophobicContact CD1-CG 4.28Å; L57-R61 WeakPolarHBondContact O-CB 3.42Å; L57-R61 WeakPolarHBondContact O-CG 3.32Å; L57-R61 PolarHBondContact O-N 3.44Å; L57-L402 HydrophobicContact CD1-CB 4.39Å; L57-L402 HydrophobicContact CD1-CD1 4.4Å; L57-K405 HydrophobicContact CD2-CG 4.47Å
58T93.5Very high92.2Very high66 Ų6653.5 Ų53.541%0.40529%0.294SS..Hα-helixtrans-59.3-45.8179.2-49.70000110.7K54 G55 R61 E62K54-T58 HydrophobicContact CB-CG2 4.45Å; K54-T58 WeakPolarHBondContact O-CB 3.47Å; K54-T58 PolarHBondContact O-OG1 3.21Å; G55-T58 PolarHBondContact O-N 2.9Å; T58-R61 PolarHBondContact O-N 3.22Å; T58-E62 WeakPolarHBondContact O-CG 3.48Å; T58-E62 PolarHBondContact O-N 3.3Å
59F94.6Very high92.4Very high13 Ų1354.8 Ų54.86%0.05730%0.301CS..Hα-helixtrans-62.7-44.9178.1179.6-98.9000112.5P40 N48 F52 G55 L56 L57 E62 C63 L73P40-F59 HydrophobicContact CG-CZ 4.02Å; N48-F59 HydrophobicContact CB-CZ 4.16Å; F52-F59 AromaticContact CD1-CD1 3.74Å; F52-F59 HydrophobicContact CD1-CD1 3.74Å; F52-F59 HydrophobicContact CD1-CE1 4.1Å; F52-F59 HydrophobicContact CD1-CG 4.09Å; F52-F59 AromaticContact CE1-CD1 3.58Å; F52-F59 HydrophobicContact CE1-CD1 3.58Å; F52-F59 AromaticContact CE1-CE1 3.59Å; F52-F59 HydrophobicContact CE1-CE1 3.59Å; F52-F59 HydrophobicContact CE1-CG 4.37Å; F52-F59 HydrophobicContact CE1-CZ 4.39Å; G55-F59 WeakPolarHBondContact O-CB 3.22Å; G55-F59 PolarHBondContact O-N 2.97Å; L56-F59 PolarHBondContact O-N 3.06Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 2.88Å; F59-E62 PolarHBondContact O-N 3.1Å; F59-C63 PolarHBondContact O-N 3.19Å; F59-C63 PolarHBondContact O-SG 3.35Å; F59-L73 HydrophobicContact CE1-CD1 3.87Å; F59-L73 HydrophobicContact CE1-CD2 3.6Å; F59-L73 HydrophobicContact CE1-CG 4.41Å; F59-L73 HydrophobicContact CZ-CD2 3.69Å
60D95.8Very high93Very high3 Ų353.9 Ų53.92%0.01630%0.296CS..Hα-helixtrans-65.8-37.4178.2-76.8-18.5000111.9L56 L57 C63 Q64 W71 R374 L402L56-D60 WeakPolarHBondContact O-CB 3.48Å; L56-D60 PolarHBondContact O-N 3.33Å; L57-D60 PolarHBondContact O-N 3.05Å; D60-C63 PolarHBondContact O-N 2.91Å; D60-Q64 WeakPolarHBondContact O-CB 3.44Å; D60-Q64 PolarHBondContact O-N 3.47Å; D60-W71 HydrophobicContact CB-CZ2 4.28Å; D60-R374 IonicContact OD1-CZ 2.7Å; D60-R374 IonicContact OD1-NE 2.68Å; D60-R374 IonicContact OD1-NH2 2.91Å; D60-R374 PolarHBondContact OD1-NH2 2.9Å; D60-R374 IonicContact OD2-CZ 2.72Å; D60-R374 IonicContact OD2-NE 3.55Å; D60-R374 PolarHBondContact OD2-NE 2.88Å; D60-R374 IonicContact OD2-NH2 3.79Å; D60-R374 PolarHBondContact OD2-NH2 3.29Å; D60-L402 HydrophobicContact CB-CB 4.34Å; D60-L402 HydrophobicContact CB-CD2 4.23Å
61R95.9Very high93.6Very high81 Ų8148 Ų4831%0.30627%0.267SS..Hα-helixtrans-62.2-48.6172.8-77.8178.9177.3174.5-1.2112.5L57 T58 C63 Q64 A65 L402 E414L57-R61 HydrophobicContact CD1-CG 4.28Å; L57-R61 WeakPolarHBondContact O-CB 3.42Å; L57-R61 WeakPolarHBondContact O-CG 3.32Å; L57-R61 PolarHBondContact O-N 3.44Å; T58-R61 PolarHBondContact O-N 3.22Å; R61-C63 VanDerWaalsContact C-N 3.25Å; R61-C63 PolarHBondContact O-N 3.32Å; R61-Q64 PolarHBondContact O-N 3.33Å; R61-A65 VanDerWaalsContact O-CB 3.3Å; R61-A65 WeakPolarHBondContact O-CB 3.29Å; R61-A65 PolarHBondContact O-N 2.95Å; R61-L402 HydrophobicContact CB-CD1 4.07Å; R61-L402 HydrophobicContact CG-CD1 3.26Å; R61-E414 IonicContact CZ-OE1 2.67Å; R61-E414 VanDerWaalsContact CZ-OE1 3.23Å; R61-E414 IonicContact NH1-OE1 3.79Å; R61-E414 PolarHBondContact NH1-OE1 3.38Å; R61-E414 IonicContact NH2-OE1 3.97Å; R61-E414 PolarHBondContact NH2-OE1 3.25Å
62E96.5Very high94.2Very high86 Ų8647.2 Ų47.240%0.40226%0.259SS..Hα-helixtrans-59-40.4177.2-74.8179.8-178.100111K54 T58 F59 K66K54-E62 IonicContact NZ-OE1 3.92Å; K54-E62 PolarHBondContact NZ-OE1 2.87Å; K54-E62 IonicContact NZ-OE2 3.26Å; K54-E62 PolarHBondContact NZ-OE2 3.34Å; T58-E62 WeakPolarHBondContact O-CG 3.48Å; T58-E62 PolarHBondContact O-N 3.3Å; F59-E62 PolarHBondContact O-N 3.1Å; E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 2.98Å
63C97.4Very high94.7Very high4 Ų446.8 Ų46.83%0.02726%0.257CS..Hα-helixtrans-67.2-49.4177.1-690000111.7F59 D60 R61 A65 K66 Y67 W71F59-C63 PolarHBondContact O-N 3.19Å; F59-C63 PolarHBondContact O-SG 3.35Å; D60-C63 PolarHBondContact O-N 2.91Å; R61-C63 VanDerWaalsContact C-N 3.25Å; R61-C63 PolarHBondContact O-N 3.32Å; C63-A65 VanDerWaalsContact C-N 3.34Å; C63-A65 PolarHBondContact O-N 3.37Å; C63-K66 PolarHBondContact O-N 3.46Å; C63-K66 VanDerWaalsContact O-N 3.17Å; C63-Y67 HydrophobicContact CB-CD2 4.21Å; C63-Y67 WeakPolarHBondContact O-CB 3.2Å; C63-Y67 VanDerWaalsContact O-CD2 3.25Å; C63-Y67 WeakPolarHBondContact O-CD2 3.3Å; C63-Y67 PolarHBondContact O-N 3.4Å; C63-W71 HydrophobicContact CB-CD2 4.05Å; C63-W71 HydrophobicContact CB-CG 4.04Å; C63-W71 HydrophobicContact CB-CZ2 4.22Å
64Q97.6Very high95.1Very high30 Ų3042.3 Ų42.314%0.1423%0.225CC..Hα-helixtrans-60.3-44.1179.5-174.1-169.738.100111.6D60 R61 K66 G68 D69 W71 L402 D406D60-Q64 WeakPolarHBondContact O-CB 3.44Å; D60-Q64 PolarHBondContact O-N 3.47Å; R61-Q64 PolarHBondContact O-N 3.33Å; Q64-K66 PolarHBondContact O-N 3.15Å; Q64-G68 WeakPolarHBondContact CA-O 3.45Å; Q64-G68 CarbonylContact O-C 3.59Å; Q64-G68 VanDerWaalsContact O-CA 3.24Å; Q64-G68 WeakPolarHBondContact O-CA 3.35Å; Q64-G68 PolarHBondContact O-N 2.73Å; Q64-D69 PolarHBondContact NE2-OD1 3.19Å; Q64-W71 HydrophobicContact CB-CH2 4.3Å; Q64-W71 HydrophobicContact CB-CZ3 4.11Å; Q64-W71 HydrophobicContact CG-CZ3 4.43Å; Q64-L402 HydrophobicContact CB-CD2 3.92Å; Q64-L402 HydrophobicContact CG-CD2 4.24Å; Q64-D406 PolarHBondContact NE2-OD2 3.39Å
65A97.3Very high95.3Very high93 Ų9338.5 Ų38.577%0.76921%0.209SC*.Hα-helixtrans-62.1-32.7178.600000112.8R61 C63R61-A65 VanDerWaalsContact O-CB 3.3Å; R61-A65 WeakPolarHBondContact O-CB 3.29Å; R61-A65 PolarHBondContact O-N 2.95Å; C63-A65 VanDerWaalsContact C-N 3.34Å; C63-A65 PolarHBondContact O-N 3.37Å
66K97.8Very high95.2Very high149 Ų14938.1 Ų38.165%0.64820%0.204SC*.Hα-helixtrans-90.8-34.5-176.7-174.4171.7178.6-178.10114E62 C63 Q64E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 2.98Å; C63-K66 PolarHBondContact O-N 3.46Å; C63-K66 VanDerWaalsContact O-N 3.17Å; Q64-K66 PolarHBondContact O-N 3.15Å
67Y97.5Very high94.9Very high60 Ų6039 Ų3924%0.23521%0.208CC..Hα-helixtrans-116.5-6.8-169.2-56.5-63.8000113.4G39 P40 C63 W71G39-Y67 PolarHBondContact O-OH 3.29Å; P40-Y67 WeakPolarHBondContact CA-OH 3.43Å; P40-Y67 HydrophobicContact CB-CE2 4.39Å; C63-Y67 HydrophobicContact CB-CD2 4.21Å; C63-Y67 WeakPolarHBondContact O-CB 3.2Å; C63-Y67 VanDerWaalsContact O-CD2 3.25Å; C63-Y67 WeakPolarHBondContact O-CD2 3.3Å; C63-Y67 PolarHBondContact O-N 3.4Å; Y67-W71 HydrophobicContact CD2-CB 4.3Å; Y67-W71 HydrophobicContact CG-CB 4.28Å
68G97.2Very high94.7Very high33 Ų3340.7 Ų40.734%0.3422%0.219SC..  trans83.7-166.1-174.200000112.6Q64 I70Q64-G68 WeakPolarHBondContact CA-O 3.45Å; Q64-G68 CarbonylContact O-C 3.59Å; Q64-G68 VanDerWaalsContact O-CA 3.24Å; Q64-G68 WeakPolarHBondContact O-CA 3.35Å; Q64-G68 PolarHBondContact O-N 2.73Å; G68-I70 PolarHBondContact O-N 3.22Å
69D97.6Very high94.7Very high37 Ų3739 Ų3920%0.19821%0.209CC..SBendtrans-73.6-4.6-175.3-72.1-43.9000114.6Q64 V83 A84 D85 R408Q64-D69 PolarHBondContact NE2-OD1 3.19Å; D69-V83 CarbonylContact O-C 3.51Å; D69-V83 WeakPolarHBondContact O-CA 3.39Å; D69-A84 HydrophobicContact CB-CB 4.11Å; D69-A84 PolarHBondContact O-N 3.32Å; D69-D85 HydrophobicContact CB-CB 4.24Å; D69-R408 IonicContact OD1-CZ 3.05Å; D69-R408 IonicContact OD1-NH1 3.54Å; D69-R408 PolarHBondContact OD1-NH1 2.99Å; D69-R408 IonicContact OD1-NH2 3.26Å; D69-R408 PolarHBondContact OD1-NH2 3.41Å; D69-R408 IonicContact OD2-CZ 2.72Å; D69-R408 IonicContact OD2-NH1 2.72Å; D69-R408 PolarHBondContact OD2-NH1 3.34Å; D69-R408 IonicContact OD2-NH2 3.38Å
70I98.1Very high94.8Very high51 Ų5138.5 Ų38.526%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-129.1119178.9-56.9160.9000108.4V37 G68 L81 M82 I88 L388V37-I70 HydrophobicContact CG1-CG2 4.46Å; G68-I70 PolarHBondContact O-N 3.22Å; I70-L81 HydrophobicContact CG2-CD1 3.81Å; I70-M82 WeakPolarHBondContact CA-O 3.3Å; I70-I88 HydrophobicContact CD1-CD1 3.71Å; I70-I88 HydrophobicContact CG1-CD1 4.31Å; I70-L388 HydrophobicContact CD1-CD2 4.05Å; I70-L388 HydrophobicContact CG1-CD2 4.45Å; I70-L388 HydrophobicContact CG2-CD1 4.11Å; I70-L388 HydrophobicContact CG2-CD2 4.05Å
71W98.1Very high94.9Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-147152.2176.670.397.4000112.8S38 D60 C63 Q64 Y67 M82 A84 P399 L402S38-W71 CarbonylContact O-C 3.39Å; S38-W71 VanDerWaalsContact O-CA 3.27Å; S38-W71 WeakPolarHBondContact O-CA 3.37Å; D60-W71 HydrophobicContact CB-CZ2 4.28Å; C63-W71 HydrophobicContact CB-CD2 4.05Å; C63-W71 HydrophobicContact CB-CG 4.04Å; C63-W71 HydrophobicContact CB-CZ2 4.22Å; Q64-W71 HydrophobicContact CB-CH2 4.3Å; Q64-W71 HydrophobicContact CB-CZ3 4.11Å; Q64-W71 HydrophobicContact CG-CZ3 4.43Å; Y67-W71 HydrophobicContact CD2-CB 4.3Å; Y67-W71 HydrophobicContact CG-CB 4.28Å; W71-M82 HydrophobicContact CD2-CB 3.51Å; W71-M82 HydrophobicContact CD2-CG 4.27Å; W71-M82 HydrophobicContact CE3-CB 3.96Å; W71-M82 HydrophobicContact CG-CB 4.02Å; W71-M82 HydrophobicContact CH2-CB 3.98Å; W71-M82 HydrophobicContact CZ2-CB 3.5Å; W71-M82 VanDerWaalsContact CZ2-CB 3.5Å; W71-M82 HydrophobicContact CZ2-CE 4.23Å; W71-M82 HydrophobicContact CZ2-CG 3.86Å; W71-M82 HydrophobicContact CZ3-CB 4.17Å; W71-M82 PolarHBondContact N-O 3.2Å; W71-M82 VanDerWaalsContact N-O 3.13Å; W71-M82 PolarHBondContact O-N 2.82Å; W71-A84 HydrophobicContact CZ3-CB 4.11Å; W71-P399 HydrophobicContact CH2-CB 4.39Å; W71-P399 HydrophobicContact CH2-CG 3.82Å; W71-L402 HydrophobicContact CH2-CD2 3.75Å; W71-L402 HydrophobicContact CZ3-CD2 4.5Å
72G97.5Very high95Very high1 Ų134.5 Ų34.51%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-96.5133.3178.500000112.3S38 G39 P40S38-G72 PolarHBondContact O-N 3.45Å; G39-G72 WeakPolarHBondContact CA-O 3.29Å; P40-G72 WeakPolarHBondContact CD-O 3.43Å
73L95.4Very high95.1Very high1 Ų130.4 Ų30.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-125158173.6-61178000110.7F32 P40 N48 F59 L80 M82F32-L73 VanDerWaalsContact CE2-O 3.23Å; F32-L73 WeakPolarHBondContact CE2-O 3.44Å; P40-L73 HydrophobicContact CG-CD2 3.36Å; N48-L73 HydrophobicContact CB-CD2 4.48Å; F59-L73 HydrophobicContact CE1-CD1 3.87Å; F59-L73 HydrophobicContact CE1-CD2 3.6Å; F59-L73 HydrophobicContact CE1-CG 4.41Å; F59-L73 HydrophobicContact CZ-CD2 3.69Å; L73-L80 HydrophobicContact CB-CB 4.34Å; L73-L80 PolarHBondContact N-O 3.34Å; L73-L80 PolarHBondContact O-N 3.5Å; L73-M82 HydrophobicContact CD1-CG 3.44Å; L73-M82 VanDerWaalsContact CD1-CG 3.44Å; L73-M82 HydrophobicContact CD1-SD 4.09Å; L73-M82 HydrophobicContact CG-CG 3.9Å
74Y93.2Very high95.1Very high8 Ų830.2 Ų30.23%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-120.4118171.8-67-83.8000110.4P28 H29 F31 F32 P42 G47 N48 G76 T78 P79P28-Y74 WeakPolarHBondContact O-CE1 3.44Å; P28-Y74 PolarHBondContact O-OH 2.92Å; H29-Y74 VanDerWaalsContact C-OH 3.25Å; H29-Y74 VanDerWaalsContact CA-CZ 3.44Å; H29-Y74 HydrophobicContact CB-CE2 4.43Å; H29-Y74 AromaticContact CD2-CD1 3.61Å; H29-Y74 AromaticContact CD2-CG 3.65Å; H29-Y74 PolarHBondContact O-OH 2.8Å; F31-Y74 HydrophobicContact CB-CE1 4.43Å; F31-Y74 WeakPolarHBondContact CB-OH 3.22Å; F31-Y74 PolarHBondContact N-OH 3.36Å; F31-Y74 VanDerWaalsContact N-OH 3.16Å; F32-Y74 HydrophobicContact CD2-CD2 4.33Å; F32-Y74 HydrophobicContact CD2-CE1 4.1Å; F32-Y74 AromaticContact CD2-CE2 3.53Å; F32-Y74 HydrophobicContact CD2-CE2 3.53Å; F32-Y74 AromaticContact CD2-CZ 3.38Å; F32-Y74 WeakPolarHBondContact CD2-OH 3.27Å; F32-Y74 HydrophobicContact CE2-CE1 4.08Å; F32-Y74 HydrophobicContact CE2-CE2 4.07Å; F32-Y74 AromaticContact CE2-CZ 3.82Å; F32-Y74 PolarHBondContact N-OH 3.04Å; F32-Y74 VanDerWaalsContact N-OH 3.09Å; P42-Y74 HydrophobicContact CB-CD2 3.8Å; P42-Y74 HydrophobicContact CB-CG 4.25Å; P42-Y74 HydrophobicContact CG-CD2 3.71Å; P42-Y74 HydrophobicContact CG-CE2 4.04Å; P42-Y74 HydrophobicContact CG-CG 4.47Å; G47-Y74 CarbonylContact C-O 3.51Å; G47-Y74 WeakPolarHBondContact CA-O 3.05Å; N48-Y74 PolarHBondContact N-O 2.88Å; N48-Y74 PolarHBondContact OD1-N 3.02Å; Y74-G76 PolarHBondContact O-N 3.26Å; Y74-T78 WeakPolarHBondContact CA-O 3.43Å; Y74-P79 HydrophobicContact CD1-CB 4.19Å; Y74-P79 HydrophobicContact CE1-CB 3.84Å
75E87.8Confident95.1Very high36 Ų3631 Ų3117%0.16818%0.177CC..EExtended strand (participates in β ladder)trans-89.392.2166.1-69.1-171.7167.800108.3L49 K77 T78 L80 R105 R374L49-E75 HydrophobicContact CD2-CB 4.38Å; L49-E75 HydrophobicContact CD2-CG 4.3Å; E75-K77 PolarHBondContact O-N 2.91Å; E75-T78 PolarHBondContact N-O 3.43Å; E75-T78 PolarHBondContact O-N 2.88Å; E75-L80 HydrophobicContact CG-CD2 4.39Å; E75-R105 IonicContact OE2-CZ 3.07Å; E75-R105 VanDerWaalsContact OE2-CZ 3.26Å; E75-R105 IonicContact OE2-NH1 2.94Å; E75-R105 PolarHBondContact OE2-NH1 3.41Å; E75-R105 IonicContact OE2-NH2 3.26Å; E75-R105 PolarHBondContact OE2-NH2 3.4Å; E75-R374 IonicContact OE1-NH1 2.94Å
76G86.9Confident95.1Very high4 Ų427.1 Ų27.14%0.04114%0.144CC..THydrogen-bonded Turntrans61.8-102.7-16600000112.1H29 F45 A46 Y74H29-G76 PolarHBondContact NE2-O 2.92Å; F45-G76 CarbonylContact O-C 3.44Å; F45-G76 WeakPolarHBondContact O-CA 3.25Å; A46-G76 PolarHBondContact O-N 3.16Å; Y74-G76 PolarHBondContact O-N 3.26Å
77K85.2Confident95Very high37 Ų3724.2 Ų24.216%0.16113%0.132CC..THydrogen-bonded Turntrans-101.7-14.3176.5-70.8177.1-53.7-153.50113.4Y24 P28 E75 P79 A221Y24-K77 HydrophobicContact CE1-CD 4.04Å; Y24-K77 PolarHBondContact OH-NZ 3.18Å; P28-K77 HydrophobicContact CB-CB 4.41Å; P28-K77 VanDerWaalsContact CB-O 3.28Å; P28-K77 WeakPolarHBondContact CB-O 3.38Å; P28-K77 HydrophobicContact CG-CB 3.98Å; P28-K77 HydrophobicContact CG-CG 4.1Å; E75-K77 PolarHBondContact O-N 2.91Å; K77-P79 WeakPolarHBondContact O-CD 3.36Å; K77-A221 VanDerWaalsContact CE-O 3.3Å; K77-A221 WeakPolarHBondContact CE-O 3.46Å; K77-A221 PolarHBondContact NZ-O 3.17Å
78T87.8Confident95Very high61 Ų6121.6 Ų21.637%0.37412%0.122SC..EExtended strand (participates in β ladder)trans-80.6117.9-175.4-61.10000109.6Y74 E75 L395Y74-T78 WeakPolarHBondContact CA-O 3.43Å; E75-T78 PolarHBondContact N-O 3.43Å; E75-T78 PolarHBondContact O-N 2.88Å; T78-L395 HydrophobicContact CG2-CD2 4.24Å
79P93.4Very high95.1Very high32 Ų3220 Ų2021%0.20811%0.106CC..EExtended strand (participates in β ladder)trans-68.8134.3171.328.8-32.3000110.2F31 F32 Y74 K77F31-P79 HydrophobicContact CD1-CB 3.64Å; F31-P79 HydrophobicContact CD1-CG 4.13Å; F31-P79 HydrophobicContact CE1-CB 4.14Å; F31-P79 HydrophobicContact CE1-CG 4.46Å; F31-P79 HydrophobicContact CG-CB 4.25Å; F31-P79 HydrophobicContact CG-CG 4.41Å; F32-P79 HydrophobicContact CE2-CB 3.61Å; F32-P79 HydrophobicContact CZ-CB 3.65Å; Y74-P79 HydrophobicContact CD1-CB 4.19Å; Y74-P79 HydrophobicContact CE1-CB 3.84Å; K77-P79 WeakPolarHBondContact O-CD 3.36Å
80L95.9Very high95.1Very high1 Ų121.1 Ų21.11%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-127.1111.2176.8176.465.1000108.8F32 L73 E75 M82 L395F32-L80 VanDerWaalsContact CZ-C 3.48Å; F32-L80 WeakPolarHBondContact CZ-O 3.22Å; L73-L80 HydrophobicContact CB-CB 4.34Å; L73-L80 PolarHBondContact N-O 3.34Å; L73-L80 PolarHBondContact O-N 3.5Å; E75-L80 HydrophobicContact CG-CD2 4.39Å; L80-M82 HydrophobicContact CD1-SD 4.31Å; L80-M82 HydrophobicContact CD2-SD 3.6Å; L80-M82 HydrophobicContact CG-CG 4.48Å; L80-M82 HydrophobicContact CG-SD 3.71Å; L80-L395 CarbonylContact C-O 3.59Å; L80-L395 WeakPolarHBondContact CA-O 3.34Å; L80-L395 HydrophobicContact CD1-CB 4.35Å; L80-L395 HydrophobicContact CD1-CD2 3.83Å; L80-L395 HydrophobicContact CD1-CG 3.71Å
81L98Very high95.1Very high0 Ų019.1 Ų19.10%010%0.1CC..EExtended strand (participates in β ladder)trans-84.3111.7175.3178.562.1000108.7F32 V37 I70 V83 L388 I390 T394 L395 V396 G397F32-L81 HydrophobicContact CE1-CB 3.98Å; F32-L81 HydrophobicContact CE1-CD1 4.08Å; F32-L81 HydrophobicContact CZ-CB 4.35Å; V37-L81 HydrophobicContact CG1-CD1 3.88Å; V37-L81 HydrophobicContact CG2-CD1 4.21Å; I70-L81 HydrophobicContact CG2-CD1 3.81Å; L81-V83 HydrophobicContact CG-CG2 4.23Å; L81-L388 HydrophobicContact CD2-CD2 4.2Å; L81-I390 HydrophobicContact CD2-CD1 4.18Å; L81-I390 HydrophobicContact CD2-CG1 3.9Å; L81-I390 HydrophobicContact CD2-CG2 4.19Å; L81-T394 HydrophobicContact CB-CG2 3.88Å; L81-T394 HydrophobicContact CD2-CG2 4.31Å; L81-L395 PolarHBondContact N-O 3.42Å; L81-V396 HydrophobicContact CB-CG2 4.44Å; L81-V396 HydrophobicContact CD2-CG2 4.31Å; L81-V396 CarbonylContact O-C 3.54Å; L81-V396 VanDerWaalsContact O-CA 3.24Å; L81-V396 WeakPolarHBondContact O-CA 3.36Å; L81-V396 WeakPolarHBondContact O-CG1 3.49Å; L81-G397 PolarHBondContact O-N 2.98Å
82M98.3Very high95.1Very high0 Ų019.1 Ų19.10%010%0.1CC..EExtended strand (participates in β ladder)trans-86.9135.8176.4-62.7-58.3-65.100110.7I70 W71 L73 L80 R374 G397 P399I70-M82 WeakPolarHBondContact CA-O 3.3Å; W71-M82 HydrophobicContact CD2-CB 3.51Å; W71-M82 HydrophobicContact CD2-CG 4.27Å; W71-M82 HydrophobicContact CE3-CB 3.96Å; W71-M82 HydrophobicContact CG-CB 4.02Å; W71-M82 HydrophobicContact CH2-CB 3.98Å; W71-M82 HydrophobicContact CZ2-CB 3.5Å; W71-M82 VanDerWaalsContact CZ2-CB 3.5Å; W71-M82 HydrophobicContact CZ2-CE 4.23Å; W71-M82 HydrophobicContact CZ2-CG 3.86Å; W71-M82 HydrophobicContact CZ3-CB 4.17Å; W71-M82 PolarHBondContact N-O 3.2Å; W71-M82 VanDerWaalsContact N-O 3.13Å; W71-M82 PolarHBondContact O-N 2.82Å; L73-M82 HydrophobicContact CD1-CG 3.44Å; L73-M82 VanDerWaalsContact CD1-CG 3.44Å; L73-M82 HydrophobicContact CD1-SD 4.09Å; L73-M82 HydrophobicContact CG-CG 3.9Å; L80-M82 HydrophobicContact CD1-SD 4.31Å; L80-M82 HydrophobicContact CD2-SD 3.6Å; L80-M82 HydrophobicContact CG-CG 4.48Å; L80-M82 HydrophobicContact CG-SD 3.71Å; M82-R374 HydrophobicContact CE-CG 4.48Å; M82-G397 CarbonylContact C-O 3.6Å; M82-G397 WeakPolarHBondContact CA-O 3.26Å; M82-P399 HydrophobicContact CE-CB 3.73Å; M82-P399 HydrophobicContact CE-CG 4.18Å
83V98.3Very high95.1Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-133.3119.9-178.9-179.60000110D69 L81 I88 I89 I92 V396 G397 P399D69-V83 CarbonylContact O-C 3.51Å; D69-V83 WeakPolarHBondContact O-CA 3.39Å; L81-V83 HydrophobicContact CG-CG2 4.23Å; V83-I88 HydrophobicContact CG1-CB 3.73Å; V83-I88 HydrophobicContact CG1-CG2 3.57Å; V83-I88 HydrophobicContact CG2-CG2 4.46Å; V83-I89 HydrophobicContact CG1-CG1 4.15Å; V83-I92 HydrophobicContact CG2-CD1 4.46Å; V83-V396 HydrophobicContact CB-CG1 4.33Å; V83-V396 HydrophobicContact CG2-CG1 3.69Å; V83-G397 PolarHBondContact N-O 3.27Å; V83-P399 WeakPolarHBondContact O-CD 3.36Å
84A98.1Very high95.2Very high0 Ų021.8 Ų21.80%012%0.116CC..  trans-113.8-0.7175.700000113.4D69 W71 P86 P399 L403D69-A84 HydrophobicContact CB-CB 4.11Å; D69-A84 PolarHBondContact O-N 3.32Å; W71-A84 HydrophobicContact CZ3-CB 4.11Å; A84-P86 WeakPolarHBondContact O-CD 3.31Å; A84-P399 HydrophobicContact CB-CG 4.06Å; A84-L403 HydrophobicContact CB-CD2 4.08Å; A84-L403 WeakPolarHBondContact O-CD2 3.48Å
85D97.6Very high95.5Very high47 Ų4727.4 Ų27.425%0.25114%0.141SC..  trans-76122.6176179.1-84000111.2D69 E87 I88 I89D69-D85 HydrophobicContact CB-CB 4.24Å; D85-E87 VanDerWaalsContact C-N 3.34Å; D85-E87 PolarHBondContact O-N 3.41Å; D85-E87 WeakPolarHBondContact OD1-CA 3.29Å; D85-E87 PolarHBondContact OD1-N 3.04Å; D85-I88 HydrophobicContact CB-CB 4.27Å; D85-I88 HydrophobicContact CB-CD1 4.06Å; D85-I88 HydrophobicContact CB-CG1 4.14Å; D85-I88 PolarHBondContact O-N 2.96Å; D85-I88 WeakPolarHBondContact OD1-CG1 3.49Å; D85-I88 PolarHBondContact OD1-N 2.65Å; D85-I89 WeakPolarHBondContact O-CB 3.38Å; D85-I89 WeakPolarHBondContact O-CD1 3.43Å; D85-I89 WeakPolarHBondContact O-CG1 3.43Å; D85-I89 PolarHBondContact O-N 3.31Å
86P96.6Very high95.9Very high12 Ų1228.3 Ų28.38%0.07815%0.145CC..Hα-helixtrans-57.1-37.2-177.6-30.838.1000115.5A84 I89 K90 Y409A84-P86 WeakPolarHBondContact O-CD 3.31Å; P86-I89 PolarHBondContact O-N 3.1Å; P86-K90 WeakPolarHBondContact O-CB 3.21Å; P86-K90 PolarHBondContact O-N 2.94Å; P86-Y409 VanDerWaalsContact CD-OH 3.24Å; P86-Y409 WeakPolarHBondContact CD-OH 3.33Å; P86-Y409 HydrophobicContact CG-CE1 4.09Å; P86-Y409 HydrophobicContact CG-CE2 4.49Å; P86-Y409 WeakPolarHBondContact CG-OH 3.4Å
87E96.8Very high96.4Very high88 Ų8828.1 Ų28.141%0.41114%0.143SC..Hα-helixtrans-76-37.7-176.5-73.1-57.8128.100111.3D85 K90 A91 N386D85-E87 VanDerWaalsContact C-N 3.34Å; D85-E87 PolarHBondContact O-N 3.41Å; D85-E87 WeakPolarHBondContact OD1-CA 3.29Å; D85-E87 PolarHBondContact OD1-N 3.04Å; E87-K90 WeakPolarHBondContact O-CB 3.36Å; E87-K90 PolarHBondContact O-N 3.06Å; E87-A91 PolarHBondContact O-N 3.07Å; E87-N386 WeakPolarHBondContact CB-ND2 3.41Å
88I97.9Very high96.9Very high5 Ų532.1 Ų32.13%0.02616%0.158CC..Hα-helixtrans-67.1-41.6171.4-56.9177.8000109.9I70 V83 D85 K90 A91 I92 I385 N386 L388I70-I88 HydrophobicContact CD1-CD1 3.71Å; I70-I88 HydrophobicContact CG1-CD1 4.31Å; V83-I88 HydrophobicContact CG1-CB 3.73Å; V83-I88 HydrophobicContact CG1-CG2 3.57Å; V83-I88 HydrophobicContact CG2-CG2 4.46Å; D85-I88 HydrophobicContact CB-CB 4.27Å; D85-I88 HydrophobicContact CB-CD1 4.06Å; D85-I88 HydrophobicContact CB-CG1 4.14Å; D85-I88 PolarHBondContact O-N 2.96Å; D85-I88 WeakPolarHBondContact OD1-CG1 3.49Å; D85-I88 PolarHBondContact OD1-N 2.65Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.81Å; I88-A91 WeakPolarHBondContact O-CB 3.27Å; I88-A91 PolarHBondContact O-N 3.47Å; I88-A91 VanDerWaalsContact O-N 3.16Å; I88-I92 HydrophobicContact CG2-CD1 3.78Å; I88-I92 HydrophobicContact CG2-CG1 4.31Å; I88-I92 WeakPolarHBondContact O-CG1 3.39Å; I88-I92 PolarHBondContact O-N 2.93Å; I88-I385 HydrophobicContact CB-CG2 4.41Å; I88-I385 HydrophobicContact CG1-CG2 4.25Å; I88-I385 HydrophobicContact CG2-CG2 4.08Å; I88-N386 HydrophobicContact CD1-CB 4.42Å; I88-N386 HydrophobicContact CG1-CB 4.09Å; I88-L388 HydrophobicContact CD1-CD2 4.27Å
89I98.4Very high97.3Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-57.6-46.4174.6-73.4165.5000110.9V83 D85 P86 A91 I92 L93 I398 L403 Y432 M435V83-I89 HydrophobicContact CG1-CG1 4.15Å; D85-I89 WeakPolarHBondContact O-CB 3.38Å; D85-I89 WeakPolarHBondContact O-CD1 3.43Å; D85-I89 WeakPolarHBondContact O-CG1 3.43Å; D85-I89 PolarHBondContact O-N 3.31Å; P86-I89 PolarHBondContact O-N 3.1Å; I89-A91 VanDerWaalsContact C-N 3.32Å; I89-A91 PolarHBondContact O-N 3.17Å; I89-I92 PolarHBondContact O-N 3.24Å; I89-L93 HydrophobicContact CG2-CD1 3.84Å; I89-L93 HydrophobicContact CG2-CG 4.27Å; I89-L93 WeakPolarHBondContact O-CB 3.4Å; I89-L93 PolarHBondContact O-N 3.11Å; I89-I398 HydrophobicContact CD1-CG2 3.83Å; I89-I398 HydrophobicContact CG1-CD1 4.36Å; I89-I398 HydrophobicContact CG1-CG1 4.28Å; I89-I398 HydrophobicContact CG1-CG2 4.03Å; I89-I398 HydrophobicContact CG2-CD1 4.3Å; I89-L403 HydrophobicContact CD1-CD1 3.59Å; I89-Y432 HydrophobicContact CG2-CD1 4.22Å; I89-M435 HydrophobicContact CG2-CE 3.99Å
90K98Very high97.4Very high59 Ų5931.7 Ų31.726%0.25716%0.155SC..Hα-helixtrans-58.5-44175.5174.6177.9-169.1176.50111.9P86 E87 I88 V94 K95 Y432P86-K90 WeakPolarHBondContact O-CB 3.21Å; P86-K90 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CB 3.36Å; E87-K90 PolarHBondContact O-N 3.06Å; I88-K90 VanDerWaalsContact C-N 3.33Å; I88-K90 PolarHBondContact O-N 2.81Å; K90-V94 WeakPolarHBondContact O-CA 3.29Å; K90-V94 WeakPolarHBondContact O-CB 3.33Å; K90-V94 PolarHBondContact O-N 3.23Å; K90-K95 PolarHBondContact O-N 2.66Å; K90-K95 VanDerWaalsContact O-N 3.16Å; K90-Y432 HydrophobicContact CB-CD1 3.82Å; K90-Y432 HydrophobicContact CB-CD2 4.21Å; K90-Y432 HydrophobicContact CB-CE1 3.53Å; K90-Y432 HydrophobicContact CB-CE2 3.94Å; K90-Y432 HydrophobicContact CB-CG 4.16Å; K90-Y432 HydrophobicContact CD-CD2 4.49Å; K90-Y432 HydrophobicContact CD-CE1 4.33Å; K90-Y432 HydrophobicContact CD-CE2 3.63Å; K90-Y432 WeakPolarHBondContact CD-OH 3.42Å; K90-Y432 WeakPolarHBondContact CE-OH 3.21Å; K90-Y432 HydrophobicContact CG-CD1 4.5Å; K90-Y432 HydrophobicContact CG-CE1 3.73Å; K90-Y432 HydrophobicContact CG-CE2 3.97Å; K90-Y432 VanDerWaalsContact CG-CZ 3.41Å; K90-Y432 WeakPolarHBondContact CG-OH 3.35Å
91A98Very high97.5Very high9 Ų931.6 Ų31.67%0.07416%0.155CC..Iπ-helixtrans-60.7-48.7176.600000111.2E87 I88 I89 K95 E96 I385E87-A91 PolarHBondContact O-N 3.07Å; I88-A91 WeakPolarHBondContact O-CB 3.27Å; I88-A91 PolarHBondContact O-N 3.47Å; I88-A91 VanDerWaalsContact O-N 3.16Å; I89-A91 VanDerWaalsContact C-N 3.32Å; I89-A91 PolarHBondContact O-N 3.17Å; A91-K95 PolarHBondContact O-N 2.88Å; A91-E96 WeakPolarHBondContact O-CB 3.36Å; A91-E96 PolarHBondContact O-N 2.85Å; A91-I385 HydrophobicContact CB-CD1 4.25Å; A91-I385 HydrophobicContact CB-CG2 3.59Å
92I98.1Very high97.4Very high0 Ų031.6 Ų31.60%016%0.155CC..Iπ-helixtrans-69.1-49.2-176.3-68.3176.2000112.5V83 I88 I89 F101 R377 I385 I390 V396V83-I92 HydrophobicContact CG2-CD1 4.46Å; I88-I92 HydrophobicContact CG2-CD1 3.78Å; I88-I92 HydrophobicContact CG2-CG1 4.31Å; I88-I92 WeakPolarHBondContact O-CG1 3.39Å; I88-I92 PolarHBondContact O-N 2.93Å; I89-I92 PolarHBondContact O-N 3.24Å; I92-F101 HydrophobicContact CB-CD2 4.35Å; I92-F101 HydrophobicContact CB-CG 4.33Å; I92-F101 HydrophobicContact CD1-CE1 4.44Å; I92-F101 HydrophobicContact CD1-CZ 4.48Å; I92-F101 HydrophobicContact CG1-CD1 4.4Å; I92-F101 HydrophobicContact CG1-CD2 4.19Å; I92-F101 HydrophobicContact CG1-CE1 4.18Å; I92-F101 HydrophobicContact CG1-CE2 3.99Å; I92-F101 HydrophobicContact CG1-CG 4.4Å; I92-F101 HydrophobicContact CG1-CZ 3.97Å; I92-F101 HydrophobicContact CG2-CB 4.06Å; I92-F101 HydrophobicContact CG2-CD1 3.87Å; I92-F101 HydrophobicContact CG2-CD2 4.33Å; I92-F101 HydrophobicContact CG2-CE1 4.41Å; I92-F101 HydrophobicContact CG2-CG 3.81Å; I92-F101 WeakPolarHBondContact O-CB 3.47Å; I92-R377 HydrophobicContact CG2-CB 4.09Å; I92-R377 HydrophobicContact CG2-CG 4.01Å; I92-I385 HydrophobicContact CG1-CD1 4.03Å; I92-I390 HydrophobicContact CD1-CD1 4.17Å; I92-V396 HydrophobicContact CD1-CB 4.48Å; I92-V396 HydrophobicContact CD1-CG1 3.72Å
93L98.1Very high97.3Very high0 Ų032.2 Ų32.20%016%0.158CC..Iπ-helixtrans-80.8-26.8-173-67.1-172.6000113.3I89 L375 R377 I398 M435 L439 G440I89-L93 HydrophobicContact CG2-CD1 3.84Å; I89-L93 HydrophobicContact CG2-CG 4.27Å; I89-L93 WeakPolarHBondContact O-CB 3.4Å; I89-L93 PolarHBondContact O-N 3.11Å; L93-L375 HydrophobicContact CD1-CD1 4.13Å; L93-R377 HydrophobicContact CD2-CG 4.05Å; L93-I398 HydrophobicContact CD1-CD1 3.59Å; L93-I398 HydrophobicContact CD2-CD1 3.55Å; L93-I398 HydrophobicContact CG-CD1 3.49Å; L93-I398 VanDerWaalsContact CG-CD1 3.49Å; L93-M435 HydrophobicContact CD1-SD 4.11Å; L93-L439 HydrophobicContact CB-CB 4.32Å; L93-L439 HydrophobicContact CD1-CB 4.01Å; L93-L439 HydrophobicContact CD1-CD1 4.37Å; L93-G440 WeakPolarHBondContact O-CA 3.37Å
94V97.9Very high97.1Very high58 Ų5836.1 Ų36.135%0.35217%0.172SC..Iπ-helixtrans-120-67.2-171.4-172.60000111.9K90 E96 Y432K90-V94 WeakPolarHBondContact O-CA 3.29Å; K90-V94 WeakPolarHBondContact O-CB 3.33Å; K90-V94 PolarHBondContact O-N 3.23Å; V94-E96 PolarHBondContact O-N 2.78Å; V94-Y432 HydrophobicContact CG2-CE1 4.16Å
95K97.6Very high96.5Very high126 Ų12639.7 Ų39.755%0.54819%0.186SC..Iπ-helixtrans-63.2-48.5-168.8-61.2-179.2176173.70112.1K90 A91K90-K95 PolarHBondContact O-N 2.66Å; K90-K95 VanDerWaalsContact O-N 3.16Å; A91-K95 PolarHBondContact O-N 2.88Å
96E97.5Very high95.3Very high55 Ų5541.9 Ų41.926%0.25720%0.197SC..THydrogen-bonded Turntrans-103.217.8-173.4-57-56.9148.600112.8A91 V94 Y98 T99 A100 F101 M383A91-E96 WeakPolarHBondContact O-CB 3.36Å; A91-E96 PolarHBondContact O-N 2.85Å; V94-E96 PolarHBondContact O-N 2.78Å; E96-Y98 PolarHBondContact O-N 2.79Å; E96-T99 WeakPolarHBondContact CA-OG1 3.36Å; E96-T99 WeakPolarHBondContact CB-OG1 3.5Å; E96-T99 PolarHBondContact O-N 3.04Å; E96-T99 PolarHBondContact O-OG1 2.71Å; E96-T99 VanDerWaalsContact O-OG1 3.12Å; E96-T99 PolarHBondContact OE2-OG1 2.72Å; E96-A100 HydrophobicContact CB-CB 4.48Å; E96-A100 PolarHBondContact O-N 3.06Å; E96-F101 HydrophobicContact CB-CD2 3.8Å; E96-F101 HydrophobicContact CB-CE2 4.17Å; E96-F101 PolarHBondContact O-N 2.74Å; E96-M383 HydrophobicContact CG-CE 4.07Å
97C97.1Very high93.6Very high0 Ų046 Ų460%022%0.217CC..THydrogen-bonded Turntrans-61.6-42.4-177.5-1780000111.7F101 T102 P441C97-F101 CarbonylContact O-C 3.56Å; C97-F101 VanDerWaalsContact O-C 3.25Å; C97-T102 WeakPolarHBondContact O-CA 3.5Å; C97-T102 VanDerWaalsContact O-CB 3.31Å; C97-T102 WeakPolarHBondContact O-CB 3.31Å; C97-T102 PolarHBondContact O-N 3.38Å; C97-T102 PolarHBondContact O-OG1 2.9Å; C97-P441 HydrophobicContact CB-CG 4.12Å
98Y95.8Very high91.5Very high121 Ų12144.2 Ų44.248%0.47521%0.21SC..THydrogen-bonded Turntrans-85.3-23.1-177.9-64.3-57.6000113.7E96 T102 W126 K127 P441E96-Y98 PolarHBondContact O-N 2.79Å; Y98-T102 PolarHBondContact O-OG1 3.34Å; Y98-W126 HydrophobicContact CD1-CZ3 4.06Å; Y98-W126 HydrophobicContact CE1-CH2 4Å; Y98-W126 AromaticContact CE1-CZ3 3.67Å; Y98-W126 HydrophobicContact CE1-CZ3 3.67Å; Y98-K127 HydrophobicContact CD1-CD 4.23Å; Y98-K127 VanDerWaalsContact CD1-CE 3.48Å; Y98-K127 HydrophobicContact CD1-CG 4.4Å; Y98-K127 HydrophobicContact CE1-CD 4.38Å; Y98-K127 HydrophobicContact CE1-CG 4.25Å; Y98-P441 HydrophobicContact CD2-CG 4.43Å; Y98-P441 HydrophobicContact CE1-CB 3.9Å; Y98-P441 HydrophobicContact CE1-CG 4.26Å; Y98-P441 HydrophobicContact CE2-CB 4.17Å; Y98-P441 HydrophobicContact CE2-CG 3.67Å; Y98-P441 WeakPolarHBondContact OH-CB 3.5Å
99T95.1Very high89Confident83 Ų8346 Ų4651%0.50923%0.23SC..THydrogen-bonded Turntrans-86.8-56.2-176.149.90000111.3E96 K380E96-T99 WeakPolarHBondContact CA-OG1 3.36Å; E96-T99 WeakPolarHBondContact CB-OG1 3.5Å; E96-T99 PolarHBondContact O-N 3.04Å; E96-T99 PolarHBondContact O-OG1 2.71Å; E96-T99 VanDerWaalsContact O-OG1 3.12Å; E96-T99 PolarHBondContact OE2-OG1 2.72Å; T99-K380 WeakPolarHBondContact O-CE 3.21Å
100A96.6Very high86.6Confident1 Ų151.8 Ų51.81%0.00826%0.261CS..THydrogen-bonded Turntrans-122.2-31.1-169.500000114.2E96 C379 K380 M383E96-A100 HydrophobicContact CB-CB 4.48Å; E96-A100 PolarHBondContact O-N 3.06Å; A100-C379 CarbonylContact O-C 3.51Å; A100-C379 WeakPolarHBondContact O-CA 3.44Å; A100-K380 PolarHBondContact O-N 2.82Å; A100-M383 HydrophobicContact CB-CE 4.44Å; A100-M383 HydrophobicContact CB-CG 3.48Å; A100-M383 VanDerWaalsContact CB-CG 3.48Å; A100-M383 HydrophobicContact CB-SD 3.89Å
101F97.5Very high84.3Confident0 Ų052.2 Ų52.20%028%0.282CS..  trans-11844.1-170.5-62-80.3000112.8I92 E96 C97 R377 C379 M383 I385 I390 V396I92-F101 HydrophobicContact CB-CD2 4.35Å; I92-F101 HydrophobicContact CB-CG 4.33Å; I92-F101 HydrophobicContact CD1-CE1 4.44Å; I92-F101 HydrophobicContact CD1-CZ 4.48Å; I92-F101 HydrophobicContact CG1-CD1 4.4Å; I92-F101 HydrophobicContact CG1-CD2 4.19Å; I92-F101 HydrophobicContact CG1-CE1 4.18Å; I92-F101 HydrophobicContact CG1-CE2 3.99Å; I92-F101 HydrophobicContact CG1-CG 4.4Å; I92-F101 HydrophobicContact CG1-CZ 3.97Å; I92-F101 HydrophobicContact CG2-CB 4.06Å; I92-F101 HydrophobicContact CG2-CD1 3.87Å; I92-F101 HydrophobicContact CG2-CD2 4.33Å; I92-F101 HydrophobicContact CG2-CE1 4.41Å; I92-F101 HydrophobicContact CG2-CG 3.81Å; I92-F101 WeakPolarHBondContact O-CB 3.47Å; E96-F101 HydrophobicContact CB-CD2 3.8Å; E96-F101 HydrophobicContact CB-CE2 4.17Å; E96-F101 PolarHBondContact O-N 2.74Å; C97-F101 CarbonylContact O-C 3.56Å; C97-F101 VanDerWaalsContact O-C 3.25Å; F101-R377 HydrophobicContact CB-CB 3.94Å; F101-R377 HydrophobicContact CB-CG 4.19Å; F101-R377 HydrophobicContact CD1-CB 4.07Å; F101-R377 HydrophobicContact CG-CB 4.46Å; F101-R377 VanDerWaalsContact O-CD 3.24Å; F101-R377 WeakPolarHBondContact O-CD 3.2Å; F101-C379 HydrophobicContact CD1-CB 4.2Å; F101-C379 HydrophobicContact CE1-CB 3.62Å; F101-C379 VanDerWaalsContact CE1-SG 3.57Å; F101-C379 HydrophobicContact CZ-CB 4.27Å; F101-C379 VanDerWaalsContact CZ-SG 3.59Å; F101-M383 HydrophobicContact CE2-CG 4.26Å; F101-I385 HydrophobicContact CE2-CD1 3.67Å; F101-I385 HydrophobicContact CZ-CD1 3.9Å; F101-I390 HydrophobicContact CE1-CD1 4.42Å; F101-I390 HydrophobicContact CE1-CG2 4.4Å; F101-I390 HydrophobicContact CZ-CD1 3.98Å; F101-I390 HydrophobicContact CZ-CG2 4.49Å; F101-V396 HydrophobicContact CE1-CG2 3.99Å
102T96.9Very high82.5Confident0 Ų052.3 Ų52.30%028%0.284CS..  trans-72.8-43.4-175.7-470000111.2C97 Y98 W126 K380 R442C97-T102 WeakPolarHBondContact O-CA 3.5Å; C97-T102 VanDerWaalsContact O-CB 3.31Å; C97-T102 WeakPolarHBondContact O-CB 3.31Å; C97-T102 PolarHBondContact O-N 3.38Å; C97-T102 PolarHBondContact O-OG1 2.9Å; Y98-T102 PolarHBondContact O-OG1 3.34Å; T102-W126 HydrophobicContact CG2-CE3 3.62Å; T102-W126 HydrophobicContact CG2-CZ3 3.88Å; T102-K380 VanDerWaalsContact OG1-CE 3.26Å; T102-K380 WeakPolarHBondContact OG1-CE 3.28Å; T102-K380 PolarHBondContact OG1-NZ 2.97Å; T102-R442 WeakPolarHBondContact O-CD 3.32Å; T102-R442 PolarHBondContact O-NE 3.4Å; T102-R442 PolarHBondContact O-NH1 2.86Å
103N95.7Very high80.8Confident13 Ų1353.5 Ų53.57%0.0729%0.291CS..BIsolated β-bridgetrans-96155.9-164.4-61-31.1000112.7K122 D123 R377 T378 R442N103-K122 HydrophobicContact CB-CG 4.39Å; N103-K122 VanDerWaalsContact OD1-CA 3.24Å; N103-K122 WeakPolarHBondContact OD1-CA 3.47Å; N103-K122 WeakPolarHBondContact OD1-CB 3.28Å; N103-D123 VanDerWaalsContact ND2-CG 3.33Å; N103-D123 PolarHBondContact ND2-OD1 3.43Å; N103-D123 PolarHBondContact ND2-OD2 2.89Å; N103-D123 PolarHBondContact OD1-N 3.48Å; N103-R377 CarbonylContact O-C 3.6Å; N103-R377 VanDerWaalsContact O-CA 3.25Å; N103-R377 WeakPolarHBondContact O-CA 3.31Å; N103-T378 PolarHBondContact O-N 2.71Å; N103-R442 PolarHBondContact OD1-NH1 2.75Å
104R93.1Very high79.6Confident81 Ų8154.3 Ų54.331%0.30630%0.296SS..  trans-93.5-177.4169-63.9-174.6-179.3171.10.1109.9T378 R442R104-T378 PolarHBondContact O-OG1 3.23Å; R104-T378 VanDerWaalsContact O-OG1 3.06Å; R104-R442 PolarHBondContact NH2-O 3.26Å
105R87.3Confident78.7Confident76 Ų7653.1 Ų53.129%0.28729%0.287SS..  trans-59.7149.5172.781.9-178.9-52.1153-5.1110.6E75 I107 E376 L395E75-R105 IonicContact OE2-CZ 3.07Å; E75-R105 VanDerWaalsContact OE2-CZ 3.26Å; E75-R105 IonicContact OE2-NH1 2.94Å; E75-R105 PolarHBondContact OE2-NH1 3.41Å; E75-R105 IonicContact OE2-NH2 3.26Å; E75-R105 PolarHBondContact OE2-NH2 3.4Å; R105-I107 HydrophobicContact CG-CD1 4.05Å; R105-I107 HydrophobicContact CG-CG1 3.44Å; R105-I107 VanDerWaalsContact CG-CG1 3.44Å; R105-I107 PolarHBondContact O-N 3.07Å; R105-E376 VanDerWaalsContact CB-OE2 3.32Å; R105-E376 WeakPolarHBondContact CB-OE2 3.28Å; R105-E376 WeakPolarHBondContact CD-OE2 3.48Å; R105-E376 WeakPolarHBondContact CG-OE2 3.43Å; R105-E376 IonicContact CZ-OE1 2.74Å; R105-E376 IonicContact NH1-OE1 2.76Å; R105-E376 PolarHBondContact NH1-OE1 3.37Å; R105-L395 HydrophobicContact CB-CD1 3.81Å; R105-L395 HydrophobicContact CB-CD2 4.05Å
106I71.4Confident78.2Confident93 Ų9348.1 Ų48.148%0.47727%0.266SS..  trans-86.6105.8170.5-57.4167.5000107.2I108I106-I108 VanDerWaalsContact CG2-O 3.28Å; I106-I108 WeakPolarHBondContact CG2-O 3.36Å
107I61.4Low77.8Confident98 Ų9845.5 Ų45.550%0.50325%0.254SS..  trans-87.7-42.8178.9-56.5-178.4000110.5R105 F217R105-I107 HydrophobicContact CG-CD1 4.05Å; R105-I107 HydrophobicContact CG-CG1 3.44Å; R105-I107 VanDerWaalsContact CG-CG1 3.44Å; R105-I107 PolarHBondContact O-N 3.07Å; I107-F217 HydrophobicContact CG2-CE1 4.11Å; I107-F217 HydrophobicContact CG2-CZ 3.86Å
108I51.4Low77.6Confident50 Ų5046 Ų4626%0.25626%0.257SS..SBendtrans-110.3130.4-174.6-55.8173.5000107.3I106 M114 D115I106-I108 VanDerWaalsContact CG2-O 3.28Å; I106-I108 WeakPolarHBondContact CG2-O 3.36Å; I108-M114 HydrophobicContact CD1-CB 4.32Å; I108-D115 VanDerWaalsContact CG2-OD1 3.26Å; I108-D115 WeakPolarHBondContact CG2-OD1 3.47Å
109G46.3Very low77.3Confident44 Ų4443.4 Ų43.445%0.45425%0.254SS..  trans-81.4148.617700000110.8G111G109-G111 PolarHBondContact O-N 2.72Å
110D47Very low77Confident121 Ų12141.5 Ų41.565%0.64725%0.247SC*.SBendtrans-38.5102.8-175.4-38.7-38.1000114.3K231D110-K231 PolarHBondContact O-NZ 3.28Å
111G51Low76.8Confident67 Ų6741.7 Ų41.769%0.69125%0.248SC*.SBendtrans139.817.5168.500000117.4G109 D115G109-G111 PolarHBondContact O-N 2.72Å; G111-D115 WeakPolarHBondContact CA-OD2 3.44Å; G111-D115 PolarHBondContact N-OD2 3.27Å
112G60Low76.5Confident12 Ų1245.6 Ų45.612%0.12427%0.265CS..  trans-98.6156.3178.900000113.9M114 D115G112-M114 PolarHBondContact O-N 3.49Å; G112-D115 VanDerWaalsContact N-CG 3.32Å; G112-D115 PolarHBondContact N-OD2 3.42Å; G112-D115 VanDerWaalsContact O-CB 3.26Å; G112-D115 WeakPolarHBondContact O-CB 3.45Å; G112-D115 PolarHBondContact O-N 2.87Å
113P61.4Low76.4Confident24 Ų2447.5 Ų47.516%0.15628%0.275CS..G310 helixtrans-59.2-34.1-178.619.9-30.5000113D115 V243 Y247 S299P113-D115 VanDerWaalsContact C-N 3.3Å; P113-D115 PolarHBondContact O-N 3.49Å; P113-V243 HydrophobicContact CB-CB 4.35Å; P113-V243 HydrophobicContact CB-CG1 3.24Å; P113-V243 HydrophobicContact CG-CB 3.85Å; P113-V243 HydrophobicContact CG-CG1 3.25Å; P113-V243 HydrophobicContact CG-CG2 3.77Å; P113-Y247 VanDerWaalsContact C-OH 3.22Å; P113-Y247 HydrophobicContact CB-CE1 4.41Å; P113-Y247 HydrophobicContact CB-CE2 3.83Å; P113-Y247 WeakPolarHBondContact CB-OH 3.31Å; P113-Y247 PolarHBondContact O-OH 3.23Å; P113-S299 PolarHBondContact O-OG 2.93Å; P113-S299 VanDerWaalsContact O-OG 3.08Å
114M72.9Confident76.3Confident18 Ų1850.3 Ų50.39%0.08929%0.287CS..G310 helixtrans-84.56.1179.3-67.4-69.5-70.800114.3I108 G112 D116 A117 M238 L302 T303I108-M114 HydrophobicContact CD1-CB 4.32Å; G112-M114 PolarHBondContact O-N 3.49Å; M114-D116 PolarHBondContact O-N 3.24Å; M114-A117 HydrophobicContact CE-CB 3.96Å; M114-A117 WeakPolarHBondContact O-CB 3.26Å; M114-A117 PolarHBondContact O-N 3.26Å; M114-A117 VanDerWaalsContact O-N 3.12Å; M114-M238 HydrophobicContact CG-SD 4.04Å; M114-L302 HydrophobicContact CG-CD2 4.36Å; M114-L302 HydrophobicContact SD-CB 4Å; M114-L302 HydrophobicContact SD-CD2 3.64Å; M114-L302 HydrophobicContact SD-CG 3.75Å; M114-T303 WeakPolarHBondContact CE-OG1 3.17Å
115D78.9Confident76.4Confident32 Ų3249.4 Ų49.417%0.17128%0.284CS..G310 helixtrans-66.3-26.9-178.6-73.3-1.3000112.5I108 G111 G112 P113 A117 V121I108-D115 VanDerWaalsContact CG2-OD1 3.26Å; I108-D115 WeakPolarHBondContact CG2-OD1 3.47Å; G111-D115 WeakPolarHBondContact CA-OD2 3.44Å; G111-D115 PolarHBondContact N-OD2 3.27Å; G112-D115 VanDerWaalsContact N-CG 3.32Å; G112-D115 PolarHBondContact N-OD2 3.42Å; G112-D115 VanDerWaalsContact O-CB 3.26Å; G112-D115 WeakPolarHBondContact O-CB 3.45Å; G112-D115 PolarHBondContact O-N 2.87Å; P113-D115 VanDerWaalsContact C-N 3.3Å; P113-D115 PolarHBondContact O-N 3.49Å; D115-A117 VanDerWaalsContact C-N 3.33Å; D115-V121 VanDerWaalsContact O-CG1 3.27Å; D115-V121 WeakPolarHBondContact O-CG1 3.34Å
116D87.6Confident76.8Confident21 Ų2146 Ų4611%0.11227%0.271CS..G310 helixtrans-88.3-3.5178.8-73.82.1000112.6M114 V121 R125 H295 E296 S299 Q300M114-D116 PolarHBondContact O-N 3.24Å; D116-V121 WeakPolarHBondContact O-CG1 3.27Å; D116-R125 IonicContact OD1-CZ 3.62Å; D116-R125 IonicContact OD1-NH1 2.59Å; D116-R125 PolarHBondContact OD1-NH1 3.39Å; D116-R125 IonicContact OD1-NH2 2.71Å; D116-R125 PolarHBondContact OD1-NH2 2.96Å; D116-R125 IonicContact OD2-CZ 3.2Å; D116-R125 IonicContact OD2-NH2 3.61Å; D116-R125 PolarHBondContact OD2-NH2 3.47Å; D116-H295 IonicContact OD2-CE1 2.78Å; D116-H295 IonicContact OD2-CG 3.62Å; D116-H295 IonicContact OD2-ND1 2.52Å; D116-H295 PolarHBondContact OD2-ND1 3.24Å; D116-E296 HydrophobicContact CB-CG 4.03Å; D116-S299 WeakPolarHBondContact CB-OG 3.45Å; D116-Q300 PolarHBondContact O-NE2 3.25Å
117A88.9Confident78Confident0 Ų044.4 Ų44.40%026%0.261CS..SBendtrans-61.9141.2175.600000111.6M114 D115 T119 A120 V121 T303M114-A117 HydrophobicContact CE-CB 3.96Å; M114-A117 WeakPolarHBondContact O-CB 3.26Å; M114-A117 PolarHBondContact O-N 3.26Å; M114-A117 VanDerWaalsContact O-N 3.12Å; D115-A117 VanDerWaalsContact C-N 3.33Å; A117-T119 PolarHBondContact O-N 3.02Å; A117-A120 HydrophobicContact CB-CB 4.48Å; A117-A120 PolarHBondContact O-N 3.19Å; A117-V121 WeakPolarHBondContact O-CG2 3.3Å; A117-V121 PolarHBondContact O-N 3.48Å; A117-T303 WeakPolarHBondContact CB-OG1 3.34Å
118V93.1Very high79.6Confident11 Ų1139.9 Ų39.97%0.06724%0.238CC..THydrogen-bonded Turntrans-54.8-23.7175.669.20000113.4W126 I129 R130 I133 Q300 T303V118-W126 VanDerWaalsContact O-CD1 3.28Å; V118-I129 HydrophobicContact CB-CG2 3.86Å; V118-I129 HydrophobicContact CG2-CG2 4.07Å; V118-R130 HydrophobicContact CG2-CB 4.2Å; V118-I133 HydrophobicContact CB-CD1 3.93Å; V118-I133 HydrophobicContact CG1-CD1 3.78Å; V118-I133 HydrophobicContact CG2-CD1 3.91Å; V118-Q300 VanDerWaalsContact CB-OE1 3.25Å; V118-T303 HydrophobicContact CG1-CG2 4.46Å
119T90.3Very high81.7Confident67 Ų6737.5 Ų37.541%0.41123%0.225SC..THydrogen-bonded Turntrans-75.1-25176.552.70000112.9A117 T303A117-T119 PolarHBondContact O-N 3.02Å; T119-T303 HydrophobicContact CG2-CG2 4Å
120A88.8Confident84.1Confident43 Ų4337.1 Ų37.136%0.35521%0.21SC..THydrogen-bonded Turntrans-107.6-40.3-173.600000114A117A117-A120 HydrophobicContact CB-CB 4.48Å; A117-A120 PolarHBondContact O-N 3.19Å
121V91.4Very high86.4Confident5 Ų533.2 Ų33.23%0.0319%0.194CC..  trans-58.6158.5-175.9-68.30000113.2D115 D116 A117 R125 W126 I129 R442D115-V121 VanDerWaalsContact O-CG1 3.27Å; D115-V121 WeakPolarHBondContact O-CG1 3.34Å; D116-V121 WeakPolarHBondContact O-CG1 3.27Å; A117-V121 WeakPolarHBondContact O-CG2 3.3Å; A117-V121 PolarHBondContact O-N 3.48Å; V121-R125 HydrophobicContact CB-CG 4.27Å; V121-R125 HydrophobicContact CG1-CG 4.28Å; V121-W126 HydrophobicContact CG2-CB 3.82Å; V121-W126 HydrophobicContact CG2-CG 4.49Å; V121-I129 HydrophobicContact CB-CD1 4.48Å; V121-I129 HydrophobicContact CG1-CD1 3.98Å; V121-I129 HydrophobicContact CG2-CD1 4.03Å; V121-R442 PolarHBondContact O-NH2 3.41Å
122K91.9Very high88.5Confident82 Ų8230.1 Ų30.136%0.35716%0.162SC..  trans-117.1156.4-171.4-62.8175.7-168.2156.80112.4N103 E124 R125 W126N103-K122 HydrophobicContact CB-CG 4.39Å; N103-K122 VanDerWaalsContact OD1-CA 3.24Å; N103-K122 WeakPolarHBondContact OD1-CA 3.47Å; N103-K122 WeakPolarHBondContact OD1-CB 3.28Å; K122-E124 PolarHBondContact O-N 3.46Å; K122-R125 WeakPolarHBondContact O-CB 3.5Å; K122-R125 PolarHBondContact O-N 3.45Å; K122-W126 PolarHBondContact O-N 3.32Å
123D94.1Very high90.2Very high40 Ų4029.6 Ų29.621%0.21416%0.157CC..Hα-helixtrans50.9-129.6162.5-58.9-57.6000114.6N103 R125 W126 K127 K380N103-D123 VanDerWaalsContact ND2-CG 3.33Å; N103-D123 PolarHBondContact ND2-OD1 3.43Å; N103-D123 PolarHBondContact ND2-OD2 2.89Å; N103-D123 PolarHBondContact OD1-N 3.48Å; D123-R125 VanDerWaalsContact C-N 3.27Å; D123-R125 PolarHBondContact O-N 2.91Å; D123-W126 WeakPolarHBondContact O-CB 3.43Å; D123-W126 PolarHBondContact O-N 3.42Å; D123-W126 VanDerWaalsContact O-N 3.16Å; D123-K127 PolarHBondContact O-N 3.37Å; D123-K380 WeakPolarHBondContact OD1-CD 3.47Å; D123-K380 WeakPolarHBondContact OD1-CE 3.46Å; D123-K380 IonicContact OD1-NZ 3.26Å; D123-K380 PolarHBondContact OD1-NZ 2.96Å
124E95Very high91.8Very high71 Ų7130.5 Ų30.533%0.33216%0.164SC..Hα-helixtrans-62.5-35-176.9-60.6-48.5124.600112K122 W126 K127 R128 Q287K122-E124 PolarHBondContact O-N 3.46Å; E124-W126 PolarHBondContact O-N 3.23Å; E124-K127 PolarHBondContact O-N 3.25Å; E124-K127 WeakPolarHBondContact OE1-CE 3.31Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.24Å; E124-K127 WeakPolarHBondContact OE2-CD 3.42Å; E124-K127 IonicContact OE2-NZ 2.94Å; E124-K127 PolarHBondContact OE2-NZ 2.81Å; E124-R128 PolarHBondContact O-N 3.49Å; E124-Q287 HydrophobicContact CB-CB 4.24Å; E124-Q287 HydrophobicContact CB-CG 3.9Å
125R94.4Very high92.7Very high63 Ų6332 Ų3224%0.23818%0.175CC..Hα-helixtrans-62.3-43.9174.8-169.1178.4-172.3-164.73.8111.2D116 V121 K122 D123 R128 I129 Q287 E296D116-R125 IonicContact OD1-CZ 3.62Å; D116-R125 IonicContact OD1-NH1 2.59Å; D116-R125 PolarHBondContact OD1-NH1 3.39Å; D116-R125 IonicContact OD1-NH2 2.71Å; D116-R125 PolarHBondContact OD1-NH2 2.96Å; D116-R125 IonicContact OD2-CZ 3.2Å; D116-R125 IonicContact OD2-NH2 3.61Å; D116-R125 PolarHBondContact OD2-NH2 3.47Å; V121-R125 HydrophobicContact CB-CG 4.27Å; V121-R125 HydrophobicContact CG1-CG 4.28Å; K122-R125 WeakPolarHBondContact O-CB 3.5Å; K122-R125 PolarHBondContact O-N 3.45Å; D123-R125 VanDerWaalsContact C-N 3.27Å; D123-R125 PolarHBondContact O-N 2.91Å; R125-R128 PolarHBondContact O-N 2.99Å; R125-I129 HydrophobicContact CG-CD1 4.16Å; R125-I129 WeakPolarHBondContact O-CB 3.47Å; R125-I129 WeakPolarHBondContact O-CG1 3.22Å; R125-I129 PolarHBondContact O-N 2.93Å; R125-Q287 HydrophobicContact CB-CG 4.43Å; R125-E296 IonicContact CZ-OE1 2.67Å; R125-E296 VanDerWaalsContact CZ-OE1 3.26Å; R125-E296 IonicContact NE-OE1 2.88Å; R125-E296 PolarHBondContact NE-OE1 2.86Å; R125-E296 IonicContact NH2-OE1 2.96Å; R125-E296 PolarHBondContact NH2-OE1 2.65Å
126W95.6Very high93.2Very high4 Ų430.5 Ų30.52%0.01517%0.167CC..Hα-helixtrans-60.8-44.5172.6169.372.8000112.1Y98 T102 V118 V121 K122 D123 E124 R128 I129 R130 P441 R442Y98-W126 HydrophobicContact CD1-CZ3 4.06Å; Y98-W126 HydrophobicContact CE1-CH2 4Å; Y98-W126 AromaticContact CE1-CZ3 3.67Å; Y98-W126 HydrophobicContact CE1-CZ3 3.67Å; T102-W126 HydrophobicContact CG2-CE3 3.62Å; T102-W126 HydrophobicContact CG2-CZ3 3.88Å; V118-W126 VanDerWaalsContact O-CD1 3.28Å; V121-W126 HydrophobicContact CG2-CB 3.82Å; V121-W126 HydrophobicContact CG2-CG 4.49Å; K122-W126 PolarHBondContact O-N 3.32Å; D123-W126 WeakPolarHBondContact O-CB 3.43Å; D123-W126 PolarHBondContact O-N 3.42Å; D123-W126 VanDerWaalsContact O-N 3.16Å; E124-W126 PolarHBondContact O-N 3.23Å; W126-R128 PolarHBondContact O-N 3.42Å; W126-I129 PolarHBondContact O-N 2.98Å; W126-R130 HydrophobicContact CZ2-CB 4.28Å; W126-R130 HydrophobicContact CZ2-CG 4.05Å; W126-R130 WeakPolarHBondContact O-CB 3.39Å; W126-R130 PolarHBondContact O-N 3.14Å; W126-P441 HydrophobicContact CH2-CB 3.89Å; W126-P441 WeakPolarHBondContact CZ2-O 3.43Å; W126-R442 VanDerWaalsContact CD1-CZ 3.41Å; W126-R442 VanDerWaalsContact CG-CZ 3.44Å; W126-R442 HydrophobicContact CH2-CB 3.91Å; W126-R442 HydrophobicContact CH2-CG 4.24Å; W126-R442 HydrophobicContact CZ2-CB 3.5Å; W126-R442 HydrophobicContact CZ2-CG 3.47Å; W126-R442 VanDerWaalsContact CZ2-CG 3.47Å
127K95.9Very high93.5Very high60 Ų6030.3 Ų30.326%0.26117%0.165SC..Hα-helixtrans-60.3-46.6178.6-67.6179.4-168.9164.70111.3Y98 D123 E124 R130 A131Y98-K127 HydrophobicContact CD1-CD 4.23Å; Y98-K127 VanDerWaalsContact CD1-CE 3.48Å; Y98-K127 HydrophobicContact CD1-CG 4.4Å; Y98-K127 HydrophobicContact CE1-CD 4.38Å; Y98-K127 HydrophobicContact CE1-CG 4.25Å; D123-K127 PolarHBondContact O-N 3.37Å; E124-K127 PolarHBondContact O-N 3.25Å; E124-K127 WeakPolarHBondContact OE1-CE 3.31Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.24Å; E124-K127 WeakPolarHBondContact OE2-CD 3.42Å; E124-K127 IonicContact OE2-NZ 2.94Å; E124-K127 PolarHBondContact OE2-NZ 2.81Å; K127-R130 PolarHBondContact O-N 3.3Å; K127-A131 VanDerWaalsContact O-CB 3.22Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.46Å
128R96.1Very high93.7Very high3 Ų333.5 Ų33.51%0.01119%0.185CC..Hα-helixtrans-58.5-55.3176.7-179.4-172.170.1-171.3-4.1111.5E124 R125 W126 R130 A131 T132 I281 P288 G291 E296E124-R128 PolarHBondContact O-N 3.49Å; R125-R128 PolarHBondContact O-N 2.99Å; W126-R128 PolarHBondContact O-N 3.42Å; R128-R130 VanDerWaalsContact C-N 3.33Å; R128-R130 PolarHBondContact O-N 2.88Å; R128-A131 PolarHBondContact O-N 3.03Å; R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.38Å; R128-T132 PolarHBondContact O-OG1 2.95Å; R128-I281 VanDerWaalsContact NH1-CD1 3.26Å; R128-I281 VanDerWaalsContact NH1-CG1 3.33Å; R128-P288 VanDerWaalsContact CD-O 3.3Å; R128-P288 WeakPolarHBondContact CD-O 3.3Å; R128-P288 VanDerWaalsContact CG-O 3.24Å; R128-P288 WeakPolarHBondContact CG-O 3.46Å; R128-G291 WeakPolarHBondContact CD-O 3.32Å; R128-G291 PolarHBondContact NE-O 3.27Å; R128-E296 IonicContact CZ-OE1 2.66Å; R128-E296 IonicContact CZ-OE2 3.94Å; R128-E296 IonicContact NH2-OE1 3.41Å; R128-E296 PolarHBondContact NH2-OE1 3.12Å; R128-E296 IonicContact NH2-OE2 2.69Å; R128-E296 PolarHBondContact NH2-OE2 3.29Å
129I95.9Very high93.6Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-60.6-47-177.8-67.1-178.5000109.4V118 V121 R125 W126 A131 T132 I133 L292 E296 Q300V118-I129 HydrophobicContact CB-CG2 3.86Å; V118-I129 HydrophobicContact CG2-CG2 4.07Å; V121-I129 HydrophobicContact CB-CD1 4.48Å; V121-I129 HydrophobicContact CG1-CD1 3.98Å; V121-I129 HydrophobicContact CG2-CD1 4.03Å; R125-I129 HydrophobicContact CG-CD1 4.16Å; R125-I129 WeakPolarHBondContact O-CB 3.47Å; R125-I129 WeakPolarHBondContact O-CG1 3.22Å; R125-I129 PolarHBondContact O-N 2.93Å; W126-I129 PolarHBondContact O-N 2.98Å; I129-A131 PolarHBondContact O-N 3.41Å; I129-T132 PolarHBondContact O-N 2.83Å; I129-T132 VanDerWaalsContact O-N 3.1Å; I129-I133 WeakPolarHBondContact O-CG1 3.05Å; I129-I133 PolarHBondContact O-N 3.23Å; I129-L292 HydrophobicContact CB-CD2 4.16Å; I129-L292 HydrophobicContact CG1-CD2 3.82Å; I129-L292 HydrophobicContact CG2-CD2 3.94Å; I129-E296 HydrophobicContact CD1-CG 4.1Å; I129-Q300 HydrophobicContact CG2-CG 4.16Å
130R96.7Very high93.5Very high36 Ų3634.5 Ų34.514%0.13620%0.202CC..Hα-helixtrans-59.8-43.7178.4-178.858-176.9-124.5-4.2112V118 W126 K127 R128 T132 S134 N443 V445V118-R130 HydrophobicContact CG2-CB 4.2Å; W126-R130 HydrophobicContact CZ2-CB 4.28Å; W126-R130 HydrophobicContact CZ2-CG 4.05Å; W126-R130 WeakPolarHBondContact O-CB 3.39Å; W126-R130 PolarHBondContact O-N 3.14Å; K127-R130 PolarHBondContact O-N 3.3Å; R128-R130 VanDerWaalsContact C-N 3.33Å; R128-R130 PolarHBondContact O-N 2.88Å; R130-T132 PolarHBondContact O-N 3.15Å; R130-S134 PolarHBondContact NE-OG 2.81Å; R130-S134 WeakPolarHBondContact O-CB 3.3Å; R130-S134 PolarHBondContact O-N 3.01Å; R130-S134 VanDerWaalsContact O-N 3.07Å; R130-S134 PolarHBondContact O-OG 2.86Å; R130-N443 PolarHBondContact NH1-O 2.83Å; R130-N443 PolarHBondContact NH2-O 3.42Å; R130-N443 PolarHBondContact NH2-OD1 3.48Å; R130-V445 VanDerWaalsContact NH1-CB 3.32Å
131A95.3Very high93.5Very high38 Ų3835.3 Ų35.331%0.31420%0.195SC..Hα-helixtrans-64.8-31.1177.400000112.5K127 R128 I129 P135 K290K127-A131 VanDerWaalsContact O-CB 3.22Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.46Å; R128-A131 PolarHBondContact O-N 3.03Å; I129-A131 PolarHBondContact O-N 3.41Å; A131-P135 WeakPolarHBondContact O-CD 3.47Å; A131-K290 HydrophobicContact CB-CG 4.35Å
132T95.4Very high93.5Very high3 Ų335.1 Ų35.12%0.01819%0.194CC..Hα-helixtrans-77.2-39-179.4-52.70000112.5R128 I129 R130 P135 K290 G291 L292R128-T132 WeakPolarHBondContact O-CB 3.34Å; R128-T132 PolarHBondContact O-N 3.38Å; R128-T132 PolarHBondContact O-OG1 2.95Å; I129-T132 PolarHBondContact O-N 2.83Å; I129-T132 VanDerWaalsContact O-N 3.1Å; R130-T132 PolarHBondContact O-N 3.15Å; T132-P135 VanDerWaalsContact O-CD 3.32Å; T132-P135 WeakPolarHBondContact O-CD 3.29Å; T132-K290 WeakPolarHBondContact OG1-CA 3.45Å; T132-G291 PolarHBondContact OG1-N 3.25Å; T132-L292 HydrophobicContact CG2-CD1 4.12Å; T132-L292 HydrophobicContact CG2-CD2 4.42Å; T132-L292 HydrophobicContact CG2-CG 3.79Å
133I94.6Very high93.5Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-89.6-19.2-178.367.7174.1000114.9V118 I129 P135 C136 L292 Q300 F304 V445V118-I133 HydrophobicContact CB-CD1 3.93Å; V118-I133 HydrophobicContact CG1-CD1 3.78Å; V118-I133 HydrophobicContact CG2-CD1 3.91Å; I129-I133 WeakPolarHBondContact O-CG1 3.05Å; I129-I133 PolarHBondContact O-N 3.23Å; I133-P135 VanDerWaalsContact C-N 3.3Å; I133-C136 VanDerWaalsContact O-CB 3.23Å; I133-C136 WeakPolarHBondContact O-CB 3.36Å; I133-C136 PolarHBondContact O-N 2.98Å; I133-C136 PolarHBondContact O-SG 3.47Å; I133-C136 VanDerWaalsContact O-SG 3.42Å; I133-L292 HydrophobicContact CG2-CD1 4.19Å; I133-Q300 HydrophobicContact CG2-CG 4.05Å; I133-F304 HydrophobicContact CB-CZ 4.08Å; I133-F304 HydrophobicContact CD1-CE1 4.05Å; I133-F304 HydrophobicContact CD1-CZ 4.06Å; I133-F304 HydrophobicContact CG2-CZ 4.29Å; I133-V445 HydrophobicContact CD1-CG1 4.37Å; I133-V445 HydrophobicContact CD1-CG2 4.27Å; I133-V445 HydrophobicContact CG1-CG2 4.26Å
134S94.3Very high93.2Very high44 Ų4439.6 Ų39.631%0.30821%0.214SC..G310 helixtrans-56.3-35.4-179.5-65.60000114R130 C136 F137R130-S134 PolarHBondContact NE-OG 2.81Å; R130-S134 WeakPolarHBondContact O-CB 3.3Å; R130-S134 PolarHBondContact O-N 3.01Å; R130-S134 VanDerWaalsContact O-N 3.07Å; R130-S134 PolarHBondContact O-OG 2.86Å; S134-C136 PolarHBondContact O-N 3.49Å; S134-F137 PolarHBondContact O-N 3.02Å; S134-F137 VanDerWaalsContact O-N 3.07Å
135P92.3Very high92.9Very high50 Ų5036.4 Ų36.433%0.32520%0.199SC..G310 helixtrans-55.6-27173.5-28.837.5000115.4A131 T132 I133 F137 T138 V270A131-P135 WeakPolarHBondContact O-CD 3.47Å; T132-P135 VanDerWaalsContact O-CD 3.32Å; T132-P135 WeakPolarHBondContact O-CD 3.29Å; I133-P135 VanDerWaalsContact C-N 3.3Å; P135-F137 PolarHBondContact O-N 3.28Å; P135-T138 WeakPolarHBondContact O-CG2 3.11Å; P135-T138 PolarHBondContact O-N 3.46Å; P135-T138 PolarHBondContact O-OG1 3.32Å; P135-T138 VanDerWaalsContact O-OG1 3.05Å; P135-V270 HydrophobicContact CB-CG1 4.37Å
136C90.6Very high92.9Very high0 Ų034.1 Ų34.10%019%0.191CC..G310 helixtrans-59.8-26.8175.8-60.20000112.4I133 S134 R141 F267I133-C136 VanDerWaalsContact O-CB 3.23Å; I133-C136 WeakPolarHBondContact O-CB 3.36Å; I133-C136 PolarHBondContact O-N 2.98Å; I133-C136 PolarHBondContact O-SG 3.47Å; I133-C136 VanDerWaalsContact O-SG 3.42Å; S134-C136 PolarHBondContact O-N 3.49Å; C136-R141 WeakPolarHBondContact O-CB 3.3Å; C136-R141 WeakPolarHBondContact O-CG 3.37Å; C136-F267 HydrophobicContact CB-CB 4.21Å; C136-F267 HydrophobicContact CB-CD1 3.61Å; C136-F267 HydrophobicContact CB-CE1 4.09Å; C136-F267 HydrophobicContact CB-CG 3.89Å; C136-F267 WeakPolarHBondContact O-CE1 3.01Å
137F93.2Very high92.7Very high17 Ų1737.7 Ų37.78%0.07522%0.215CC..G310 helixtrans-11222.8-171.4-56.6-78.8000113.2S134 P135 F267 F304 V445 Y449S134-F137 PolarHBondContact O-N 3.02Å; S134-F137 VanDerWaalsContact O-N 3.07Å; P135-F137 PolarHBondContact O-N 3.28Å; F137-F267 HydrophobicContact CD1-CE2 4.29Å; F137-F267 HydrophobicContact CD1-CZ 4.06Å; F137-F267 HydrophobicContact CE1-CD2 4.26Å; F137-F267 AromaticContact CE1-CE2 3.53Å; F137-F267 HydrophobicContact CE1-CE2 3.53Å; F137-F267 AromaticContact CE1-CZ 3.77Å; F137-F267 HydrophobicContact CE1-CZ 3.77Å; F137-F267 HydrophobicContact CZ-CD2 4.23Å; F137-F267 AromaticContact CZ-CE2 3.96Å; F137-F267 HydrophobicContact CZ-CE2 3.96Å; F137-F267 HydrophobicContact CZ-CZ 4.47Å; F137-F304 HydrophobicContact CE2-CE1 4.09Å; F137-F304 HydrophobicContact CE2-CE2 4.13Å; F137-F304 AromaticContact CE2-CZ 3.67Å; F137-F304 HydrophobicContact CE2-CZ 3.67Å; F137-F304 HydrophobicContact CZ-CD1 4.45Å; F137-F304 HydrophobicContact CZ-CD2 4.37Å; F137-F304 HydrophobicContact CZ-CE1 4.07Å; F137-F304 AromaticContact CZ-CE2 3.98Å; F137-F304 HydrophobicContact CZ-CE2 3.98Å; F137-F304 AromaticContact CZ-CZ 3.83Å; F137-F304 HydrophobicContact CZ-CZ 3.83Å; F137-V445 HydrophobicContact CD2-CB 4.45Å; F137-V445 HydrophobicContact CD2-CG1 4.33Å; F137-V445 HydrophobicContact CD2-CG2 3.62Å; F137-V445 HydrophobicContact CE2-CB 4.45Å; F137-V445 HydrophobicContact CE2-CG1 3.87Å; F137-V445 HydrophobicContact CE2-CG2 3.88Å; F137-V445 WeakPolarHBondContact CG-O 3.27Å; F137-V445 HydrophobicContact CZ-CG1 4.34Å; F137-Y449 HydrophobicContact CD1-CG 4.46Å; F137-Y449 HydrophobicContact CE1-CG 4.36Å
138T92.4Very high92.5Very high67 Ų6736.6 Ų36.641%0.41121%0.211SC..SBendtrans-75.1156.7175.957.10000111.9P135 G140 R141 L142P135-T138 WeakPolarHBondContact O-CG2 3.11Å; P135-T138 PolarHBondContact O-N 3.46Å; P135-T138 PolarHBondContact O-OG1 3.32Å; P135-T138 VanDerWaalsContact O-OG1 3.05Å; T138-G140 VanDerWaalsContact C-N 3.25Å; T138-G140 PolarHBondContact O-N 3.32Å; T138-R141 PolarHBondContact O-N 3.28Å; T138-L142 WeakPolarHBondContact O-CG 3.35Å; T138-L142 PolarHBondContact O-N 3.36Å
139S90.8Very high92.4Very high56 Ų5636.5 Ų36.539%0.39221%0.211SC..Hα-helixtrans-53.5-43.2179.5-46.30000112.3L142 K143 R448S139-L142 PolarHBondContact O-N 2.63Å; S139-K143 WeakPolarHBondContact O-CG 3.5Å; S139-K143 PolarHBondContact O-N 3.1Å; S139-R448 VanDerWaalsContact OG-CZ 3.27Å; S139-R448 PolarHBondContact OG-NH1 3.27Å; S139-R448 PolarHBondContact OG-NH2 3.34Å
140G89.8Confident92.3Very high43 Ų4337.8 Ų37.844%0.44322%0.219SC..Hα-helixtrans-63.3-41.5179.100000112.3T138 K143 Q144T138-G140 VanDerWaalsContact C-N 3.25Å; T138-G140 PolarHBondContact O-N 3.32Å; G140-K143 PolarHBondContact O-N 3.13Å; G140-Q144 WeakPolarHBondContact O-CG 3.33Å; G140-Q144 PolarHBondContact O-N 2.94Å
141R87.8Confident92.2Very high59 Ų5939.5 Ų39.522%0.22323%0.229CC..Hα-helixtrans-68.1-40.1177.3-165.262.458.9172.85.4112C136 T138 K143 Q144 V145 G265 F267C136-R141 WeakPolarHBondContact O-CB 3.3Å; C136-R141 WeakPolarHBondContact O-CG 3.37Å; T138-R141 PolarHBondContact O-N 3.28Å; R141-K143 VanDerWaalsContact C-N 3.31Å; R141-K143 PolarHBondContact O-N 2.78Å; R141-Q144 WeakPolarHBondContact O-CB 3.48Å; R141-Q144 PolarHBondContact O-N 3.4Å; R141-Q144 VanDerWaalsContact O-N 3.09Å; R141-V145 WeakPolarHBondContact O-CG2 3.35Å; R141-V145 PolarHBondContact O-N 3.29Å; R141-G265 WeakPolarHBondContact CD-O 3.46Å; R141-G265 PolarHBondContact NH1-O 3.38Å; R141-F267 HydrophobicContact CG-CD1 4.33Å; R141-F267 HydrophobicContact CG-CE1 3.99Å
142L91.3Very high92.2Very high2 Ų237.7 Ų37.71%0.0121%0.214CC..Hα-helixtrans-62.6-38175.9-63.4-178.6000112.3T138 S139 Q144 V145 F146 Y349 R448 Y449 L452T138-L142 WeakPolarHBondContact O-CG 3.35Å; T138-L142 PolarHBondContact O-N 3.36Å; S139-L142 PolarHBondContact O-N 2.63Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 3.24Å; L142-V145 PolarHBondContact O-N 3.25Å; L142-F146 WeakPolarHBondContact O-CB 3.41Å; L142-F146 PolarHBondContact O-N 2.75Å; L142-Y349 HydrophobicContact CB-CE2 4.35Å; L142-R448 HydrophobicContact CD1-CB 3.52Å; L142-Y449 HydrophobicContact CD2-CD2 3.99Å; L142-Y449 HydrophobicContact CD2-CG 4.36Å; L142-L452 HydrophobicContact CB-CD2 4.26Å
143K91.5Very high92.2Very high101 Ų10137.6 Ų37.644%0.43921%0.213SC..Hα-helixtrans-62.2-36.3172.1-72-169-176.5-152.70112.6S139 G140 R141 Y349 E350S139-K143 WeakPolarHBondContact O-CG 3.5Å; S139-K143 PolarHBondContact O-N 3.1Å; G140-K143 PolarHBondContact O-N 3.13Å; R141-K143 VanDerWaalsContact C-N 3.31Å; R141-K143 PolarHBondContact O-N 2.78Å; K143-Y349 HydrophobicContact CD-CD1 4.17Å; K143-Y349 HydrophobicContact CD-CE1 4.34Å; K143-Y349 HydrophobicContact CG-CD1 3.8Å; K143-Y349 HydrophobicContact CG-CD2 3.94Å; K143-Y349 HydrophobicContact CG-CE1 3.88Å; K143-Y349 HydrophobicContact CG-CE2 3.99Å; K143-Y349 HydrophobicContact CG-CG 3.85Å; K143-E350 IonicContact NZ-OE1 3.98Å; K143-E350 PolarHBondContact NZ-OE1 2.94Å
144Q88Confident92.2Very high115 Ų11541.5 Ų41.554%0.53723%0.234SC..Hα-helixtrans-69.9-35176.4-69.6174-8.200112.8G140 R141 L142 P147G140-Q144 WeakPolarHBondContact O-CG 3.33Å; G140-Q144 PolarHBondContact O-N 2.94Å; R141-Q144 WeakPolarHBondContact O-CB 3.48Å; R141-Q144 PolarHBondContact O-N 3.4Å; R141-Q144 VanDerWaalsContact O-N 3.09Å; L142-Q144 VanDerWaalsContact C-N 3.3Å; L142-Q144 PolarHBondContact O-N 3.24Å; Q144-P147 WeakPolarHBondContact O-CD 3.38Å
145V89.5Confident92.2Very high4 Ų441.5 Ų41.52%0.02423%0.227CC..Hα-helixtrans-80.4-22.7178.7174.10000112.1R141 L142 P147 L148 V149 A186 F267 Y449R141-V145 WeakPolarHBondContact O-CG2 3.35Å; R141-V145 PolarHBondContact O-N 3.29Å; L142-V145 PolarHBondContact O-N 3.25Å; V145-P147 VanDerWaalsContact C-CD 3.48Å; V145-L148 WeakPolarHBondContact O-CB 3.28Å; V145-L148 PolarHBondContact O-N 3.15Å; V145-V149 HydrophobicContact CG1-CG2 4.28Å; V145-V149 PolarHBondContact O-N 2.97Å; V145-A186 HydrophobicContact CG1-CB 3.51Å; V145-F267 HydrophobicContact CG2-CE1 4.17Å; V145-Y449 HydrophobicContact CG1-CE2 4.01Å
146F92.9Very high92.4Very high14 Ų1439.3 Ų39.36%0.06121%0.212CC..Hα-helixtrans-51.6-43-175.3-177.7-98.4000115.3L142 L148 V149 V150 I347 S348 Y349 L352 L452 M456L142-F146 WeakPolarHBondContact O-CB 3.41Å; L142-F146 PolarHBondContact O-N 2.75Å; F146-L148 VanDerWaalsContact C-N 3.25Å; F146-L148 PolarHBondContact O-N 3.15Å; F146-V149 WeakPolarHBondContact O-CB 3.47Å; F146-V149 PolarHBondContact O-N 3.09Å; F146-V150 HydrophobicContact CD1-CG2 4.07Å; F146-V150 HydrophobicContact CE1-CG2 3.65Å; F146-V150 HydrophobicContact CZ-CG2 3.97Å; F146-V150 PolarHBondContact O-N 2.89Å; F146-I347 WeakPolarHBondContact CE1-O 3.22Å; F146-I347 WeakPolarHBondContact CZ-O 3.46Å; F146-S348 VanDerWaalsContact CE1-C 3.47Å; F146-S348 WeakPolarHBondContact CZ-O 3.42Å; F146-Y349 HydrophobicContact CB-CD2 4.17Å; F146-Y349 AromaticContact CD2-CD2 3.83Å; F146-Y349 HydrophobicContact CD2-CD2 3.83Å; F146-Y349 VanDerWaalsContact CE1-N 3.28Å; F146-Y349 HydrophobicContact CE2-CD2 4.39Å; F146-Y349 HydrophobicContact CG-CD2 4.05Å; F146-L352 HydrophobicContact CE2-CB 4.44Å; F146-L352 HydrophobicContact CE2-CD2 3.95Å; F146-L452 HydrophobicContact CD2-CD1 3.88Å; F146-L452 HydrophobicContact CD2-CD2 4.15Å; F146-L452 HydrophobicContact CD2-CG 4.21Å; F146-L452 HydrophobicContact CE2-CD1 4.13Å; F146-M456 HydrophobicContact CD2-CE 4.3Å; F146-M456 HydrophobicContact CE1-CE 4.16Å; F146-M456 HydrophobicContact CE2-CE 3.31Å; F146-M456 HydrophobicContact CZ-CE 3.22Å
147P92.4Very high92.6Very high80 Ų8039.9 Ų39.952%0.51922%0.215SC..Hα-helixtrans-57.9-34.4175.8-25.636000113.9Q144 V145 V150 Q151Q144-P147 WeakPolarHBondContact O-CD 3.38Å; V145-P147 VanDerWaalsContact C-CD 3.48Å; P147-V150 PolarHBondContact O-N 3.49Å; P147-Q151 PolarHBondContact O-N 2.98Å
148L91.4Very high92.7Very high37 Ų3745.2 Ų45.219%0.19424%0.24CC..Hα-helixtrans-65.7-42.2174.8-62.6170000110.6V145 F146 V150 Q151 F152V145-L148 WeakPolarHBondContact O-CB 3.28Å; V145-L148 PolarHBondContact O-N 3.15Å; F146-L148 VanDerWaalsContact C-N 3.25Å; F146-L148 PolarHBondContact O-N 3.15Å; L148-V150 VanDerWaalsContact C-N 3.32Å; L148-V150 PolarHBondContact O-N 3.34Å; L148-Q151 WeakPolarHBondContact O-CB 3.42Å; L148-Q151 PolarHBondContact O-N 3.36Å; L148-F152 WeakPolarHBondContact O-CD2 3.48Å; L148-F152 PolarHBondContact O-N 3.1Å
149V94.3Very high92.8Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-60.3-43.6177.8-172.80000110.7V145 F146 A153 V182 V453 M456V145-V149 HydrophobicContact CG1-CG2 4.28Å; V145-V149 PolarHBondContact O-N 2.97Å; F146-V149 WeakPolarHBondContact O-CB 3.47Å; F146-V149 PolarHBondContact O-N 3.09Å; V149-A153 WeakPolarHBondContact O-CB 3.24Å; V149-A153 PolarHBondContact O-N 3.37Å; V149-V182 HydrophobicContact CG2-CG1 4.19Å; V149-V453 HydrophobicContact CG1-CB 4.5Å; V149-V453 HydrophobicContact CG1-CG2 4.22Å; V149-V453 HydrophobicContact CG2-CG2 4.08Å; V149-M456 HydrophobicContact CG1-CB 3.83Å; V149-M456 HydrophobicContact CG1-CG 3.92Å
150V94.6Very high92.9Very high27 Ų2742.7 Ų42.716%0.16422%0.217CC..Hα-helixtrans-59.6-50174.7177.10000110.6F146 P147 L148 F152 A153 D154 M456F146-V150 HydrophobicContact CD1-CG2 4.07Å; F146-V150 HydrophobicContact CE1-CG2 3.65Å; F146-V150 HydrophobicContact CZ-CG2 3.97Å; F146-V150 PolarHBondContact O-N 2.89Å; P147-V150 PolarHBondContact O-N 3.49Å; L148-V150 VanDerWaalsContact C-N 3.32Å; L148-V150 PolarHBondContact O-N 3.34Å; V150-F152 PolarHBondContact O-N 3.3Å; V150-A153 WeakPolarHBondContact O-CB 3.46Å; V150-A153 PolarHBondContact O-N 3.48Å; V150-A153 VanDerWaalsContact O-N 3.09Å; V150-D154 PolarHBondContact O-N 3.05Å; V150-M456 HydrophobicContact CG2-CE 3.48Å; V150-M456 VanDerWaalsContact CG2-CE 3.48Å
151Q93.9Very high93.1Very high73 Ų7343 Ų4334%0.34122%0.22SC..Hα-helixtrans-56.1-46-179.2-179.2-171.3-1.300112.6P147 L148 D154 R155P147-Q151 PolarHBondContact O-N 2.98Å; L148-Q151 WeakPolarHBondContact O-CB 3.42Å; L148-Q151 PolarHBondContact O-N 3.36Å; Q151-D154 PolarHBondContact O-N 3.02Å; Q151-R155 PolarHBondContact O-N 3.06Å
152F94.8Very high93.2Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-73.8-29.2178.2-72.1-68.4000112.7L148 V150 R155 F156 F178 D181 V182 S185 I195L148-F152 WeakPolarHBondContact O-CD2 3.48Å; L148-F152 PolarHBondContact O-N 3.1Å; V150-F152 PolarHBondContact O-N 3.3Å; F152-R155 PolarHBondContact O-N 3.03Å; F152-F156 WeakPolarHBondContact O-CB 3.42Å; F152-F156 PolarHBondContact O-N 3.3Å; F152-F178 HydrophobicContact CB-CD2 4.05Å; F152-F178 HydrophobicContact CB-CE2 3.93Å; F152-D181 HydrophobicContact CD1-CB 3.68Å; F152-D181 HydrophobicContact CE1-CB 3.67Å; F152-D181 HydrophobicContact CG-CB 4.37Å; F152-D181 HydrophobicContact CZ-CB 4.37Å; F152-V182 HydrophobicContact CB-CG2 3.43Å; F152-V182 VanDerWaalsContact CB-CG2 3.43Å; F152-V182 HydrophobicContact CD2-CG2 3.87Å; F152-V182 HydrophobicContact CG-CG2 3.84Å; F152-S185 WeakPolarHBondContact CE2-OG 3.42Å; F152-I195 HydrophobicContact CD1-CD1 4.35Å
153A95.7Very high93.1Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-66.2-42.7173.500000110.2V149 V150 R155 F156 M157 F178 M456V149-A153 WeakPolarHBondContact O-CB 3.24Å; V149-A153 PolarHBondContact O-N 3.37Å; V150-A153 WeakPolarHBondContact O-CB 3.46Å; V150-A153 PolarHBondContact O-N 3.48Å; V150-A153 VanDerWaalsContact O-N 3.09Å; A153-R155 PolarHBondContact O-N 2.97Å; A153-F156 WeakPolarHBondContact O-CB 3.48Å; A153-F156 PolarHBondContact O-N 3.26Å; A153-M157 VanDerWaalsContact O-CG 3.3Å; A153-M157 WeakPolarHBondContact O-CG 3.12Å; A153-M157 PolarHBondContact O-N 3.43Å; A153-F178 HydrophobicContact CB-CE2 4.1Å; A153-M456 HydrophobicContact CB-CG 3.8Å
154D94.6Very high92.9Very high83 Ų8350.2 Ų50.244%0.44427%0.265SS..Hα-helixtrans-61.2-45.3173.7-74.3-27.7000111.8V150 Q151 F156 M157 Q158V150-D154 PolarHBondContact O-N 3.05Å; Q151-D154 PolarHBondContact O-N 3.02Å; D154-F156 VanDerWaalsContact C-N 3.32Å; D154-F156 PolarHBondContact O-N 3.49Å; D154-M157 PolarHBondContact O-N 2.94Å; D154-Q158 WeakPolarHBondContact O-CG 3.43Å; D154-Q158 PolarHBondContact O-N 2.63Å
155R94.8Very high93Very high43 Ų4345.9 Ų45.916%0.16225%0.246CC..Hα-helixtrans-59.2-43.9175.5-169.5-176.1-61.1-178.58.2111.5Q151 F152 A153 Q158 K159 M192 D193 I195Q151-R155 PolarHBondContact O-N 3.06Å; F152-R155 PolarHBondContact O-N 3.03Å; A153-R155 PolarHBondContact O-N 2.97Å; R155-Q158 PolarHBondContact O-N 3.46Å; R155-K159 PolarHBondContact O-N 3.4Å; R155-M192 PolarHBondContact NH1-O 2.85Å; R155-D193 WeakPolarHBondContact CD-OD1 3.36Å; R155-D193 IonicContact CZ-OD1 2.76Å; R155-D193 IonicContact NE-OD1 3.82Å; R155-D193 IonicContact NH1-OD1 2.82Å; R155-D193 PolarHBondContact NH1-OD1 3.37Å; R155-I195 HydrophobicContact CB-CD1 4.33Å; R155-I195 HydrophobicContact CG-CD1 4.32Å; R155-I195 HydrophobicContact CG-CG2 4.37Å
156F96.1Very high92.6Very high4 Ų452.7 Ų52.72%0.01828%0.282CS..Hα-helixtrans-59.9-46.7174.6173.7-87.2000111.5F152 A153 D154 Q158 K159 L160 L174 V175 F178 I195 L457 I461F152-F156 WeakPolarHBondContact O-CB 3.42Å; F152-F156 PolarHBondContact O-N 3.3Å; A153-F156 WeakPolarHBondContact O-CB 3.48Å; A153-F156 PolarHBondContact O-N 3.26Å; D154-F156 VanDerWaalsContact C-N 3.32Å; D154-F156 PolarHBondContact O-N 3.49Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 3.12Å; F156-K159 PolarHBondContact O-N 3.04Å; F156-L160 HydrophobicContact CE1-CB 4.39Å; F156-L160 HydrophobicContact CE1-CD2 3.99Å; F156-L160 WeakPolarHBondContact O-CB 2.99Å; F156-L160 PolarHBondContact O-N 2.94Å; F156-L174 HydrophobicContact CE2-CD1 4.26Å; F156-L174 HydrophobicContact CE2-CG 3.89Å; F156-L174 WeakPolarHBondContact CE2-O 3.26Å; F156-L174 HydrophobicContact CZ-CD1 4.38Å; F156-L174 HydrophobicContact CZ-CD2 4.02Å; F156-L174 HydrophobicContact CZ-CG 3.87Å; F156-V175 HydrophobicContact CE2-CG1 4.3Å; F156-V175 HydrophobicContact CZ-CG1 4.21Å; F156-F178 HydrophobicContact CB-CB 4.46Å; F156-F178 HydrophobicContact CB-CD2 4.04Å; F156-F178 HydrophobicContact CD2-CB 3.86Å; F156-F178 HydrophobicContact CD2-CG 4.5Å; F156-F178 HydrophobicContact CG-CB 4.45Å; F156-I195 HydrophobicContact CB-CD1 4.33Å; F156-L457 HydrophobicContact CB-CD1 4.2Å; F156-L457 HydrophobicContact CD1-CD1 3.42Å; F156-L457 VanDerWaalsContact CD1-CD1 3.42Å; F156-L457 HydrophobicContact CD2-CD1 4.32Å; F156-L457 HydrophobicContact CE1-CD1 3.78Å; F156-L457 HydrophobicContact CE1-CG 4.47Å; F156-L457 HydrophobicContact CG-CD1 3.71Å; F156-L457 HydrophobicContact CZ-CD1 4.36Å; F156-I461 HydrophobicContact CE1-CD1 3.91Å; F156-I461 HydrophobicContact CE1-CG1 3.86Å; F156-I461 HydrophobicContact CZ-CD1 4.24Å
157M95.7Very high92.2Very high12 Ų1253.9 Ų53.96%0.05930%0.298CS..Hα-helixtrans-65.4-34.7-179.6-68.8-50.5-63.400112.8A153 D154 L160 G161 C460 I461 K464 Y465A153-M157 VanDerWaalsContact O-CG 3.3Å; A153-M157 WeakPolarHBondContact O-CG 3.12Å; A153-M157 PolarHBondContact O-N 3.43Å; D154-M157 PolarHBondContact O-N 2.94Å; M157-L160 HydrophobicContact CE-CD2 4.17Å; M157-L160 HydrophobicContact SD-CD2 4.27Å; M157-G161 PolarHBondContact O-N 3.06Å; M157-C460 WeakPolarHBondContact CE-O 3.18Å; M157-C460 HydrophobicContact CG-CB 3.78Å; M157-C460 HydrophobicContact SD-CB 3.95Å; M157-I461 HydrophobicContact SD-CG1 4.06Å; M157-K464 HydrophobicContact CE-CB 3.97Å; M157-K464 HydrophobicContact CE-CD 3.89Å; M157-K464 HydrophobicContact CE-CG 4.21Å; M157-Y465 HydrophobicContact CE-CD2 3.78Å; M157-Y465 HydrophobicContact CE-CE2 3.6Å
158Q94.8Very high92.2Very high130 Ų13052.1 Ų52.161%0.60729%0.287SS*.Hα-helixtrans-62.4-47.6171.7-71.3172.512.500111.2D154 R155 F156 L160 G161 Q162D154-Q158 WeakPolarHBondContact O-CG 3.43Å; D154-Q158 PolarHBondContact O-N 2.63Å; R155-Q158 PolarHBondContact O-N 3.46Å; F156-Q158 VanDerWaalsContact C-N 3.33Å; F156-Q158 PolarHBondContact O-N 3.12Å; Q158-L160 VanDerWaalsContact C-N 3.35Å; Q158-L160 PolarHBondContact O-N 3Å; Q158-G161 PolarHBondContact O-N 2.99Å; Q158-Q162 WeakPolarHBondContact O-CG 3.36Å; Q158-Q162 PolarHBondContact O-N 3.5Å
159K93.5Very high92.4Very high68 Ų6851.3 Ų51.330%0.29628%0.283SS..Hα-helixtrans-62.3-42.1177.1-178.260.9172.9-173.20111.9R155 F156 G161 Q162 T163 I195R155-K159 PolarHBondContact O-N 3.4Å; F156-K159 PolarHBondContact O-N 3.04Å; K159-G161 VanDerWaalsContact C-N 3.33Å; K159-G161 PolarHBondContact O-N 2.99Å; K159-Q162 PolarHBondContact O-N 3.46Å; K159-Q162 VanDerWaalsContact O-N 3.15Å; K159-T163 PolarHBondContact O-N 3.15Å; K159-T163 VanDerWaalsContact O-N 3.15Å; K159-T163 PolarHBondContact O-OG1 3.33Å; K159-I195 HydrophobicContact CB-CG2 3.71Å; K159-I195 HydrophobicContact CG-CG2 3.96Å
160L94.3Very high92.5Very high1 Ų152.6 Ų52.61%0.00529%0.29CS..Hα-helixtrans-61.1-41.7177.4-176.161.8000111.4F156 M157 Q158 Q162 T163 L165 L174 Y465 F493F156-L160 HydrophobicContact CE1-CB 4.39Å; F156-L160 HydrophobicContact CE1-CD2 3.99Å; F156-L160 WeakPolarHBondContact O-CB 2.99Å; F156-L160 PolarHBondContact O-N 2.94Å; M157-L160 HydrophobicContact CE-CD2 4.17Å; M157-L160 HydrophobicContact SD-CD2 4.27Å; Q158-L160 VanDerWaalsContact C-N 3.35Å; Q158-L160 PolarHBondContact O-N 3Å; L160-Q162 PolarHBondContact O-N 3.1Å; L160-T163 WeakPolarHBondContact O-CB 3.27Å; L160-T163 PolarHBondContact O-N 2.99Å; L160-T163 VanDerWaalsContact O-N 3.09Å; L160-L165 HydrophobicContact CD1-CD2 3.84Å; L160-L174 HydrophobicContact CD1-CD1 4.16Å; L160-L174 HydrophobicContact CD1-CD2 3.99Å; L160-Y465 HydrophobicContact CD2-CD2 3.75Å; L160-Y465 HydrophobicContact CD2-CE2 3.62Å; L160-Y465 HydrophobicContact CD2-CG 4.48Å; L160-Y465 HydrophobicContact CG-CE2 4.01Å; L160-F493 HydrophobicContact CD2-CD1 4.36Å
161G92.8Very high92.6Very high51 Ų5151.3 Ų51.353%0.52628%0.282SS..Hα-helixtrans-66.2-18.1176.300000115.1M157 Q158 K159 Y465M157-G161 PolarHBondContact O-N 3.06Å; Q158-G161 PolarHBondContact O-N 2.99Å; K159-G161 VanDerWaalsContact C-N 3.33Å; K159-G161 PolarHBondContact O-N 2.99Å; G161-Y465 WeakPolarHBondContact CA-OH 3.44Å
162Q91.1Very high92.5Very high150 Ų15050.3 Ų50.370%0.70128%0.277SS*.Hα-helixtrans-96.1-8.5174.1-64.1170.84.100112.9Q158 K159 L160Q158-Q162 WeakPolarHBondContact O-CG 3.36Å; Q158-Q162 PolarHBondContact O-N 3.5Å; K159-Q162 PolarHBondContact O-N 3.46Å; K159-Q162 VanDerWaalsContact O-N 3.15Å; L160-Q162 PolarHBondContact O-N 3.1Å
163T89.3Confident92.4Very high48 Ų4857.6 Ų57.629%0.29431%0.308SS..SBendtrans-80.5140.6-177.2-60.10000109.4K159 L160 L165K159-T163 PolarHBondContact O-N 3.15Å; K159-T163 VanDerWaalsContact O-N 3.15Å; K159-T163 PolarHBondContact O-OG1 3.33Å; L160-T163 WeakPolarHBondContact O-CB 3.27Å; L160-T163 PolarHBondContact O-N 2.99Å; L160-T163 VanDerWaalsContact O-N 3.09Å; T163-L165 HydrophobicContact CG2-CD2 4.14Å; T163-L165 WeakPolarHBondContact O-CG 3.41Å; T163-L165 PolarHBondContact O-N 3.2Å; T163-L165 VanDerWaalsContact O-N 3.12Å
164D87.1Confident92.3Very high114 Ų11458.9 Ų58.961%0.6132%0.315SS*.  trans-69.3107.9171.3-178.212.4000109.9N166D164-N166 VanDerWaalsContact OD1-CB 3.3Å; D164-N166 WeakPolarHBondContact OD1-CB 3.18Å; D164-N166 PolarHBondContact OD1-N 2.94Å; D164-N166 VanDerWaalsContact OD1-N 3.1Å; D164-N166 PolarHBondContact OD1-ND2 3.07Å
165L88.6Confident92.3Very high25 Ų2555 Ų5513%0.13129%0.294CS..  trans-92.75.9-177.6-52.1-177.8000113.2L160 T163 G167 I169 Y465 F493L160-L165 HydrophobicContact CD1-CD2 3.84Å; T163-L165 HydrophobicContact CG2-CD2 4.14Å; T163-L165 WeakPolarHBondContact O-CG 3.41Å; T163-L165 PolarHBondContact O-N 3.2Å; T163-L165 VanDerWaalsContact O-N 3.12Å; L165-G167 PolarHBondContact O-N 3.49Å; L165-I169 HydrophobicContact CD2-CD1 3.42Å; L165-I169 VanDerWaalsContact CD2-CD1 3.42Å; L165-Y465 HydrophobicContact CD1-CD1 3.96Å; L165-Y465 HydrophobicContact CD1-CE1 3.35Å; L165-F493 HydrophobicContact CD1-CB 4.26Å; L165-F493 HydrophobicContact CD2-CB 4.38Å
166N81.4Confident92.2Very high147 Ų14753 Ų5379%0.78629%0.287SS*.SBendtrans-70.6-13-177.6-68.8-49.3000113.7D164D164-N166 VanDerWaalsContact OD1-CB 3.3Å; D164-N166 WeakPolarHBondContact OD1-CB 3.18Å; D164-N166 PolarHBondContact OD1-N 2.94Å; D164-N166 VanDerWaalsContact OD1-N 3.1Å; D164-N166 PolarHBondContact OD1-ND2 3.07Å
167G84.8Confident92Very high38 Ų3853.4 Ų53.439%0.39229%0.29SS..SBendtrans-115.7-179.2-177.800000115L165L165-G167 PolarHBondContact O-N 3.49Å
168S93.1Very high91.9Very high43 Ų4352.8 Ų52.830%0.30129%0.287SS..  trans-69.9128.9170.171.60000110.3D472 K490S168-D472 PolarHBondContact OG-OD2 2.75Å; S168-K490 PolarHBondContact OG-NZ 2.76Å; S168-K490 VanDerWaalsContact OG-NZ 3.12Å
169I95.5Very high91.8Very high21 Ų2146.7 Ų46.711%0.10826%0.259CS..EExtended strand (participates in β ladder)trans-106.6129179.1-57.6-178.6000109.9L165 V171 L174 K490 L491 F493L165-I169 HydrophobicContact CD2-CD1 3.42Å; L165-I169 VanDerWaalsContact CD2-CD1 3.42Å; I169-V171 PolarHBondContact O-N 2.64Å; I169-V171 VanDerWaalsContact O-N 3.16Å; I169-L174 HydrophobicContact CG2-CB 4.09Å; I169-L174 HydrophobicContact CG2-CD2 4.08Å; I169-L174 HydrophobicContact CG2-CG 4.48Å; I169-K490 VanDerWaalsContact O-CA 3.24Å; I169-K490 WeakPolarHBondContact O-CA 3.46Å; I169-L491 PolarHBondContact N-O 3.2Å; I169-L491 PolarHBondContact O-N 3.41Å; I169-F493 HydrophobicContact CB-CD2 4.36Å; I169-F493 HydrophobicContact CB-CE2 4.33Å; I169-F493 HydrophobicContact CD1-CD2 3.9Å; I169-F493 HydrophobicContact CG2-CE2 4.49Å
170D95.8Very high91.7Very high26 Ų2643.5 Ų43.514%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-69.2105.4167.9-177.9-27.3000109.1K172 K173 L174 P488D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 3.44Å; D170-K172 PolarHBondContact OD1-N 3.17Å; D170-K173 HydrophobicContact CB-CB 4.12Å; D170-K173 HydrophobicContact CB-CD 4.08Å; D170-K173 HydrophobicContact CB-CG 4.23Å; D170-K173 PolarHBondContact O-N 2.79Å; D170-K173 PolarHBondContact OD1-N 3.21Å; D170-K173 VanDerWaalsContact OD2-CD 3.27Å; D170-K173 WeakPolarHBondContact OD2-CD 3.3Å; D170-K173 WeakPolarHBondContact OD2-CE 3.31Å; D170-K173 WeakPolarHBondContact OD2-CG 3.3Å; D170-K173 IonicContact OD2-NZ 3.84Å; D170-L174 PolarHBondContact O-N 3.09Å; D170-L174 VanDerWaalsContact O-N 3.07Å; D170-P488 WeakPolarHBondContact OD2-CB 3.46Å
171V96.2Very high91.5Very high0 Ų043.4 Ų43.40%025%0.245CC..Hα-helixtrans-63.7-39.6-170.8-176.90000110.9I169 L174 V175 L320 V489 L491 F493I169-V171 PolarHBondContact O-N 2.64Å; I169-V171 VanDerWaalsContact O-N 3.16Å; V171-L174 WeakPolarHBondContact O-CB 3.43Å; V171-L174 PolarHBondContact O-N 3.29Å; V171-V175 HydrophobicContact CG1-CG1 4.38Å; V171-V175 WeakPolarHBondContact O-CG2 3.36Å; V171-V175 PolarHBondContact O-N 3.26Å; V171-L320 HydrophobicContact CG1-CB 4.38Å; V171-L320 HydrophobicContact CG1-CD1 3.7Å; V171-V489 HydrophobicContact CB-CG1 4.46Å; V171-V489 HydrophobicContact CG2-CG1 4.22Å; V171-V489 WeakPolarHBondContact CG2-O 3.26Å; V171-V489 PolarHBondContact N-O 3.2Å; V171-L491 HydrophobicContact CG2-CB 3.82Å; V171-L491 HydrophobicContact CG2-CD1 3.63Å; V171-L491 HydrophobicContact CG2-CG 3.68Å; V171-F493 HydrophobicContact CG2-CE2 4.48Å
172K93.2Very high91.5Very high53 Ų5341.1 Ų41.123%0.2322%0.22CC..Hα-helixtrans-65.8-44.3-179-175.1169.5178168.50110.6D170 L174 V175 A176 E310 T314 S317D170-K172 VanDerWaalsContact C-N 3.31Å; D170-K172 PolarHBondContact O-N 3.44Å; D170-K172 PolarHBondContact OD1-N 3.17Å; K172-L174 PolarHBondContact O-N 3.23Å; K172-V175 PolarHBondContact O-N 3.06Å; K172-A176 WeakPolarHBondContact O-CB 3.47Å; K172-A176 PolarHBondContact O-N 3.42Å; K172-E310 WeakPolarHBondContact CE-OE2 3.36Å; K172-E310 IonicContact NZ-OE1 2.66Å; K172-E310 PolarHBondContact NZ-OE1 2.91Å; K172-E310 IonicContact NZ-OE2 2.88Å; K172-E310 PolarHBondContact NZ-OE2 3.03Å; K172-T314 PolarHBondContact NZ-OG1 3.05Å; K172-S317 VanDerWaalsContact CA-OG 3.3Å; K172-S317 WeakPolarHBondContact CA-OG 3.15Å; K172-S317 PolarHBondContact N-OG 3.27Å
173K91.8Very high91.5Very high152 Ų15234.1 Ų34.166%0.66119%0.188SC*.Hα-helixtrans-62.9-32.4175.8-71.8-177.4-174.4173.70112.8D170 P177D170-K173 HydrophobicContact CB-CB 4.12Å; D170-K173 HydrophobicContact CB-CD 4.08Å; D170-K173 HydrophobicContact CB-CG 4.23Å; D170-K173 PolarHBondContact O-N 2.79Å; D170-K173 PolarHBondContact OD1-N 3.21Å; D170-K173 VanDerWaalsContact OD2-CD 3.27Å; D170-K173 WeakPolarHBondContact OD2-CD 3.3Å; D170-K173 WeakPolarHBondContact OD2-CE 3.31Å; D170-K173 WeakPolarHBondContact OD2-CG 3.3Å; D170-K173 IonicContact OD2-NZ 3.84Å; K173-P177 WeakPolarHBondContact O-CD 3.25Å
174L93.3Very high91.4Very high28 Ų2832 Ų3215%0.14718%0.175CC..Hα-helixtrans-69.2-49.7176.8-17969.6000111.7F156 L160 I169 D170 V171 K172 F493F156-L174 HydrophobicContact CE2-CD1 4.26Å; F156-L174 HydrophobicContact CE2-CG 3.89Å; F156-L174 WeakPolarHBondContact CE2-O 3.26Å; F156-L174 HydrophobicContact CZ-CD1 4.38Å; F156-L174 HydrophobicContact CZ-CD2 4.02Å; F156-L174 HydrophobicContact CZ-CG 3.87Å; L160-L174 HydrophobicContact CD1-CD1 4.16Å; L160-L174 HydrophobicContact CD1-CD2 3.99Å; I169-L174 HydrophobicContact CG2-CB 4.09Å; I169-L174 HydrophobicContact CG2-CD2 4.08Å; I169-L174 HydrophobicContact CG2-CG 4.48Å; D170-L174 PolarHBondContact O-N 3.09Å; D170-L174 VanDerWaalsContact O-N 3.07Å; V171-L174 WeakPolarHBondContact O-CB 3.43Å; V171-L174 PolarHBondContact O-N 3.29Å; K172-L174 PolarHBondContact O-N 3.23Å; L174-F493 HydrophobicContact CD2-CE1 4.24Å; L174-F493 HydrophobicContact CD2-CE2 3.93Å; L174-F493 HydrophobicContact CD2-CZ 3.71Å
175V95.3Very high91.4Very high0 Ų026.6 Ų26.60%015%0.146CC..Hα-helixtrans-92-16.8-170.5-53.80000114.7F156 V171 K172 F178 S179 L316 L320 L457F156-V175 HydrophobicContact CE2-CG1 4.3Å; F156-V175 HydrophobicContact CZ-CG1 4.21Å; V171-V175 HydrophobicContact CG1-CG1 4.38Å; V171-V175 WeakPolarHBondContact O-CG2 3.36Å; V171-V175 PolarHBondContact O-N 3.26Å; K172-V175 PolarHBondContact O-N 3.06Å; V175-F178 PolarHBondContact O-N 3.04Å; V175-S179 PolarHBondContact O-N 2.91Å; V175-S179 VanDerWaalsContact O-N 3.15Å; V175-S179 PolarHBondContact O-OG 3.19Å; V175-L316 HydrophobicContact CB-CD1 4.25Å; V175-L316 HydrophobicContact CG2-CB 3.95Å; V175-L316 HydrophobicContact CG2-CD1 4.29Å; V175-L320 HydrophobicContact CG1-CD1 4.44Å; V175-L457 HydrophobicContact CB-CD2 4.12Å; V175-L457 HydrophobicContact CG1-CD2 4Å
176A92.2Very high91.2Very high3 Ų325.4 Ų25.43%0.02514%0.14CC..Hα-helixtrans-62.6-43.2-18000000113.6K172 F178 S179 L180 Y309K172-A176 WeakPolarHBondContact O-CB 3.47Å; K172-A176 PolarHBondContact O-N 3.42Å; A176-F178 VanDerWaalsContact C-N 3.31Å; A176-F178 PolarHBondContact O-N 3.38Å; A176-S179 WeakPolarHBondContact O-CB 3.45Å; A176-S179 PolarHBondContact O-N 3.01Å; A176-S179 VanDerWaalsContact O-N 3.1Å; A176-L180 PolarHBondContact O-N 3.37Å; A176-Y309 HydrophobicContact CB-CD2 4.48Å; A176-Y309 HydrophobicContact CB-CE2 3.64Å; A176-Y309 WeakPolarHBondContact O-CD2 3.2Å; A176-Y309 VanDerWaalsContact O-CE2 3.3Å; A176-Y309 WeakPolarHBondContact O-CE2 3.24Å
177P91.6Very high91.3Very high11 Ų1118.4 Ų18.47%0.07110%0.102CC..Hα-helixtrans-59.4-38.9175-26.636.3000113.7K173 S179 L180 D181 I195K173-P177 WeakPolarHBondContact O-CD 3.25Å; P177-S179 VanDerWaalsContact C-N 3.34Å; P177-S179 PolarHBondContact O-N 3.34Å; P177-L180 PolarHBondContact O-N 3.4Å; P177-D181 PolarHBondContact O-N 2.97Å; P177-I195 HydrophobicContact CB-CG1 4.24Å
178F93.8Very high91Very high0 Ų016.9 Ų16.90%09%0.085CC..Hα-helixtrans-60.4-44.6173163.7-94.8000111.7F152 A153 F156 V175 A176 L180 D181 V182 I195 V453 L457F152-F178 HydrophobicContact CB-CD2 4.05Å; F152-F178 HydrophobicContact CB-CE2 3.93Å; A153-F178 HydrophobicContact CB-CE2 4.1Å; F156-F178 HydrophobicContact CB-CB 4.46Å; F156-F178 HydrophobicContact CB-CD2 4.04Å; F156-F178 HydrophobicContact CD2-CB 3.86Å; F156-F178 HydrophobicContact CD2-CG 4.5Å; F156-F178 HydrophobicContact CG-CB 4.45Å; V175-F178 PolarHBondContact O-N 3.04Å; A176-F178 VanDerWaalsContact C-N 3.31Å; A176-F178 PolarHBondContact O-N 3.38Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 3.38Å; F178-D181 PolarHBondContact O-N 3.32Å; F178-V182 HydrophobicContact CD2-CG2 3.89Å; F178-V182 HydrophobicContact CE1-CG2 4.28Å; F178-V182 HydrophobicContact CE2-CG2 3.52Å; F178-V182 HydrophobicContact CG-CG2 4.41Å; F178-V182 HydrophobicContact CZ-CG2 3.76Å; F178-V182 WeakPolarHBondContact O-CB 3.38Å; F178-V182 VanDerWaalsContact O-CG2 3.23Å; F178-V182 WeakPolarHBondContact O-CG2 3.15Å; F178-V182 PolarHBondContact O-N 3.46Å; F178-I195 HydrophobicContact CB-CD1 4.22Å; F178-I195 HydrophobicContact CB-CG1 4.3Å; F178-I195 HydrophobicContact CD2-CD1 4.41Å; F178-V453 HydrophobicContact CE1-CG1 3.65Å; F178-V453 HydrophobicContact CZ-CG1 4Å; F178-L457 HydrophobicContact CD1-CB 4.44Å; F178-L457 HydrophobicContact CD1-CD1 4.05Å; F178-L457 HydrophobicContact CD1-CD2 3.62Å; F178-L457 HydrophobicContact CD1-CG 4.25Å; F178-L457 HydrophobicContact CD2-CD1 4.09Å; F178-L457 HydrophobicContact CE1-CB 3.78Å; F178-L457 HydrophobicContact CE1-CD1 3.99Å; F178-L457 HydrophobicContact CE1-CD2 3.81Å; F178-L457 HydrophobicContact CE1-CG 4.07Å; F178-L457 HydrophobicContact CE2-CD1 4.05Å; F178-L457 HydrophobicContact CG-CD1 4.09Å; F178-L457 HydrophobicContact CG-CD2 4.26Å; F178-L457 HydrophobicContact CZ-CB 4.02Å; F178-L457 HydrophobicContact CZ-CD1 3.99Å; F178-L457 HydrophobicContact CZ-CG 4.42Å
179S93.3Very high90.1Very high2 Ų216 Ų161%0.0148%0.079CC..Hα-helixtrans-62.4-37178.3-56.10000111.8V175 A176 P177 V183V175-S179 PolarHBondContact O-N 2.91Å; V175-S179 VanDerWaalsContact O-N 3.15Å; V175-S179 PolarHBondContact O-OG 3.19Å; A176-S179 WeakPolarHBondContact O-CB 3.45Å; A176-S179 PolarHBondContact O-N 3.01Å; A176-S179 VanDerWaalsContact O-N 3.1Å; P177-S179 VanDerWaalsContact C-N 3.34Å; P177-S179 PolarHBondContact O-N 3.34Å; S179-V183 WeakPolarHBondContact O-CG1 3.37Å; S179-V183 PolarHBondContact O-N 2.89Å
180L90.9Very high89.1Confident0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-65.9-54.6176.3-173.356.4000111.3A176 P177 F178 V182 V183 T184 M192 H203 I305 Y309A176-L180 PolarHBondContact O-N 3.37Å; P177-L180 PolarHBondContact O-N 3.4Å; F178-L180 VanDerWaalsContact C-N 3.27Å; F178-L180 PolarHBondContact O-N 3.38Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 2.86Å; L180-V183 VanDerWaalsContact O-CG1 3.3Å; L180-V183 WeakPolarHBondContact O-CG1 3.19Å; L180-V183 PolarHBondContact O-N 2.87Å; L180-T184 HydrophobicContact CD1-CG2 3.88Å; L180-T184 HydrophobicContact CG-CG2 4.4Å; L180-T184 WeakPolarHBondContact O-CG2 3.1Å; L180-T184 PolarHBondContact O-N 3Å; L180-T184 PolarHBondContact O-OG1 3.4Å; L180-M192 HydrophobicContact CD2-CE 4.04Å; L180-M192 HydrophobicContact CG-CE 4.26Å; L180-H203 HydrophobicContact CD2-CB 4.09Å; L180-I305 HydrophobicContact CD1-CG2 3.8Å; L180-Y309 HydrophobicContact CB-CD2 3.64Å; L180-Y309 HydrophobicContact CB-CE2 4.03Å; L180-Y309 HydrophobicContact CD1-CD2 4.24Å; L180-Y309 HydrophobicContact CD1-CG 4.43Å; L180-Y309 HydrophobicContact CG-CD2 4.39Å
181D90.8Very high88Confident0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-60.7-41-176.1-72.6-7.1000111.5F152 P177 F178 T184 S185 M192 S194 I195F152-D181 HydrophobicContact CD1-CB 3.68Å; F152-D181 HydrophobicContact CE1-CB 3.67Å; F152-D181 HydrophobicContact CG-CB 4.37Å; F152-D181 HydrophobicContact CZ-CB 4.37Å; P177-D181 PolarHBondContact O-N 2.97Å; F178-D181 PolarHBondContact O-N 3.32Å; D181-T184 PolarHBondContact O-OG1 2.82Å; D181-S185 WeakPolarHBondContact O-CB 3.42Å; D181-S185 PolarHBondContact O-N 3.14Å; D181-M192 VanDerWaalsContact OD1-CB 3.26Å; D181-M192 WeakPolarHBondContact OD1-CB 3.3Å; D181-S194 WeakPolarHBondContact OD1-CB 3.46Å; D181-S194 PolarHBondContact OD1-N 3.35Å; D181-S194 PolarHBondContact OD1-OG 3.17Å; D181-S194 PolarHBondContact OD2-N 3.23Å; D181-I195 HydrophobicContact CB-CD1 4.46Å; D181-I195 WeakPolarHBondContact OD2-CG1 3.13Å; D181-I195 PolarHBondContact OD2-N 3.08Å; D181-I195 VanDerWaalsContact OD2-N 3.12Å
182V92.6Very high87.1Confident3 Ų320.4 Ų20.42%0.01810%0.1CC..Hα-helixtrans-66.1-43.3178.1174.10000111.8V149 F152 F178 L180 A186 Y449 V453V149-V182 HydrophobicContact CG2-CG1 4.19Å; F152-V182 HydrophobicContact CB-CG2 3.43Å; F152-V182 VanDerWaalsContact CB-CG2 3.43Å; F152-V182 HydrophobicContact CD2-CG2 3.87Å; F152-V182 HydrophobicContact CG-CG2 3.84Å; F178-V182 HydrophobicContact CD2-CG2 3.89Å; F178-V182 HydrophobicContact CE1-CG2 4.28Å; F178-V182 HydrophobicContact CE2-CG2 3.52Å; F178-V182 HydrophobicContact CG-CG2 4.41Å; F178-V182 HydrophobicContact CZ-CG2 3.76Å; F178-V182 WeakPolarHBondContact O-CB 3.38Å; F178-V182 VanDerWaalsContact O-CG2 3.23Å; F178-V182 WeakPolarHBondContact O-CG2 3.15Å; F178-V182 PolarHBondContact O-N 3.46Å; L180-V182 VanDerWaalsContact C-N 3.3Å; L180-V182 PolarHBondContact O-N 2.86Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 3.24Å; V182-Y449 WeakPolarHBondContact CG1-OH 3.2Å; V182-Y449 PolarHBondContact O-OH 2.94Å; V182-V453 HydrophobicContact CB-CG1 4.48Å; V182-V453 HydrophobicContact CG1-CB 4.48Å; V182-V453 HydrophobicContact CG1-CG1 3.91Å; V182-V453 HydrophobicContact CG1-CG2 3.67Å
183V90.6Very high86.6Confident3 Ų320.3 Ų20.32%0.01810%0.102CC..Hα-helixtrans-71.8-38.3-179.873.50000112.3S179 L180 S187 F304 I305 Y449S179-V183 WeakPolarHBondContact O-CG1 3.37Å; S179-V183 PolarHBondContact O-N 2.89Å; L180-V183 VanDerWaalsContact O-CG1 3.3Å; L180-V183 WeakPolarHBondContact O-CG1 3.19Å; L180-V183 PolarHBondContact O-N 2.87Å; V183-S187 WeakPolarHBondContact O-CB 3.37Å; V183-S187 PolarHBondContact O-N 3.15Å; V183-S187 PolarHBondContact O-OG 3.31Å; V183-F304 WeakPolarHBondContact CG2-O 3.3Å; V183-I305 HydrophobicContact CG1-CG2 4.36Å; V183-Y449 WeakPolarHBondContact CA-OH 3.45Å
184T88.2Confident86.3Confident4 Ų413.1 Ų13.13%0.0257%0.07CC..Hα-helixtrans-70.9-37.6-179.855.10000111.5L180 D181 F188 V190 M192 I305L180-T184 HydrophobicContact CD1-CG2 3.88Å; L180-T184 HydrophobicContact CG-CG2 4.4Å; L180-T184 WeakPolarHBondContact O-CG2 3.1Å; L180-T184 PolarHBondContact O-N 3Å; L180-T184 PolarHBondContact O-OG1 3.4Å; D181-T184 PolarHBondContact O-OG1 2.82Å; T184-F188 WeakPolarHBondContact O-CB 3.3Å; T184-F188 WeakPolarHBondContact O-CD2 3.14Å; T184-F188 PolarHBondContact O-N 3.1Å; T184-V190 PolarHBondContact O-N 3.24Å; T184-M192 HydrophobicContact CG2-SD 3.57Å; T184-M192 VanDerWaalsContact CG2-SD 3.57Å; T184-M192 PolarHBondContact OG1-SD 3.11Å; T184-I305 HydrophobicContact CG2-CG1 4.36Å; T184-I305 HydrophobicContact CG2-CG2 4.36Å
185S87Confident85.9Confident0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-69.6-49.1174.3-175.80000111.9F152 D181 S187 S189 V190F152-S185 WeakPolarHBondContact CE2-OG 3.42Å; D181-S185 WeakPolarHBondContact O-CB 3.42Å; D181-S185 PolarHBondContact O-N 3.14Å; S185-S187 VanDerWaalsContact C-N 3.28Å; S185-S187 PolarHBondContact O-N 3.43Å; S185-S189 VanDerWaalsContact O-CA 3.24Å; S185-S189 WeakPolarHBondContact O-CA 3.35Å; S185-S189 PolarHBondContact O-N 3.07Å; S185-V190 VanDerWaalsContact CA-O 3.28Å; S185-V190 WeakPolarHBondContact CA-O 3.22Å; S185-V190 PolarHBondContact N-O 2.97Å
186A85.1Confident85.4Confident0 Ų014.9 Ų14.90%08%0.08CC..Hα-helixtrans-64.5-33179.400000113.3V145 V182 D266 F267 Y449V145-A186 HydrophobicContact CG1-CB 3.51Å; V182-A186 WeakPolarHBondContact O-CB 3.38Å; V182-A186 PolarHBondContact O-N 3.24Å; A186-D266 WeakPolarHBondContact O-CB 3.37Å; A186-F267 PolarHBondContact O-N 3.44Å; A186-Y449 HydrophobicContact CB-CE2 3.84Å; A186-Y449 WeakPolarHBondContact CB-OH 3.46Å
187S82.4Confident85Confident0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-88.9-32.9-175.7-54.40000113V183 S185 F267 L268V183-S187 WeakPolarHBondContact O-CB 3.37Å; V183-S187 PolarHBondContact O-N 3.15Å; V183-S187 PolarHBondContact O-OG 3.31Å; S185-S187 VanDerWaalsContact C-N 3.28Å; S185-S187 PolarHBondContact O-N 3.43Å; S187-F267 WeakPolarHBondContact OG-CD2 3.24Å; S187-L268 WeakPolarHBondContact O-CB 3.23Å; S187-L268 PolarHBondContact O-N 3.41Å
188F78.9Confident83.9Confident5 Ų521.8 Ų21.82%0.02212%0.12CC..Hα-helixtrans-134.77.2-169.2-46.1-64.7000114.3T184 V190 L268 M271 A301 I305T184-F188 WeakPolarHBondContact O-CB 3.3Å; T184-F188 WeakPolarHBondContact O-CD2 3.14Å; T184-F188 PolarHBondContact O-N 3.1Å; F188-V190 HydrophobicContact CB-CG2 3.6Å; F188-V190 WeakPolarHBondContact O-CG2 3.41Å; F188-V190 PolarHBondContact O-N 3.31Å; F188-V190 VanDerWaalsContact O-N 3.11Å; F188-L268 HydrophobicContact CB-CD2 4.5Å; F188-L268 HydrophobicContact CD1-CB 4.04Å; F188-L268 HydrophobicContact CD1-CD1 4.38Å; F188-L268 HydrophobicContact CD1-CD2 4.18Å; F188-L268 HydrophobicContact CD1-CG 4.42Å; F188-M271 HydrophobicContact CE1-CE 4.31Å; F188-A301 HydrophobicContact CD1-CB 4.28Å; F188-A301 HydrophobicContact CE1-CB 3.21Å; F188-A301 VanDerWaalsContact CZ-CA 3.48Å; F188-A301 HydrophobicContact CZ-CB 3.51Å; F188-A301 WeakPolarHBondContact CZ-O 3.31Å; F188-I305 HydrophobicContact CD2-CD1 4.37Å; F188-I305 HydrophobicContact CD2-CG1 4.39Å; F188-I305 HydrophobicContact CE2-CD1 3.61Å; F188-I305 HydrophobicContact CE2-CG1 3.37Å; F188-I305 HydrophobicContact CZ-CD1 4.2Å; F188-I305 HydrophobicContact CZ-CG1 3.97Å
189S74Confident82.7Confident25 Ų2529 Ų2918%0.17516%0.158CC..  trans54.925.8-171.7-73.30000114.2S185 D266S185-S189 VanDerWaalsContact O-CA 3.24Å; S185-S189 WeakPolarHBondContact O-CA 3.35Å; S185-S189 PolarHBondContact O-N 3.07Å; S189-D266 VanDerWaalsContact CB-OD2 3.23Å; S189-D266 WeakPolarHBondContact CB-OD2 3.28Å; S189-D266 PolarHBondContact OG-OD2 3.13Å
190V75Confident81.7Confident20 Ų2030.8 Ų30.812%0.12117%0.168CC..  trans-92.7112.9179.9-174.50000109.2T184 S185 F188 M192 F253T184-V190 PolarHBondContact O-N 3.24Å; S185-V190 VanDerWaalsContact CA-O 3.28Å; S185-V190 WeakPolarHBondContact CA-O 3.22Å; S185-V190 PolarHBondContact N-O 2.97Å; F188-V190 HydrophobicContact CB-CG2 3.6Å; F188-V190 WeakPolarHBondContact O-CG2 3.41Å; F188-V190 PolarHBondContact O-N 3.31Å; F188-V190 VanDerWaalsContact O-N 3.11Å; V190-M192 HydrophobicContact CG1-CG 3.75Å; V190-M192 PolarHBondContact O-N 3.46Å; V190-M192 VanDerWaalsContact O-N 3.14Å; V190-F253 HydrophobicContact CB-CE2 4.09Å; V190-F253 HydrophobicContact CB-CZ 4.09Å; V190-F253 HydrophobicContact CG1-CE1 4.2Å; V190-F253 HydrophobicContact CG1-CE2 3.83Å; V190-F253 HydrophobicContact CG1-CZ 3.49Å; V190-F253 VanDerWaalsContact CG1-CZ 3.49Å; V190-F253 HydrophobicContact CG2-CD1 3.83Å; V190-F253 HydrophobicContact CG2-CD2 3.31Å; V190-F253 HydrophobicContact CG2-CE1 3.69Å; V190-F253 HydrophobicContact CG2-CE2 3.09Å; V190-F253 HydrophobicContact CG2-CG 3.69Å; V190-F253 HydrophobicContact CG2-CZ 3.33Å
191E72.7Confident81Confident100 Ų10034.6 Ų34.647%0.46719%0.193SC..  trans-80.394.2170.4-69-173.1-155.700109.5R264E191-R264 IonicContact OE1-NH1 3.03Å; E191-R264 IonicContact OE1-NH2 3.96Å
192M76.4Confident80.4Confident20 Ų2035.6 Ų35.610%0.09920%0.199CC..  trans-84.8159.6167.3-64.4-177.654.900110.1R155 L180 D181 T184 V190 V202R155-M192 PolarHBondContact NH1-O 2.85Å; L180-M192 HydrophobicContact CD2-CE 4.04Å; L180-M192 HydrophobicContact CG-CE 4.26Å; D181-M192 VanDerWaalsContact OD1-CB 3.26Å; D181-M192 WeakPolarHBondContact OD1-CB 3.3Å; T184-M192 HydrophobicContact CG2-SD 3.57Å; T184-M192 VanDerWaalsContact CG2-SD 3.57Å; T184-M192 PolarHBondContact OG1-SD 3.11Å; V190-M192 HydrophobicContact CG1-CG 3.75Å; V190-M192 PolarHBondContact O-N 3.46Å; V190-M192 VanDerWaalsContact O-N 3.14Å; M192-V202 HydrophobicContact CE-CB 3.33Å; M192-V202 HydrophobicContact CE-CG1 3.38Å; M192-V202 HydrophobicContact CE-CG2 3.79Å; M192-V202 HydrophobicContact SD-CB 4.44Å; M192-V202 HydrophobicContact SD-CG1 4.04Å
193D83.9Confident79.6Confident51 Ų5136.2 Ų36.227%0.27320%0.201SC..  trans-127.347176-164.132.9000111.3R155 I195 N196 N197R155-D193 WeakPolarHBondContact CD-OD1 3.36Å; R155-D193 IonicContact CZ-OD1 2.76Å; R155-D193 IonicContact NE-OD1 3.82Å; R155-D193 IonicContact NH1-OD1 2.82Å; R155-D193 PolarHBondContact NH1-OD1 3.37Å; D193-I195 PolarHBondContact O-N 3.46Å; D193-N196 PolarHBondContact O-N 3.12Å; D193-N196 PolarHBondContact OD1-ND2 2.93Å; D193-N196 WeakPolarHBondContact OD2-CB 3.47Å; D193-N196 PolarHBondContact OD2-ND2 3.31Å; D193-N197 WeakPolarHBondContact O-CB 3.28Å; D193-N197 PolarHBondContact O-N 2.78Å; D193-N197 PolarHBondContact O-ND2 2.52Å; D193-N197 PolarHBondContact OD2-ND2 2.69Å
194S84.6Confident79Confident0 Ų037.9 Ų37.90%022%0.216CC..THydrogen-bonded Turntrans-66.3-29.9-179.2-43.10000111.5D181 N196 N197D181-S194 WeakPolarHBondContact OD1-CB 3.46Å; D181-S194 PolarHBondContact OD1-N 3.35Å; D181-S194 PolarHBondContact OD1-OG 3.17Å; D181-S194 PolarHBondContact OD2-N 3.23Å; S194-N196 VanDerWaalsContact C-N 3.3Å; S194-N196 PolarHBondContact O-N 3.3Å; S194-N197 CarbonylContact O-C 3.19Å; S194-N197 PolarHBondContact O-N 2.87Å
195I84.8Confident78.7Confident12 Ų1239.6 Ų39.66%0.06222%0.223CC..THydrogen-bonded Turntrans-57-43.5176.4-69.2164.1000111.4F152 R155 F156 K159 P177 F178 D181 D193F152-I195 HydrophobicContact CD1-CD1 4.35Å; R155-I195 HydrophobicContact CB-CD1 4.33Å; R155-I195 HydrophobicContact CG-CD1 4.32Å; R155-I195 HydrophobicContact CG-CG2 4.37Å; F156-I195 HydrophobicContact CB-CD1 4.33Å; K159-I195 HydrophobicContact CB-CG2 3.71Å; K159-I195 HydrophobicContact CG-CG2 3.96Å; P177-I195 HydrophobicContact CB-CG1 4.24Å; F178-I195 HydrophobicContact CB-CD1 4.22Å; F178-I195 HydrophobicContact CB-CG1 4.3Å; F178-I195 HydrophobicContact CD2-CD1 4.41Å; D181-I195 HydrophobicContact CB-CD1 4.46Å; D181-I195 WeakPolarHBondContact OD2-CG1 3.13Å; D181-I195 PolarHBondContact OD2-N 3.08Å; D181-I195 VanDerWaalsContact OD2-N 3.12Å; D193-I195 PolarHBondContact O-N 3.46Å
196N85.6Confident78.3Confident54 Ų5439.6 Ų39.629%0.28922%0.223SC..THydrogen-bonded Turntrans-90.3-29-179.8-65.1-48.7000112.6D193 S194 P198D193-N196 PolarHBondContact O-N 3.12Å; D193-N196 PolarHBondContact OD1-ND2 2.93Å; D193-N196 WeakPolarHBondContact OD2-CB 3.47Å; D193-N196 PolarHBondContact OD2-ND2 3.31Å; S194-N196 VanDerWaalsContact C-N 3.3Å; S194-N196 PolarHBondContact O-N 3.3Å; N196-P198 WeakPolarHBondContact O-CD 3.42Å
197N83.1Confident78Confident84 Ų8444.6 Ų44.645%0.44925%0.247SC..  trans-116.680.6-175.1-59.3-57.5000111.7D193 S194 N199 D200D193-N197 WeakPolarHBondContact O-CB 3.28Å; D193-N197 PolarHBondContact O-N 2.78Å; D193-N197 PolarHBondContact O-ND2 2.52Å; D193-N197 PolarHBondContact OD2-ND2 2.69Å; S194-N197 CarbonylContact O-C 3.19Å; S194-N197 PolarHBondContact O-N 2.87Å; N197-N199 PolarHBondContact O-N 3.05Å; N197-N199 VanDerWaalsContact O-N 3.1Å; N197-D200 VanDerWaalsContact O-CB 3.29Å; N197-D200 WeakPolarHBondContact O-CB 3.37Å; N197-D200 PolarHBondContact O-N 3.1Å
198P68.4Low77.9Confident74 Ų7450.1 Ų50.148%0.48127%0.271SS..THydrogen-bonded Turntrans-64.9-17.4-17924.5-33.7000114N196 D200 H203N196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-D200 VanDerWaalsContact C-N 3.3Å; P198-H203 PolarHBondContact O-ND1 3.3Å
199N68.7Low77.7Confident151 Ų15149.9 Ų49.981%0.80727%0.27SS*.THydrogen-bonded Turntrans-89.911.4175.1-66.2-28.7000113.2N197N197-N199 PolarHBondContact O-N 3.05Å; N197-N199 VanDerWaalsContact O-N 3.1Å
200D73.3Confident77.8Confident40 Ų4050.5 Ų50.521%0.21427%0.27CS..  trans-54.3132.8177.2-176.2-87.9000110.8N197 P198 V202 H203 A204N197-D200 VanDerWaalsContact O-CB 3.29Å; N197-D200 WeakPolarHBondContact O-CB 3.37Å; N197-D200 PolarHBondContact O-N 3.1Å; P198-D200 VanDerWaalsContact C-N 3.3Å; D200-V202 PolarHBondContact O-N 2.89Å; D200-V202 VanDerWaalsContact O-N 3.15Å; D200-V202 WeakPolarHBondContact OD1-CA 3.5Å; D200-V202 WeakPolarHBondContact OD1-CB 3.32Å; D200-V202 WeakPolarHBondContact OD1-CG2 3.26Å; D200-V202 PolarHBondContact OD1-N 3.15Å; D200-H203 HydrophobicContact CB-CB 4.38Å; D200-H203 PolarHBondContact O-N 3.24Å; D200-H203 VanDerWaalsContact O-N 3.1Å; D200-A204 PolarHBondContact O-N 3.28Å
201P76Confident77.7Confident81 Ų8155.4 Ų55.453%0.52630%0.296SS..Hα-helixtrans-53.8-34.8-179.3-2835.2000113.6A204 Q205 F245P201-A204 PolarHBondContact O-N 3.49Å; P201-Q205 WeakPolarHBondContact O-CB 3.43Å; P201-Q205 WeakPolarHBondContact O-CG 3.19Å; P201-Q205 PolarHBondContact O-N 3.44Å; P201-F245 HydrophobicContact CB-CZ 4.47Å
202V76.8Confident77.6Confident21 Ų2153.5 Ų53.513%0.12729%0.286CS..Hα-helixtrans-70.4-42.8179.8-174.10000110.8M192 D200 A204 Q205 M206 F245 F246 I249M192-V202 HydrophobicContact CE-CB 3.33Å; M192-V202 HydrophobicContact CE-CG1 3.38Å; M192-V202 HydrophobicContact CE-CG2 3.79Å; M192-V202 HydrophobicContact SD-CB 4.44Å; M192-V202 HydrophobicContact SD-CG1 4.04Å; D200-V202 PolarHBondContact O-N 2.89Å; D200-V202 VanDerWaalsContact O-N 3.15Å; D200-V202 WeakPolarHBondContact OD1-CA 3.5Å; D200-V202 WeakPolarHBondContact OD1-CB 3.32Å; D200-V202 WeakPolarHBondContact OD1-CG2 3.26Å; D200-V202 PolarHBondContact OD1-N 3.15Å; V202-A204 VanDerWaalsContact C-N 3.35Å; V202-A204 PolarHBondContact O-N 3.13Å; V202-Q205 PolarHBondContact O-N 3.33Å; V202-M206 VanDerWaalsContact O-CB 3.32Å; V202-M206 WeakPolarHBondContact O-CB 3.39Å; V202-M206 PolarHBondContact O-N 2.95Å; V202-F245 HydrophobicContact CB-CE1 4.38Å; V202-F245 HydrophobicContact CG1-CE1 4.46Å; V202-F245 HydrophobicContact CG2-CE1 4.08Å; V202-F245 HydrophobicContact CG2-CZ 3.98Å; V202-F246 HydrophobicContact CG1-CE1 3.49Å; V202-F246 VanDerWaalsContact CG1-CE1 3.49Å; V202-F246 HydrophobicContact CG1-CZ 3.82Å; V202-I249 HydrophobicContact CG2-CD1 4.3Å
203H75.8Confident77.4Confident15 Ų1558.9 Ų58.97%0.06931%0.305CS..Hα-helixtrans-62.3-43.3174.2177.5-129.2000111.2L180 P198 D200 Q205 M206 Q207 Y309L180-H203 HydrophobicContact CD2-CB 4.09Å; P198-H203 PolarHBondContact O-ND1 3.3Å; D200-H203 HydrophobicContact CB-CB 4.38Å; D200-H203 PolarHBondContact O-N 3.24Å; D200-H203 VanDerWaalsContact O-N 3.1Å; H203-Q205 PolarHBondContact O-N 3.09Å; H203-M206 PolarHBondContact O-N 3.22Å; H203-Q207 PolarHBondContact CE1-NE2 3.42Å; H203-Q207 PolarHBondContact NE2-NE2 3.09Å; H203-Q207 WeakPolarHBondContact O-CG 3.4Å; H203-Q207 PolarHBondContact O-N 3.26Å; H203-Y309 PolarHBondContact NE2-OH 3.38Å
204A78.9Confident76.7Confident39 Ų3960.3 Ų60.332%0.32231%0.309SS..Hα-helixtrans-63.8-40.3176.300000112.8D200 P201 V202 K208D200-A204 PolarHBondContact O-N 3.28Å; P201-A204 PolarHBondContact O-N 3.49Å; V202-A204 VanDerWaalsContact C-N 3.35Å; V202-A204 PolarHBondContact O-N 3.13Å; A204-K208 WeakPolarHBondContact O-CG 3.22Å; A204-K208 PolarHBondContact O-N 2.77Å
205Q81.6Confident76.4Confident40 Ų4066.7 Ų66.719%0.18733%0.333CS..Hα-helixtrans-69.4-36.6175.2-70.2-64.6-11.400112P201 V202 H203 K208 L209 S242 F245 F246P201-Q205 WeakPolarHBondContact O-CB 3.43Å; P201-Q205 WeakPolarHBondContact O-CG 3.19Å; P201-Q205 PolarHBondContact O-N 3.44Å; V202-Q205 PolarHBondContact O-N 3.33Å; H203-Q205 PolarHBondContact O-N 3.09Å; Q205-K208 PolarHBondContact O-N 2.7Å; Q205-L209 WeakPolarHBondContact O-CB 3.24Å; Q205-L209 PolarHBondContact O-N 3.41Å; Q205-S242 PolarHBondContact OE1-OG 2.64Å; Q205-F245 HydrophobicContact CB-CD1 3.83Å; Q205-F245 HydrophobicContact CB-CE1 3.89Å; Q205-F245 HydrophobicContact CG-CD1 3.78Å; Q205-F245 HydrophobicContact CG-CD2 4.41Å; Q205-F245 HydrophobicContact CG-CE1 3.82Å; Q205-F245 HydrophobicContact CG-CE2 4.45Å; Q205-F245 HydrophobicContact CG-CG 4.07Å; Q205-F245 HydrophobicContact CG-CZ 4.15Å; Q205-F246 HydrophobicContact CB-CE2 4.01Å; Q205-F246 HydrophobicContact CB-CZ 4.3Å
206M78.6Confident76.1Confident0 Ų066.1 Ų66.10%033%0.331CS..Hα-helixtrans-61.6-47.3173.3-176.75558.200110.7V202 H203 K208 L209 M210 F246 I305 Y309V202-M206 VanDerWaalsContact O-CB 3.32Å; V202-M206 WeakPolarHBondContact O-CB 3.39Å; V202-M206 PolarHBondContact O-N 2.95Å; H203-M206 PolarHBondContact O-N 3.22Å; M206-K208 VanDerWaalsContact C-N 3.27Å; M206-K208 PolarHBondContact O-N 3.43Å; M206-L209 HydrophobicContact CE-CD2 4.32Å; M206-L209 WeakPolarHBondContact O-CA 3.35Å; M206-L209 WeakPolarHBondContact O-CB 3.11Å; M206-L209 PolarHBondContact O-N 2.95Å; M206-L209 HydrophobicContact SD-CD2 4.23Å; M206-M210 VanDerWaalsContact O-CG 3.3Å; M206-M210 WeakPolarHBondContact O-CG 3.42Å; M206-M210 PolarHBondContact O-N 3.48Å; M206-M210 HydrophobicContact SD-CG 4.41Å; M206-M210 HydrophobicContact SD-SD 4.3Å; M206-F246 HydrophobicContact CB-CZ 4.07Å; M206-F246 HydrophobicContact CE-CE1 3.84Å; M206-F246 HydrophobicContact CE-CE2 3.9Å; M206-F246 HydrophobicContact CE-CZ 3.45Å; M206-F246 VanDerWaalsContact CE-CZ 3.45Å; M206-I305 HydrophobicContact CE-CB 4.2Å; M206-I305 HydrophobicContact CE-CG2 3.26Å; M206-Y309 HydrophobicContact CG-CD1 3.45Å; M206-Y309 VanDerWaalsContact CG-CD1 3.45Å; M206-Y309 HydrophobicContact CG-CE1 3.48Å; M206-Y309 VanDerWaalsContact CG-CE1 3.48Å; M206-Y309 HydrophobicContact CG-CG 4.18Å; M206-Y309 HydrophobicContact SD-CD1 4.01Å
207Q78.3Confident75.5Confident105 Ų10567.3 Ų67.349%0.49133%0.333SS..Hα-helixtrans-58.4-38.1175.7-72-172.33.100113H203 M210 N211H203-Q207 PolarHBondContact CE1-NE2 3.42Å; H203-Q207 PolarHBondContact NE2-NE2 3.09Å; H203-Q207 WeakPolarHBondContact O-CG 3.4Å; H203-Q207 PolarHBondContact O-N 3.26Å; Q207-M210 PolarHBondContact O-N 3.32Å; Q207-N211 PolarHBondContact O-N 3Å
208K80.2Confident75.1Confident115 Ų11568.1 Ų68.150%0.534%0.337SS..Hα-helixtrans-66.3-41.2173.6-71.5174.2-175.3174.50112.1A204 Q205 M206 M210 N211A204-K208 WeakPolarHBondContact O-CG 3.22Å; A204-K208 PolarHBondContact O-N 2.77Å; Q205-K208 PolarHBondContact O-N 2.7Å; M206-K208 VanDerWaalsContact C-N 3.27Å; M206-K208 PolarHBondContact O-N 3.43Å; K208-M210 VanDerWaalsContact C-N 3.26Å; K208-M210 PolarHBondContact O-N 2.91Å; K208-N211 PolarHBondContact O-N 3.4Å; K208-N211 VanDerWaalsContact O-N 3.17Å
209L76.3Confident75.7Confident1 Ų167 Ų671%0.00532%0.324CS..Hα-helixtrans-62.2-35.4176.8-167.972.8000111.7Q205 M206 N211 M238 V243 F246 L302Q205-L209 WeakPolarHBondContact O-CB 3.24Å; Q205-L209 PolarHBondContact O-N 3.41Å; M206-L209 HydrophobicContact CE-CD2 4.32Å; M206-L209 WeakPolarHBondContact O-CA 3.35Å; M206-L209 WeakPolarHBondContact O-CB 3.11Å; M206-L209 PolarHBondContact O-N 2.95Å; M206-L209 HydrophobicContact SD-CD2 4.23Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-N211 PolarHBondContact O-N 3.09Å; L209-M238 HydrophobicContact CD1-CB 4.23Å; L209-M238 HydrophobicContact CD1-CE 4.21Å; L209-M238 HydrophobicContact CD1-CG 4.24Å; L209-M238 HydrophobicContact CD1-SD 3.89Å; L209-M238 HydrophobicContact CG-CE 4.12Å; L209-M238 HydrophobicContact CG-SD 4.46Å; L209-V243 HydrophobicContact CD1-CG2 3.72Å; L209-F246 HydrophobicContact CD2-CD2 4.26Å; L209-F246 HydrophobicContact CD2-CE2 4.29Å; L209-L302 HydrophobicContact CD2-CD1 3.89Å
210M74.8Confident76.1Confident38 Ų3861.1 Ų61.119%0.18729%0.294CS..Hα-helixtrans-71.4-21.7176.3-65-51.5-55.300113.8M206 Q207 K208 F212 F306 Y309 E310M206-M210 VanDerWaalsContact O-CG 3.3Å; M206-M210 WeakPolarHBondContact O-CG 3.42Å; M206-M210 PolarHBondContact O-N 3.48Å; M206-M210 HydrophobicContact SD-CG 4.41Å; M206-M210 HydrophobicContact SD-SD 4.3Å; Q207-M210 PolarHBondContact O-N 3.32Å; K208-M210 VanDerWaalsContact C-N 3.26Å; K208-M210 PolarHBondContact O-N 2.91Å; M210-F212 PolarHBondContact O-N 3.23Å; M210-F212 VanDerWaalsContact O-N 3.1Å; M210-F306 HydrophobicContact CE-CD2 4.1Å; M210-F306 HydrophobicContact CE-CE2 3.31Å; M210-F306 HydrophobicContact CE-CZ 3.67Å; M210-F306 HydrophobicContact SD-CD2 3.37Å; M210-F306 WeakPolarHBondContact SD-CD2 3.24Å; M210-F306 HydrophobicContact SD-CE2 3.15Å; M210-F306 WeakPolarHBondContact SD-CE2 3.39Å; M210-F306 HydrophobicContact SD-CG 4.47Å; M210-F306 HydrophobicContact SD-CZ 4.09Å; M210-Y309 HydrophobicContact CG-CE1 4.38Å; M210-E310 HydrophobicContact CE-CB 3.7Å; M210-E310 HydrophobicContact CE-CG 3.41Å; M210-E310 VanDerWaalsContact CE-CG 3.41Å; M210-E310 HydrophobicContact SD-CB 4.22Å
211N72.9Confident76Confident122 Ų12260.7 Ų60.765%0.65230%0.296SS*.SBendtrans-87.275.1-178.9-168.414.4000111.8Q207 K208 L209 R213Q207-N211 PolarHBondContact O-N 3Å; K208-N211 PolarHBondContact O-N 3.4Å; K208-N211 VanDerWaalsContact O-N 3.17Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-N211 PolarHBondContact O-N 3.09Å; N211-R213 PolarHBondContact O-N 3.21Å
212F70.7Confident75.9Confident61 Ų6160.1 Ų60.127%0.26829%0.287SS..  trans-58.3135.5179.7-66.9-70.7000113M210 F214 M238 F306M210-F212 PolarHBondContact O-N 3.23Å; M210-F212 VanDerWaalsContact O-N 3.1Å; F212-F214 HydrophobicContact CB-CE2 4.16Å; F212-F214 HydrophobicContact CB-CZ 4.45Å; F212-F214 WeakPolarHBondContact O-CD2 3.39Å; F212-F214 PolarHBondContact O-N 2.68Å; F212-M238 HydrophobicContact CD1-CG 4.04Å; F212-M238 HydrophobicContact CE1-CE 3.36Å; F212-M238 HydrophobicContact CE1-CG 3.61Å; F212-M238 HydrophobicContact CE1-SD 4.24Å; F212-M238 HydrophobicContact CZ-CE 3.59Å; F212-F306 HydrophobicContact CE2-CE2 4.3Å; F212-F306 HydrophobicContact CE2-CZ 4.42Å; F212-F306 HydrophobicContact CZ-CE2 4.09Å; F212-F306 HydrophobicContact CZ-CZ 4.4Å
213R71.9Confident75.8Confident132 Ų13262.8 Ų62.850%0.49830%0.297SS..  trans-75.7112.1171.2-68176.6170.9172.3-3.1109.2N211 P216 F237N211-R213 PolarHBondContact O-N 3.21Å; R213-P216 HydrophobicContact CB-CG 4.3Å; R213-P216 WeakPolarHBondContact O-CD 3.25Å; R213-F237 PolarHBondContact N-O 2.88Å
214F70.6Confident75.7Confident81 Ų8165.5 Ų65.536%0.35532%0.316SS..  trans-85-25-178.3-76.7-85.7000114.5F212 P216 F217 I218 W481 K482F212-F214 HydrophobicContact CB-CE2 4.16Å; F212-F214 HydrophobicContact CB-CZ 4.45Å; F212-F214 WeakPolarHBondContact O-CD2 3.39Å; F212-F214 PolarHBondContact O-N 2.68Å; F214-P216 VanDerWaalsContact C-N 3.33Å; F214-F217 HydrophobicContact CD1-CD2 4.39Å; F214-F217 WeakPolarHBondContact O-CB 3.4Å; F214-F217 PolarHBondContact O-N 3.37Å; F214-I218 PolarHBondContact O-N 3.06Å; F214-W481 HydrophobicContact CD1-CH2 4.4Å; F214-W481 HydrophobicContact CE1-CH2 4.44Å; F214-K482 HydrophobicContact CE1-CD 4.46Å; F214-K482 HydrophobicContact CE2-CD 4.3Å; F214-K482 HydrophobicContact CZ-CD 3.91Å
215W77.6Confident75.7Confident134 Ų13469 Ų6951%0.50833%0.325SS..Hα-helixtrans-57.1-33.7-178.683.7-94.8000114.8F217 I218 F219 L230 V235W215-F217 VanDerWaalsContact C-N 3.3Å; W215-F217 PolarHBondContact O-N 3.02Å; W215-I218 PolarHBondContact O-N 3.43Å; W215-F219 HydrophobicContact CE3-CB 4.1Å; W215-F219 HydrophobicContact CZ3-CB 4.07Å; W215-F219 HydrophobicContact CZ3-CD2 4.16Å; W215-F219 HydrophobicContact CZ3-CG 4.08Å; W215-F219 WeakPolarHBondContact O-CB 3.47Å; W215-F219 PolarHBondContact O-N 3.1Å; W215-L230 HydrophobicContact CH2-CD2 3.93Å; W215-L230 HydrophobicContact CZ3-CD2 4.3Å; W215-V235 HydrophobicContact CH2-CG1 4.31Å; W215-V235 HydrophobicContact CZ2-CG1 3.75Å
216P77.4Confident75.5Confident1 Ų167.1 Ų67.11%0.00632%0.316CS..Hα-helixtrans-67-30.8176.9-16.432.1000112.2R213 F214 F219 V220 L230 V235 F237R213-P216 HydrophobicContact CB-CG 4.3Å; R213-P216 WeakPolarHBondContact O-CD 3.25Å; F214-P216 VanDerWaalsContact C-N 3.33Å; P216-F219 PolarHBondContact O-N 3.38Å; P216-V220 WeakPolarHBondContact O-CG2 3.42Å; P216-V220 PolarHBondContact O-N 3.19Å; P216-L230 HydrophobicContact CB-CD1 3.66Å; P216-L230 HydrophobicContact CB-CD2 4.19Å; P216-V235 HydrophobicContact CG-CG1 4.16Å; P216-F237 HydrophobicContact CB-CD1 4.15Å; P216-F237 HydrophobicContact CB-CE1 3.76Å; P216-F237 HydrophobicContact CB-CZ 4.48Å; P216-F237 HydrophobicContact CG-CD1 4.37Å; P216-F237 HydrophobicContact CG-CE1 4.45Å
217F73.9Confident75.4Confident78 Ų7875.3 Ų75.334%0.34235%0.347SS..Hα-helixtrans-63.7-44.2172.6-72-77.1000111.2I107 F214 W215 F219 V220 A221 F237I107-F217 HydrophobicContact CG2-CE1 4.11Å; I107-F217 HydrophobicContact CG2-CZ 3.86Å; F214-F217 HydrophobicContact CD1-CD2 4.39Å; F214-F217 WeakPolarHBondContact O-CB 3.4Å; F214-F217 PolarHBondContact O-N 3.37Å; W215-F217 VanDerWaalsContact C-N 3.3Å; W215-F217 PolarHBondContact O-N 3.02Å; F217-F219 VanDerWaalsContact C-N 3.34Å; F217-V220 PolarHBondContact O-N 3.34Å; F217-A221 WeakPolarHBondContact O-CB 3.23Å; F217-A221 PolarHBondContact O-N 3.04Å; F217-F237 AromaticContact CD1-CE1 3.78Å; F217-F237 HydrophobicContact CD1-CE1 3.78Å; F217-F237 HydrophobicContact CD1-CZ 4.13Å; F217-F237 AromaticContact CD2-CD1 3.74Å; F217-F237 HydrophobicContact CD2-CD1 3.74Å; F217-F237 AromaticContact CD2-CE1 3.49Å; F217-F237 HydrophobicContact CD2-CE1 3.49Å; F217-F237 VanDerWaalsContact CD2-CE1 3.49Å; F217-F237 HydrophobicContact CE1-CD1 4.28Å; F217-F237 AromaticContact CE1-CE1 3.67Å; F217-F237 HydrophobicContact CE1-CE1 3.67Å; F217-F237 AromaticContact CE1-CZ 3.89Å; F217-F237 HydrophobicContact CE1-CZ 3.89Å; F217-F237 AromaticContact CE2-CD1 3.3Å; F217-F237 HydrophobicContact CE2-CD1 3.3Å; F217-F237 AromaticContact CE2-CE1 3.39Å; F217-F237 HydrophobicContact CE2-CE1 3.39Å; F217-F237 HydrophobicContact CE2-CG 4.2Å; F217-F237 HydrophobicContact CE2-CZ 4.35Å; F217-F237 HydrophobicContact CG-CD1 4.4Å; F217-F237 AromaticContact CG-CE1 3.69Å; F217-F237 HydrophobicContact CG-CE1 3.69Å; F217-F237 HydrophobicContact CG-CZ 4.46Å; F217-F237 AromaticContact CZ-CD1 3.6Å; F217-F237 HydrophobicContact CZ-CD1 3.6Å; F217-F237 AromaticContact CZ-CE1 3.48Å; F217-F237 HydrophobicContact CZ-CE1 3.48Å; F217-F237 VanDerWaalsContact CZ-CE1 3.48Å; F217-F237 HydrophobicContact CZ-CG 4.21Å; F217-F237 HydrophobicContact CZ-CZ 4.01Å
218I75.4Confident75.4Confident102 Ų10276.7 Ų76.752%0.52335%0.353SS..Hα-helixtrans-63.5-43.3176.6-60173.2000109.9F214 W215 V220 A221 I222F214-I218 PolarHBondContact O-N 3.06Å; W215-I218 PolarHBondContact O-N 3.43Å; I218-V220 PolarHBondContact O-N 3.42Å; I218-A221 WeakPolarHBondContact O-CB 3.41Å; I218-A221 PolarHBondContact O-N 3.26Å; I218-A221 VanDerWaalsContact O-N 3.17Å; I218-I222 HydrophobicContact CG2-CD1 3.77Å; I218-I222 HydrophobicContact CG2-CG1 4.5Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.29Å
219F79.4Confident75.5Confident50 Ų5073.4 Ų73.422%0.21934%0.341CS..Hα-helixtrans-60.1-45.6178.1-171.9-100.6000112.2W215 P216 F217 A221 I222 F223 L229 L230W215-F219 HydrophobicContact CE3-CB 4.1Å; W215-F219 HydrophobicContact CZ3-CB 4.07Å; W215-F219 HydrophobicContact CZ3-CD2 4.16Å; W215-F219 HydrophobicContact CZ3-CG 4.08Å; W215-F219 WeakPolarHBondContact O-CB 3.47Å; W215-F219 PolarHBondContact O-N 3.1Å; P216-F219 PolarHBondContact O-N 3.38Å; F217-F219 VanDerWaalsContact C-N 3.34Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 3.01Å; F219-I222 PolarHBondContact O-N 3.43Å; F219-F223 HydrophobicContact CD1-CD2 4.47Å; F219-F223 AromaticContact CD2-CD2 3.44Å; F219-F223 HydrophobicContact CD2-CD2 3.44Å; F219-F223 VanDerWaalsContact CD2-CD2 3.44Å; F219-F223 AromaticContact CD2-CE2 3.63Å; F219-F223 HydrophobicContact CD2-CE2 3.63Å; F219-F223 HydrophobicContact CE1-CD2 4.46Å; F219-F223 AromaticContact CE2-CD2 3.4Å; F219-F223 HydrophobicContact CE2-CD2 3.4Å; F219-F223 VanDerWaalsContact CE2-CD2 3.4Å; F219-F223 AromaticContact CE2-CE2 3.57Å; F219-F223 HydrophobicContact CE2-CE2 3.57Å; F219-F223 HydrophobicContact CE2-CG 4.25Å; F219-F223 AromaticContact CG-CD2 4Å; F219-F223 HydrophobicContact CG-CD2 4Å; F219-F223 AromaticContact CZ-CD2 3.95Å; F219-F223 HydrophobicContact CZ-CD2 3.95Å; F219-F223 HydrophobicContact CZ-CE2 4.47Å; F219-F223 HydrophobicContact CZ-CG 4.42Å; F219-F223 WeakPolarHBondContact O-CD2 3.37Å; F219-F223 PolarHBondContact O-N 2.95Å; F219-L229 HydrophobicContact CE1-CB 4.16Å; F219-L229 HydrophobicContact CE1-CD1 4.23Å; F219-L229 HydrophobicContact CZ-CD1 3.96Å; F219-L230 HydrophobicContact CD1-CD1 4.2Å; F219-L230 HydrophobicContact CD1-CD2 3.95Å; F219-L230 HydrophobicContact CD1-CG 3.89Å; F219-L230 HydrophobicContact CE1-CD2 4.35Å; F219-L230 HydrophobicContact CE1-CG 4.28Å
220V76.9Confident75.8Confident28 Ų2874 Ų7417%0.1734%0.344CS..Hα-helixtrans-67.3-32.1175.4168.90000112.5P216 F217 I218 R227 L230P216-V220 WeakPolarHBondContact O-CG2 3.42Å; P216-V220 PolarHBondContact O-N 3.19Å; F217-V220 PolarHBondContact O-N 3.34Å; I218-V220 PolarHBondContact O-N 3.42Å; V220-R227 HydrophobicContact CB-CG 4.31Å; V220-R227 HydrophobicContact CG1-CG 3.54Å; V220-R227 HydrophobicContact CG2-CG 3.74Å; V220-L230 HydrophobicContact CG2-CD1 3.45Å; V220-L230 VanDerWaalsContact CG2-CD1 3.45Å
221A72.1Confident75.9Confident31 Ų3178.8 Ų78.826%0.25636%0.364SS..Hα-helixtrans-67.2-39.2176.200000111.6K77 F217 I218 F219K77-A221 VanDerWaalsContact CE-O 3.3Å; K77-A221 WeakPolarHBondContact CE-O 3.46Å; K77-A221 PolarHBondContact NZ-O 3.17Å; F217-A221 WeakPolarHBondContact O-CB 3.23Å; F217-A221 PolarHBondContact O-N 3.04Å; I218-A221 WeakPolarHBondContact O-CB 3.41Å; I218-A221 PolarHBondContact O-N 3.26Å; I218-A221 VanDerWaalsContact O-N 3.17Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 3.01Å
222I72.9Confident76.3Confident68 Ų6878.4 Ų78.435%0.34936%0.361SS..Hα-helixtrans-82.5-49.2-177.5-63.4170.2000111.5I218 F219I218-I222 HydrophobicContact CG2-CD1 3.77Å; I218-I222 HydrophobicContact CG2-CG1 4.5Å; I218-I222 WeakPolarHBondContact O-CG1 3.43Å; I218-I222 PolarHBondContact O-N 3.29Å; F219-I222 PolarHBondContact O-N 3.43Å
223F75.8Confident76.8Confident77 Ų7782.6 Ų82.634%0.33838%0.379SS..  trans-98121.8-170.2-62.7-76.7000112.2F219 F225 G226F219-F223 HydrophobicContact CD1-CD2 4.47Å; F219-F223 AromaticContact CD2-CD2 3.44Å; F219-F223 HydrophobicContact CD2-CD2 3.44Å; F219-F223 VanDerWaalsContact CD2-CD2 3.44Å; F219-F223 AromaticContact CD2-CE2 3.63Å; F219-F223 HydrophobicContact CD2-CE2 3.63Å; F219-F223 HydrophobicContact CE1-CD2 4.46Å; F219-F223 AromaticContact CE2-CD2 3.4Å; F219-F223 HydrophobicContact CE2-CD2 3.4Å; F219-F223 VanDerWaalsContact CE2-CD2 3.4Å; F219-F223 AromaticContact CE2-CE2 3.57Å; F219-F223 HydrophobicContact CE2-CE2 3.57Å; F219-F223 HydrophobicContact CE2-CG 4.25Å; F219-F223 AromaticContact CG-CD2 4Å; F219-F223 HydrophobicContact CG-CD2 4Å; F219-F223 AromaticContact CZ-CD2 3.95Å; F219-F223 HydrophobicContact CZ-CD2 3.95Å; F219-F223 HydrophobicContact CZ-CE2 4.47Å; F219-F223 HydrophobicContact CZ-CG 4.42Å; F219-F223 WeakPolarHBondContact O-CD2 3.37Å; F219-F223 PolarHBondContact O-N 2.95Å; F223-F225 VanDerWaalsContact C-N 3.26Å; F223-F225 HydrophobicContact CB-CD2 4.41Å; F223-F225 HydrophobicContact CB-CE2 4.13Å; F223-F225 HydrophobicContact CB-CZ 4.39Å; F223-F225 HydrophobicContact CD1-CE2 4.24Å; F223-F225 AromaticContact CD1-CZ 3.97Å; F223-F225 HydrophobicContact CD1-CZ 3.97Å; F223-F225 HydrophobicContact CG-CE2 4.44Å; F223-F225 PolarHBondContact O-N 2.98Å; F223-G226 WeakPolarHBondContact O-CA 3.24Å; F223-G226 PolarHBondContact O-N 3.22Å
224P72.6Confident77Confident72 Ų7284.7 Ų84.747%0.46839%0.392SS..THydrogen-bonded Turntrans-58.6-35179.814-23.6000114.5Y24 G226Y24-P224 HydrophobicContact CD2-CB 4.49Å; Y24-P224 HydrophobicContact CE1-CB 4.03Å; Y24-P224 HydrophobicContact CE1-CG 4.14Å; Y24-P224 HydrophobicContact CE2-CB 3.77Å; Y24-P224 HydrophobicContact CE2-CG 4.42Å; Y24-P224 VanDerWaalsContact CZ-CB 3.49Å; Y24-P224 WeakPolarHBondContact OH-CA 3.33Å; Y24-P224 WeakPolarHBondContact OH-CB 3.4Å; P224-G226 VanDerWaalsContact C-N 3.32Å
225F78.9Confident77.2Confident113 Ų11382.8 Ų82.850%0.49639%0.387SS..THydrogen-bonded Turntrans-91.26.5175.649.2-99.7000112.8F223 R227 H228 L229F223-F225 VanDerWaalsContact C-N 3.26Å; F223-F225 HydrophobicContact CB-CD2 4.41Å; F223-F225 HydrophobicContact CB-CE2 4.13Å; F223-F225 HydrophobicContact CB-CZ 4.39Å; F223-F225 HydrophobicContact CD1-CE2 4.24Å; F223-F225 AromaticContact CD1-CZ 3.97Å; F223-F225 HydrophobicContact CD1-CZ 3.97Å; F223-F225 HydrophobicContact CG-CE2 4.44Å; F223-F225 PolarHBondContact O-N 2.98Å; F225-R227 VanDerWaalsContact C-N 3.32Å; F225-R227 PolarHBondContact O-N 3.01Å; F225-H228 WeakPolarHBondContact O-CB 3.08Å; F225-H228 PolarHBondContact O-N 3.49Å; F225-L229 HydrophobicContact CD2-CD1 3.33Å; F225-L229 HydrophobicContact CD2-CG 3.76Å; F225-L229 HydrophobicContact CE2-CD1 3.43Å; F225-L229 VanDerWaalsContact CE2-CD1 3.43Å; F225-L229 HydrophobicContact CE2-CG 4.35Å; F225-L229 PolarHBondContact O-N 3.42Å
226G78.2Confident76.8Confident0 Ų078.8 Ų78.80%037%0.374CS..Hα-helixtrans-58.7-40.2-172.100000113.1F223 P224 H228 L229 L230F223-G226 WeakPolarHBondContact O-CA 3.24Å; F223-G226 PolarHBondContact O-N 3.22Å; P224-G226 VanDerWaalsContact C-N 3.32Å; G226-H228 PolarHBondContact O-N 3.17Å; G226-L229 PolarHBondContact O-N 3.42Å; G226-L230 VanDerWaalsContact O-CG 3.29Å; G226-L230 WeakPolarHBondContact O-CG 3.04Å; G226-L230 PolarHBondContact O-N 3.22Å
227R76.4Confident76.4Confident173 Ų17380.5 Ų80.565%0.65338%0.381SS*.Hα-helixtrans-61.5-43.7175.8-68.9-172.9179.2178.3-2.1112.2V220 F225 L230 K231V220-R227 HydrophobicContact CB-CG 4.31Å; V220-R227 HydrophobicContact CG1-CG 3.54Å; V220-R227 HydrophobicContact CG2-CG 3.74Å; F225-R227 VanDerWaalsContact C-N 3.32Å; F225-R227 PolarHBondContact O-N 3.01Å; R227-L230 PolarHBondContact O-N 3.32Å; R227-K231 WeakPolarHBondContact O-CB 3.39Å; R227-K231 PolarHBondContact O-N 2.97Å
228H79.1Confident76.3Confident134 Ų13477.7 Ų77.762%0.6237%0.369SS*.Hα-helixtrans-65-42.1179.7-172.375.4000111F225 G226 K231 L232F225-H228 WeakPolarHBondContact O-CB 3.08Å; F225-H228 PolarHBondContact O-N 3.49Å; G226-H228 PolarHBondContact O-N 3.17Å; H228-K231 PolarHBondContact O-N 3.48Å; H228-L232 WeakPolarHBondContact O-CB 3.45Å; H228-L232 PolarHBondContact O-N 3.33Å
229L82.1Confident76.4Confident46 Ų4673.9 Ų73.924%0.24135%0.351CS..Hα-helixtrans-64.5-46.6175.4-70.3-175.6000112.7F219 F225 G226 K231 L232 F233F219-L229 HydrophobicContact CE1-CB 4.16Å; F219-L229 HydrophobicContact CE1-CD1 4.23Å; F219-L229 HydrophobicContact CZ-CD1 3.96Å; F225-L229 HydrophobicContact CD2-CD1 3.33Å; F225-L229 HydrophobicContact CD2-CG 3.76Å; F225-L229 HydrophobicContact CE2-CD1 3.43Å; F225-L229 VanDerWaalsContact CE2-CD1 3.43Å; F225-L229 HydrophobicContact CE2-CG 4.35Å; F225-L229 PolarHBondContact O-N 3.42Å; G226-L229 PolarHBondContact O-N 3.42Å; L229-K231 PolarHBondContact O-N 2.93Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 3.05Å; L229-L232 VanDerWaalsContact O-N 3.16Å; L229-F233 HydrophobicContact CB-CD2 4.37Å; L229-F233 HydrophobicContact CB-CE2 4.45Å; L229-F233 HydrophobicContact CD2-CE2 4.24Å; L229-F233 WeakPolarHBondContact O-CD2 3.18Å; L229-F233 PolarHBondContact O-N 2.9Å
230L81.5Confident76.3Confident13 Ų1377.1 Ų77.17%0.06837%0.365CS..Hα-helixtrans-60-39.4177.6-68.2176.4000111.2W215 P216 F219 V220 G226 R227 F233 K234 V235W215-L230 HydrophobicContact CH2-CD2 3.93Å; W215-L230 HydrophobicContact CZ3-CD2 4.3Å; P216-L230 HydrophobicContact CB-CD1 3.66Å; P216-L230 HydrophobicContact CB-CD2 4.19Å; F219-L230 HydrophobicContact CD1-CD1 4.2Å; F219-L230 HydrophobicContact CD1-CD2 3.95Å; F219-L230 HydrophobicContact CD1-CG 3.89Å; F219-L230 HydrophobicContact CE1-CD2 4.35Å; F219-L230 HydrophobicContact CE1-CG 4.28Å; V220-L230 HydrophobicContact CG2-CD1 3.45Å; V220-L230 VanDerWaalsContact CG2-CD1 3.45Å; G226-L230 VanDerWaalsContact O-CG 3.29Å; G226-L230 WeakPolarHBondContact O-CG 3.04Å; G226-L230 PolarHBondContact O-N 3.22Å; R227-L230 PolarHBondContact O-N 3.32Å; L230-F233 CarbonylContact O-C 3.51Å; L230-F233 PolarHBondContact O-N 3.28Å; L230-K234 PolarHBondContact O-N 2.82Å; L230-V235 HydrophobicContact CB-CB 4.32Å; L230-V235 HydrophobicContact CD2-CB 3.73Å; L230-V235 HydrophobicContact CD2-CG1 3.79Å; L230-V235 HydrophobicContact CD2-CG2 4.17Å; L230-V235 PolarHBondContact O-N 3.27Å
231K77.3Confident76.5Confident139 Ų13979.8 Ų79.860%0.60439%0.385SS*.Hα-helixtrans-64.6-44174.4-172164.9-178.7154.40111.9D110 R227 H228 L229 F233 K234D110-K231 PolarHBondContact O-NZ 3.28Å; R227-K231 WeakPolarHBondContact O-CB 3.39Å; R227-K231 PolarHBondContact O-N 2.97Å; H228-K231 PolarHBondContact O-N 3.48Å; L229-K231 PolarHBondContact O-N 2.93Å; K231-F233 PolarHBondContact O-N 3.17Å; K231-K234 PolarHBondContact O-N 3.42Å; K231-K234 VanDerWaalsContact O-N 3.16Å
232L81.8Confident76.9Confident114 Ų11478.4 Ų78.460%0.59737%0.373SS*.Hα-helixtrans-60.3-44.3177-175.164000112.1H228 L229 K234H228-L232 WeakPolarHBondContact O-CB 3.45Å; H228-L232 PolarHBondContact O-N 3.33Å; L229-L232 WeakPolarHBondContact O-CB 3.43Å; L229-L232 PolarHBondContact O-N 3.05Å; L229-L232 VanDerWaalsContact O-N 3.16Å; L232-K234 VanDerWaalsContact C-N 3.26Å; L232-K234 PolarHBondContact O-N 3.14Å
233F80.9Confident77.3Confident149 Ų14975.2 Ų75.265%0.65436%0.357SS*.THydrogen-bonded Turntrans-83.94.4178.3-67.6-65.1000113.7L229 L230 K231 V235L229-F233 HydrophobicContact CB-CD2 4.37Å; L229-F233 HydrophobicContact CB-CE2 4.45Å; L229-F233 HydrophobicContact CD2-CE2 4.24Å; L229-F233 WeakPolarHBondContact O-CD2 3.18Å; L229-F233 PolarHBondContact O-N 2.9Å; L230-F233 CarbonylContact O-C 3.51Å; L230-F233 PolarHBondContact O-N 3.28Å; K231-F233 PolarHBondContact O-N 3.17Å; F233-V235 HydrophobicContact CB-CG2 3.91Å; F233-V235 PolarHBondContact O-N 2.77Å
234K76.1Confident77.7Confident175 Ų17574.8 Ų74.876%0.76136%0.358SS*.THydrogen-bonded Turntrans51.438.8-178.3-55.9-179.4-179.6179.90112.9L230 K231 L232 E236L230-K234 PolarHBondContact O-N 2.82Å; K231-K234 PolarHBondContact O-N 3.42Å; K231-K234 VanDerWaalsContact O-N 3.16Å; L232-K234 VanDerWaalsContact C-N 3.26Å; L232-K234 PolarHBondContact O-N 3.14Å; K234-E236 PolarHBondContact O-N 3.34Å
235V74Confident78.2Confident42 Ų4274 Ų7426%0.25535%0.348SS..  trans-83.5106.7176.6179.60000108.6W215 P216 L230 F233W215-V235 HydrophobicContact CH2-CG1 4.31Å; W215-V235 HydrophobicContact CZ2-CG1 3.75Å; P216-V235 HydrophobicContact CG-CG1 4.16Å; L230-V235 HydrophobicContact CB-CB 4.32Å; L230-V235 HydrophobicContact CD2-CB 3.73Å; L230-V235 HydrophobicContact CD2-CG1 3.79Å; L230-V235 HydrophobicContact CD2-CG2 4.17Å; L230-V235 PolarHBondContact O-N 3.27Å; F233-V235 HydrophobicContact CB-CG2 3.91Å; F233-V235 PolarHBondContact O-N 2.77Å
236E69.8Low78.4Confident50 Ų5068.8 Ų68.823%0.23433%0.325CS..  trans-95.6153.5176.9-66.8173.6-155.800111.9K234 M238K234-E236 PolarHBondContact O-N 3.34Å; E236-M238 WeakPolarHBondContact CB-O 3.47Å
237F69Low78.8Confident36 Ų3669.9 Ų69.916%0.15833%0.329CS..SBendtrans-72.3-36.6177.2-66.9-75.6000112.7R213 P216 F217R213-F237 PolarHBondContact N-O 2.88Å; P216-F237 HydrophobicContact CB-CD1 4.15Å; P216-F237 HydrophobicContact CB-CE1 3.76Å; P216-F237 HydrophobicContact CB-CZ 4.48Å; P216-F237 HydrophobicContact CG-CD1 4.37Å; P216-F237 HydrophobicContact CG-CE1 4.45Å; F217-F237 AromaticContact CD1-CE1 3.78Å; F217-F237 HydrophobicContact CD1-CE1 3.78Å; F217-F237 HydrophobicContact CD1-CZ 4.13Å; F217-F237 AromaticContact CD2-CD1 3.74Å; F217-F237 HydrophobicContact CD2-CD1 3.74Å; F217-F237 AromaticContact CD2-CE1 3.49Å; F217-F237 HydrophobicContact CD2-CE1 3.49Å; F217-F237 VanDerWaalsContact CD2-CE1 3.49Å; F217-F237 HydrophobicContact CE1-CD1 4.28Å; F217-F237 AromaticContact CE1-CE1 3.67Å; F217-F237 HydrophobicContact CE1-CE1 3.67Å; F217-F237 AromaticContact CE1-CZ 3.89Å; F217-F237 HydrophobicContact CE1-CZ 3.89Å; F217-F237 AromaticContact CE2-CD1 3.3Å; F217-F237 HydrophobicContact CE2-CD1 3.3Å; F217-F237 AromaticContact CE2-CE1 3.39Å; F217-F237 HydrophobicContact CE2-CE1 3.39Å; F217-F237 HydrophobicContact CE2-CG 4.2Å; F217-F237 HydrophobicContact CE2-CZ 4.35Å; F217-F237 HydrophobicContact CG-CD1 4.4Å; F217-F237 AromaticContact CG-CE1 3.69Å; F217-F237 HydrophobicContact CG-CE1 3.69Å; F217-F237 HydrophobicContact CG-CZ 4.46Å; F217-F237 AromaticContact CZ-CD1 3.6Å; F217-F237 HydrophobicContact CZ-CD1 3.6Å; F217-F237 AromaticContact CZ-CE1 3.48Å; F217-F237 HydrophobicContact CZ-CE1 3.48Å; F217-F237 VanDerWaalsContact CZ-CE1 3.48Å; F217-F237 HydrophobicContact CZ-CG 4.21Å; F217-F237 HydrophobicContact CZ-CZ 4.01Å
238M73.2Confident79.2Confident19 Ų1967 Ų679%0.09433%0.327CS..SBendtrans-94.5147.8172.6-73.7-179.3152.900109.6M114 L209 F212 E236 K240 V243M114-M238 HydrophobicContact CG-SD 4.04Å; L209-M238 HydrophobicContact CD1-CB 4.23Å; L209-M238 HydrophobicContact CD1-CE 4.21Å; L209-M238 HydrophobicContact CD1-CG 4.24Å; L209-M238 HydrophobicContact CD1-SD 3.89Å; L209-M238 HydrophobicContact CG-CE 4.12Å; L209-M238 HydrophobicContact CG-SD 4.46Å; F212-M238 HydrophobicContact CD1-CG 4.04Å; F212-M238 HydrophobicContact CE1-CE 3.36Å; F212-M238 HydrophobicContact CE1-CG 3.61Å; F212-M238 HydrophobicContact CE1-SD 4.24Å; F212-M238 HydrophobicContact CZ-CE 3.59Å; E236-M238 WeakPolarHBondContact CB-O 3.47Å; M238-K240 PolarHBondContact O-N 2.78Å; M238-K240 VanDerWaalsContact O-N 3.11Å; M238-V243 HydrophobicContact CB-CG2 4.13Å; M238-V243 HydrophobicContact SD-CG2 4.42Å
239P75.8Confident79.4Confident22 Ų2262.6 Ų62.614%0.14331%0.307CS..  trans-66.3111.2172.3-15.629.6000109.9S241 S242 V243P239-S241 PolarHBondContact O-N 3.4Å; P239-S241 VanDerWaalsContact O-N 3.15Å; P239-S242 WeakPolarHBondContact O-CB 3.42Å; P239-S242 PolarHBondContact O-N 3Å; P239-V243 PolarHBondContact O-N 3.35Å
240K77.7Confident79.6Confident119 Ų11960.5 Ų60.552%0.51730%0.296SS..Hα-helixtrans-48.4-43.1178.2-179.7167.9-179.1161.70113.2M238 S242 V243 D244M238-K240 PolarHBondContact O-N 2.78Å; M238-K240 VanDerWaalsContact O-N 3.11Å; K240-S242 PolarHBondContact O-N 3.19Å; K240-V243 PolarHBondContact O-N 2.83Å; K240-D244 WeakPolarHBondContact CE-OD2 3.33Å; K240-D244 WeakPolarHBondContact CG-OD2 3.38Å; K240-D244 PolarHBondContact O-N 2.79Å
241S80.8Confident79.8Confident84 Ų8464 Ų6459%0.58731%0.311SS*.Hα-helixtrans-56.6-34.5177.159.40000114.1P239 F245P239-S241 PolarHBondContact O-N 3.4Å; P239-S241 VanDerWaalsContact O-N 3.15Å; S241-F245 WeakPolarHBondContact O-CB 3.38Å; S241-F245 PolarHBondContact O-N 3.14Å
242S82.1Confident80.1Confident1 Ų163.4 Ų63.41%0.00731%0.309CS..Hα-helixtrans-77.4-35.5178.1-61.70000110.7Q205 P239 K240 F246Q205-S242 PolarHBondContact OE1-OG 2.64Å; P239-S242 WeakPolarHBondContact O-CB 3.42Å; P239-S242 PolarHBondContact O-N 3Å; K240-S242 PolarHBondContact O-N 3.19Å; S242-F246 WeakPolarHBondContact O-CD2 3.44Å; S242-F246 PolarHBondContact O-N 2.87Å
243V80.6Confident80.1Confident1 Ų160.1 Ų60.11%0.00629%0.29CS..Hα-helixtrans-68.6-48.7175.6-175.50000111.2P113 L209 M238 P239 K240 F245 F246 Y247 L302P113-V243 HydrophobicContact CB-CB 4.35Å; P113-V243 HydrophobicContact CB-CG1 3.24Å; P113-V243 HydrophobicContact CG-CB 3.85Å; P113-V243 HydrophobicContact CG-CG1 3.25Å; P113-V243 HydrophobicContact CG-CG2 3.77Å; L209-V243 HydrophobicContact CD1-CG2 3.72Å; M238-V243 HydrophobicContact CB-CG2 4.13Å; M238-V243 HydrophobicContact SD-CG2 4.42Å; P239-V243 PolarHBondContact O-N 3.35Å; K240-V243 PolarHBondContact O-N 2.83Å; V243-F245 PolarHBondContact O-N 2.87Å; V243-F246 PolarHBondContact O-N 3.28Å; V243-Y247 HydrophobicContact CG1-CD1 3.95Å; V243-Y247 HydrophobicContact CG1-CE1 3.82Å; V243-Y247 HydrophobicContact CG1-CE2 4.42Å; V243-Y247 HydrophobicContact CG1-CG 4.34Å; V243-Y247 PolarHBondContact O-N 3.3Å; V243-L302 HydrophobicContact CG1-CD2 3.91Å
244D83.3Confident80.2Confident68 Ų6853.3 Ų53.336%0.36426%0.26SS..Hα-helixtrans-55.7-42.8177.3-67-15.2000110.3K240 F246 Y247 D248K240-D244 WeakPolarHBondContact CE-OD2 3.33Å; K240-D244 WeakPolarHBondContact CG-OD2 3.38Å; K240-D244 PolarHBondContact O-N 2.79Å; D244-F246 PolarHBondContact O-N 2.67Å; D244-Y247 PolarHBondContact O-N 2.59Å; D244-Y247 VanDerWaalsContact O-N 3.17Å; D244-D248 WeakPolarHBondContact O-CB 3.38Å; D244-D248 VanDerWaalsContact O-CG 3.23Å; D244-D248 PolarHBondContact O-N 3.24Å
245F84.6Confident80.6Confident57 Ų5748.1 Ų48.125%0.2524%0.24CC..Hα-helixtrans-55.8-47.4174.1172.7-93.4000113.1P201 V202 Q205 S241 V243 I249P201-F245 HydrophobicContact CB-CZ 4.47Å; V202-F245 HydrophobicContact CB-CE1 4.38Å; V202-F245 HydrophobicContact CG1-CE1 4.46Å; V202-F245 HydrophobicContact CG2-CE1 4.08Å; V202-F245 HydrophobicContact CG2-CZ 3.98Å; Q205-F245 HydrophobicContact CB-CD1 3.83Å; Q205-F245 HydrophobicContact CB-CE1 3.89Å; Q205-F245 HydrophobicContact CG-CD1 3.78Å; Q205-F245 HydrophobicContact CG-CD2 4.41Å; Q205-F245 HydrophobicContact CG-CE1 3.82Å; Q205-F245 HydrophobicContact CG-CE2 4.45Å; Q205-F245 HydrophobicContact CG-CG 4.07Å; Q205-F245 HydrophobicContact CG-CZ 4.15Å; S241-F245 WeakPolarHBondContact O-CB 3.38Å; S241-F245 PolarHBondContact O-N 3.14Å; V243-F245 PolarHBondContact O-N 2.87Å; F245-I249 HydrophobicContact CD1-CD1 3.87Å; F245-I249 HydrophobicContact CD2-CD1 4.21Å; F245-I249 HydrophobicContact CE1-CD1 3.32Å; F245-I249 HydrophobicContact CE2-CD1 3.71Å; F245-I249 HydrophobicContact CG-CD1 4.3Å; F245-I249 HydrophobicContact CZ-CD1 3.25Å; F245-I249 WeakPolarHBondContact O-CB 3.35Å; F245-I249 VanDerWaalsContact O-CG1 3.28Å; F245-I249 WeakPolarHBondContact O-CG1 3.16Å; F245-I249 PolarHBondContact O-N 3.26Å; F245-I249 VanDerWaalsContact O-N 3.14Å
246F83.1Confident80.8Confident2 Ų249.4 Ų49.41%0.00924%0.243CC..Hα-helixtrans-68.7-37.5177.6-80-72.1000111.8V202 Q205 M206 L209 S242 V243 D244 I249 I250 L302 I305V202-F246 HydrophobicContact CG1-CE1 3.49Å; V202-F246 VanDerWaalsContact CG1-CE1 3.49Å; V202-F246 HydrophobicContact CG1-CZ 3.82Å; Q205-F246 HydrophobicContact CB-CE2 4.01Å; Q205-F246 HydrophobicContact CB-CZ 4.3Å; M206-F246 HydrophobicContact CB-CZ 4.07Å; M206-F246 HydrophobicContact CE-CE1 3.84Å; M206-F246 HydrophobicContact CE-CE2 3.9Å; M206-F246 HydrophobicContact CE-CZ 3.45Å; M206-F246 VanDerWaalsContact CE-CZ 3.45Å; L209-F246 HydrophobicContact CD2-CD2 4.26Å; L209-F246 HydrophobicContact CD2-CE2 4.29Å; S242-F246 WeakPolarHBondContact O-CD2 3.44Å; S242-F246 PolarHBondContact O-N 2.87Å; V243-F246 PolarHBondContact O-N 3.28Å; D244-F246 PolarHBondContact O-N 2.67Å; F246-I249 PolarHBondContact O-N 2.71Å; F246-I250 HydrophobicContact CB-CD1 4.38Å; F246-I250 WeakPolarHBondContact O-CB 3.41Å; F246-I250 VanDerWaalsContact O-CD1 3.27Å; F246-I250 WeakPolarHBondContact O-CD1 3.45Å; F246-I250 WeakPolarHBondContact O-CG1 3.4Å; F246-I250 PolarHBondContact O-N 2.96Å; F246-L302 HydrophobicContact CB-CD1 3.78Å; F246-L302 HydrophobicContact CD1-CD1 4.35Å; F246-L302 HydrophobicContact CD2-CD1 4.04Å; F246-L302 HydrophobicContact CG-CD1 3.8Å; F246-I305 HydrophobicContact CD1-CD1 4.15Å; F246-I305 HydrophobicContact CE1-CD1 4.44Å
247Y85.1Confident81.1Confident23 Ų2347.9 Ų47.99%0.0924%0.236CC..Hα-helixtrans-64.7-44.7178.8-83.123000111.3P113 V243 D244 I249 I250 K251 H295 L298 S299 L302P113-Y247 VanDerWaalsContact C-OH 3.22Å; P113-Y247 HydrophobicContact CB-CE1 4.41Å; P113-Y247 HydrophobicContact CB-CE2 3.83Å; P113-Y247 WeakPolarHBondContact CB-OH 3.31Å; P113-Y247 PolarHBondContact O-OH 3.23Å; V243-Y247 HydrophobicContact CG1-CD1 3.95Å; V243-Y247 HydrophobicContact CG1-CE1 3.82Å; V243-Y247 HydrophobicContact CG1-CE2 4.42Å; V243-Y247 HydrophobicContact CG1-CG 4.34Å; V243-Y247 PolarHBondContact O-N 3.3Å; D244-Y247 PolarHBondContact O-N 2.59Å; D244-Y247 VanDerWaalsContact O-N 3.17Å; Y247-I249 VanDerWaalsContact C-N 3.31Å; Y247-I249 PolarHBondContact O-N 2.88Å; Y247-I250 PolarHBondContact O-N 3Å; Y247-K251 WeakPolarHBondContact O-CB 3.32Å; Y247-K251 PolarHBondContact O-N 3.08Å; Y247-H295 AromaticContact CE2-NE2 3.66Å; Y247-L298 HydrophobicContact CD1-CB 4.41Å; Y247-L298 HydrophobicContact CD2-CD1 4.23Å; Y247-L298 HydrophobicContact CE1-CB 4.28Å; Y247-L298 HydrophobicContact CE2-CB 4.4Å; Y247-L298 HydrophobicContact CG-CB 4.5Å; Y247-L298 HydrophobicContact CG-CD1 4.44Å; Y247-S299 PolarHBondContact OH-OG 2.98Å; Y247-S299 VanDerWaalsContact OH-OG 3.13Å; Y247-L302 HydrophobicContact CD1-CD2 4.27Å; Y247-L302 HydrophobicContact CE1-CB 4.19Å; Y247-L302 HydrophobicContact CE1-CD2 3.69Å
248D85.6Confident81.4Confident112 Ų11251 Ų5160%0.59925%0.253SS*.Hα-helixtrans-61.1-41.6176.4-70.2-21.4000111.4D244 K252D244-D248 WeakPolarHBondContact O-CB 3.38Å; D244-D248 VanDerWaalsContact O-CG 3.23Å; D244-D248 PolarHBondContact O-N 3.24Å; D248-K252 WeakPolarHBondContact O-CB 3.39Å; D248-K252 PolarHBondContact O-N 3.19Å
249I83.9Confident81.5Confident43 Ų4358.3 Ų58.322%0.22129%0.285CS..Hα-helixtrans-65.4-50.1176.9-76.1179.2000111.4V202 F245 F246 Y247 K251 K252 F253V202-I249 HydrophobicContact CG2-CD1 4.3Å; F245-I249 HydrophobicContact CD1-CD1 3.87Å; F245-I249 HydrophobicContact CD2-CD1 4.21Å; F245-I249 HydrophobicContact CE1-CD1 3.32Å; F245-I249 HydrophobicContact CE2-CD1 3.71Å; F245-I249 HydrophobicContact CG-CD1 4.3Å; F245-I249 HydrophobicContact CZ-CD1 3.25Å; F245-I249 WeakPolarHBondContact O-CB 3.35Å; F245-I249 VanDerWaalsContact O-CG1 3.28Å; F245-I249 WeakPolarHBondContact O-CG1 3.16Å; F245-I249 PolarHBondContact O-N 3.26Å; F245-I249 VanDerWaalsContact O-N 3.14Å; F246-I249 PolarHBondContact O-N 2.71Å; Y247-I249 VanDerWaalsContact C-N 3.31Å; Y247-I249 PolarHBondContact O-N 2.88Å; I249-K251 VanDerWaalsContact C-N 3.3Å; I249-K251 PolarHBondContact O-N 3.35Å; I249-K252 WeakPolarHBondContact O-CB 3.04Å; I249-K252 PolarHBondContact O-N 3.04Å; I249-F253 HydrophobicContact CB-CE2 4.46Å; I249-F253 HydrophobicContact CG2-CD2 3.66Å; I249-F253 HydrophobicContact CG2-CE2 3.1Å; I249-F253 HydrophobicContact CG2-CZ 3.92Å; I249-F253 WeakPolarHBondContact O-CD2 3.45Å; I249-F253 WeakPolarHBondContact O-CG 3.13Å; I249-F253 PolarHBondContact O-N 2.94Å
250I84.6Confident81.2Confident2 Ų263.9 Ų63.91%0.0131%0.309CS..Hα-helixtrans-63.6-40.8-179.4-65158.2000110F246 Y247 F253 K254 L298 A301 L302 I305F246-I250 HydrophobicContact CB-CD1 4.38Å; F246-I250 WeakPolarHBondContact O-CB 3.41Å; F246-I250 VanDerWaalsContact O-CD1 3.27Å; F246-I250 WeakPolarHBondContact O-CD1 3.45Å; F246-I250 WeakPolarHBondContact O-CG1 3.4Å; F246-I250 PolarHBondContact O-N 2.96Å; Y247-I250 PolarHBondContact O-N 3Å; I250-F253 PolarHBondContact O-N 2.66Å; I250-K254 PolarHBondContact O-N 3.32Å; I250-L298 HydrophobicContact CB-CD2 3.92Å; I250-L298 HydrophobicContact CG2-CD2 3.47Å; I250-L298 VanDerWaalsContact CG2-CD2 3.47Å; I250-A301 HydrophobicContact CD1-CB 3.71Å; I250-A301 HydrophobicContact CG1-CB 4.15Å; I250-A301 HydrophobicContact CG2-CB 3.61Å; I250-L302 HydrophobicContact CD1-CB 4.33Å; I250-I305 HydrophobicContact CD1-CD1 4.45Å
251K85.9Confident80.5Confident86 Ų8664.6 Ų64.637%0.37432%0.318SS..Hα-helixtrans-61.7-45.3176.2-174.3170-173.1165.30111.4Y247 I249 F253 K254 D255 L298Y247-K251 WeakPolarHBondContact O-CB 3.32Å; Y247-K251 PolarHBondContact O-N 3.08Å; I249-K251 VanDerWaalsContact C-N 3.3Å; I249-K251 PolarHBondContact O-N 3.35Å; K251-F253 VanDerWaalsContact C-N 3.29Å; K251-F253 PolarHBondContact O-N 3.02Å; K251-K254 WeakPolarHBondContact O-CB 3.28Å; K251-K254 PolarHBondContact O-N 2.83Å; K251-D255 PolarHBondContact O-N 3.5Å; K251-L298 HydrophobicContact CB-CD2 4.32Å
252K84.8Confident79.4Confident127 Ų12761.8 Ų61.855%0.55230%0.299SS*.Hα-helixtrans-57.7-42.5174.8-176.4-178.8175.9-174.90111.8D248 I249 D255 Q256D248-K252 WeakPolarHBondContact O-CB 3.39Å; D248-K252 PolarHBondContact O-N 3.19Å; I249-K252 WeakPolarHBondContact O-CB 3.04Å; I249-K252 PolarHBondContact O-N 3.04Å; K252-D255 PolarHBondContact O-N 3.01Å; K252-Q256 WeakPolarHBondContact O-CG 3.15Å; K252-Q256 PolarHBondContact O-N 3.02Å
253F81.3Confident78.2Confident45 Ų4568.1 Ų68.120%0.19734%0.338CS..Hα-helixtrans-68.4-39.4177.7-65.4-45.4000112.8V190 I249 I250 K251 D255 Q256 H257 L268V190-F253 HydrophobicContact CB-CE2 4.09Å; V190-F253 HydrophobicContact CB-CZ 4.09Å; V190-F253 HydrophobicContact CG1-CE1 4.2Å; V190-F253 HydrophobicContact CG1-CE2 3.83Å; V190-F253 HydrophobicContact CG1-CZ 3.49Å; V190-F253 VanDerWaalsContact CG1-CZ 3.49Å; V190-F253 HydrophobicContact CG2-CD1 3.83Å; V190-F253 HydrophobicContact CG2-CD2 3.31Å; V190-F253 HydrophobicContact CG2-CE1 3.69Å; V190-F253 HydrophobicContact CG2-CE2 3.09Å; V190-F253 HydrophobicContact CG2-CG 3.69Å; V190-F253 HydrophobicContact CG2-CZ 3.33Å; I249-F253 HydrophobicContact CB-CE2 4.46Å; I249-F253 HydrophobicContact CG2-CD2 3.66Å; I249-F253 HydrophobicContact CG2-CE2 3.1Å; I249-F253 HydrophobicContact CG2-CZ 3.92Å; I249-F253 WeakPolarHBondContact O-CD2 3.45Å; I249-F253 WeakPolarHBondContact O-CG 3.13Å; I249-F253 PolarHBondContact O-N 2.94Å; I250-F253 PolarHBondContact O-N 2.66Å; K251-F253 VanDerWaalsContact C-N 3.29Å; K251-F253 PolarHBondContact O-N 3.02Å; F253-D255 VanDerWaalsContact C-N 3.35Å; F253-D255 PolarHBondContact O-N 2.97Å; F253-Q256 PolarHBondContact O-N 3.15Å; F253-H257 PolarHBondContact O-CD2 3.1Å; F253-H257 PolarHBondContact O-N 2.91Å; F253-L268 HydrophobicContact CB-CD2 4.37Å
254K82.7Confident77.3Confident6 Ų674 Ų743%0.02636%0.359CS..Hα-helixtrans-57.1-49171.6-179.6-174.4173.7-169.80111.1I250 K251 Q256 H257 I258 I272 E275 E294I250-K254 PolarHBondContact O-N 3.32Å; K251-K254 WeakPolarHBondContact O-CB 3.28Å; K251-K254 PolarHBondContact O-N 2.83Å; K254-Q256 VanDerWaalsContact C-N 3.29Å; K254-Q256 PolarHBondContact O-N 2.77Å; K254-H257 PolarHBondContact O-N 3.35Å; K254-I258 HydrophobicContact CG-CD1 4.2Å; K254-I258 WeakPolarHBondContact O-CG1 3.5Å; K254-I258 PolarHBondContact O-N 2.76Å; K254-I258 VanDerWaalsContact O-N 3.13Å; K254-I272 HydrophobicContact CB-CD1 4.48Å; K254-I272 HydrophobicContact CG-CD1 3.89Å; K254-I272 HydrophobicContact CG-CG1 4.07Å; K254-E275 WeakPolarHBondContact CE-OE2 3.46Å; K254-E275 IonicContact NZ-OE1 3.43Å; K254-E275 PolarHBondContact NZ-OE1 3.31Å; K254-E275 IonicContact NZ-OE2 2.79Å; K254-E275 PolarHBondContact NZ-OE2 3.35Å; K254-E294 IonicContact NZ-OE1 2.8Å
255D83.9Confident76.4Confident65 Ų6572 Ų7235%0.34836%0.356SS..Hα-helixtrans-63.7-34.7-179.8-68.7-15.7000112.5K251 K252 F253 K259K251-D255 PolarHBondContact O-N 3.5Å; K252-D255 PolarHBondContact O-N 3.01Å; F253-D255 VanDerWaalsContact C-N 3.35Å; F253-D255 PolarHBondContact O-N 2.97Å; D255-K259 VanDerWaalsContact O-CG 3.28Å; D255-K259 WeakPolarHBondContact O-CG 3.24Å; D255-K259 PolarHBondContact O-N 3.39Å
256Q79.5Confident76Confident70 Ų7069.6 Ų69.633%0.32735%0.345SS..Hα-helixtrans-68.6-45.4174.3-76176.9-35.800111.8K252 F253 K254 I258 K259 E260K252-Q256 WeakPolarHBondContact O-CG 3.15Å; K252-Q256 PolarHBondContact O-N 3.02Å; F253-Q256 PolarHBondContact O-N 3.15Å; K254-Q256 VanDerWaalsContact C-N 3.29Å; K254-Q256 PolarHBondContact O-N 2.77Å; Q256-I258 VanDerWaalsContact C-N 3.28Å; Q256-I258 PolarHBondContact O-N 2.78Å; Q256-K259 PolarHBondContact O-N 2.76Å; Q256-K259 VanDerWaalsContact O-N 3.07Å; Q256-E260 WeakPolarHBondContact O-CB 3.47Å; Q256-E260 WeakPolarHBondContact O-CG 3.43Å; Q256-E260 PolarHBondContact O-N 2.67Å
257H75.4Confident76.1Confident17 Ų1769.5 Ų69.58%0.07935%0.345CS..Hα-helixtrans-55.7-42.5176.6-99.3-90.1000112.7F253 K254 D261 D266 I272F253-H257 PolarHBondContact O-CD2 3.1Å; F253-H257 PolarHBondContact O-N 2.91Å; K254-H257 PolarHBondContact O-N 3.35Å; H257-D261 PolarHBondContact O-N 2.89Å; H257-D266 IonicContact CE1-OD2 2.72Å; H257-D266 PolarHBondContact CE1-OD2 3.43Å; H257-D266 IonicContact NE2-OD2 2.86Å; H257-D266 PolarHBondContact NE2-OD2 2.86Å; H257-I272 HydrophobicContact CB-CD1 3.97Å
258I75.5Confident76.1Confident101 Ų10168.4 Ų68.452%0.51834%0.341SS..Hα-helixtrans-66.1-38178-66.4167.8000111.3K254 Q256 I272K254-I258 HydrophobicContact CG-CD1 4.2Å; K254-I258 WeakPolarHBondContact O-CG1 3.5Å; K254-I258 PolarHBondContact O-N 2.76Å; K254-I258 VanDerWaalsContact O-N 3.13Å; Q256-I258 VanDerWaalsContact C-N 3.28Å; Q256-I258 PolarHBondContact O-N 2.78Å; I258-I272 HydrophobicContact CG1-CG2 4.43Å
259K75.1Confident76Confident173 Ų17364.8 Ų64.875%0.75232%0.32SS*.Hα-helixtrans-75.8-36.7-178.1-74.6172.8-175.6174.60113.5D255 Q256 D261D255-K259 VanDerWaalsContact O-CG 3.28Å; D255-K259 WeakPolarHBondContact O-CG 3.24Å; D255-K259 PolarHBondContact O-N 3.39Å; Q256-K259 PolarHBondContact O-N 2.76Å; Q256-K259 VanDerWaalsContact O-N 3.07Å; K259-D261 VanDerWaalsContact C-N 3.35Å
260E69.8Low76.1Confident139 Ų13963.3 Ų63.365%0.6531%0.313SS*.Hα-helixtrans-88.8-2-172.5-67.6175.9-172.500113.1Q256 S262Q256-E260 WeakPolarHBondContact O-CB 3.47Å; Q256-E260 WeakPolarHBondContact O-CG 3.43Å; Q256-E260 PolarHBondContact O-N 2.67Å; E260-S262 PolarHBondContact O-N 3.37Å; E260-S262 VanDerWaalsContact O-N 3.17Å
261D62.9Low76.4Confident134 Ų13463.3 Ų63.372%0.71731%0.313SS*.THydrogen-bonded Turntrans44.643.5-170.6-162.728000111.2H257 K259 T263H257-D261 PolarHBondContact O-N 2.89Å; K259-D261 VanDerWaalsContact C-N 3.35Å; D261-T263 PolarHBondContact O-N 3.36Å
262S58.2Low76.5Confident25 Ų2560.4 Ų60.418%0.17530%0.301CS..  trans-63.7111.6-171.4179.50000109.5E260 R264E260-S262 PolarHBondContact O-N 3.37Å; E260-S262 VanDerWaalsContact O-N 3.17Å; S262-R264 PolarHBondContact O-N 3.2Å
263T55.8Low76.7Confident135 Ų13561 Ų6183%0.82831%0.306SS*.  trans-79.65.7178.153.20000113.1D261 G265D261-T263 PolarHBondContact O-N 3.36Å; T263-G265 PolarHBondContact O-N 3.21Å
264R62Low77.1Confident123 Ų12360.5 Ų60.546%0.46431%0.308SS..  trans-64.8122.8176.9-89.7-172.8179.3-174.4-0.4109.7E191 S262 D266E191-R264 IonicContact OE1-NH1 3.03Å; E191-R264 IonicContact OE1-NH2 3.96Å; S262-R264 PolarHBondContact O-N 3.2Å; R264-D266 PolarHBondContact O-N 3.19Å
265G64.9Low77.6Confident28 Ų2863.7 Ų63.729%0.28932%0.323SS..  trans-79.250.8-175.900000114.6R141 T263R141-G265 WeakPolarHBondContact CD-O 3.46Å; R141-G265 PolarHBondContact NH1-O 3.38Å; T263-G265 PolarHBondContact O-N 3.21Å
266D76.6Confident78Confident5 Ų561.9 Ų61.93%0.02731%0.314CS..  trans-80.6179.3176.664.140.3000113.4A186 S189 H257 R264 L268 Q269A186-D266 WeakPolarHBondContact O-CB 3.37Å; S189-D266 VanDerWaalsContact CB-OD2 3.23Å; S189-D266 WeakPolarHBondContact CB-OD2 3.28Å; S189-D266 PolarHBondContact OG-OD2 3.13Å; H257-D266 IonicContact CE1-OD2 2.72Å; H257-D266 PolarHBondContact CE1-OD2 3.43Å; H257-D266 IonicContact NE2-OD2 2.86Å; H257-D266 PolarHBondContact NE2-OD2 2.86Å; R264-D266 PolarHBondContact O-N 3.19Å; D266-L268 WeakPolarHBondContact OD1-CA 3.45Å; D266-L268 WeakPolarHBondContact OD1-CB 3.37Å; D266-L268 PolarHBondContact OD1-N 3.36Å; D266-Q269 WeakPolarHBondContact OD1-CB 3.46Å; D266-Q269 PolarHBondContact OD1-N 2.8Å
267F84.7Confident78.5Confident1 Ų162 Ų620%0.00432%0.32CS..Hα-helixtrans-73.3-30.7-179.5-55.4-21000113C136 F137 R141 V145 A186 S187 Q269 V270 M271 F304 Y449C136-F267 HydrophobicContact CB-CB 4.21Å; C136-F267 HydrophobicContact CB-CD1 3.61Å; C136-F267 HydrophobicContact CB-CE1 4.09Å; C136-F267 HydrophobicContact CB-CG 3.89Å; C136-F267 WeakPolarHBondContact O-CE1 3.01Å; F137-F267 HydrophobicContact CD1-CE2 4.29Å; F137-F267 HydrophobicContact CD1-CZ 4.06Å; F137-F267 HydrophobicContact CE1-CD2 4.26Å; F137-F267 AromaticContact CE1-CE2 3.53Å; F137-F267 HydrophobicContact CE1-CE2 3.53Å; F137-F267 AromaticContact CE1-CZ 3.77Å; F137-F267 HydrophobicContact CE1-CZ 3.77Å; F137-F267 HydrophobicContact CZ-CD2 4.23Å; F137-F267 AromaticContact CZ-CE2 3.96Å; F137-F267 HydrophobicContact CZ-CE2 3.96Å; F137-F267 HydrophobicContact CZ-CZ 4.47Å; R141-F267 HydrophobicContact CG-CD1 4.33Å; R141-F267 HydrophobicContact CG-CE1 3.99Å; V145-F267 HydrophobicContact CG2-CE1 4.17Å; A186-F267 PolarHBondContact O-N 3.44Å; S187-F267 WeakPolarHBondContact OG-CD2 3.24Å; F267-Q269 VanDerWaalsContact C-N 3.33Å; F267-V270 PolarHBondContact O-N 2.57Å; F267-M271 WeakPolarHBondContact O-CG 3.41Å; F267-M271 PolarHBondContact O-N 2.88Å; F267-F304 HydrophobicContact CB-CD2 4.4Å; F267-F304 HydrophobicContact CB-CE2 4.23Å; F267-F304 HydrophobicContact CD2-CD2 4.05Å; F267-F304 HydrophobicContact CD2-CE2 4.26Å; F267-Y449 HydrophobicContact CE2-CD2 4.43Å; F267-Y449 HydrophobicContact CE2-CE2 4.43Å; F267-Y449 HydrophobicContact CZ-CD2 4.02Å; F267-Y449 HydrophobicContact CZ-CE2 4.26Å; F267-Y449 HydrophobicContact CZ-CG 4.49Å
268L84.8Confident79.1Confident0 Ų068 Ų680%035%0.348CS..Hα-helixtrans-64.2-40.9177.5-178.260.6000110.7S187 F188 F253 D266 V270 M271 I272 I297S187-L268 WeakPolarHBondContact O-CB 3.23Å; S187-L268 PolarHBondContact O-N 3.41Å; F188-L268 HydrophobicContact CB-CD2 4.5Å; F188-L268 HydrophobicContact CD1-CB 4.04Å; F188-L268 HydrophobicContact CD1-CD1 4.38Å; F188-L268 HydrophobicContact CD1-CD2 4.18Å; F188-L268 HydrophobicContact CD1-CG 4.42Å; F253-L268 HydrophobicContact CB-CD2 4.37Å; D266-L268 WeakPolarHBondContact OD1-CA 3.45Å; D266-L268 WeakPolarHBondContact OD1-CB 3.37Å; D266-L268 PolarHBondContact OD1-N 3.36Å; L268-V270 VanDerWaalsContact C-N 3.3Å; L268-V270 PolarHBondContact O-N 3.17Å; L268-M271 HydrophobicContact CB-CE 4.43Å; L268-M271 HydrophobicContact CD1-CE 4.02Å; L268-M271 CarbonylContact O-C 3.57Å; L268-M271 WeakPolarHBondContact O-CA 3.41Å; L268-M271 WeakPolarHBondContact O-CB 3.27Å; L268-M271 PolarHBondContact O-N 3.36Å; L268-I272 HydrophobicContact CD1-CD1 4.14Å; L268-I272 HydrophobicContact CD1-CG1 4.16Å; L268-I272 HydrophobicContact CD2-CD1 4.27Å; L268-I272 HydrophobicContact CG-CD1 3.72Å; L268-I272 HydrophobicContact CG-CG1 4.2Å; L268-I272 WeakPolarHBondContact O-CG1 3.45Å; L268-I272 PolarHBondContact O-N 3.37Å; L268-I297 HydrophobicContact CD1-CG2 3.98Å
269Q84.3Confident79.7Confident36 Ų3667.8 Ų67.817%0.16836%0.356CS..Hα-helixtrans-57.8-42.2176-17362.218.700112D266 F267 M271 I272 Q273D266-Q269 WeakPolarHBondContact OD1-CB 3.46Å; D266-Q269 PolarHBondContact OD1-N 2.8Å; F267-Q269 VanDerWaalsContact C-N 3.33Å; Q269-M271 VanDerWaalsContact C-N 3.31Å; Q269-M271 PolarHBondContact O-N 3.17Å; Q269-I272 PolarHBondContact O-N 3.02Å; Q269-Q273 WeakPolarHBondContact O-CB 3.46Å; Q269-Q273 VanDerWaalsContact O-CG 3.25Å; Q269-Q273 WeakPolarHBondContact O-CG 3.45Å; Q269-Q273 PolarHBondContact O-N 3.21Å
270V86Confident80.2Confident12 Ų1263.3 Ų63.37%0.07334%0.34CS..Hα-helixtrans-63.3-39.6176177.40000111.2P135 F267 L268 S274P135-V270 HydrophobicContact CB-CG1 4.37Å; F267-V270 PolarHBondContact O-N 2.57Å; L268-V270 VanDerWaalsContact C-N 3.3Å; L268-V270 PolarHBondContact O-N 3.17Å; V270-S274 WeakPolarHBondContact O-CB 3.28Å; V270-S274 PolarHBondContact O-N 2.99Å; V270-S274 PolarHBondContact O-OG 2.88Å
271M89.8Confident81.1Confident1 Ų159 Ų591%0.00532%0.321CS..Hα-helixtrans-69.2-43.2178.5-67.2-171.8-6700111.9F188 F267 L268 Q269 S274 E275 L292 I297 Q300 A301 F304F188-M271 HydrophobicContact CE1-CE 4.31Å; F267-M271 WeakPolarHBondContact O-CG 3.41Å; F267-M271 PolarHBondContact O-N 2.88Å; L268-M271 HydrophobicContact CB-CE 4.43Å; L268-M271 HydrophobicContact CD1-CE 4.02Å; L268-M271 CarbonylContact O-C 3.57Å; L268-M271 WeakPolarHBondContact O-CA 3.41Å; L268-M271 WeakPolarHBondContact O-CB 3.27Å; L268-M271 PolarHBondContact O-N 3.36Å; Q269-M271 VanDerWaalsContact C-N 3.31Å; Q269-M271 PolarHBondContact O-N 3.17Å; M271-S274 CarbonylContact O-C 3.58Å; M271-S274 PolarHBondContact O-N 3.41Å; M271-E275 PolarHBondContact O-N 3.47Å; M271-L292 HydrophobicContact CB-CD1 3.94Å; M271-L292 HydrophobicContact CG-CD1 3.77Å; M271-L292 HydrophobicContact SD-CD1 4.24Å; M271-I297 HydrophobicContact CB-CG1 4.16Å; M271-I297 HydrophobicContact CB-CG2 3.99Å; M271-I297 HydrophobicContact CE-CG2 4.43Å; M271-I297 HydrophobicContact SD-CG2 4.48Å; M271-Q300 HydrophobicContact SD-CB 3.62Å; M271-Q300 HydrophobicContact SD-CG 4.38Å; M271-A301 HydrophobicContact CE-CB 4.37Å; M271-F304 HydrophobicContact SD-CE2 4.33Å
272I88.1Confident82.1Confident25 Ų2559.8 Ų59.813%0.12832%0.318CS..Hα-helixtrans-64-44.7176.9-67170.7000110.9K254 H257 I258 L268 Q269 S274 E275K254-I272 HydrophobicContact CB-CD1 4.48Å; K254-I272 HydrophobicContact CG-CD1 3.89Å; K254-I272 HydrophobicContact CG-CG1 4.07Å; H257-I272 HydrophobicContact CB-CD1 3.97Å; I258-I272 HydrophobicContact CG1-CG2 4.43Å; L268-I272 HydrophobicContact CD1-CD1 4.14Å; L268-I272 HydrophobicContact CD1-CG1 4.16Å; L268-I272 HydrophobicContact CD2-CD1 4.27Å; L268-I272 HydrophobicContact CG-CD1 3.72Å; L268-I272 HydrophobicContact CG-CG1 4.2Å; L268-I272 WeakPolarHBondContact O-CG1 3.45Å; L268-I272 PolarHBondContact O-N 3.37Å; Q269-I272 PolarHBondContact O-N 3.02Å; I272-S274 PolarHBondContact O-N 3.07Å; I272-S274 VanDerWaalsContact O-N 3.16Å; I272-E275 WeakPolarHBondContact O-CB 3.19Å; I272-E275 PolarHBondContact O-N 3.41Å
273Q88.6Confident83.4Confident139 Ų13961 Ų6165%0.6533%0.327SS*.Hα-helixtrans-64.4-19.8177.3-74.5177.2-18.400113.3Q269Q269-Q273 WeakPolarHBondContact O-CB 3.46Å; Q269-Q273 VanDerWaalsContact O-CG 3.25Å; Q269-Q273 WeakPolarHBondContact O-CG 3.45Å; Q269-Q273 PolarHBondContact O-N 3.21Å
274S90.8Very high84.4Confident36 Ų3662 Ų6225%0.25232%0.322SS..THydrogen-bonded Turntrans-102.915.8176.7-50.20000112V270 M271 I272 G291 L292V270-S274 WeakPolarHBondContact O-CB 3.28Å; V270-S274 PolarHBondContact O-N 2.99Å; V270-S274 PolarHBondContact O-OG 2.88Å; M271-S274 CarbonylContact O-C 3.58Å; M271-S274 PolarHBondContact O-N 3.41Å; I272-S274 PolarHBondContact O-N 3.07Å; I272-S274 VanDerWaalsContact O-N 3.16Å; S274-G291 CarbonylContact O-C 3.43Å; S274-G291 WeakPolarHBondContact O-CA 3.39Å; S274-L292 PolarHBondContact O-N 2.9Å
275E93.1Very high85.3Confident73 Ų7363.5 Ų63.534%0.34133%0.334SS..BIsolated β-bridgetrans-68.5132.8179.6-172.9165.1-171.200110.9K254 M271 I272 L292 I297K254-E275 WeakPolarHBondContact CE-OE2 3.46Å; K254-E275 IonicContact NZ-OE1 3.43Å; K254-E275 PolarHBondContact NZ-OE1 3.31Å; K254-E275 IonicContact NZ-OE2 2.79Å; K254-E275 PolarHBondContact NZ-OE2 3.35Å; M271-E275 PolarHBondContact O-N 3.47Å; I272-E275 WeakPolarHBondContact O-CB 3.19Å; I272-E275 PolarHBondContact O-N 3.41Å; E275-L292 CarbonylContact C-O 3.59Å; E275-L292 VanDerWaalsContact CA-O 3.31Å; E275-L292 WeakPolarHBondContact CA-O 3.43Å; E275-I297 HydrophobicContact CB-CD1 3.92Å; E275-I297 HydrophobicContact CG-CD1 3.94Å
276I92.6Very high86.3Confident27 Ų2767.1 Ų67.114%0.13834%0.343CS..  trans-125.214717660.1170.2000109.9D280 P288 L292I276-D280 HydrophobicContact CB-CB 4.48Å; I276-D280 HydrophobicContact CD1-CB 4.39Å; I276-P288 HydrophobicContact CD1-CG 3.55Å; I276-L292 PolarHBondContact N-O 3.11Å
277P90.6Very high86.9Confident72 Ų7268.4 Ų68.447%0.46835%0.349SS..  trans-67.9152.2173.530.9-35.6000110.6S279 D280P277-S279 PolarHBondContact O-N 3.03Å; P277-S279 VanDerWaalsContact O-N 3.13Å; P277-D280 WeakPolarHBondContact CD-OD2 3.25Å; P277-D280 HydrophobicContact CG-CB 4.43Å; P277-D280 WeakPolarHBondContact CG-OD1 2.85Å; P277-D280 WeakPolarHBondContact O-CB 3.11Å; P277-D280 PolarHBondContact O-N 2.88Å
278E87.3Confident87.1Confident143 Ų14370.1 Ų70.167%0.66836%0.36SS*.G310 helixtrans-59.4-26.6177.1-67.3-170.7169.600112.7D280 I281 T293E278-D280 PolarHBondContact O-N 2.73Å; E278-I281 WeakPolarHBondContact O-CB 3.43Å; E278-I281 PolarHBondContact O-N 2.89Å; E278-T293 HydrophobicContact CG-CG2 4.01Å
279S87.8Confident87.3Confident96 Ų9675.4 Ų75.467%0.67140%0.397SS*.G310 helixtrans-60.8-23.1175.955.80000114.2P277 I281P277-S279 PolarHBondContact O-N 3.03Å; P277-S279 VanDerWaalsContact O-N 3.13Å; S279-I281 PolarHBondContact O-N 2.94Å
280D86.7Confident87.6Confident80 Ų8079.5 Ų79.543%0.42841%0.414SS..G310 helixtrans-76.9-11.1177.8-70.57.1000111.7I276 P277 E278 K282I276-D280 HydrophobicContact CB-CB 4.48Å; I276-D280 HydrophobicContact CD1-CB 4.39Å; P277-D280 WeakPolarHBondContact CD-OD2 3.25Å; P277-D280 HydrophobicContact CG-CB 4.43Å; P277-D280 WeakPolarHBondContact CG-OD1 2.85Å; P277-D280 WeakPolarHBondContact O-CB 3.11Å; P277-D280 PolarHBondContact O-N 2.88Å; E278-D280 PolarHBondContact O-N 2.73Å; D280-K282 PolarHBondContact O-N 3.4Å
281I88.2Confident88Confident48 Ų4879 Ų7925%0.24641%0.412CS..  trans-90.497.5173.9-49.4-167.8000109R128 E278 S279 T293R128-I281 VanDerWaalsContact NH1-CD1 3.26Å; R128-I281 VanDerWaalsContact NH1-CG1 3.33Å; E278-I281 WeakPolarHBondContact O-CB 3.43Å; E278-I281 PolarHBondContact O-N 2.89Å; S279-I281 PolarHBondContact O-N 2.94Å; I281-T293 HydrophobicContact CD1-CG2 3.39Å; I281-T293 HydrophobicContact CG1-CG2 4.34Å
282K83.6Confident88.2Confident151 Ų15179 Ų7966%0.65741%0.412SS*.  trans-73-44-179.8-65.3176.7-179.6-176.80112.8D280 E286D280-K282 PolarHBondContact O-N 3.4Å; K282-E286 HydrophobicContact CB-CB 4.25Å; K282-E286 HydrophobicContact CB-CG 4.4Å; K282-E286 HydrophobicContact CD-CG 4.03Å; K282-E286 WeakPolarHBondContact CD-OE1 3.23Å; K282-E286 IonicContact NZ-OE1 2.74Å; K282-E286 PolarHBondContact NZ-OE1 2.89Å
283S84.9Confident88.5Confident51 Ų5178 Ų7836%0.35741%0.407SS..  trans-161.8171.5177.1700000111.6H285 E286 Q287S283-H285 PolarHBondContact O-N 3.3Å; S283-H285 PolarHBondContact OG-N 2.96Å; S283-E286 PolarHBondContact N-O 3.31Å; S283-E286 CarbonylContact O-C 3.45Å; S283-E286 PolarHBondContact O-N 3.47Å; S283-E286 WeakPolarHBondContact OG-CB 3.33Å; S283-E286 PolarHBondContact OG-N 3.11Å; S283-Q287 PolarHBondContact O-NE2 3.15Å
284E76.8Confident88.5Confident155 Ų15575 Ų7572%0.72439%0.393SS*.SBendtrans-58.1-29174-68.7-164.6159.900113.4
285H81.4Confident88.4Confident155 Ų15576.3 Ų76.372%0.71840%0.395SS*.SBendtrans-94.4-24-179.4-59-54.4000113.2S283S283-H285 PolarHBondContact O-N 3.3Å; S283-H285 PolarHBondContact OG-N 2.96Å
286E85.9Confident88.3Confident103 Ų10372.9 Ų72.948%0.48138%0.379SS..SBendtrans-111.381.1179.7-162.4-178.5167.300109.5K282 S283K282-E286 HydrophobicContact CB-CB 4.25Å; K282-E286 HydrophobicContact CB-CG 4.4Å; K282-E286 HydrophobicContact CD-CG 4.03Å; K282-E286 WeakPolarHBondContact CD-OE1 3.23Å; K282-E286 IonicContact NZ-OE1 2.74Å; K282-E286 PolarHBondContact NZ-OE1 2.89Å; S283-E286 PolarHBondContact N-O 3.31Å; S283-E286 CarbonylContact O-C 3.45Å; S283-E286 PolarHBondContact O-N 3.47Å; S283-E286 WeakPolarHBondContact OG-CB 3.33Å; S283-E286 PolarHBondContact OG-N 3.11Å
287Q89.4Confident88.3Confident33 Ų3371.6 Ų71.615%0.15437%0.372CS..  trans-98.2146.1178.7-61.6-77-50.900110E124 R125 S283E124-Q287 HydrophobicContact CB-CB 4.24Å; E124-Q287 HydrophobicContact CB-CG 3.9Å; R125-Q287 HydrophobicContact CB-CG 4.43Å; S283-Q287 PolarHBondContact O-NE2 3.15Å
288P89.6Confident88.2Confident37 Ų3768.8 Ų68.824%0.2435%0.353CS..  trans-62.1159.2167.222.8-28.7000111R128 I276 K290R128-P288 VanDerWaalsContact CD-O 3.3Å; R128-P288 WeakPolarHBondContact CD-O 3.3Å; R128-P288 VanDerWaalsContact CG-O 3.24Å; R128-P288 WeakPolarHBondContact CG-O 3.46Å; I276-P288 HydrophobicContact CD1-CG 3.55Å; P288-K290 VanDerWaalsContact C-N 3.3Å; P288-K290 PolarHBondContact O-N 3.24Å
289S87.4Confident88.2Confident110 Ų11062 Ų6277%0.76932%0.321SS*.SBendtrans-66.6-31.9-175.561.50000113.2
290K92.3Very high88.4Confident123 Ų12357.4 Ų57.454%0.53529%0.289SS..SBendtrans-146.7164.6175.7-68.2-172.5178.9-1800109.8A131 T132 P288A131-K290 HydrophobicContact CB-CG 4.35Å; T132-K290 WeakPolarHBondContact OG1-CA 3.45Å; P288-K290 VanDerWaalsContact C-N 3.3Å; P288-K290 PolarHBondContact O-N 3.24Å
291G93.6Very high88.6Confident2 Ų253.6 Ų53.62%0.02127%0.269CS..  trans125.2157.517500000112.8R128 T132 S274R128-G291 WeakPolarHBondContact CD-O 3.32Å; R128-G291 PolarHBondContact NE-O 3.27Å; T132-G291 PolarHBondContact OG1-N 3.25Å; S274-G291 CarbonylContact O-C 3.43Å; S274-G291 WeakPolarHBondContact O-CA 3.39Å
292L94.7Very high88.5Confident0 Ų051.3 Ų51.30%026%0.257CS..BIsolated β-bridgetrans-130.8138.7175.1-60.4172.2000109.8I129 T132 I133 M271 S274 E275 I276 E296 I297 Q300I129-L292 HydrophobicContact CB-CD2 4.16Å; I129-L292 HydrophobicContact CG1-CD2 3.82Å; I129-L292 HydrophobicContact CG2-CD2 3.94Å; T132-L292 HydrophobicContact CG2-CD1 4.12Å; T132-L292 HydrophobicContact CG2-CD2 4.42Å; T132-L292 HydrophobicContact CG2-CG 3.79Å; I133-L292 HydrophobicContact CG2-CD1 4.19Å; M271-L292 HydrophobicContact CB-CD1 3.94Å; M271-L292 HydrophobicContact CG-CD1 3.77Å; M271-L292 HydrophobicContact SD-CD1 4.24Å; S274-L292 PolarHBondContact O-N 2.9Å; E275-L292 CarbonylContact C-O 3.59Å; E275-L292 VanDerWaalsContact CA-O 3.31Å; E275-L292 WeakPolarHBondContact CA-O 3.43Å; I276-L292 PolarHBondContact N-O 3.11Å; L292-E296 WeakPolarHBondContact CA-OE2 3.19Å; L292-E296 HydrophobicContact CB-CB 4.15Å; L292-E296 HydrophobicContact CD2-CB 4.15Å; L292-I297 HydrophobicContact CB-CD1 4.35Å; L292-I297 HydrophobicContact CB-CG1 3.6Å; L292-I297 HydrophobicContact CD1-CG1 3.97Å; L292-I297 HydrophobicContact CG-CG1 4.44Å; L292-Q300 HydrophobicContact CD1-CG 4.38Å; L292-Q300 HydrophobicContact CD2-CG 4.44Å
293T93.1Very high88.8Confident5 Ų544.8 Ų44.83%0.03123%0.23CC..  trans-73.2164.5164.669.50000110.5E278 I281 H295 E296 I297E278-T293 HydrophobicContact CG-CG2 4.01Å; I281-T293 HydrophobicContact CD1-CG2 3.39Å; I281-T293 HydrophobicContact CG1-CG2 4.34Å; T293-H295 VanDerWaalsContact C-N 3.28Å; T293-H295 PolarHBondContact O-N 3.03Å; T293-E296 PolarHBondContact N-OE2 2.9Å; T293-E296 VanDerWaalsContact N-OE2 3.11Å; T293-E296 WeakPolarHBondContact O-CB 3.32Å; T293-E296 PolarHBondContact O-N 3.2Å; T293-E296 WeakPolarHBondContact OG1-CG 3.05Å; T293-E296 PolarHBondContact OG1-N 3.22Å; T293-I297 WeakPolarHBondContact O-CG1 3.46Å; T293-I297 PolarHBondContact O-N 2.85Å
294E89.3Confident89.1Confident75 Ų7543.1 Ų43.135%0.3522%0.216SC..Hα-helixtrans-51.5-48.1175.1178.2172.7-14000112K254 E296 I297 L298K254-E294 IonicContact NZ-OE1 2.8Å; E294-E296 VanDerWaalsContact C-N 3.33Å; E294-E296 PolarHBondContact O-N 2.88Å; E294-I297 WeakPolarHBondContact O-CB 3.32Å; E294-I297 PolarHBondContact O-N 3.13Å; E294-L298 WeakPolarHBondContact O-CG 3.33Å; E294-L298 PolarHBondContact O-N 2.79Å; E294-L298 VanDerWaalsContact O-N 3.1Å
295H88.2Confident89.7Confident64 Ų6436 Ų3630%0.29618%0.183SC..Hα-helixtrans-65.2-35.8179.2-173.6-95000112.5D116 Y247 T293 I297 L298 S299D116-H295 IonicContact OD2-CE1 2.78Å; D116-H295 IonicContact OD2-CG 3.62Å; D116-H295 IonicContact OD2-ND1 2.52Å; D116-H295 PolarHBondContact OD2-ND1 3.24Å; Y247-H295 AromaticContact CE2-NE2 3.66Å; T293-H295 VanDerWaalsContact C-N 3.28Å; T293-H295 PolarHBondContact O-N 3.03Å; H295-I297 VanDerWaalsContact C-N 3.34Å; H295-L298 PolarHBondContact O-N 2.77Å; H295-S299 WeakPolarHBondContact O-CB 3.46Å; H295-S299 PolarHBondContact O-N 2.89Å; H295-S299 PolarHBondContact O-OG 2.79Å
296E91.8Very high89.9Confident0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-65.8-36.2174.6-73.2175.8162.800112.3D116 R125 R128 I129 L292 T293 E294 S299 Q300D116-E296 HydrophobicContact CB-CG 4.03Å; R125-E296 IonicContact CZ-OE1 2.67Å; R125-E296 VanDerWaalsContact CZ-OE1 3.26Å; R125-E296 IonicContact NE-OE1 2.88Å; R125-E296 PolarHBondContact NE-OE1 2.86Å; R125-E296 IonicContact NH2-OE1 2.96Å; R125-E296 PolarHBondContact NH2-OE1 2.65Å; R128-E296 IonicContact CZ-OE1 2.66Å; R128-E296 IonicContact CZ-OE2 3.94Å; R128-E296 IonicContact NH2-OE1 3.41Å; R128-E296 PolarHBondContact NH2-OE1 3.12Å; R128-E296 IonicContact NH2-OE2 2.69Å; R128-E296 PolarHBondContact NH2-OE2 3.29Å; I129-E296 HydrophobicContact CD1-CG 4.1Å; L292-E296 WeakPolarHBondContact CA-OE2 3.19Å; L292-E296 HydrophobicContact CB-CB 4.15Å; L292-E296 HydrophobicContact CD2-CB 4.15Å; T293-E296 PolarHBondContact N-OE2 2.9Å; T293-E296 VanDerWaalsContact N-OE2 3.11Å; T293-E296 WeakPolarHBondContact O-CB 3.32Å; T293-E296 PolarHBondContact O-N 3.2Å; T293-E296 WeakPolarHBondContact OG1-CG 3.05Å; T293-E296 PolarHBondContact OG1-N 3.22Å; E294-E296 VanDerWaalsContact C-N 3.33Å; E294-E296 PolarHBondContact O-N 2.88Å; E296-S299 PolarHBondContact O-N 2.78Å; E296-Q300 WeakPolarHBondContact O-CG 3.48Å; E296-Q300 PolarHBondContact O-N 2.76Å; E296-Q300 PolarHBondContact O-NE2 2.77Å
297I91.4Very high90.1Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-61.8-49.9173.3-64.6172.2000110.1L268 M271 E275 L292 T293 E294 H295 S299 Q300 A301L268-I297 HydrophobicContact CD1-CG2 3.98Å; M271-I297 HydrophobicContact CB-CG1 4.16Å; M271-I297 HydrophobicContact CB-CG2 3.99Å; M271-I297 HydrophobicContact CE-CG2 4.43Å; M271-I297 HydrophobicContact SD-CG2 4.48Å; E275-I297 HydrophobicContact CB-CD1 3.92Å; E275-I297 HydrophobicContact CG-CD1 3.94Å; L292-I297 HydrophobicContact CB-CD1 4.35Å; L292-I297 HydrophobicContact CB-CG1 3.6Å; L292-I297 HydrophobicContact CD1-CG1 3.97Å; L292-I297 HydrophobicContact CG-CG1 4.44Å; T293-I297 WeakPolarHBondContact O-CG1 3.46Å; T293-I297 PolarHBondContact O-N 2.85Å; E294-I297 WeakPolarHBondContact O-CB 3.32Å; E294-I297 PolarHBondContact O-N 3.13Å; H295-I297 VanDerWaalsContact C-N 3.34Å; I297-S299 VanDerWaalsContact C-N 3.28Å; I297-S299 PolarHBondContact O-N 2.99Å; I297-Q300 PolarHBondContact O-N 2.88Å; I297-A301 VanDerWaalsContact O-CB 3.32Å; I297-A301 WeakPolarHBondContact O-CB 3.29Å; I297-A301 PolarHBondContact O-N 3.47Å
298L88.4Confident90.2Very high13 Ų1326.5 Ų26.57%0.06815%0.148CC..Hα-helixtrans-59.3-40.9177.9-61.1-179.3000111.8Y247 I250 K251 E294 H295 A301 L302Y247-L298 HydrophobicContact CD1-CB 4.41Å; Y247-L298 HydrophobicContact CD2-CD1 4.23Å; Y247-L298 HydrophobicContact CE1-CB 4.28Å; Y247-L298 HydrophobicContact CE2-CB 4.4Å; Y247-L298 HydrophobicContact CG-CB 4.5Å; Y247-L298 HydrophobicContact CG-CD1 4.44Å; I250-L298 HydrophobicContact CB-CD2 3.92Å; I250-L298 HydrophobicContact CG2-CD2 3.47Å; I250-L298 VanDerWaalsContact CG2-CD2 3.47Å; K251-L298 HydrophobicContact CB-CD2 4.32Å; E294-L298 WeakPolarHBondContact O-CG 3.33Å; E294-L298 PolarHBondContact O-N 2.79Å; E294-L298 VanDerWaalsContact O-N 3.1Å; H295-L298 PolarHBondContact O-N 2.77Å; L298-A301 WeakPolarHBondContact O-CB 3.36Å; L298-A301 PolarHBondContact O-N 2.82Å; L298-L302 PolarHBondContact O-N 2.86Å
299S89Confident90.2Very high0 Ų025.2 Ų25.20%014%0.139CC..Hα-helixtrans-68-39.8179.3-57.10000112.4P113 D116 Y247 H295 E296 I297 T303P113-S299 PolarHBondContact O-OG 2.93Å; P113-S299 VanDerWaalsContact O-OG 3.08Å; D116-S299 WeakPolarHBondContact CB-OG 3.45Å; Y247-S299 PolarHBondContact OH-OG 2.98Å; Y247-S299 VanDerWaalsContact OH-OG 3.13Å; H295-S299 WeakPolarHBondContact O-CB 3.46Å; H295-S299 PolarHBondContact O-N 2.89Å; H295-S299 PolarHBondContact O-OG 2.79Å; E296-S299 PolarHBondContact O-N 2.78Å; I297-S299 VanDerWaalsContact C-N 3.28Å; I297-S299 PolarHBondContact O-N 2.99Å; S299-T303 WeakPolarHBondContact O-CB 3.08Å; S299-T303 PolarHBondContact O-N 3.46Å; S299-T303 PolarHBondContact O-OG1 2.97Å
300Q91.6Very high90.3Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-67.2-42.1174.9-67.1-17.6-73.500111.2D116 V118 I129 I133 M271 L292 E296 I297 T303 F304D116-Q300 PolarHBondContact O-NE2 3.25Å; V118-Q300 VanDerWaalsContact CB-OE1 3.25Å; I129-Q300 HydrophobicContact CG2-CG 4.16Å; I133-Q300 HydrophobicContact CG2-CG 4.05Å; M271-Q300 HydrophobicContact SD-CB 3.62Å; M271-Q300 HydrophobicContact SD-CG 4.38Å; L292-Q300 HydrophobicContact CD1-CG 4.38Å; L292-Q300 HydrophobicContact CD2-CG 4.44Å; E296-Q300 WeakPolarHBondContact O-CG 3.48Å; E296-Q300 PolarHBondContact O-N 2.76Å; E296-Q300 PolarHBondContact O-NE2 2.77Å; I297-Q300 PolarHBondContact O-N 2.88Å; Q300-T303 CarbonylContact O-C 3.59Å; Q300-T303 WeakPolarHBondContact O-CB 3.4Å; Q300-T303 PolarHBondContact O-N 3.41Å; Q300-F304 WeakPolarHBondContact O-CD1 3.44Å; Q300-F304 WeakPolarHBondContact O-CG 3.39Å; Q300-F304 PolarHBondContact O-N 3.22Å
301A89.4Confident90.4Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-56.4-52.7176.300000111.3F188 I250 M271 I297 L298 T303 F304 I305F188-A301 HydrophobicContact CD1-CB 4.28Å; F188-A301 HydrophobicContact CE1-CB 3.21Å; F188-A301 VanDerWaalsContact CZ-CA 3.48Å; F188-A301 HydrophobicContact CZ-CB 3.51Å; F188-A301 WeakPolarHBondContact CZ-O 3.31Å; I250-A301 HydrophobicContact CD1-CB 3.71Å; I250-A301 HydrophobicContact CG1-CB 4.15Å; I250-A301 HydrophobicContact CG2-CB 3.61Å; M271-A301 HydrophobicContact CE-CB 4.37Å; I297-A301 VanDerWaalsContact O-CB 3.32Å; I297-A301 WeakPolarHBondContact O-CB 3.29Å; I297-A301 PolarHBondContact O-N 3.47Å; L298-A301 WeakPolarHBondContact O-CB 3.36Å; L298-A301 PolarHBondContact O-N 2.82Å; A301-T303 VanDerWaalsContact C-N 3.28Å; A301-T303 PolarHBondContact O-N 3.12Å; A301-F304 PolarHBondContact O-N 2.93Å; A301-F304 VanDerWaalsContact O-N 3.12Å; A301-I305 WeakPolarHBondContact O-CG1 3.45Å; A301-I305 PolarHBondContact O-N 3.02Å; A301-I305 VanDerWaalsContact O-N 3.11Å
302L86.8Confident90.6Very high1 Ų118.2 Ų18.21%0.00510%0.099CC..Hα-helixtrans-61.1-38.4176.7-174.655.7000112.2M114 L209 V243 F246 Y247 I250 L298 F304 I305 F306M114-L302 HydrophobicContact CG-CD2 4.36Å; M114-L302 HydrophobicContact SD-CB 4Å; M114-L302 HydrophobicContact SD-CD2 3.64Å; M114-L302 HydrophobicContact SD-CG 3.75Å; L209-L302 HydrophobicContact CD2-CD1 3.89Å; V243-L302 HydrophobicContact CG1-CD2 3.91Å; F246-L302 HydrophobicContact CB-CD1 3.78Å; F246-L302 HydrophobicContact CD1-CD1 4.35Å; F246-L302 HydrophobicContact CD2-CD1 4.04Å; F246-L302 HydrophobicContact CG-CD1 3.8Å; Y247-L302 HydrophobicContact CD1-CD2 4.27Å; Y247-L302 HydrophobicContact CE1-CB 4.19Å; Y247-L302 HydrophobicContact CE1-CD2 3.69Å; I250-L302 HydrophobicContact CD1-CB 4.33Å; L298-L302 PolarHBondContact O-N 2.86Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 3.09Å; L302-I305 PolarHBondContact O-N 3.34Å; L302-F306 PolarHBondContact O-N 3Å
303T89.2Confident90.6Very high13 Ų1318.2 Ų18.28%0.0810%0.099CC..Hα-helixtrans-61.7-39.8174.8-59.30000112.6M114 A117 V118 T119 S299 Q300 A301 G307M114-T303 WeakPolarHBondContact CE-OG1 3.17Å; A117-T303 WeakPolarHBondContact CB-OG1 3.34Å; V118-T303 HydrophobicContact CG1-CG2 4.46Å; T119-T303 HydrophobicContact CG2-CG2 4Å; S299-T303 WeakPolarHBondContact O-CB 3.08Å; S299-T303 PolarHBondContact O-N 3.46Å; S299-T303 PolarHBondContact O-OG1 2.97Å; Q300-T303 CarbonylContact O-C 3.59Å; Q300-T303 WeakPolarHBondContact O-CB 3.4Å; Q300-T303 PolarHBondContact O-N 3.41Å; A301-T303 VanDerWaalsContact C-N 3.28Å; A301-T303 PolarHBondContact O-N 3.12Å; T303-G307 PolarHBondContact O-N 2.76Å
304F91.6Very high90.7Very high16 Ų1618.4 Ų18.47%0.0710%0.1CC..Hα-helixtrans-67.2-42.9178.2-71.6-0.7000111.2I133 F137 V183 F267 M271 Q300 A301 L302 G307 G308 V445I133-F304 HydrophobicContact CB-CZ 4.08Å; I133-F304 HydrophobicContact CD1-CE1 4.05Å; I133-F304 HydrophobicContact CD1-CZ 4.06Å; I133-F304 HydrophobicContact CG2-CZ 4.29Å; F137-F304 HydrophobicContact CE2-CE1 4.09Å; F137-F304 HydrophobicContact CE2-CE2 4.13Å; F137-F304 AromaticContact CE2-CZ 3.67Å; F137-F304 HydrophobicContact CE2-CZ 3.67Å; F137-F304 HydrophobicContact CZ-CD1 4.45Å; F137-F304 HydrophobicContact CZ-CD2 4.37Å; F137-F304 HydrophobicContact CZ-CE1 4.07Å; F137-F304 AromaticContact CZ-CE2 3.98Å; F137-F304 HydrophobicContact CZ-CE2 3.98Å; F137-F304 AromaticContact CZ-CZ 3.83Å; F137-F304 HydrophobicContact CZ-CZ 3.83Å; V183-F304 WeakPolarHBondContact CG2-O 3.3Å; F267-F304 HydrophobicContact CB-CD2 4.4Å; F267-F304 HydrophobicContact CB-CE2 4.23Å; F267-F304 HydrophobicContact CD2-CD2 4.05Å; F267-F304 HydrophobicContact CD2-CE2 4.26Å; M271-F304 HydrophobicContact SD-CE2 4.33Å; Q300-F304 WeakPolarHBondContact O-CD1 3.44Å; Q300-F304 WeakPolarHBondContact O-CG 3.39Å; Q300-F304 PolarHBondContact O-N 3.22Å; A301-F304 PolarHBondContact O-N 2.93Å; A301-F304 VanDerWaalsContact O-N 3.12Å; L302-F304 VanDerWaalsContact C-N 3.34Å; L302-F304 PolarHBondContact O-N 3.09Å; F304-G307 PolarHBondContact O-N 2.82Å; F304-G308 PolarHBondContact O-N 3.49Å; F304-V445 HydrophobicContact CE1-CG1 4.44Å
305I88.9Confident91.2Very high5 Ų515 Ų153%0.0269%0.085CC..Hα-helixtrans-59-51.6175.3-57.5169.3000110.1L180 V183 T184 F188 M206 F246 I250 A301 L302 G307 G308 Y309L180-I305 HydrophobicContact CD1-CG2 3.8Å; V183-I305 HydrophobicContact CG1-CG2 4.36Å; T184-I305 HydrophobicContact CG2-CG1 4.36Å; T184-I305 HydrophobicContact CG2-CG2 4.36Å; F188-I305 HydrophobicContact CD2-CD1 4.37Å; F188-I305 HydrophobicContact CD2-CG1 4.39Å; F188-I305 HydrophobicContact CE2-CD1 3.61Å; F188-I305 HydrophobicContact CE2-CG1 3.37Å; F188-I305 HydrophobicContact CZ-CD1 4.2Å; F188-I305 HydrophobicContact CZ-CG1 3.97Å; M206-I305 HydrophobicContact CE-CB 4.2Å; M206-I305 HydrophobicContact CE-CG2 3.26Å; F246-I305 HydrophobicContact CD1-CD1 4.15Å; F246-I305 HydrophobicContact CE1-CD1 4.44Å; I250-I305 HydrophobicContact CD1-CD1 4.45Å; A301-I305 WeakPolarHBondContact O-CG1 3.45Å; A301-I305 PolarHBondContact O-N 3.02Å; A301-I305 VanDerWaalsContact O-N 3.11Å; L302-I305 PolarHBondContact O-N 3.34Å; I305-G307 VanDerWaalsContact C-N 3.35Å; I305-G307 PolarHBondContact O-N 2.94Å; I305-G308 PolarHBondContact O-N 3.16Å; I305-Y309 WeakPolarHBondContact O-CB 3Å; I305-Y309 PolarHBondContact O-N 3.26Å
306F86.4Confident91.6Very high56 Ų5612 Ų1225%0.2467%0.071CC..Hα-helixtrans-57.7-48179.1-179.4-84.9000111.8M210 F212 L302 E310M210-F306 HydrophobicContact CE-CD2 4.1Å; M210-F306 HydrophobicContact CE-CE2 3.31Å; M210-F306 HydrophobicContact CE-CZ 3.67Å; M210-F306 HydrophobicContact SD-CD2 3.37Å; M210-F306 WeakPolarHBondContact SD-CD2 3.24Å; M210-F306 HydrophobicContact SD-CE2 3.15Å; M210-F306 WeakPolarHBondContact SD-CE2 3.39Å; M210-F306 HydrophobicContact SD-CG 4.47Å; M210-F306 HydrophobicContact SD-CZ 4.09Å; F212-F306 HydrophobicContact CE2-CE2 4.3Å; F212-F306 HydrophobicContact CE2-CZ 4.42Å; F212-F306 HydrophobicContact CZ-CE2 4.09Å; F212-F306 HydrophobicContact CZ-CZ 4.4Å; L302-F306 PolarHBondContact O-N 3Å; F306-E310 PolarHBondContact O-N 3.39Å
307G89.4Confident91.9Very high27 Ų2712.1 Ų12.128%0.2787%0.071SC..Iπ-helixtrans-62.1-47.3179.600000112.4T303 F304 I305 T311T303-G307 PolarHBondContact O-N 2.76Å; F304-G307 PolarHBondContact O-N 2.82Å; I305-G307 VanDerWaalsContact C-N 3.35Å; I305-G307 PolarHBondContact O-N 2.94Å; G307-T311 WeakPolarHBondContact O-CB 3.46Å; G307-T311 PolarHBondContact O-OG1 3.05Å
308G91.3Very high92.3Very high9 Ų912.3 Ų12.39%0.0937%0.072CC..Iπ-helixtrans-77.1-23.3-177.400000114.5F304 I305 T312F304-G308 PolarHBondContact O-N 3.49Å; I305-G308 PolarHBondContact O-N 3.16Å; G308-T312 WeakPolarHBondContact O-CB 3.42Å; G308-T312 PolarHBondContact O-OG1 3.31Å
309Y90.9Very high92.7Very high11 Ų1111.8 Ų11.84%0.0437%0.069CC..Iπ-helixtrans-83.3-64.4178.6173.1-114.4000112.6A176 L180 H203 M206 M210 I305 S313A176-Y309 HydrophobicContact CB-CD2 4.48Å; A176-Y309 HydrophobicContact CB-CE2 3.64Å; A176-Y309 WeakPolarHBondContact O-CD2 3.2Å; A176-Y309 VanDerWaalsContact O-CE2 3.3Å; A176-Y309 WeakPolarHBondContact O-CE2 3.24Å; L180-Y309 HydrophobicContact CB-CD2 3.64Å; L180-Y309 HydrophobicContact CB-CE2 4.03Å; L180-Y309 HydrophobicContact CD1-CD2 4.24Å; L180-Y309 HydrophobicContact CD1-CG 4.43Å; L180-Y309 HydrophobicContact CG-CD2 4.39Å; H203-Y309 PolarHBondContact NE2-OH 3.38Å; M206-Y309 HydrophobicContact CG-CD1 3.45Å; M206-Y309 VanDerWaalsContact CG-CD1 3.45Å; M206-Y309 HydrophobicContact CG-CE1 3.48Å; M206-Y309 VanDerWaalsContact CG-CE1 3.48Å; M206-Y309 HydrophobicContact CG-CG 4.18Å; M206-Y309 HydrophobicContact SD-CD1 4.01Å; M210-Y309 HydrophobicContact CG-CE1 4.38Å; I305-Y309 WeakPolarHBondContact O-CB 3Å; I305-Y309 PolarHBondContact O-N 3.26Å; Y309-S313 VanDerWaalsContact O-CB 3.31Å; Y309-S313 WeakPolarHBondContact O-CB 3.35Å; Y309-S313 PolarHBondContact O-N 2.94Å; Y309-S313 PolarHBondContact O-OG 3.45Å
310E89.5Confident93.2Very high30 Ų3011.8 Ų11.814%0.147%0.069CC..Iπ-helixtrans-74.1-42.9-168.4178.969.7179.400111.7K172 M210 F306 S313 T314K172-E310 WeakPolarHBondContact CE-OE2 3.36Å; K172-E310 IonicContact NZ-OE1 2.66Å; K172-E310 PolarHBondContact NZ-OE1 2.91Å; K172-E310 IonicContact NZ-OE2 2.88Å; K172-E310 PolarHBondContact NZ-OE2 3.03Å; M210-E310 HydrophobicContact CE-CB 3.7Å; M210-E310 HydrophobicContact CE-CG 3.41Å; M210-E310 VanDerWaalsContact CE-CG 3.41Å; M210-E310 HydrophobicContact SD-CB 4.22Å; F306-E310 PolarHBondContact O-N 3.39Å; E310-S313 PolarHBondContact O-OG 2.94Å; E310-S313 VanDerWaalsContact O-OG 3.13Å; E310-T314 WeakPolarHBondContact O-CB 3.39Å; E310-T314 PolarHBondContact O-N 3.21Å; E310-T314 VanDerWaalsContact O-N 3.1Å; E310-T314 PolarHBondContact O-OG1 2.9Å
311T94.3Very high93.5Very high55 Ų5512.1 Ų12.134%0.3377%0.071SC..Iπ-helixtrans-73.8-39.4-174.575.60000112.1G307 T315 T371G307-T311 WeakPolarHBondContact O-CB 3.46Å; G307-T311 PolarHBondContact O-OG1 3.05Å; T311-T315 VanDerWaalsContact O-CB 3.25Å; T311-T315 WeakPolarHBondContact O-CB 3.48Å; T311-T315 PolarHBondContact O-N 3.29Å; T311-T315 PolarHBondContact O-OG1 3.47Å; T311-T371 HydrophobicContact CG2-CG2 4.43Å
312T96.7Very high93.9Very high3 Ų312.4 Ų12.42%0.0187%0.072CC..Hα-helixtrans-64-50.4176.9-50.20000110.7G308 T314 T315 L316 V453 M454G308-T312 WeakPolarHBondContact O-CB 3.42Å; G308-T312 PolarHBondContact O-OG1 3.31Å; T312-T314 PolarHBondContact O-N 3.42Å; T312-T315 PolarHBondContact O-N 2.87Å; T312-L316 HydrophobicContact CG2-CD1 4.01Å; T312-L316 WeakPolarHBondContact O-CB 3.25Å; T312-L316 WeakPolarHBondContact O-CG 3.36Å; T312-L316 PolarHBondContact O-N 3.37Å; T312-V453 HydrophobicContact CG2-CG1 4.06Å; T312-M454 HydrophobicContact CG2-CG 3.5Å; T312-M454 VanDerWaalsContact CG2-CG 3.5Å; T312-M454 HydrophobicContact CG2-SD 4.12Å
313S95.7Very high94.5Very high0 Ų012.3 Ų12.30%07%0.072CC..Hα-helixtrans-64.7-38.8-178.761.80000113Y309 E310 S317Y309-S313 VanDerWaalsContact O-CB 3.31Å; Y309-S313 WeakPolarHBondContact O-CB 3.35Å; Y309-S313 PolarHBondContact O-N 2.94Å; Y309-S313 PolarHBondContact O-OG 3.45Å; E310-S313 PolarHBondContact O-OG 2.94Å; E310-S313 VanDerWaalsContact O-OG 3.13Å; S313-S317 WeakPolarHBondContact O-CB 3.38Å; S313-S317 PolarHBondContact O-N 2.88Å; S313-S317 PolarHBondContact O-OG 2.92Å
314T96.1Very high94.9Very high8 Ų812 Ų125%0.0497%0.071CC..Hα-helixtrans-64.8-45.8174.4-61.30000111.1K172 E310 T312 S317 Y318 T371K172-T314 PolarHBondContact NZ-OG1 3.05Å; E310-T314 WeakPolarHBondContact O-CB 3.39Å; E310-T314 PolarHBondContact O-N 3.21Å; E310-T314 VanDerWaalsContact O-N 3.1Å; E310-T314 PolarHBondContact O-OG1 2.9Å; T312-T314 PolarHBondContact O-N 3.42Å; T314-S317 WeakPolarHBondContact O-CB 3.34Å; T314-S317 PolarHBondContact O-N 2.72Å; T314-Y318 HydrophobicContact CG2-CD2 4.04Å; T314-Y318 HydrophobicContact CG2-CE1 4.24Å; T314-Y318 HydrophobicContact CG2-CE2 3.34Å; T314-Y318 VanDerWaalsContact CG2-CZ 3.45Å; T314-Y318 WeakPolarHBondContact CG2-OH 3.37Å; T314-Y318 PolarHBondContact O-N 3.32Å; T314-T371 HydrophobicContact CG2-CG2 4.22Å
315T97.9Very high95.3Very high4 Ų413.2 Ų13.23%0.0258%0.08CC..Hα-helixtrans-65.3-41.9179.4-58.70000112.4T311 T312 S317 Y318 T319 F362 T371 M454T311-T315 VanDerWaalsContact O-CB 3.25Å; T311-T315 WeakPolarHBondContact O-CB 3.48Å; T311-T315 PolarHBondContact O-N 3.29Å; T311-T315 PolarHBondContact O-OG1 3.47Å; T312-T315 PolarHBondContact O-N 2.87Å; T315-S317 VanDerWaalsContact C-N 3.32Å; T315-S317 PolarHBondContact O-N 3.45Å; T315-Y318 PolarHBondContact O-N 2.73Å; T315-T319 WeakPolarHBondContact O-CB 3.37Å; T315-T319 PolarHBondContact O-N 3.09Å; T315-T319 PolarHBondContact O-OG1 2.91Å; T315-F362 HydrophobicContact CG2-CE2 3.95Å; T315-F362 HydrophobicContact CG2-CZ 4.06Å; T315-T371 PolarHBondContact OG1-OG1 3.45Å; T315-M454 WeakPolarHBondContact CB-SD 3.31Å; T315-M454 HydrophobicContact CG2-CE 3.98Å; T315-M454 HydrophobicContact CG2-SD 3.3Å; T315-M454 WeakPolarHBondContact CG2-SD 3.5Å
316L98.3Very high95.7Very high1 Ų114.4 Ų14.41%0.0059%0.086CC..Hα-helixtrans-58.9-45.3172.7-80.3164.7000111.1V175 T312 Y318 T319 L320 M454 L457 I458V175-L316 HydrophobicContact CB-CD1 4.25Å; V175-L316 HydrophobicContact CG2-CB 3.95Å; V175-L316 HydrophobicContact CG2-CD1 4.29Å; T312-L316 HydrophobicContact CG2-CD1 4.01Å; T312-L316 WeakPolarHBondContact O-CB 3.25Å; T312-L316 WeakPolarHBondContact O-CG 3.36Å; T312-L316 PolarHBondContact O-N 3.37Å; L316-Y318 VanDerWaalsContact C-N 3.34Å; L316-Y318 PolarHBondContact O-N 3.02Å; L316-T319 PolarHBondContact O-N 2.73Å; L316-L320 WeakPolarHBondContact O-CB 3.4Å; L316-L320 WeakPolarHBondContact O-CG 3.38Å; L316-L320 PolarHBondContact O-N 3.39Å; L316-M454 HydrophobicContact CD1-CG 4.26Å; L316-M454 HydrophobicContact CD2-CB 3.92Å; L316-M454 HydrophobicContact CD2-CG 4.11Å; L316-M454 HydrophobicContact CG-CB 4.22Å; L316-M454 HydrophobicContact CG-CG 3.83Å; L316-M454 HydrophobicContact CG-SD 4.39Å; L316-L457 HydrophobicContact CD1-CD2 3.58Å; L316-L457 HydrophobicContact CD2-CB 4.27Å; L316-L457 HydrophobicContact CD2-CD2 4.05Å; L316-L457 HydrophobicContact CG-CD2 4.4Å; L316-I458 HydrophobicContact CD2-CD1 4.2Å; L316-I458 HydrophobicContact CD2-CG1 3.86Å
317S97.9Very high96.3Very high2 Ų214.7 Ų14.71%0.0149%0.094CC..Hα-helixtrans-59.7-43.8179-58.10000112.1K172 S313 T314 T315 H321K172-S317 VanDerWaalsContact CA-OG 3.3Å; K172-S317 WeakPolarHBondContact CA-OG 3.15Å; K172-S317 PolarHBondContact N-OG 3.27Å; S313-S317 WeakPolarHBondContact O-CB 3.38Å; S313-S317 PolarHBondContact O-N 2.88Å; S313-S317 PolarHBondContact O-OG 2.92Å; T314-S317 WeakPolarHBondContact O-CB 3.34Å; T314-S317 PolarHBondContact O-N 2.72Å; T315-S317 VanDerWaalsContact C-N 3.32Å; T315-S317 PolarHBondContact O-N 3.45Å; S317-H321 WeakPolarHBondContact O-CB 3.34Å; S317-H321 PolarHBondContact O-N 3.4Å
318Y98Very high96.7Very high5 Ų518.1 Ų18.12%0.0210%0.102CC..Hα-helixtrans-70-38.6177.5-60.7-20.5000112.5T314 T315 L316 H321 N322 I369 I477 F479 P485 V489T314-Y318 HydrophobicContact CG2-CD2 4.04Å; T314-Y318 HydrophobicContact CG2-CE1 4.24Å; T314-Y318 HydrophobicContact CG2-CE2 3.34Å; T314-Y318 VanDerWaalsContact CG2-CZ 3.45Å; T314-Y318 WeakPolarHBondContact CG2-OH 3.37Å; T314-Y318 PolarHBondContact O-N 3.32Å; T315-Y318 PolarHBondContact O-N 2.73Å; L316-Y318 VanDerWaalsContact C-N 3.34Å; L316-Y318 PolarHBondContact O-N 3.02Å; Y318-H321 PolarHBondContact O-N 3.35Å; Y318-N322 WeakPolarHBondContact O-CB 3.48Å; Y318-N322 VanDerWaalsContact O-CG 3.31Å; Y318-N322 PolarHBondContact O-N 2.9Å; Y318-N322 PolarHBondContact O-ND2 2.9Å; Y318-I369 HydrophobicContact CD1-CG2 4.38Å; Y318-I369 HydrophobicContact CD2-CB 4.08Å; Y318-I369 HydrophobicContact CD2-CG2 3.38Å; Y318-I369 HydrophobicContact CE2-CG2 3.62Å; Y318-I369 HydrophobicContact CG-CB 4.29Å; Y318-I369 HydrophobicContact CG-CG2 3.81Å; Y318-I477 HydrophobicContact CD1-CD1 3.91Å; Y318-I477 HydrophobicContact CE1-CD1 4.24Å; Y318-F479 HydrophobicContact CE1-CE1 4.3Å; Y318-F479 AromaticContact CZ-CE1 3.88Å; Y318-P485 HydrophobicContact CE1-CG 3.87Å; Y318-P485 WeakPolarHBondContact OH-CD 3.3Å; Y318-P485 WeakPolarHBondContact OH-CG 3.19Å; Y318-V489 HydrophobicContact CD1-CG2 4.42Å; Y318-V489 HydrophobicContact CE1-CG2 4.32Å
319T98.5Very high97Very high1 Ų118 Ų181%0.00610%0.1CC..Hα-helixtrans-65.5-43.8176.8-58.40000112.3T315 L316 H321 N322 L323 S365 I458T315-T319 WeakPolarHBondContact O-CB 3.37Å; T315-T319 PolarHBondContact O-N 3.09Å; T315-T319 PolarHBondContact O-OG1 2.91Å; L316-T319 PolarHBondContact O-N 2.73Å; T319-H321 VanDerWaalsContact C-N 3.32Å; T319-H321 PolarHBondContact O-N 2.96Å; T319-N322 PolarHBondContact O-N 3.28Å; T319-L323 HydrophobicContact CG2-CD1 4.4Å; T319-L323 WeakPolarHBondContact O-CG 3.42Å; T319-L323 PolarHBondContact O-N 3.34Å; T319-S365 WeakPolarHBondContact CA-OG 3.18Å; T319-S365 WeakPolarHBondContact CB-OG 3.24Å; T319-S365 PolarHBondContact N-OG 2.92Å; T319-S365 WeakPolarHBondContact OG1-CB 3.18Å; T319-S365 PolarHBondContact OG1-OG 2.9Å; T319-I458 HydrophobicContact CG2-CD1 3.7Å
320L98.6Very high97.4Very high0 Ų017.9 Ų17.90%010%0.1CC..Hα-helixtrans-65.6-35.8175.5-66.1174.8000111.9V171 V175 L316 L323 A324 I461 V467 L491 F493V171-L320 HydrophobicContact CG1-CB 4.38Å; V171-L320 HydrophobicContact CG1-CD1 3.7Å; V175-L320 HydrophobicContact CG1-CD1 4.44Å; L316-L320 WeakPolarHBondContact O-CB 3.4Å; L316-L320 WeakPolarHBondContact O-CG 3.38Å; L316-L320 PolarHBondContact O-N 3.39Å; L320-L323 PolarHBondContact O-N 2.89Å; L320-A324 WeakPolarHBondContact O-CB 3.44Å; L320-A324 PolarHBondContact O-N 2.89Å; L320-I461 HydrophobicContact CD1-CD1 4.14Å; L320-I461 HydrophobicContact CD2-CD1 4.49Å; L320-V467 HydrophobicContact CD2-CG2 4.27Å; L320-L491 HydrophobicContact CB-CD1 4Å; L320-F493 HydrophobicContact CD1-CZ 4.35Å
321H98.5Very high97.8Very high7 Ų721.6 Ų21.63%0.03212%0.117CC..Hα-helixtrans-65.4-45173.5174.5-89000112.6S317 Y318 T319 L323 A324 T325 M474 I477 V489 L491S317-H321 WeakPolarHBondContact O-CB 3.34Å; S317-H321 PolarHBondContact O-N 3.4Å; Y318-H321 PolarHBondContact O-N 3.35Å; T319-H321 VanDerWaalsContact C-N 3.32Å; T319-H321 PolarHBondContact O-N 2.96Å; H321-L323 VanDerWaalsContact C-N 3.32Å; H321-L323 PolarHBondContact O-N 3.5Å; H321-A324 PolarHBondContact O-N 3.43Å; H321-T325 WeakPolarHBondContact O-CG2 3.35Å; H321-T325 PolarHBondContact O-N 3.35Å; H321-T325 PolarHBondContact O-OG1 3.43Å; H321-M474 PolarHBondContact NE2-O 2.72Å; H321-I477 HydrophobicContact CB-CD1 4.31Å; H321-I477 VanDerWaalsContact CE1-CG1 3.5Å; H321-I477 WeakPolarHBondContact CE1-CG1 3.48Å; H321-V489 HydrophobicContact CB-CG1 3.84Å; H321-L491 HydrophobicContact CB-CD1 4.44Å
322N98.4Very high98Very high6 Ų622.7 Ų22.73%0.03212%0.12CC..Hα-helixtrans-60.6-41.7175.1-76.1-35.9000111.2Y318 T319 T325 N326 S365 F416Y318-N322 WeakPolarHBondContact O-CB 3.48Å; Y318-N322 VanDerWaalsContact O-CG 3.31Å; Y318-N322 PolarHBondContact O-N 2.9Å; Y318-N322 PolarHBondContact O-ND2 2.9Å; T319-N322 PolarHBondContact O-N 3.28Å; N322-T325 PolarHBondContact O-N 3.47Å; N322-T325 PolarHBondContact O-OG1 2.95Å; N322-N326 WeakPolarHBondContact O-CB 3.29Å; N322-N326 PolarHBondContact O-N 3.02Å; N322-N326 PolarHBondContact O-ND2 3.37Å; N322-S365 WeakPolarHBondContact ND2-CA 3.48Å; N322-S365 PolarHBondContact ND2-OG 3.42Å; N322-F416 HydrophobicContact CB-CD2 3.9Å; N322-F416 HydrophobicContact CB-CE2 3.49Å; N322-F416 VanDerWaalsContact CB-CE2 3.49Å; N322-F416 HydrophobicContact CB-CZ 4.09Å
323L98.6Very high98.1Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-64-46.3174.5-76.1171.8000112.6T319 L320 H321 T325 N326 V329 M330 L333 V361 I458 L462T319-L323 HydrophobicContact CG2-CD1 4.4Å; T319-L323 WeakPolarHBondContact O-CG 3.42Å; T319-L323 PolarHBondContact O-N 3.34Å; L320-L323 PolarHBondContact O-N 2.89Å; H321-L323 VanDerWaalsContact C-N 3.32Å; H321-L323 PolarHBondContact O-N 3.5Å; L323-T325 PolarHBondContact O-N 2.95Å; L323-N326 CarbonylContact O-C 3.59Å; L323-N326 PolarHBondContact O-N 3.18Å; L323-N326 VanDerWaalsContact O-N 3.08Å; L323-V329 HydrophobicContact CD2-CG1 4.4Å; L323-M330 HydrophobicContact CB-CB 4.42Å; L323-M330 HydrophobicContact CD2-CB 4.04Å; L323-L333 HydrophobicContact CD1-CD2 4.35Å; L323-L333 HydrophobicContact CD2-CD2 4.16Å; L323-V361 HydrophobicContact CD2-CG1 3.74Å; L323-V361 HydrophobicContact CG-CG1 4.23Å; L323-I458 HydrophobicContact CD1-CG2 4.43Å; L323-L462 HydrophobicContact CD1-CD1 4.03Å
324A98.4Very high98.2Very high7 Ų723.1 Ų23.16%0.05812%0.122CC..Hα-helixtrans-64.3-29.5-179.200000113.2L320 H321 V467 T469 L491L320-A324 WeakPolarHBondContact O-CB 3.44Å; L320-A324 PolarHBondContact O-N 2.89Å; H321-A324 PolarHBondContact O-N 3.43Å; A324-V467 WeakPolarHBondContact CA-O 3.45Å; A324-V467 HydrophobicContact CB-CB 4.45Å; A324-V467 HydrophobicContact CB-CG1 4.07Å; A324-V467 WeakPolarHBondContact CB-O 3.22Å; A324-T469 HydrophobicContact CB-CG2 4.38Å; A324-T469 WeakPolarHBondContact O-CG2 3.3Å; A324-L491 HydrophobicContact CB-CD1 4.11Å; A324-L491 HydrophobicContact CB-CD2 3.67Å; A324-L491 HydrophobicContact CB-CG 4.48Å
325T98.2Very high98.3Very high41 Ų4129.8 Ų29.825%0.25215%0.15SC..Hα-helixtrans-87.2-6.1176.652.40000113.7H321 N322 L323 T469 V475H321-T325 WeakPolarHBondContact O-CG2 3.35Å; H321-T325 PolarHBondContact O-N 3.35Å; H321-T325 PolarHBondContact O-OG1 3.43Å; N322-T325 PolarHBondContact O-N 3.47Å; N322-T325 PolarHBondContact O-OG1 2.95Å; L323-T325 PolarHBondContact O-N 2.95Å; T325-T469 HydrophobicContact CG2-CG2 3.85Å; T325-V475 HydrophobicContact CG2-CG1 4.11Å; T325-V475 HydrophobicContact CG2-CG2 3.69Å
326N98.4Very high98.3Very high30 Ų3031.3 Ų31.316%0.1616%0.157CC..  trans-133.767.3177.4-59.3-88.6000109.4N322 L323 E328 V329 M330 F416N322-N326 WeakPolarHBondContact O-CB 3.29Å; N322-N326 PolarHBondContact O-N 3.02Å; N322-N326 PolarHBondContact O-ND2 3.37Å; L323-N326 CarbonylContact O-C 3.59Å; L323-N326 PolarHBondContact O-N 3.18Å; L323-N326 VanDerWaalsContact O-N 3.08Å; N326-E328 PolarHBondContact O-N 3.46Å; N326-V329 HydrophobicContact CB-CB 4.23Å; N326-V329 HydrophobicContact CB-CG2 4.23Å; N326-V329 WeakPolarHBondContact O-CB 3.2Å; N326-V329 PolarHBondContact O-N 2.84Å; N326-M330 PolarHBondContact O-N 3.33Å; N326-F416 HydrophobicContact CB-CD1 4.28Å; N326-F416 WeakPolarHBondContact OD1-CB 3.27Å
327P98Very high98.2Very high62 Ų6231.3 Ų31.340%0.40316%0.157SC..Hα-helixtrans-60.8-30.2-171.424.6-35.1000113.7V329 M330 Q331P327-V329 VanDerWaalsContact C-N 3.33Å; P327-V329 PolarHBondContact O-N 3.34Å; P327-M330 PolarHBondContact O-N 3.13Å; P327-Q331 WeakPolarHBondContact O-CG 3.13Å; P327-Q331 PolarHBondContact O-N 2.97Å
328E98.3Very high98.1Very high98 Ų9833.9 Ų33.946%0.45817%0.17SC..Hα-helixtrans-61.5-40.9174.567.6-67.416200112.1N326 Q331 I332N326-E328 PolarHBondContact O-N 3.46Å; E328-Q331 PolarHBondContact O-N 3.11Å; E328-I332 WeakPolarHBondContact O-CG1 3.12Å; E328-I332 PolarHBondContact O-N 3.12Å; E328-I332 VanDerWaalsContact O-N 3.16Å
329V98.7Very high97.9Very high8 Ų836.9 Ų36.95%0.04820%0.203CC..Hα-helixtrans-68.5-42.3175.7172.10000110.6L323 N326 P327 Q331 I332 L333 Y357 V361 F416 P418L323-V329 HydrophobicContact CD2-CG1 4.4Å; N326-V329 HydrophobicContact CB-CB 4.23Å; N326-V329 HydrophobicContact CB-CG2 4.23Å; N326-V329 WeakPolarHBondContact O-CB 3.2Å; N326-V329 PolarHBondContact O-N 2.84Å; P327-V329 VanDerWaalsContact C-N 3.33Å; P327-V329 PolarHBondContact O-N 3.34Å; V329-Q331 VanDerWaalsContact C-N 3.28Å; V329-Q331 PolarHBondContact O-N 3.28Å; V329-I332 PolarHBondContact O-N 2.91Å; V329-L333 PolarHBondContact O-N 3.31Å; V329-Y357 HydrophobicContact CG1-CE1 4.04Å; V329-V361 HydrophobicContact CG1-CG2 3.71Å; V329-F416 HydrophobicContact CG1-CD1 4.34Å; V329-F416 HydrophobicContact CG1-CE1 3.91Å; V329-F416 HydrophobicContact CG2-CD1 4.24Å; V329-P418 HydrophobicContact CG1-CG 3.54Å; V329-P418 HydrophobicContact CG2-CG 4.22Å
330M98.6Very high97.7Very high8 Ų840.2 Ų40.24%0.03923%0.226CC..Hα-helixtrans-59.3-40.1175.7-177.8174.868.900111.7L323 N326 P327 L333 Q334 L462 V467L323-M330 HydrophobicContact CB-CB 4.42Å; L323-M330 HydrophobicContact CD2-CB 4.04Å; N326-M330 PolarHBondContact O-N 3.33Å; P327-M330 PolarHBondContact O-N 3.13Å; M330-L333 PolarHBondContact O-N 3.49Å; M330-Q334 HydrophobicContact CG-CG 4.45Å; M330-Q334 WeakPolarHBondContact O-CB 3.23Å; M330-Q334 VanDerWaalsContact O-CG 3.29Å; M330-Q334 WeakPolarHBondContact O-CG 3.44Å; M330-Q334 PolarHBondContact O-N 3.14Å; M330-L462 HydrophobicContact CG-CD2 3.98Å; M330-L462 HydrophobicContact SD-CD2 3.99Å; M330-V467 WeakPolarHBondContact CE-O 3.4Å; M330-V467 HydrophobicContact SD-CB 4.4Å; M330-V467 PolarHBondContact SD-N 3.19Å
331Q98.2Very high97.5Very high108 Ų10840.8 Ų40.851%0.50523%0.229SC..Hα-helixtrans-65.5-38.8176.5-74175.24.500112.7P327 E328 V329 Q334 K335P327-Q331 WeakPolarHBondContact O-CG 3.13Å; P327-Q331 PolarHBondContact O-N 2.97Å; E328-Q331 PolarHBondContact O-N 3.11Å; V329-Q331 VanDerWaalsContact C-N 3.28Å; V329-Q331 PolarHBondContact O-N 3.28Å; Q331-Q334 PolarHBondContact O-N 2.97Å; Q331-K335 WeakPolarHBondContact O-CG 3.12Å; Q331-K335 PolarHBondContact O-N 2.71Å
332I98.5Very high96.8Very high77 Ų7748.7 Ų48.740%0.39526%0.263SS..Hα-helixtrans-64-45.3174.9-63.7164.4000109.9E328 V329 Q334 K335 E336 Y357E328-I332 WeakPolarHBondContact O-CG1 3.12Å; E328-I332 PolarHBondContact O-N 3.12Å; E328-I332 VanDerWaalsContact O-N 3.16Å; V329-I332 PolarHBondContact O-N 2.91Å; I332-Q334 PolarHBondContact O-N 3.35Å; I332-K335 WeakPolarHBondContact O-CB 3.48Å; I332-K335 PolarHBondContact O-N 3.01Å; I332-E336 PolarHBondContact O-N 2.52Å; I332-Y357 HydrophobicContact CB-CD1 4.29Å; I332-Y357 HydrophobicContact CB-CE1 3.64Å; I332-Y357 HydrophobicContact CG2-CD1 3.7Å; I332-Y357 HydrophobicContact CG2-CD2 4.37Å; I332-Y357 HydrophobicContact CG2-CE1 3.38Å; I332-Y357 HydrophobicContact CG2-CE2 4.11Å; I332-Y357 HydrophobicContact CG2-CG 4.18Å
333L98.6Very high95.9Very high0 Ų053.9 Ų53.90%029%0.285CS..Hα-helixtrans-62.8-42.5177178.456.4000112.3L323 V329 M330 K335 E336 I337 Y357 L358 V361 I458 L462L323-L333 HydrophobicContact CD1-CD2 4.35Å; L323-L333 HydrophobicContact CD2-CD2 4.16Å; V329-L333 PolarHBondContact O-N 3.31Å; M330-L333 PolarHBondContact O-N 3.49Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 3.14Å; L333-E336 PolarHBondContact O-N 3.05Å; L333-I337 HydrophobicContact CD1-CD1 4.03Å; L333-I337 HydrophobicContact CD1-CG1 4.24Å; L333-I337 HydrophobicContact CG-CD1 3.91Å; L333-I337 VanDerWaalsContact O-CG1 3.3Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.26Å; L333-Y357 HydrophobicContact CB-CD1 4Å; L333-Y357 HydrophobicContact CB-CE1 4.33Å; L333-Y357 HydrophobicContact CD1-CD1 4.42Å; L333-L358 HydrophobicContact CD1-CB 3.73Å; L333-L358 HydrophobicContact CD1-CD1 4.07Å; L333-L358 HydrophobicContact CD1-CG 4.48Å; L333-L358 HydrophobicContact CD2-CD1 4.01Å; L333-V361 HydrophobicContact CD2-CB 4.35Å; L333-V361 HydrophobicContact CD2-CG1 4.1Å; L333-V361 HydrophobicContact CD2-CG2 4.26Å; L333-I458 HydrophobicContact CD2-CG2 4.47Å; L333-L462 HydrophobicContact CD2-CD1 3.43Å; L333-L462 VanDerWaalsContact CD2-CD1 3.43Å; L333-L462 HydrophobicContact CG-CD1 3.86Å
334Q98Very high94.7Very high12 Ų1261.4 Ų61.46%0.05633%0.326CS..Hα-helixtrans-60-41.3174.6-77.5172.5-16.400111.6M330 Q331 I332 I337 D338 L462 S466M330-Q334 HydrophobicContact CG-CG 4.45Å; M330-Q334 WeakPolarHBondContact O-CB 3.23Å; M330-Q334 VanDerWaalsContact O-CG 3.29Å; M330-Q334 WeakPolarHBondContact O-CG 3.44Å; M330-Q334 PolarHBondContact O-N 3.14Å; Q331-Q334 PolarHBondContact O-N 2.97Å; I332-Q334 PolarHBondContact O-N 3.35Å; Q334-I337 PolarHBondContact O-N 3.17Å; Q334-D338 WeakPolarHBondContact O-CB 3.35Å; Q334-D338 PolarHBondContact O-N 3.04Å; Q334-L462 HydrophobicContact CG-CB 4.23Å; Q334-S466 PolarHBondContact NE2-OG 3.48Å
335K97.6Very high94Very high148 Ų14863 Ų6364%0.64334%0.339SS*.Hα-helixtrans-63.8-40.5175.6-74172.6-178.1175.70112.7Q331 I332 L333 G339Q331-K335 WeakPolarHBondContact O-CG 3.12Å; Q331-K335 PolarHBondContact O-N 2.71Å; I332-K335 WeakPolarHBondContact O-CB 3.48Å; I332-K335 PolarHBondContact O-N 3.01Å; L333-K335 VanDerWaalsContact C-N 3.31Å; L333-K335 PolarHBondContact O-N 3.14Å; K335-G339 PolarHBondContact O-N 2.86Å
336E98Very high93.5Very high37 Ų3766.6 Ų66.617%0.17336%0.363CS..Hα-helixtrans-60.3-51173.1179.8-177-116.700110.6I332 L333 D338 G339 C340 L355 E356 Y357 L358I332-E336 PolarHBondContact O-N 2.52Å; L333-E336 PolarHBondContact O-N 3.05Å; E336-D338 PolarHBondContact O-N 3.39Å; E336-G339 PolarHBondContact O-N 3.21Å; E336-C340 WeakPolarHBondContact O-CB 3.42Å; E336-C340 PolarHBondContact O-N 3.36Å; E336-C340 PolarHBondContact O-SG 2.84Å; E336-L355 HydrophobicContact CG-CD2 3.99Å; E336-E356 PolarHBondContact OE1-N 2.87Å; E336-E356 VanDerWaalsContact OE1-N 3.07Å; E336-Y357 VanDerWaalsContact CD-CB 3.45Å; E336-Y357 VanDerWaalsContact OE1-CB 3.29Å; E336-Y357 WeakPolarHBondContact OE1-CB 3.49Å; E336-Y357 PolarHBondContact OE1-N 3.42Å; E336-Y357 WeakPolarHBondContact OE2-CB 3.33Å; E336-Y357 PolarHBondContact OE2-N 3.45Å; E336-L358 PolarHBondContact OE2-N 3.28Å
337I97.1Very high93.2Very high0 Ų066 Ų660%036%0.359CS..Hα-helixtrans-56.7-48.9179.8-72.3167.8000111L333 Q334 G339 L341 L355 V459 L462 Q463L333-I337 HydrophobicContact CD1-CD1 4.03Å; L333-I337 HydrophobicContact CD1-CG1 4.24Å; L333-I337 HydrophobicContact CG-CD1 3.91Å; L333-I337 VanDerWaalsContact O-CG1 3.3Å; L333-I337 WeakPolarHBondContact O-CG1 3.4Å; L333-I337 PolarHBondContact O-N 3.26Å; Q334-I337 PolarHBondContact O-N 3.17Å; I337-G339 VanDerWaalsContact C-N 3.32Å; I337-G339 PolarHBondContact O-N 3.35Å; I337-L341 HydrophobicContact CG2-CD1 4.23Å; I337-L341 VanDerWaalsContact O-CB 3.25Å; I337-L341 WeakPolarHBondContact O-CB 3.43Å; I337-L341 WeakPolarHBondContact O-CG 3.36Å; I337-L341 PolarHBondContact O-N 2.85Å; I337-L355 HydrophobicContact CG1-CD1 4.4Å; I337-V459 HydrophobicContact CD1-CG2 4.18Å; I337-V459 HydrophobicContact CG1-CG2 4.35Å; I337-V459 HydrophobicContact CG2-CG1 4.14Å; I337-L462 HydrophobicContact CD1-CB 3.85Å; I337-L462 HydrophobicContact CD1-CD1 4.05Å; I337-Q463 HydrophobicContact CG2-CG 3.45Å; I337-Q463 VanDerWaalsContact CG2-CG 3.45Å
338D94.9Very high93.1Very high56 Ų5665 Ų6530%0.29935%0.354SS..Hα-helixtrans-69.6-30-178.2-62.9-20.9000112.6Q334 E336 R496Q334-D338 WeakPolarHBondContact O-CB 3.35Å; Q334-D338 PolarHBondContact O-N 3.04Å; E336-D338 PolarHBondContact O-N 3.39Å; D338-R496 IonicContact OD1-CZ 3.47Å; D338-R496 IonicContact OD1-NH1 3.36Å; D338-R496 PolarHBondContact OD1-NH1 3.45Å; D338-R496 IonicContact OD1-NH2 2.67Å; D338-R496 IonicContact OD2-CZ 3Å; D338-R496 IonicContact OD2-NH1 2.66Å; D338-R496 PolarHBondContact OD2-NH1 3.29Å; D338-R496 IonicContact OD2-NH2 3.64Å; D338-R496 PolarHBondContact OD2-NH2 3.37Å
339G94.8Very high92.9Very high69 Ų6961.9 Ų61.971%0.71134%0.338SS*.Hα-helixtrans-79.3-35.5179.200000113.5K335 E336 I337K335-G339 PolarHBondContact O-N 2.86Å; E336-G339 PolarHBondContact O-N 3.21Å; I337-G339 VanDerWaalsContact C-N 3.32Å; I337-G339 PolarHBondContact O-N 3.35Å
340C94.3Very high92.7Very high70 Ų7066.4 Ų66.447%0.47336%0.359SS..Hα-helixtrans-89.6-32.2-178.1-68.30000112.9E336 L355E336-C340 WeakPolarHBondContact O-CB 3.42Å; E336-C340 PolarHBondContact O-N 3.36Å; E336-C340 PolarHBondContact O-SG 2.84Å; C340-L355 HydrophobicContact CB-CD2 3.73Å
341L93.4Very high92.5Very high12 Ų1268.8 Ų68.86%0.06337%0.372CS..SBendtrans-108.5133.3-173.4-50.9-174.2000111.6I337 K343 I347 D351 L355 V459I337-L341 HydrophobicContact CG2-CD1 4.23Å; I337-L341 VanDerWaalsContact O-CB 3.25Å; I337-L341 WeakPolarHBondContact O-CB 3.43Å; I337-L341 WeakPolarHBondContact O-CG 3.36Å; I337-L341 PolarHBondContact O-N 2.85Å; L341-K343 PolarHBondContact O-N 3.01Å; L341-I347 HydrophobicContact CD1-CD1 4.12Å; L341-I347 HydrophobicContact CD1-CG1 4.2Å; L341-I347 HydrophobicContact CD1-CG2 4.48Å; L341-D351 HydrophobicContact CD2-CB 3.63Å; L341-L355 HydrophobicContact CD1-CD1 4.3Å; L341-L355 HydrophobicContact CG-CD2 4.44Å; L341-V459 HydrophobicContact CD1-CG1 3.5Å
342K84.6Confident92.4Very high173 Ų17363.7 Ų63.775%0.75235%0.348SS*.  trans-69.3130.7173.8-67.9180-177.2176.60110.2N344 A345K342-N344 PolarHBondContact O-N 3.43Å; K342-A345 HydrophobicContact CB-CB 3.72Å; K342-A345 PolarHBondContact O-N 3.25Å
343K77.9Confident92.2Very high116 Ų11663.2 Ų63.250%0.50435%0.346SS..THydrogen-bonded Turntrans-53.5130.8172.7-71.1-176.3175179.80110.2L341 A345 L498L341-K343 PolarHBondContact O-N 3.01Å; K343-A345 PolarHBondContact O-N 2.84Å; K343-A345 VanDerWaalsContact O-N 3.15Å; K343-L498 PolarHBondContact NZ-OXT 2.74Å
344N74.7Confident92.1Very high158 Ų15866.1 Ų66.185%0.84537%0.366SS*.THydrogen-bonded Turntrans59.816.3177.8-53.9-41.8000116K342K342-N344 PolarHBondContact O-N 3.43Å
345A83.1Confident92Very high41 Ų4165.5 Ų65.534%0.33936%0.364SS..SBendtrans-93.5148.9170.400000110.6K342 K343 I347K342-A345 HydrophobicContact CB-CB 3.72Å; K342-A345 PolarHBondContact O-N 3.25Å; K343-A345 PolarHBondContact O-N 2.84Å; K343-A345 VanDerWaalsContact O-N 3.15Å; A345-I347 PolarHBondContact O-N 3.14Å
346P87Confident92Very high116 Ų11663 Ų6375%0.75335%0.354SS*.PPolyproline II helixtrans-57.4130.9169.1-22.633.3000110.8
347I93.7Very high92.1Very high16 Ų1662.2 Ų62.28%0.08235%0.35CS..PPolyproline II helixtrans-77.3122.3176.5-58.3170.7000107.8F146 L341 A345 D351 L352 M456 V459F146-I347 WeakPolarHBondContact CE1-O 3.22Å; F146-I347 WeakPolarHBondContact CZ-O 3.46Å; L341-I347 HydrophobicContact CD1-CD1 4.12Å; L341-I347 HydrophobicContact CD1-CG1 4.2Å; L341-I347 HydrophobicContact CD1-CG2 4.48Å; A345-I347 PolarHBondContact O-N 3.14Å; I347-D351 HydrophobicContact CG2-CB 4.13Å; I347-L352 HydrophobicContact CG2-CB 4.11Å; I347-M456 HydrophobicContact CB-CE 4.3Å; I347-M456 HydrophobicContact CB-SD 4.47Å; I347-M456 HydrophobicContact CD1-SD 4.03Å; I347-M456 HydrophobicContact CG2-CE 4.26Å; I347-V459 HydrophobicContact CD1-CG1 3.66Å
348S94.1Very high92.1Very high42 Ų4262.2 Ų62.229%0.29435%0.35SS..PPolyproline II helixtrans-80.8166.1174.275.20000112.4F146 E350 D351 L352F146-S348 VanDerWaalsContact CE1-C 3.47Å; F146-S348 WeakPolarHBondContact CZ-O 3.42Å; S348-E350 VanDerWaalsContact C-N 3.27Å; S348-E350 PolarHBondContact O-N 2.96Å; S348-D351 VanDerWaalsContact CB-OD2 3.26Å; S348-D351 WeakPolarHBondContact CB-OD2 3.34Å; S348-D351 PolarHBondContact N-OD2 3.43Å; S348-D351 PolarHBondContact O-N 3.36Å; S348-D351 WeakPolarHBondContact OG-CB 3.35Å; S348-D351 PolarHBondContact OG-N 3.36Å; S348-D351 VanDerWaalsContact OG-N 3.09Å; S348-D351 PolarHBondContact OG-OD1 2.99Å; S348-D351 PolarHBondContact OG-OD2 2.93Å; S348-L352 PolarHBondContact O-N 3.3Å; S348-L352 VanDerWaalsContact O-N 3.13Å
349Y94.6Very high92.3Very high32 Ų3262.3 Ų62.313%0.12535%0.35CS..Hα-helixtrans-62.4-39.5176.7177.6-86.6000110.9L142 K143 F146 N353 L452L142-Y349 HydrophobicContact CB-CE2 4.35Å; K143-Y349 HydrophobicContact CD-CD1 4.17Å; K143-Y349 HydrophobicContact CD-CE1 4.34Å; K143-Y349 HydrophobicContact CG-CD1 3.8Å; K143-Y349 HydrophobicContact CG-CD2 3.94Å; K143-Y349 HydrophobicContact CG-CE1 3.88Å; K143-Y349 HydrophobicContact CG-CE2 3.99Å; K143-Y349 HydrophobicContact CG-CG 3.85Å; F146-Y349 HydrophobicContact CB-CD2 4.17Å; F146-Y349 AromaticContact CD2-CD2 3.83Å; F146-Y349 HydrophobicContact CD2-CD2 3.83Å; F146-Y349 VanDerWaalsContact CE1-N 3.28Å; F146-Y349 HydrophobicContact CE2-CD2 4.39Å; F146-Y349 HydrophobicContact CG-CD2 4.05Å; Y349-N353 WeakPolarHBondContact CD1-ND2 3.49Å; Y349-N353 WeakPolarHBondContact CE1-ND2 3.49Å; Y349-N353 PolarHBondContact O-N 3.46Å; Y349-N353 PolarHBondContact O-ND2 3.11Å; Y349-L452 HydrophobicContact CD2-CD1 3.97Å; Y349-L452 HydrophobicContact CE2-CD1 3.76Å; Y349-L452 HydrophobicContact CE2-CD2 4.33Å
350E94.9Very high92.5Very high103 Ų10360.1 Ų60.148%0.48132%0.322SS..Hα-helixtrans-67.1-42.2177.2-70.666.7-150.500111.3K143 S348 L352 N353 S354K143-E350 IonicContact NZ-OE1 3.98Å; K143-E350 PolarHBondContact NZ-OE1 2.94Å; S348-E350 VanDerWaalsContact C-N 3.27Å; S348-E350 PolarHBondContact O-N 2.96Å; E350-L352 PolarHBondContact O-N 2.87Å; E350-N353 PolarHBondContact O-N 2.95Å; E350-S354 PolarHBondContact O-N 3.22Å; E350-S354 VanDerWaalsContact O-N 3.1Å
351D95.1Very high92.7Very high59 Ų5956.9 Ų56.932%0.31630%0.299SS..Hα-helixtrans-58.1-52.1177.2-64.9-33.9000110.8L341 I347 S348 N353 S354L341-D351 HydrophobicContact CD2-CB 3.63Å; I347-D351 HydrophobicContact CG2-CB 4.13Å; S348-D351 VanDerWaalsContact CB-OD2 3.26Å; S348-D351 WeakPolarHBondContact CB-OD2 3.34Å; S348-D351 PolarHBondContact N-OD2 3.43Å; S348-D351 PolarHBondContact O-N 3.36Å; S348-D351 WeakPolarHBondContact OG-CB 3.35Å; S348-D351 PolarHBondContact OG-N 3.36Å; S348-D351 VanDerWaalsContact OG-N 3.09Å; S348-D351 PolarHBondContact OG-OD1 2.99Å; S348-D351 PolarHBondContact OG-OD2 2.93Å; D351-N353 VanDerWaalsContact C-N 3.27Å; D351-N353 PolarHBondContact O-N 3.34Å; D351-S354 PolarHBondContact O-N 3.33Å; D351-S354 PolarHBondContact O-OG 2.9Å
352L95.9Very high92.9Very high0 Ų056.5 Ų56.50%030%0.297CS..Hα-helixtrans-60.6-36.3-178.4-172.967.5000112.7F146 I347 S348 E350 S354 L355 L358 L452 K455 M456 V459F146-L352 HydrophobicContact CE2-CB 4.44Å; F146-L352 HydrophobicContact CE2-CD2 3.95Å; I347-L352 HydrophobicContact CG2-CB 4.11Å; S348-L352 PolarHBondContact O-N 3.3Å; S348-L352 VanDerWaalsContact O-N 3.13Å; E350-L352 PolarHBondContact O-N 2.87Å; L352-S354 VanDerWaalsContact C-N 3.3Å; L352-L355 HydrophobicContact CD1-CD1 4.28Å; L352-L358 HydrophobicContact CD1-CD2 4.36Å; L352-L452 HydrophobicContact CD2-CD1 3.9Å; L352-K455 HydrophobicContact CD1-CB 4.03Å; L352-K455 HydrophobicContact CD2-CB 4.13Å; L352-K455 HydrophobicContact CG-CB 4.2Å; L352-M456 HydrophobicContact CD2-CB 4.04Å; L352-M456 HydrophobicContact CD2-CE 4.14Å; L352-V459 HydrophobicContact CD1-CB 4.35Å; L352-V459 HydrophobicContact CD1-CG2 3.75Å
353N94Very high93.6Very high68 Ų6849.9 Ų49.936%0.36427%0.272SS..Hα-helixtrans-81.6-7.7179.8-72.7-63.5000113.6Y349 E350 D351Y349-N353 WeakPolarHBondContact CD1-ND2 3.49Å; Y349-N353 WeakPolarHBondContact CE1-ND2 3.49Å; Y349-N353 PolarHBondContact O-N 3.46Å; Y349-N353 PolarHBondContact O-ND2 3.11Å; E350-N353 PolarHBondContact O-N 2.95Å; D351-N353 VanDerWaalsContact C-N 3.27Å; D351-N353 PolarHBondContact O-N 3.34Å
354S95.5Very high94.5Very high60 Ų6044.3 Ų44.342%0.4225%0.248SC..THydrogen-bonded Turntrans-90.4-7.3177.568.60000114E350 D351 L352 E356E350-S354 PolarHBondContact O-N 3.22Å; E350-S354 VanDerWaalsContact O-N 3.1Å; D351-S354 PolarHBondContact O-N 3.33Å; D351-S354 PolarHBondContact O-OG 2.9Å; L352-S354 VanDerWaalsContact C-N 3.3Å; S354-E356 PolarHBondContact O-N 2.92Å; S354-E356 VanDerWaalsContact O-N 3.1Å
355L97.8Very high95.7Very high0 Ų036.8 Ų36.80%021%0.208CC..  trans-77.388.9178.5-60.3173.7000111E336 I337 C340 L341 L352 L358 D359 V459E336-L355 HydrophobicContact CG-CD2 3.99Å; I337-L355 HydrophobicContact CG1-CD1 4.4Å; C340-L355 HydrophobicContact CB-CD2 3.73Å; L341-L355 HydrophobicContact CD1-CD1 4.3Å; L341-L355 HydrophobicContact CG-CD2 4.44Å; L352-L355 HydrophobicContact CD1-CD1 4.28Å; L355-L358 HydrophobicContact CB-CB 3.7Å; L355-L358 HydrophobicContact CB-CD2 4.13Å; L355-L358 HydrophobicContact CD1-CD2 3.74Å; L355-L358 WeakPolarHBondContact O-CB 3.48Å; L355-L358 PolarHBondContact O-N 3.42Å; L355-D359 PolarHBondContact O-N 3.36Å; L355-V459 HydrophobicContact CD1-CG2 3.57Å
356E97.5Very high96.4Very high95 Ų9535 Ų3544%0.44419%0.192SC..Hα-helixtrans-70-37.2-172.6-58.1-169.7-179.200113.2E336 S354 D359 Q360 K423E336-E356 PolarHBondContact OE1-N 2.87Å; E336-E356 VanDerWaalsContact OE1-N 3.07Å; S354-E356 PolarHBondContact O-N 2.92Å; S354-E356 VanDerWaalsContact O-N 3.1Å; E356-D359 WeakPolarHBondContact O-CB 3.5Å; E356-D359 PolarHBondContact O-N 3.16Å; E356-Q360 WeakPolarHBondContact O-CG 3.4Å; E356-Q360 PolarHBondContact O-N 3.16Å; E356-Q360 VanDerWaalsContact O-N 3.15Å; E356-K423 IonicContact OE1-NZ 3.24Å; E356-K423 PolarHBondContact OE1-NZ 3.32Å; E356-K423 WeakPolarHBondContact OE2-CE 3.22Å; E356-K423 IonicContact OE2-NZ 3.8Å; E356-K423 PolarHBondContact OE2-NZ 2.81Å
357Y98.6Very high96.9Very high21 Ų2129.4 Ų29.48%0.08216%0.156CC..Hα-helixtrans-73.8-32.4178.2-161.1-107.2000111.4V329 I332 L333 E336 D359 Q360 V361 P418 E419V329-Y357 HydrophobicContact CG1-CE1 4.04Å; I332-Y357 HydrophobicContact CB-CD1 4.29Å; I332-Y357 HydrophobicContact CB-CE1 3.64Å; I332-Y357 HydrophobicContact CG2-CD1 3.7Å; I332-Y357 HydrophobicContact CG2-CD2 4.37Å; I332-Y357 HydrophobicContact CG2-CE1 3.38Å; I332-Y357 HydrophobicContact CG2-CE2 4.11Å; I332-Y357 HydrophobicContact CG2-CG 4.18Å; L333-Y357 HydrophobicContact CB-CD1 4Å; L333-Y357 HydrophobicContact CB-CE1 4.33Å; L333-Y357 HydrophobicContact CD1-CD1 4.42Å; E336-Y357 VanDerWaalsContact CD-CB 3.45Å; E336-Y357 VanDerWaalsContact OE1-CB 3.29Å; E336-Y357 WeakPolarHBondContact OE1-CB 3.49Å; E336-Y357 PolarHBondContact OE1-N 3.42Å; E336-Y357 WeakPolarHBondContact OE2-CB 3.33Å; E336-Y357 PolarHBondContact OE2-N 3.45Å; Y357-D359 VanDerWaalsContact C-N 3.27Å; Y357-D359 PolarHBondContact O-N 2.84Å; Y357-Q360 HydrophobicContact CD2-CB 4.48Å; Y357-Q360 WeakPolarHBondContact O-CB 3.33Å; Y357-Q360 PolarHBondContact O-N 3.25Å; Y357-V361 HydrophobicContact CD1-CG2 3.9Å; Y357-V361 HydrophobicContact CE1-CG2 3.77Å; Y357-V361 WeakPolarHBondContact O-CB 3.35Å; Y357-V361 VanDerWaalsContact O-CG2 3.31Å; Y357-V361 WeakPolarHBondContact O-CG2 3.46Å; Y357-V361 PolarHBondContact O-N 3.16Å; Y357-P418 HydrophobicContact CE2-CB 3.94Å; Y357-E419 WeakPolarHBondContact CE2-OE1 3.39Å; Y357-E419 PolarHBondContact OH-OE1 2.92Å
358L98.7Very high97.1Very high0 Ų029.7 Ų29.70%016%0.157CC..Hα-helixtrans-56.9-41.9168.1-179.960.2000111.8L333 E336 L352 L355 Q360 V361 F362 K455 I458 V459L333-L358 HydrophobicContact CD1-CB 3.73Å; L333-L358 HydrophobicContact CD1-CD1 4.07Å; L333-L358 HydrophobicContact CD1-CG 4.48Å; L333-L358 HydrophobicContact CD2-CD1 4.01Å; E336-L358 PolarHBondContact OE2-N 3.28Å; L352-L358 HydrophobicContact CD1-CD2 4.36Å; L355-L358 HydrophobicContact CB-CB 3.7Å; L355-L358 HydrophobicContact CB-CD2 4.13Å; L355-L358 HydrophobicContact CD1-CD2 3.74Å; L355-L358 WeakPolarHBondContact O-CB 3.48Å; L355-L358 PolarHBondContact O-N 3.42Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; L358-V361 PolarHBondContact O-N 3.21Å; L358-F362 VanDerWaalsContact O-CB 3.28Å; L358-F362 WeakPolarHBondContact O-CB 3.42Å; L358-F362 PolarHBondContact O-N 2.99Å; L358-K455 HydrophobicContact CD2-CB 3.84Å; L358-K455 HydrophobicContact CD2-CD 4.06Å; L358-K455 HydrophobicContact CD2-CG 3.82Å; L358-K455 HydrophobicContact CG-CD 4.37Å; L358-K455 HydrophobicContact CG-CG 4.08Å; L358-I458 HydrophobicContact CD1-CB 4.41Å; L358-I458 HydrophobicContact CD1-CG2 3.78Å; L358-V459 HydrophobicContact CD2-CG2 3.5Å; L358-V459 VanDerWaalsContact CD2-CG2 3.5Å
359D98.2Very high97.2Very high57 Ų5728.3 Ų28.331%0.30515%0.147SC..Hα-helixtrans-63.8-42.9177.7-72.829.6000111.3L355 E356 Y357 F362 C363 K455L355-D359 PolarHBondContact O-N 3.36Å; E356-D359 WeakPolarHBondContact O-CB 3.5Å; E356-D359 PolarHBondContact O-N 3.16Å; Y357-D359 VanDerWaalsContact C-N 3.27Å; Y357-D359 PolarHBondContact O-N 2.84Å; D359-F362 PolarHBondContact O-N 3.44Å; D359-C363 WeakPolarHBondContact O-CB 3.35Å; D359-C363 PolarHBondContact O-N 3.12Å; D359-C363 PolarHBondContact O-SG 3.34Å; D359-K455 WeakPolarHBondContact OD1-CE 3.45Å; D359-K455 IonicContact OD1-NZ 3.47Å; D359-K455 PolarHBondContact OD1-NZ 3.31Å; D359-K455 IonicContact OD2-NZ 3.59Å; D359-K455 PolarHBondContact OD2-NZ 2.96Å
360Q98.5Very high97.2Very high24 Ų2426.8 Ų26.811%0.11214%0.141CC..Hα-helixtrans-61.7-49176-71.5174.942.100112E356 Y357 L358 F362 C363 E364 P418 F421E356-Q360 WeakPolarHBondContact O-CG 3.4Å; E356-Q360 PolarHBondContact O-N 3.16Å; E356-Q360 VanDerWaalsContact O-N 3.15Å; Y357-Q360 HydrophobicContact CD2-CB 4.48Å; Y357-Q360 WeakPolarHBondContact O-CB 3.33Å; Y357-Q360 PolarHBondContact O-N 3.25Å; L358-Q360 VanDerWaalsContact C-N 3.34Å; Q360-F362 PolarHBondContact O-N 3.09Å; Q360-C363 PolarHBondContact O-N 2.83Å; Q360-E364 WeakPolarHBondContact O-CB 3.42Å; Q360-E364 PolarHBondContact O-N 3.11Å; Q360-P418 HydrophobicContact CB-CB 3.81Å; Q360-P418 WeakPolarHBondContact CB-O 3.33Å; Q360-F421 HydrophobicContact CB-CB 4.37Å; Q360-F421 HydrophobicContact CG-CB 4.12Å
361V98.8Very high97.2Very high1 Ų123.9 Ų23.91%0.00613%0.13CC..Hα-helixtrans-60.8-45.3177.7166.60000110.8L323 V329 L333 Y357 L358 E364 S365 F416 P418L323-V361 HydrophobicContact CD2-CG1 3.74Å; L323-V361 HydrophobicContact CG-CG1 4.23Å; V329-V361 HydrophobicContact CG1-CG2 3.71Å; L333-V361 HydrophobicContact CD2-CB 4.35Å; L333-V361 HydrophobicContact CD2-CG1 4.1Å; L333-V361 HydrophobicContact CD2-CG2 4.26Å; Y357-V361 HydrophobicContact CD1-CG2 3.9Å; Y357-V361 HydrophobicContact CE1-CG2 3.77Å; Y357-V361 WeakPolarHBondContact O-CB 3.35Å; Y357-V361 VanDerWaalsContact O-CG2 3.31Å; Y357-V361 WeakPolarHBondContact O-CG2 3.46Å; Y357-V361 PolarHBondContact O-N 3.16Å; L358-V361 PolarHBondContact O-N 3.21Å; V361-E364 PolarHBondContact O-N 3.09Å; V361-S365 WeakPolarHBondContact O-CB 3.38Å; V361-S365 PolarHBondContact O-N 3.41Å; V361-F416 HydrophobicContact CG1-CZ 4.28Å; V361-P418 HydrophobicContact CG2-CB 3.99Å; V361-P418 HydrophobicContact CG2-CG 3.74Å
362F98.3Very high97.1Very high5 Ų523 Ų232%0.02213%0.131CC..Hα-helixtrans-63.1-44.9179.5-177-91.3000111.1T315 L358 D359 Q360 S365 Q366 F437 I451 M454 I458T315-F362 HydrophobicContact CG2-CE2 3.95Å; T315-F362 HydrophobicContact CG2-CZ 4.06Å; L358-F362 VanDerWaalsContact O-CB 3.28Å; L358-F362 WeakPolarHBondContact O-CB 3.42Å; L358-F362 PolarHBondContact O-N 2.99Å; D359-F362 PolarHBondContact O-N 3.44Å; Q360-F362 PolarHBondContact O-N 3.09Å; F362-S365 WeakPolarHBondContact O-CB 3.35Å; F362-S365 PolarHBondContact O-N 3.13Å; F362-Q366 HydrophobicContact CD1-CG 4.32Å; F362-Q366 HydrophobicContact CE1-CG 3.81Å; F362-Q366 HydrophobicContact CZ-CG 4.01Å; F362-Q366 WeakPolarHBondContact O-CG 3.23Å; F362-Q366 PolarHBondContact O-N 2.85Å; F362-Q366 VanDerWaalsContact O-N 3.08Å; F362-F437 HydrophobicContact CE1-CE2 4.21Å; F362-F437 HydrophobicContact CE1-CZ 4.31Å; F362-F437 HydrophobicContact CZ-CZ 4.36Å; F362-I451 HydrophobicContact CE1-CD1 4.46Å; F362-I451 HydrophobicContact CE1-CG1 3.78Å; F362-I451 HydrophobicContact CZ-CG1 4.18Å; F362-M454 HydrophobicContact CE2-CB 4.04Å; F362-M454 HydrophobicContact CE2-CE 3.74Å; F362-M454 HydrophobicContact CE2-SD 3.94Å; F362-M454 HydrophobicContact CZ-CE 3.43Å; F362-M454 VanDerWaalsContact CZ-CE 3.43Å; F362-M454 HydrophobicContact CZ-SD 4.19Å; F362-I458 HydrophobicContact CD2-CD1 4.35Å
363C98.1Very high97Very high33 Ų3324 Ų2422%0.22314%0.137CC..Hα-helixtrans-62.8-45177-75.40000112.5D359 Q360 S365 Q366 R367 F421 Y434D359-C363 WeakPolarHBondContact O-CB 3.35Å; D359-C363 PolarHBondContact O-N 3.12Å; D359-C363 PolarHBondContact O-SG 3.34Å; Q360-C363 PolarHBondContact O-N 2.83Å; C363-S365 VanDerWaalsContact C-N 3.32Å; C363-S365 PolarHBondContact O-N 2.9Å; C363-Q366 PolarHBondContact O-N 3.48Å; C363-Q366 VanDerWaalsContact O-N 3.17Å; C363-R367 PolarHBondContact O-N 3.06Å; C363-F421 HydrophobicContact CB-CB 4.1Å; C363-F421 HydrophobicContact CB-CD1 3.64Å; C363-F421 HydrophobicContact CB-CD2 3.65Å; C363-F421 HydrophobicContact CB-CE1 3.91Å; C363-F421 HydrophobicContact CB-CE2 3.92Å; C363-F421 HydrophobicContact CB-CG 3.5Å; C363-F421 HydrophobicContact CB-CZ 4.04Å; C363-Y434 WeakPolarHBondContact CA-OH 3.48Å; C363-Y434 VanDerWaalsContact CB-OH 3.26Å; C363-Y434 WeakPolarHBondContact CB-OH 3.24Å; C363-Y434 PolarHBondContact O-OH 3.2Å; C363-Y434 VanDerWaalsContact O-OH 3.12Å; C363-Y434 PolarHBondContact SG-OH 2.67Å
364E98.5Very high97.1Very high0 Ų022.4 Ų22.40%013%0.126CC..Hα-helixtrans-65.4-36178.1-178.466.4172.200112.2Q360 V361 Q366 R367 M368 F416 K417 R420 F421Q360-E364 WeakPolarHBondContact O-CB 3.42Å; Q360-E364 PolarHBondContact O-N 3.11Å; V361-E364 PolarHBondContact O-N 3.09Å; E364-Q366 PolarHBondContact O-N 2.88Å; E364-R367 WeakPolarHBondContact O-CB 3.31Å; E364-R367 PolarHBondContact O-N 2.75Å; E364-R367 IonicContact OE1-CZ 3.92Å; E364-R367 IonicContact OE1-NE 3.23Å; E364-R367 PolarHBondContact OE1-NE 2.81Å; E364-R367 IonicContact OE1-NH2 2.85Å; E364-R367 PolarHBondContact OE1-NH2 3.07Å; E364-R367 WeakPolarHBondContact OE2-CD 3.24Å; E364-R367 IonicContact OE2-CZ 3.77Å; E364-R367 IonicContact OE2-NE 2.78Å; E364-R367 PolarHBondContact OE2-NE 3.48Å; E364-R367 IonicContact OE2-NH2 3.47Å; E364-M368 HydrophobicContact CG-CG 4.42Å; E364-M368 WeakPolarHBondContact O-CB 3.42Å; E364-M368 WeakPolarHBondContact O-CG 3.3Å; E364-M368 PolarHBondContact O-N 3.18Å; E364-F416 HydrophobicContact CB-CE1 4.49Å; E364-F416 HydrophobicContact CB-CE2 4.18Å; E364-F416 HydrophobicContact CB-CZ 4.05Å; E364-F416 HydrophobicContact CG-CD1 4.18Å; E364-F416 HydrophobicContact CG-CD2 3.82Å; E364-F416 HydrophobicContact CG-CE1 4.16Å; E364-F416 HydrophobicContact CG-CE2 3.75Å; E364-F416 HydrophobicContact CG-CG 3.99Å; E364-F416 HydrophobicContact CG-CZ 3.93Å; E364-K417 PolarHBondContact OE1-N 3.43Å; E364-R420 IonicContact OE1-NE 2.99Å; E364-R420 PolarHBondContact OE1-NE 2.93Å; E364-R420 IonicContact OE2-NE 3.76Å; E364-F421 HydrophobicContact CB-CD2 4.15Å; E364-F421 HydrophobicContact CB-CE2 4.12Å; E364-F421 WeakPolarHBondContact OE2-CE2 3.48Å
365S98.3Very high97.2Very high0 Ų020.5 Ų20.50%011%0.111CC..Hα-helixtrans-59.2-45.5171.2179.50000112.3T319 N322 V361 F362 C363 R367 M368 I369T319-S365 WeakPolarHBondContact CA-OG 3.18Å; T319-S365 WeakPolarHBondContact CB-OG 3.24Å; T319-S365 PolarHBondContact N-OG 2.92Å; T319-S365 WeakPolarHBondContact OG1-CB 3.18Å; T319-S365 PolarHBondContact OG1-OG 2.9Å; N322-S365 WeakPolarHBondContact ND2-CA 3.48Å; N322-S365 PolarHBondContact ND2-OG 3.42Å; V361-S365 WeakPolarHBondContact O-CB 3.38Å; V361-S365 PolarHBondContact O-N 3.41Å; F362-S365 WeakPolarHBondContact O-CB 3.35Å; F362-S365 PolarHBondContact O-N 3.13Å; C363-S365 VanDerWaalsContact C-N 3.32Å; C363-S365 PolarHBondContact O-N 2.9Å; S365-R367 VanDerWaalsContact C-N 3.34Å; S365-R367 PolarHBondContact O-N 3.02Å; S365-M368 PolarHBondContact O-N 3.05Å; S365-I369 PolarHBondContact O-N 3.06Å
366Q97.9Very high97.1Very high2 Ų222.1 Ų22.11%0.00912%0.119CC..Hα-helixtrans-68.8-30.6176.7-68.7-53.6-82.900113.7F362 C363 E364 P370 H404 P436F362-Q366 HydrophobicContact CD1-CG 4.32Å; F362-Q366 HydrophobicContact CE1-CG 3.81Å; F362-Q366 HydrophobicContact CZ-CG 4.01Å; F362-Q366 WeakPolarHBondContact O-CG 3.23Å; F362-Q366 PolarHBondContact O-N 2.85Å; F362-Q366 VanDerWaalsContact O-N 3.08Å; C363-Q366 PolarHBondContact O-N 3.48Å; C363-Q366 VanDerWaalsContact O-N 3.17Å; E364-Q366 PolarHBondContact O-N 2.88Å; Q366-P370 WeakPolarHBondContact O-CA 3.25Å; Q366-P370 WeakPolarHBondContact O-CB 3.39Å; Q366-H404 PolarHBondContact O-ND1 3.41Å; Q366-P436 HydrophobicContact CB-CB 3.72Å; Q366-P436 HydrophobicContact CB-CG 4.01Å; Q366-P436 HydrophobicContact CG-CB 4.3Å
367R98Very high97.1Very high0 Ų017.7 Ų17.70%010%0.098CC..Hα-helixtrans-64.1-49.5169.4-168.1-167.266.280-2.3110.1C363 E364 S365 H404 W410 P413 S415 F421 Y434C363-R367 PolarHBondContact O-N 3.06Å; E364-R367 WeakPolarHBondContact O-CB 3.31Å; E364-R367 PolarHBondContact O-N 2.75Å; E364-R367 IonicContact OE1-CZ 3.92Å; E364-R367 IonicContact OE1-NE 3.23Å; E364-R367 PolarHBondContact OE1-NE 2.81Å; E364-R367 IonicContact OE1-NH2 2.85Å; E364-R367 PolarHBondContact OE1-NH2 3.07Å; E364-R367 WeakPolarHBondContact OE2-CD 3.24Å; E364-R367 IonicContact OE2-CZ 3.77Å; E364-R367 IonicContact OE2-NE 2.78Å; E364-R367 PolarHBondContact OE2-NE 3.48Å; E364-R367 IonicContact OE2-NH2 3.47Å; S365-R367 VanDerWaalsContact C-N 3.34Å; S365-R367 PolarHBondContact O-N 3.02Å; R367-H404 WeakPolarHBondContact CA-ND1 3.38Å; R367-H404 WeakPolarHBondContact CD-O 3.47Å; R367-H404 HydrophobicContact CG-CB 3.87Å; R367-H404 VanDerWaalsContact CG-O 3.28Å; R367-H404 WeakPolarHBondContact CG-O 3.47Å; R367-H404 PolarHBondContact NH1-O 3.4Å; R367-H404 WeakPolarHBondContact O-CB 3.46Å; R367-H404 PolarHBondContact O-ND1 2.95Å; R367-W410 VanDerWaalsContact CD-CZ3 3.44Å; R367-W410 HydrophobicContact CG-CD2 4.47Å; R367-W410 HydrophobicContact CG-CH2 4.15Å; R367-W410 HydrophobicContact CG-CZ2 4.03Å; R367-W410 HydrophobicContact CG-CZ3 4.44Å; R367-P413 PolarHBondContact NH1-O 2.88Å; R367-P413 PolarHBondContact NH2-O 3.43Å; R367-S415 PolarHBondContact NH2-O 3.48Å; R367-S415 VanDerWaalsContact NH2-O 3.16Å; R367-F421 HydrophobicContact CB-CE2 4.34Å; R367-F421 HydrophobicContact CB-CZ 4.26Å; R367-Y434 HydrophobicContact CB-CD2 4.23Å; R367-Y434 HydrophobicContact CB-CE2 3.94Å; R367-Y434 HydrophobicContact CG-CD2 4.38Å
368M97.3Very high97.1Very high21 Ų2118.2 Ų18.210%0.10310%0.103CC..Hα-helixtrans-66-43.8-174.2-75.3-70.7-70.400113.3E364 S365 H401 K405 E414 F416E364-M368 HydrophobicContact CG-CG 4.42Å; E364-M368 WeakPolarHBondContact O-CB 3.42Å; E364-M368 WeakPolarHBondContact O-CG 3.3Å; E364-M368 PolarHBondContact O-N 3.18Å; S365-M368 PolarHBondContact O-N 3.05Å; M368-H401 PolarHBondContact O-NE2 3Å; M368-K405 VanDerWaalsContact CE-NZ 3.32Å; M368-K405 VanDerWaalsContact O-CE 3.27Å; M368-K405 WeakPolarHBondContact O-CE 3.49Å; M368-K405 PolarHBondContact SD-NZ 3.1Å; M368-E414 VanDerWaalsContact CE-O 3.29Å; M368-E414 WeakPolarHBondContact CE-O 3.5Å; M368-F416 HydrophobicContact CB-CD2 4.47Å; M368-F416 HydrophobicContact CG-CD2 3.81Å; M368-F416 HydrophobicContact CG-CE2 4.37Å
369I96Very high97Very high14 Ų1418.2 Ų18.27%0.07210%0.103CC..SBendtrans-140.987.3-178.9-49-178.9000109.2Y318 S365 I477 F479Y318-I369 HydrophobicContact CD1-CG2 4.38Å; Y318-I369 HydrophobicContact CD2-CB 4.08Å; Y318-I369 HydrophobicContact CD2-CG2 3.38Å; Y318-I369 HydrophobicContact CE2-CG2 3.62Å; Y318-I369 HydrophobicContact CG-CB 4.29Å; Y318-I369 HydrophobicContact CG-CG2 3.81Å; S365-I369 PolarHBondContact O-N 3.06Å; I369-I477 HydrophobicContact CD1-CD1 3.93Å; I369-I477 HydrophobicContact CD1-CG1 4.45Å; I369-F479 HydrophobicContact CG2-CE1 4.31Å; I369-F479 HydrophobicContact CG2-CE2 4.2Å; I369-F479 HydrophobicContact CG2-CZ 3.5Å; I369-F479 VanDerWaalsContact CG2-CZ 3.5Å
370P95.9Very high96.9Very high0 Ų018.3 Ų18.30%010%0.101CC..  trans-75.3132.7-179.828.8-33.6000111.3Q366 A372 V400 H401 F483Q366-P370 WeakPolarHBondContact O-CA 3.25Å; Q366-P370 WeakPolarHBondContact O-CB 3.39Å; P370-A372 PolarHBondContact O-N 3.22Å; P370-V400 HydrophobicContact CB-CG1 4.29Å; P370-V400 HydrophobicContact CG-CG1 4.45Å; P370-H401 HydrophobicContact CG-CB 3.83Å; P370-F483 WeakPolarHBondContact O-CE1 3.35Å
371T93.8Very high96.7Very high41 Ų4123.7 Ų23.725%0.25212%0.124SC..SBendtrans-61.2-30177.1-60.50000112.9T311 T314 T315T311-T371 HydrophobicContact CG2-CG2 4.43Å; T314-T371 HydrophobicContact CG2-CG2 4.22Å; T315-T371 PolarHBondContact OG1-OG1 3.45Å
372A93.5Very high96.6Very high40 Ų4027.2 Ų27.233%0.33115%0.146SC..SBendtrans-112.798.817200000110P370 R374P370-A372 PolarHBondContact O-N 3.22Å; A372-R374 VanDerWaalsContact C-N 3.28Å; A372-R374 PolarHBondContact O-N 2.85Å
373P94.7Very high96.5Very high21 Ų2128.9 Ų28.914%0.13615%0.154CC..  trans-77.1-13.5-172.633.4-40.6000113.9L56 V400 H401 F483L56-P373 HydrophobicContact CD2-CB 3.73Å; L56-P373 HydrophobicContact CD2-CG 3.6Å; P373-V400 WeakPolarHBondContact O-CB 3.45Å; P373-V400 PolarHBondContact O-N 3.46Å; P373-H401 HydrophobicContact CB-CB 3.99Å; P373-H401 PolarHBondContact O-N 3.27Å; P373-H401 VanDerWaalsContact O-N 3.08Å; P373-F483 HydrophobicContact CB-CD1 3.82Å; P373-F483 HydrophobicContact CB-CD2 4.1Å; P373-F483 HydrophobicContact CB-CE1 3.82Å; P373-F483 HydrophobicContact CB-CE2 4.1Å; P373-F483 HydrophobicContact CB-CG 3.97Å; P373-F483 HydrophobicContact CB-CZ 3.95Å; P373-F483 HydrophobicContact CG-CB 3.96Å; P373-F483 HydrophobicContact CG-CD1 3.49Å; P373-F483 VanDerWaalsContact CG-CD1 3.49Å; P373-F483 HydrophobicContact CG-CD2 4.17Å; P373-F483 HydrophobicContact CG-CE1 4.01Å; P373-F483 HydrophobicContact CG-CG 3.59Å
374R95.4Very high96.4Very high35 Ų3534.3 Ų34.313%0.13218%0.176CC..  trans-139.6148.2175.6-70.5-178.1178.6164.6-0.5110.8L56 D60 E75 M82 A372 I398L56-R374 VanDerWaalsContact CD1-NH2 3.27Å; L56-R374 HydrophobicContact CD2-CG 4.31Å; D60-R374 IonicContact OD1-CZ 2.7Å; D60-R374 IonicContact OD1-NE 2.68Å; D60-R374 IonicContact OD1-NH2 2.91Å; D60-R374 PolarHBondContact OD1-NH2 2.9Å; D60-R374 IonicContact OD2-CZ 2.72Å; D60-R374 IonicContact OD2-NE 3.55Å; D60-R374 PolarHBondContact OD2-NE 2.88Å; D60-R374 IonicContact OD2-NH2 3.79Å; D60-R374 PolarHBondContact OD2-NH2 3.29Å; E75-R374 IonicContact OE1-NH1 2.94Å; M82-R374 HydrophobicContact CE-CG 4.48Å; A372-R374 VanDerWaalsContact C-N 3.28Å; A372-R374 PolarHBondContact O-N 2.85Å; R374-I398 VanDerWaalsContact CA-O 3.23Å; R374-I398 WeakPolarHBondContact CA-O 3.41Å
375L97.1Very high96.2Very high20 Ų2034.9 Ų34.911%0.10518%0.179CC..EExtended strand (participates in β ladder)trans-112.7156.3166.5-56.7169.8000109.1L93 G397 I398 V400 M435L93-L375 HydrophobicContact CD1-CD1 4.13Å; L375-G397 CarbonylContact O-C 3.47Å; L375-G397 WeakPolarHBondContact O-CA 3.4Å; L375-I398 HydrophobicContact CB-CB 4.28Å; L375-I398 PolarHBondContact N-O 3.02Å; L375-I398 PolarHBondContact O-N 3.34Å; L375-V400 HydrophobicContact CB-CG2 4.48Å; L375-V400 HydrophobicContact CD1-CG2 3.87Å; L375-V400 HydrophobicContact CG-CG2 3.59Å; L375-M435 HydrophobicContact CD1-CG 3.99Å; L375-M435 HydrophobicContact CD1-SD 3.61Å
376E96.9Very high95.9Very high34 Ų3440.4 Ų40.416%0.15921%0.209CC..EExtended strand (participates in β ladder)trans-138.5148.8-179-65174163.300112.3R105 L395 V396R105-E376 VanDerWaalsContact CB-OE2 3.32Å; R105-E376 WeakPolarHBondContact CB-OE2 3.28Å; R105-E376 WeakPolarHBondContact CD-OE2 3.48Å; R105-E376 WeakPolarHBondContact CG-OE2 3.43Å; R105-E376 IonicContact CZ-OE1 2.74Å; R105-E376 IonicContact NH1-OE1 2.76Å; R105-E376 PolarHBondContact NH1-OE1 3.37Å; E376-L395 HydrophobicContact CB-CD1 4.16Å; E376-V396 CarbonylContact C-O 3.58Å; E376-V396 WeakPolarHBondContact CA-O 3.44Å
377R97.6Very high95.5Very high2 Ų243.3 Ų43.31%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-140.8145.5167.6-65.7-60.3-175-87.1-7.3111I92 L93 F101 N103 V396 R442I92-R377 HydrophobicContact CG2-CB 4.09Å; I92-R377 HydrophobicContact CG2-CG 4.01Å; L93-R377 HydrophobicContact CD2-CG 4.05Å; F101-R377 HydrophobicContact CB-CB 3.94Å; F101-R377 HydrophobicContact CB-CG 4.19Å; F101-R377 HydrophobicContact CD1-CB 4.07Å; F101-R377 HydrophobicContact CG-CB 4.46Å; F101-R377 VanDerWaalsContact O-CD 3.24Å; F101-R377 WeakPolarHBondContact O-CD 3.2Å; N103-R377 CarbonylContact O-C 3.6Å; N103-R377 VanDerWaalsContact O-CA 3.25Å; N103-R377 WeakPolarHBondContact O-CA 3.31Å; R377-V396 PolarHBondContact N-O 2.94Å; R377-V396 PolarHBondContact O-N 3.32Å; R377-R442 PolarHBondContact NH2-O 2.86Å
378T97.1Very high95.3Very high32 Ų3244.2 Ų44.220%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-99.7126.1173.2-53.50000109N103 R104 K380N103-T378 PolarHBondContact O-N 2.71Å; R104-T378 PolarHBondContact O-OG1 3.23Å; R104-T378 VanDerWaalsContact O-OG1 3.06Å; T378-K380 PolarHBondContact O-N 3.42Å
379C97Very high95.2Very high0 Ų046.6 Ų46.60%026%0.26CS..  trans-73.4117.6176.1-161.50000109.9A100 F101 K381 I390 G393 T394A100-C379 CarbonylContact O-C 3.51Å; A100-C379 WeakPolarHBondContact O-CA 3.44Å; F101-C379 HydrophobicContact CD1-CB 4.2Å; F101-C379 HydrophobicContact CE1-CB 3.62Å; F101-C379 VanDerWaalsContact CE1-SG 3.57Å; F101-C379 HydrophobicContact CZ-CB 4.27Å; F101-C379 VanDerWaalsContact CZ-SG 3.59Å; C379-K381 PolarHBondContact SG-O 3.21Å; C379-I390 HydrophobicContact CB-CG2 3.85Å; C379-G393 WeakPolarHBondContact O-CA 3.11Å; C379-G393 PolarHBondContact O-N 2.72Å; C379-T394 WeakPolarHBondContact CB-O 3.2Å; C379-T394 PolarHBondContact N-O 2.87Å
380K95.3Very high95.3Very high60 Ų6045.9 Ų45.926%0.26126%0.256SS..SBendtrans-88.1-13.9-177.6-62.9-173.8-61.5175.60114.3T99 A100 T102 D123 T378 E392T99-K380 WeakPolarHBondContact O-CE 3.21Å; A100-K380 PolarHBondContact O-N 2.82Å; T102-K380 VanDerWaalsContact OG1-CE 3.26Å; T102-K380 WeakPolarHBondContact OG1-CE 3.28Å; T102-K380 PolarHBondContact OG1-NZ 2.97Å; D123-K380 WeakPolarHBondContact OD1-CD 3.47Å; D123-K380 WeakPolarHBondContact OD1-CE 3.46Å; D123-K380 IonicContact OD1-NZ 3.26Å; D123-K380 PolarHBondContact OD1-NZ 2.96Å; T378-K380 PolarHBondContact O-N 3.42Å; K380-E392 WeakPolarHBondContact O-CG 3.26Å
381K95.9Very high95.3Very high137 Ų13747 Ų4760%0.59626%0.264SS*.SBendtrans-152.7140.3-176.8178.4-177.9175.7-176.30107.2C379 M383C379-K381 PolarHBondContact SG-O 3.21Å; K381-M383 WeakPolarHBondContact O-CG 3.23Å; K381-M383 PolarHBondContact O-N 3.06Å
382T97Very high95.4Very high75 Ų7551.4 Ų51.446%0.4628%0.281SS..  trans-55.5126175.7-60.90000110.9T389 I390 E392T382-T389 HydrophobicContact CG2-CG2 4.03Å; T382-I390 VanDerWaalsContact CA-O 3.29Å; T382-I390 WeakPolarHBondContact CA-O 3.47Å; T382-E392 PolarHBondContact OG1-N 3.42Å; T382-E392 VanDerWaalsContact OG1-N 3.09Å
383M95.9Very high95.4Very high39 Ų3952 Ų5219%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-125.6149.8-178.9-67.2-61.1-72.200110.9E96 A100 F101 K381 I385 T389 I390E96-M383 HydrophobicContact CG-CE 4.07Å; A100-M383 HydrophobicContact CB-CE 4.44Å; A100-M383 HydrophobicContact CB-CG 3.48Å; A100-M383 VanDerWaalsContact CB-CG 3.48Å; A100-M383 HydrophobicContact CB-SD 3.89Å; F101-M383 HydrophobicContact CE2-CG 4.26Å; K381-M383 WeakPolarHBondContact O-CG 3.23Å; K381-M383 PolarHBondContact O-N 3.06Å; M383-I385 HydrophobicContact CB-CD1 4.45Å; M383-I385 HydrophobicContact CB-CG1 4.26Å; M383-T389 CarbonylContact O-C 3.25Å; M383-T389 WeakPolarHBondContact O-CA 3.44Å; M383-I390 PolarHBondContact N-O 3.29Å; M383-I390 PolarHBondContact O-N 3.04Å
384E95.8Very high95.5Very high148 Ų14851.1 Ų51.169%0.69229%0.286SS*.EExtended strand (participates in β ladder)trans-111.4121166.4-168179.6155.300108.7L388E384-L388 WeakPolarHBondContact CA-O 3.13Å
385I94.9Very high95.5Very high11 Ų1150 Ų506%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-131.7115.3-177.2-54.1177.4000107.7I88 A91 I92 F101 M383 G387 L388 I390I88-I385 HydrophobicContact CB-CG2 4.41Å; I88-I385 HydrophobicContact CG1-CG2 4.25Å; I88-I385 HydrophobicContact CG2-CG2 4.08Å; A91-I385 HydrophobicContact CB-CD1 4.25Å; A91-I385 HydrophobicContact CB-CG2 3.59Å; I92-I385 HydrophobicContact CG1-CD1 4.03Å; F101-I385 HydrophobicContact CE2-CD1 3.67Å; F101-I385 HydrophobicContact CZ-CD1 3.9Å; M383-I385 HydrophobicContact CB-CD1 4.45Å; M383-I385 HydrophobicContact CB-CG1 4.26Å; I385-G387 PolarHBondContact O-N 3.25Å; I385-L388 PolarHBondContact N-O 3.39Å; I385-L388 VanDerWaalsContact O-CB 3.29Å; I385-L388 WeakPolarHBondContact O-CB 3.2Å; I385-L388 PolarHBondContact O-N 2.88Å; I385-I390 HydrophobicContact CD1-CD1 4.07Å
386N90.6Very high95.6Very high117 Ų11749 Ų4963%0.62628%0.277SS*.THydrogen-bonded Turntrans50.241.9-179.9-61.70.5000113.2E87 I88 L388E87-N386 WeakPolarHBondContact CB-ND2 3.41Å; I88-N386 HydrophobicContact CD1-CB 4.42Å; I88-N386 HydrophobicContact CG1-CB 4.09Å; N386-L388 VanDerWaalsContact C-N 3.25Å; N386-L388 PolarHBondContact O-N 3.12Å
387G89.3Confident95.6Very high63 Ų6347.5 Ų47.565%0.64927%0.27SS*.THydrogen-bonded Turntrans77.50.3-178.300000115.2I385I385-G387 PolarHBondContact O-N 3.25Å
388L93.8Very high95.7Very high18 Ų1847.4 Ų47.49%0.09427%0.27CS..EExtended strand (participates in β ladder)trans-93.1116172.2179.666.1000110.3V37 I70 L81 I88 E384 I385 N386 I390V37-L388 HydrophobicContact CG2-CD1 4.12Å; I70-L388 HydrophobicContact CD1-CD2 4.05Å; I70-L388 HydrophobicContact CG1-CD2 4.45Å; I70-L388 HydrophobicContact CG2-CD1 4.11Å; I70-L388 HydrophobicContact CG2-CD2 4.05Å; L81-L388 HydrophobicContact CD2-CD2 4.2Å; I88-L388 HydrophobicContact CD1-CD2 4.27Å; E384-L388 WeakPolarHBondContact CA-O 3.13Å; I385-L388 PolarHBondContact N-O 3.39Å; I385-L388 VanDerWaalsContact O-CB 3.29Å; I385-L388 WeakPolarHBondContact O-CB 3.2Å; I385-L388 PolarHBondContact O-N 2.88Å; N386-L388 VanDerWaalsContact C-N 3.25Å; N386-L388 PolarHBondContact O-N 3.12Å; L388-I390 HydrophobicContact CD2-CD1 4.08Å; L388-I390 HydrophobicContact CD2-CG1 3.99Å; L388-I390 HydrophobicContact CG-CG1 3.95Å
389T95.9Very high95.7Very high71 Ų7145.9 Ų45.944%0.43626%0.261SS..EExtended strand (participates in β ladder)trans-81.8117.9169.4-51.50000110.2T382 M383 P391T382-T389 HydrophobicContact CG2-CG2 4.03Å; M383-T389 CarbonylContact O-C 3.25Å; M383-T389 WeakPolarHBondContact O-CA 3.44Å; T389-P391 WeakPolarHBondContact O-CD 3.4Å
390I97.1Very high95.8Very high0 Ų045.9 Ų45.90%026%0.261CS..EExtended strand (participates in β ladder)trans-108.1106175.6-53.7177.7000107.7L81 I92 F101 C379 T382 M383 I385 L388 T394 V396L81-I390 HydrophobicContact CD2-CD1 4.18Å; L81-I390 HydrophobicContact CD2-CG1 3.9Å; L81-I390 HydrophobicContact CD2-CG2 4.19Å; I92-I390 HydrophobicContact CD1-CD1 4.17Å; F101-I390 HydrophobicContact CE1-CD1 4.42Å; F101-I390 HydrophobicContact CE1-CG2 4.4Å; F101-I390 HydrophobicContact CZ-CD1 3.98Å; F101-I390 HydrophobicContact CZ-CG2 4.49Å; C379-I390 HydrophobicContact CB-CG2 3.85Å; T382-I390 VanDerWaalsContact CA-O 3.29Å; T382-I390 WeakPolarHBondContact CA-O 3.47Å; M383-I390 PolarHBondContact N-O 3.29Å; M383-I390 PolarHBondContact O-N 3.04Å; I385-I390 HydrophobicContact CD1-CD1 4.07Å; L388-I390 HydrophobicContact CD2-CD1 4.08Å; L388-I390 HydrophobicContact CD2-CG1 3.99Å; L388-I390 HydrophobicContact CG-CG1 3.95Å; I390-T394 HydrophobicContact CG2-CG2 4.11Å; I390-V396 HydrophobicContact CG2-CG2 4.1Å
391P96.8Very high95.9Very high24 Ų2443.7 Ų43.716%0.15625%0.251CS..  trans-63.9153.2178.2-22.132.6000113F31 I35 T389 T394F31-P391 HydrophobicContact CE2-CB 4.4Å; F31-P391 HydrophobicContact CE2-CG 4.15Å; F31-P391 HydrophobicContact CZ-CB 4.29Å; F31-P391 HydrophobicContact CZ-CG 3.88Å; I35-P391 HydrophobicContact CD1-CG 4.46Å; I35-P391 HydrophobicContact CG2-CG 3.81Å; T389-P391 WeakPolarHBondContact O-CD 3.4Å; P391-T394 WeakPolarHBondContact O-CB 3.12Å; P391-T394 PolarHBondContact O-N 2.92Å; P391-T394 PolarHBondContact O-OG1 3.03Å
392E96.4Very high95.9Very high132 Ų13237.3 Ų37.362%0.61722%0.224SC*.THydrogen-bonded Turntrans-50.9141.7166.8-179.8174.6168.500112.3K380 T382 T394K380-E392 WeakPolarHBondContact O-CG 3.26Å; T382-E392 PolarHBondContact OG1-N 3.42Å; T382-E392 VanDerWaalsContact OG1-N 3.09Å; E392-T394 PolarHBondContact O-N 3.27Å
393G93.5Very high96Very high54 Ų5433.7 Ų33.756%0.55720%0.202SC*.THydrogen-bonded Turntrans80.9-8-177.700000114.5C379 L395C379-G393 WeakPolarHBondContact O-CA 3.11Å; C379-G393 PolarHBondContact O-N 2.72Å; G393-L395 PolarHBondContact O-N 3.2Å
394T95.4Very high96.1Very high2 Ų231.9 Ų31.91%0.01219%0.193CC..  trans-67.5125.1-179.7-53.70000110.8F31 L81 C379 I390 P391 E392F31-T394 HydrophobicContact CE1-CG2 4.22Å; F31-T394 HydrophobicContact CZ-CG2 4.36Å; F31-T394 WeakPolarHBondContact CZ-OG1 3.22Å; L81-T394 HydrophobicContact CB-CG2 3.88Å; L81-T394 HydrophobicContact CD2-CG2 4.31Å; C379-T394 WeakPolarHBondContact CB-O 3.2Å; C379-T394 PolarHBondContact N-O 2.87Å; I390-T394 HydrophobicContact CG2-CG2 4.11Å; P391-T394 WeakPolarHBondContact O-CB 3.12Å; P391-T394 PolarHBondContact O-N 2.92Å; P391-T394 PolarHBondContact O-OG1 3.03Å; E392-T394 PolarHBondContact O-N 3.27Å
395L97.2Very high96.1Very high10 Ų1025.4 Ų25.45%0.05216%0.162CC..EExtended strand (participates in β ladder)trans-79.9124.9168.4-175.564.9000108.8T78 L80 L81 R105 E376 G393T78-L395 HydrophobicContact CG2-CD2 4.24Å; L80-L395 CarbonylContact C-O 3.59Å; L80-L395 WeakPolarHBondContact CA-O 3.34Å; L80-L395 HydrophobicContact CD1-CB 4.35Å; L80-L395 HydrophobicContact CD1-CD2 3.83Å; L80-L395 HydrophobicContact CD1-CG 3.71Å; L81-L395 PolarHBondContact N-O 3.42Å; R105-L395 HydrophobicContact CB-CD1 3.81Å; R105-L395 HydrophobicContact CB-CD2 4.05Å; E376-L395 HydrophobicContact CB-CD1 4.16Å; G393-L395 PolarHBondContact O-N 3.2Å
396V98.1Very high96.2Very high1 Ų125.1 Ų25.11%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-108128.1177.5-174.10000109.4L81 V83 I92 F101 E376 R377 I390L81-V396 HydrophobicContact CB-CG2 4.44Å; L81-V396 HydrophobicContact CD2-CG2 4.31Å; L81-V396 CarbonylContact O-C 3.54Å; L81-V396 VanDerWaalsContact O-CA 3.24Å; L81-V396 WeakPolarHBondContact O-CA 3.36Å; L81-V396 WeakPolarHBondContact O-CG1 3.49Å; V83-V396 HydrophobicContact CB-CG1 4.33Å; V83-V396 HydrophobicContact CG2-CG1 3.69Å; I92-V396 HydrophobicContact CD1-CB 4.48Å; I92-V396 HydrophobicContact CD1-CG1 3.72Å; F101-V396 HydrophobicContact CE1-CG2 3.99Å; E376-V396 CarbonylContact C-O 3.58Å; E376-V396 WeakPolarHBondContact CA-O 3.44Å; R377-V396 PolarHBondContact N-O 2.94Å; R377-V396 PolarHBondContact O-N 3.32Å; I390-V396 HydrophobicContact CG2-CG2 4.1Å
397G97.8Very high96.5Very high1 Ų124.3 Ų24.31%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-109.2143.2175.700000111.8L81 M82 V83 L375L81-G397 PolarHBondContact O-N 2.98Å; M82-G397 CarbonylContact C-O 3.6Å; M82-G397 WeakPolarHBondContact CA-O 3.26Å; V83-G397 PolarHBondContact N-O 3.27Å; L375-G397 CarbonylContact O-C 3.47Å; L375-G397 WeakPolarHBondContact O-CA 3.4Å
398I98.6Very high96.8Very high1 Ų127.1 Ų27.11%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-119.6117.6177.2-60165.6000107.5I89 L93 R374 L375 V400 L403 M435I89-I398 HydrophobicContact CD1-CG2 3.83Å; I89-I398 HydrophobicContact CG1-CD1 4.36Å; I89-I398 HydrophobicContact CG1-CG1 4.28Å; I89-I398 HydrophobicContact CG1-CG2 4.03Å; I89-I398 HydrophobicContact CG2-CD1 4.3Å; L93-I398 HydrophobicContact CD1-CD1 3.59Å; L93-I398 HydrophobicContact CD2-CD1 3.55Å; L93-I398 HydrophobicContact CG-CD1 3.49Å; L93-I398 VanDerWaalsContact CG-CD1 3.49Å; R374-I398 VanDerWaalsContact CA-O 3.23Å; R374-I398 WeakPolarHBondContact CA-O 3.41Å; L375-I398 HydrophobicContact CB-CB 4.28Å; L375-I398 PolarHBondContact N-O 3.02Å; L375-I398 PolarHBondContact O-N 3.34Å; I398-V400 PolarHBondContact O-N 3.06Å; I398-L403 HydrophobicContact CG2-CD1 3.82Å; I398-M435 HydrophobicContact CG2-CE 4.36Å; I398-M435 HydrophobicContact CG2-SD 3.81Å
399P97.8Very high96.9Very high0 Ų029.4 Ų29.40%016%0.161CC..  trans-83.378.5-172.936.3-35.4000110.7W71 M82 V83 A84 H401 L402 L403W71-P399 HydrophobicContact CH2-CB 4.39Å; W71-P399 HydrophobicContact CH2-CG 3.82Å; M82-P399 HydrophobicContact CE-CB 3.73Å; M82-P399 HydrophobicContact CE-CG 4.18Å; V83-P399 WeakPolarHBondContact O-CD 3.36Å; A84-P399 HydrophobicContact CB-CG 4.06Å; P399-H401 VanDerWaalsContact C-N 3.34Å; P399-H401 PolarHBondContact O-N 2.9Å; P399-L402 HydrophobicContact CB-CB 3.77Å; P399-L402 HydrophobicContact CB-CD2 4.08Å; P399-L402 HydrophobicContact CG-CB 4.13Å; P399-L402 HydrophobicContact CG-CD2 3.78Å; P399-L402 WeakPolarHBondContact O-CB 3.32Å; P399-L402 PolarHBondContact O-N 3.46Å; P399-L402 VanDerWaalsContact O-N 3.11Å; P399-L403 WeakPolarHBondContact O-CG 3.34Å; P399-L403 PolarHBondContact O-N 2.7Å
400V98.2Very high96.9Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-53.1-48.5-177-1800000112.1P370 P373 L375 I398 L402 L403 H404 M435P370-V400 HydrophobicContact CB-CG1 4.29Å; P370-V400 HydrophobicContact CG-CG1 4.45Å; P373-V400 WeakPolarHBondContact O-CB 3.45Å; P373-V400 PolarHBondContact O-N 3.46Å; L375-V400 HydrophobicContact CB-CG2 4.48Å; L375-V400 HydrophobicContact CD1-CG2 3.87Å; L375-V400 HydrophobicContact CG-CG2 3.59Å; I398-V400 PolarHBondContact O-N 3.06Å; V400-L402 VanDerWaalsContact C-N 3.29Å; V400-L402 PolarHBondContact O-N 3.06Å; V400-L403 PolarHBondContact O-N 3.13Å; V400-H404 VanDerWaalsContact CG1-CE1 3.41Å; V400-H404 WeakPolarHBondContact CG1-CE1 3.18Å; V400-H404 WeakPolarHBondContact CG1-NE2 3.42Å; V400-H404 WeakPolarHBondContact O-CB 3.49Å; V400-H404 PolarHBondContact O-CD2 2.79Å; V400-H404 PolarHBondContact O-N 3.08Å; V400-M435 HydrophobicContact CB-CG 4.39Å; V400-M435 HydrophobicContact CG1-CG 3.94Å; V400-M435 HydrophobicContact CG2-CG 3.76Å; V400-M435 HydrophobicContact CG2-SD 4.07Å
401H97.1Very high96.7Very high14 Ų1430.5 Ų30.57%0.06517%0.17CC..Hα-helixtrans-65.6-33.7-178.3-169-172000112.5M368 P370 P373 P399 K405 F483M368-H401 PolarHBondContact O-NE2 3Å; P370-H401 HydrophobicContact CG-CB 3.83Å; P373-H401 HydrophobicContact CB-CB 3.99Å; P373-H401 PolarHBondContact O-N 3.27Å; P373-H401 VanDerWaalsContact O-N 3.08Å; P399-H401 VanDerWaalsContact C-N 3.34Å; P399-H401 PolarHBondContact O-N 2.9Å; H401-K405 WeakPolarHBondContact O-CG 3.46Å; H401-K405 PolarHBondContact O-N 3.4Å; H401-F483 AromaticContact CE1-CE2 3.65Å; H401-F483 AromaticContact CE1-CZ 3.73Å; H401-F483 AromaticContact ND1-CE2 3.24Å; H401-F483 WeakPolarHBondContact ND1-CE2 3.41Å; H401-F483 AromaticContact ND1-CZ 3.42Å; H401-F483 WeakPolarHBondContact ND1-CZ 3.45Å
402L97.5Very high96.7Very high2 Ų232.6 Ų32.61%0.0119%0.185CC..Hα-helixtrans-63.8-51.9172.6178.870.5000110.6L57 D60 R61 Q64 W71 P399 V400 H404 K405 D406L57-L402 HydrophobicContact CD1-CB 4.39Å; L57-L402 HydrophobicContact CD1-CD1 4.4Å; D60-L402 HydrophobicContact CB-CB 4.34Å; D60-L402 HydrophobicContact CB-CD2 4.23Å; R61-L402 HydrophobicContact CB-CD1 4.07Å; R61-L402 HydrophobicContact CG-CD1 3.26Å; Q64-L402 HydrophobicContact CB-CD2 3.92Å; Q64-L402 HydrophobicContact CG-CD2 4.24Å; W71-L402 HydrophobicContact CH2-CD2 3.75Å; W71-L402 HydrophobicContact CZ3-CD2 4.5Å; P399-L402 HydrophobicContact CB-CB 3.77Å; P399-L402 HydrophobicContact CB-CD2 4.08Å; P399-L402 HydrophobicContact CG-CB 4.13Å; P399-L402 HydrophobicContact CG-CD2 3.78Å; P399-L402 WeakPolarHBondContact O-CB 3.32Å; P399-L402 PolarHBondContact O-N 3.46Å; P399-L402 VanDerWaalsContact O-N 3.11Å; V400-L402 VanDerWaalsContact C-N 3.29Å; V400-L402 PolarHBondContact O-N 3.06Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 3.2Å; L402-K405 CarbonylContact O-C 3.47Å; L402-K405 PolarHBondContact O-N 2.8Å; L402-D406 PolarHBondContact O-N 3.36Å
403L98.3Very high96.6Very high0 Ų027.4 Ų27.40%016%0.163CC..Hα-helixtrans-60.7-40.4-179-70.9167.9000112.3A84 I89 I398 P399 V400 K405 D406 Y409 W410 M435A84-L403 HydrophobicContact CB-CD2 4.08Å; A84-L403 WeakPolarHBondContact O-CD2 3.48Å; I89-L403 HydrophobicContact CD1-CD1 3.59Å; I398-L403 HydrophobicContact CG2-CD1 3.82Å; P399-L403 WeakPolarHBondContact O-CG 3.34Å; P399-L403 PolarHBondContact O-N 2.7Å; V400-L403 PolarHBondContact O-N 3.13Å; L403-K405 PolarHBondContact O-N 2.91Å; L403-K405 VanDerWaalsContact O-N 3.14Å; L403-D406 WeakPolarHBondContact O-CB 3.47Å; L403-D406 PolarHBondContact O-N 2.83Å; L403-Y409 HydrophobicContact CD2-CE2 4.18Å; L403-W410 VanDerWaalsContact O-CD1 3.3Å; L403-W410 PolarHBondContact O-NE1 3.01Å; L403-M435 HydrophobicContact CD1-CE 3.93Å
404H98Very high96.7Very high0 Ų029.4 Ų29.40%016%0.158CC..THydrogen-bonded Turntrans-63.3-17.3176.3-75.5-161.1000113.1Q366 R367 V400 L402 W410 A433 Y434 M435Q366-H404 PolarHBondContact O-ND1 3.41Å; R367-H404 WeakPolarHBondContact CA-ND1 3.38Å; R367-H404 WeakPolarHBondContact CD-O 3.47Å; R367-H404 HydrophobicContact CG-CB 3.87Å; R367-H404 VanDerWaalsContact CG-O 3.28Å; R367-H404 WeakPolarHBondContact CG-O 3.47Å; R367-H404 PolarHBondContact NH1-O 3.4Å; R367-H404 WeakPolarHBondContact O-CB 3.46Å; R367-H404 PolarHBondContact O-ND1 2.95Å; V400-H404 VanDerWaalsContact CG1-CE1 3.41Å; V400-H404 WeakPolarHBondContact CG1-CE1 3.18Å; V400-H404 WeakPolarHBondContact CG1-NE2 3.42Å; V400-H404 WeakPolarHBondContact O-CB 3.49Å; V400-H404 PolarHBondContact O-CD2 2.79Å; V400-H404 PolarHBondContact O-N 3.08Å; L402-H404 VanDerWaalsContact C-N 3.32Å; L402-H404 PolarHBondContact O-N 3.2Å; H404-W410 VanDerWaalsContact O-CD1 3.29Å; H404-W410 PolarHBondContact O-NE1 3.43Å; H404-A433 PolarHBondContact CD2-O 2.93Å; H404-Y434 AromaticContact NE2-CD2 3.96Å; H404-M435 PolarHBondContact NE2-N 3.36Å
405K96.8Very high96.8Very high12 Ų1231.8 Ų31.85%0.05218%0.175CC..THydrogen-bonded Turntrans-119.812.1-178.8-61.9-76-1651590113.1L57 M368 H401 L402 L403 P413 E414L57-K405 HydrophobicContact CD2-CG 4.47Å; M368-K405 VanDerWaalsContact CE-NZ 3.32Å; M368-K405 VanDerWaalsContact O-CE 3.27Å; M368-K405 WeakPolarHBondContact O-CE 3.49Å; M368-K405 PolarHBondContact SD-NZ 3.1Å; H401-K405 WeakPolarHBondContact O-CG 3.46Å; H401-K405 PolarHBondContact O-N 3.4Å; L402-K405 CarbonylContact O-C 3.47Å; L402-K405 PolarHBondContact O-N 2.8Å; L403-K405 PolarHBondContact O-N 2.91Å; L403-K405 VanDerWaalsContact O-N 3.14Å; K405-P413 HydrophobicContact CB-CB 4.49Å; K405-P413 WeakPolarHBondContact CD-O 3.45Å; K405-P413 WeakPolarHBondContact O-CB 3.47Å; K405-P413 WeakPolarHBondContact O-CG 3.43Å; K405-E414 IonicContact NZ-OE2 3.97Å; K405-E414 PolarHBondContact NZ-OE2 3.22Å
406D97Very high96.8Very high6 Ų632 Ų323%0.03218%0.175CC..  trans-78.3121.4-177-169.2-37.5000110.5Q64 L402 L403 R408 Y409 W410Q64-D406 PolarHBondContact NE2-OD2 3.39Å; L402-D406 PolarHBondContact O-N 3.36Å; L403-D406 WeakPolarHBondContact O-CB 3.47Å; L403-D406 PolarHBondContact O-N 2.83Å; D406-R408 VanDerWaalsContact CG-NE 3.34Å; D406-R408 PolarHBondContact O-N 3Å; D406-R408 VanDerWaalsContact OD1-CB 3.24Å; D406-R408 WeakPolarHBondContact OD1-CB 3.28Å; D406-R408 VanDerWaalsContact OD1-CG 3.22Å; D406-R408 WeakPolarHBondContact OD1-CG 3.29Å; D406-R408 PolarHBondContact OD1-N 2.89Å; D406-R408 IonicContact OD1-NE 2.94Å; D406-R408 PolarHBondContact OD1-NE 2.78Å; D406-R408 IonicContact OD2-CZ 3.62Å; D406-R408 IonicContact OD2-NE 2.63Å; D406-R408 PolarHBondContact OD2-NE 3.16Å; D406-R408 IonicContact OD2-NH2 2.71Å; D406-R408 PolarHBondContact OD2-NH2 2.88Å; D406-Y409 HydrophobicContact CB-CD2 3.87Å; D406-Y409 HydrophobicContact CB-CE2 4.29Å; D406-Y409 PolarHBondContact O-N 3.38Å; D406-W410 VanDerWaalsContact O-CD1 3.22Å; D406-W410 PolarHBondContact O-N 3.16Å
407P96Very high96.8Very high100 Ų10035.9 Ų35.965%0.64919%0.192SC*.THydrogen-bonded Turntrans-64.1-14-177.727.6-35.7000113.8Y409 P413P407-Y409 VanDerWaalsContact C-N 3.27Å; P407-Y409 PolarHBondContact O-N 3.3Å; P407-P413 HydrophobicContact CB-CG 4.35Å
408R95.4Very high96.8Very high121 Ų12135.8 Ų35.846%0.45719%0.191SC..THydrogen-bonded Turntrans-67.8-27.1173.2-61.7177.4-64.4171.93.8112.8D69 D406D69-R408 IonicContact OD1-CZ 3.05Å; D69-R408 IonicContact OD1-NH1 3.54Å; D69-R408 PolarHBondContact OD1-NH1 2.99Å; D69-R408 IonicContact OD1-NH2 3.26Å; D69-R408 PolarHBondContact OD1-NH2 3.41Å; D69-R408 IonicContact OD2-CZ 2.72Å; D69-R408 IonicContact OD2-NH1 2.72Å; D69-R408 PolarHBondContact OD2-NH1 3.34Å; D69-R408 IonicContact OD2-NH2 3.38Å; D406-R408 VanDerWaalsContact CG-NE 3.34Å; D406-R408 PolarHBondContact O-N 3Å; D406-R408 VanDerWaalsContact OD1-CB 3.24Å; D406-R408 WeakPolarHBondContact OD1-CB 3.28Å; D406-R408 VanDerWaalsContact OD1-CG 3.22Å; D406-R408 WeakPolarHBondContact OD1-CG 3.29Å; D406-R408 PolarHBondContact OD1-N 2.89Å; D406-R408 IonicContact OD1-NE 2.94Å; D406-R408 PolarHBondContact OD1-NE 2.78Å; D406-R408 IonicContact OD2-CZ 3.62Å; D406-R408 IonicContact OD2-NE 2.63Å; D406-R408 PolarHBondContact OD2-NE 3.16Å; D406-R408 IonicContact OD2-NH2 2.71Å; D406-R408 PolarHBondContact OD2-NH2 2.88Å
409Y95.6Very high96.7Very high66 Ų6639.6 Ų39.626%0.25921%0.209SC..THydrogen-bonded Turntrans-113.2-18.8-178.5-49.9-60.5000112.9P86 L403 D406 P407 N430 A433P86-Y409 VanDerWaalsContact CD-OH 3.24Å; P86-Y409 WeakPolarHBondContact CD-OH 3.33Å; P86-Y409 HydrophobicContact CG-CE1 4.09Å; P86-Y409 HydrophobicContact CG-CE2 4.49Å; P86-Y409 WeakPolarHBondContact CG-OH 3.4Å; L403-Y409 HydrophobicContact CD2-CE2 4.18Å; D406-Y409 HydrophobicContact CB-CD2 3.87Å; D406-Y409 HydrophobicContact CB-CE2 4.29Å; D406-Y409 PolarHBondContact O-N 3.38Å; P407-Y409 VanDerWaalsContact C-N 3.27Å; P407-Y409 PolarHBondContact O-N 3.3Å; Y409-N430 HydrophobicContact CD1-CB 4.21Å; Y409-A433 HydrophobicContact CD1-CB 4.1Å; Y409-A433 HydrophobicContact CD2-CB 3.46Å; Y409-A433 VanDerWaalsContact CD2-CB 3.46Å; Y409-A433 HydrophobicContact CE2-CB 4.07Å; Y409-A433 HydrophobicContact CG-CB 3.51Å
410W95.9Very high96.6Very high9 Ų940.8 Ų40.83%0.03421%0.213CC..SBendtrans-133114.4-172.1-48.4102.1000111.9R367 L403 H404 D406 S412 P413 F421 L429 Y434R367-W410 VanDerWaalsContact CD-CZ3 3.44Å; R367-W410 HydrophobicContact CG-CD2 4.47Å; R367-W410 HydrophobicContact CG-CH2 4.15Å; R367-W410 HydrophobicContact CG-CZ2 4.03Å; R367-W410 HydrophobicContact CG-CZ3 4.44Å; L403-W410 VanDerWaalsContact O-CD1 3.3Å; L403-W410 PolarHBondContact O-NE1 3.01Å; H404-W410 VanDerWaalsContact O-CD1 3.29Å; H404-W410 PolarHBondContact O-NE1 3.43Å; D406-W410 VanDerWaalsContact O-CD1 3.22Å; D406-W410 PolarHBondContact O-N 3.16Å; W410-S412 PolarHBondContact O-N 3.49Å; W410-P413 HydrophobicContact CB-CB 4.05Å; W410-P413 WeakPolarHBondContact O-CD 3.39Å; W410-F421 HydrophobicContact CH2-CE1 4.29Å; W410-F421 AromaticContact CH2-CZ 3.83Å; W410-F421 HydrophobicContact CH2-CZ 3.83Å; W410-F421 HydrophobicContact CZ3-CE1 4.49Å; W410-F421 HydrophobicContact CZ3-CE2 4.43Å; W410-F421 AromaticContact CZ3-CZ 3.91Å; W410-F421 HydrophobicContact CZ3-CZ 3.91Å; W410-L429 HydrophobicContact CH2-CD2 4.09Å; W410-L429 HydrophobicContact CZ3-CD2 3.68Å; W410-Y434 AromaticContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CG 4.08Å; W410-Y434 HydrophobicContact CZ2-CD2 4.2Å; W410-Y434 HydrophobicContact CZ2-CG 4.38Å
411S93.8Very high96.6Very high86 Ų8642.2 Ų42.260%0.60122%0.22SC*.SBendtrans-69.5121.4176.557.80000111.7R420S411-R420 PolarHBondContact O-NH1 3.28Å; S411-R420 PolarHBondContact O-NH2 3.34Å; S411-R420 PolarHBondContact OG-NH1 3.48Å
412S95.3Very high96.5Very high67 Ų6742 Ų4247%0.46922%0.22SC..SBendtrans55.663.3-170.9-46.30000112.2W410 E414 S415 R420W410-S412 PolarHBondContact O-N 3.49Å; S412-E414 PolarHBondContact O-N 3.13Å; S412-S415 PolarHBondContact O-N 2.82Å; S412-S415 VanDerWaalsContact O-N 3.07Å; S412-R420 PolarHBondContact O-NH2 3.23Å
413P96.1Very high96.2Very high23 Ų2348 Ų4815%0.14925%0.246CC..THydrogen-bonded Turntrans-63.1-19.9-167.323.9-33.3000114.5R367 K405 P407 W410R367-P413 PolarHBondContact NH1-O 2.88Å; R367-P413 PolarHBondContact NH2-O 3.43Å; K405-P413 HydrophobicContact CB-CB 4.49Å; K405-P413 WeakPolarHBondContact CD-O 3.45Å; K405-P413 WeakPolarHBondContact O-CB 3.47Å; K405-P413 WeakPolarHBondContact O-CG 3.43Å; P407-P413 HydrophobicContact CB-CG 4.35Å; W410-P413 HydrophobicContact CB-CB 4.05Å; W410-P413 WeakPolarHBondContact O-CD 3.39Å
414E95.6Very high95.9Very high97 Ų9755.1 Ų55.145%0.45328%0.279SS..THydrogen-bonded Turntrans-88.1-11.7180-57.2-62178.100113.8R61 M368 K405 S412R61-E414 IonicContact CZ-OE1 2.67Å; R61-E414 VanDerWaalsContact CZ-OE1 3.23Å; R61-E414 IonicContact NH1-OE1 3.79Å; R61-E414 PolarHBondContact NH1-OE1 3.38Å; R61-E414 IonicContact NH2-OE1 3.97Å; R61-E414 PolarHBondContact NH2-OE1 3.25Å; M368-E414 VanDerWaalsContact CE-O 3.29Å; M368-E414 WeakPolarHBondContact CE-O 3.5Å; K405-E414 IonicContact NZ-OE2 3.97Å; K405-E414 PolarHBondContact NZ-OE2 3.22Å; S412-E414 PolarHBondContact O-N 3.13Å
415S96.7Very high95.4Very high52 Ų5258.1 Ų58.136%0.36430%0.295SS..SBendtrans-86.7137.3177.4-54.60000111R367 S412 K417R367-S415 PolarHBondContact NH2-O 3.48Å; R367-S415 VanDerWaalsContact NH2-O 3.16Å; S412-S415 PolarHBondContact O-N 2.82Å; S412-S415 VanDerWaalsContact O-N 3.07Å; S415-K417 PolarHBondContact O-N 3.3Å
416F98.1Very high94.8Very high15 Ų1563.9 Ų63.97%0.06632%0.322CS..  trans-77107.4172.5-165.7-89.6000109.6N322 N326 V329 V361 E364 M368 P418N322-F416 HydrophobicContact CB-CD2 3.9Å; N322-F416 HydrophobicContact CB-CE2 3.49Å; N322-F416 VanDerWaalsContact CB-CE2 3.49Å; N322-F416 HydrophobicContact CB-CZ 4.09Å; N326-F416 HydrophobicContact CB-CD1 4.28Å; N326-F416 WeakPolarHBondContact OD1-CB 3.27Å; V329-F416 HydrophobicContact CG1-CD1 4.34Å; V329-F416 HydrophobicContact CG1-CE1 3.91Å; V329-F416 HydrophobicContact CG2-CD1 4.24Å; V361-F416 HydrophobicContact CG1-CZ 4.28Å; E364-F416 HydrophobicContact CB-CE1 4.49Å; E364-F416 HydrophobicContact CB-CE2 4.18Å; E364-F416 HydrophobicContact CB-CZ 4.05Å; E364-F416 HydrophobicContact CG-CD1 4.18Å; E364-F416 HydrophobicContact CG-CD2 3.82Å; E364-F416 HydrophobicContact CG-CE1 4.16Å; E364-F416 HydrophobicContact CG-CE2 3.75Å; E364-F416 HydrophobicContact CG-CG 3.99Å; E364-F416 HydrophobicContact CG-CZ 3.93Å; M368-F416 HydrophobicContact CB-CD2 4.47Å; M368-F416 HydrophobicContact CG-CD2 3.81Å; M368-F416 HydrophobicContact CG-CE2 4.37Å; F416-P418 HydrophobicContact CD1-CG 4.1Å; F416-P418 HydrophobicContact CE1-CG 3.68Å
417K97.4Very high94.2Very high81 Ų8173 Ų7335%0.35236%0.362SS..  trans-134.291-178.9-61.3-174-177.9179.30110.6E364 S415 E419 R420E364-K417 PolarHBondContact OE1-N 3.43Å; S415-K417 PolarHBondContact O-N 3.3Å; K417-E419 PolarHBondContact O-N 2.93Å; K417-E419 VanDerWaalsContact O-N 3.17Å; K417-R420 HydrophobicContact CB-CG 4.28Å; K417-R420 VanDerWaalsContact O-CG 3.31Å; K417-R420 WeakPolarHBondContact O-CG 3.37Å; K417-R420 PolarHBondContact O-N 3.01Å
418P98.1Very high93.6Very high0 Ų074.4 Ų74.40%036%0.364CS..G310 helixtrans-52.2-34.5177.9-28.236.1000113.8V329 Y357 Q360 V361 F416 R420 F421V329-P418 HydrophobicContact CG1-CG 3.54Å; V329-P418 HydrophobicContact CG2-CG 4.22Å; Y357-P418 HydrophobicContact CE2-CB 3.94Å; Q360-P418 HydrophobicContact CB-CB 3.81Å; Q360-P418 WeakPolarHBondContact CB-O 3.33Å; V361-P418 HydrophobicContact CG2-CB 3.99Å; V361-P418 HydrophobicContact CG2-CG 3.74Å; F416-P418 HydrophobicContact CD1-CG 4.1Å; F416-P418 HydrophobicContact CE1-CG 3.68Å; P418-R420 PolarHBondContact O-N 3.07Å; P418-F421 PolarHBondContact O-N 2.9Å
419E96.6Very high93.3Very high81 Ų8170.8 Ų70.838%0.37935%0.354SS..G310 helixtrans-60.4-16.2-173.3-59.971.4-154.300112.7Y357 K417 F421 S422 N425Y357-E419 WeakPolarHBondContact CE2-OE1 3.39Å; Y357-E419 PolarHBondContact OH-OE1 2.92Å; K417-E419 PolarHBondContact O-N 2.93Å; K417-E419 VanDerWaalsContact O-N 3.17Å; E419-F421 PolarHBondContact O-N 3.43Å; E419-S422 VanDerWaalsContact O-CB 3.29Å; E419-S422 WeakPolarHBondContact O-CB 3.42Å; E419-S422 PolarHBondContact O-N 3.17Å; E419-S422 VanDerWaalsContact O-N 3.11Å; E419-S422 PolarHBondContact O-OG 3.4Å; E419-N425 PolarHBondContact O-ND2 2.8Å
420R95.7Very high93.2Very high24 Ų2469.9 Ų69.99%0.09135%0.353CS..G310 helixtrans-56.9-31170.1-65.8178-163.5-71-0.6113.2E364 S411 S412 K417 P418 N425E364-R420 IonicContact OE1-NE 2.99Å; E364-R420 PolarHBondContact OE1-NE 2.93Å; E364-R420 IonicContact OE2-NE 3.76Å; S411-R420 PolarHBondContact O-NH1 3.28Å; S411-R420 PolarHBondContact O-NH2 3.34Å; S411-R420 PolarHBondContact OG-NH1 3.48Å; S412-R420 PolarHBondContact O-NH2 3.23Å; K417-R420 HydrophobicContact CB-CG 4.28Å; K417-R420 VanDerWaalsContact O-CG 3.31Å; K417-R420 WeakPolarHBondContact O-CG 3.37Å; K417-R420 PolarHBondContact O-N 3.01Å; P418-R420 PolarHBondContact O-N 3.07Å; R420-N425 WeakPolarHBondContact O-CB 3.44Å
421F96.8Very high93.1Very high30 Ų3072.8 Ų72.813%0.13237%0.373CS..G310 helixtrans-98.614.6-178.1-65.7-81000112.1Q360 C363 E364 R367 W410 P418 E419 L429 Y434Q360-F421 HydrophobicContact CB-CB 4.37Å; Q360-F421 HydrophobicContact CG-CB 4.12Å; C363-F421 HydrophobicContact CB-CB 4.1Å; C363-F421 HydrophobicContact CB-CD1 3.64Å; C363-F421 HydrophobicContact CB-CD2 3.65Å; C363-F421 HydrophobicContact CB-CE1 3.91Å; C363-F421 HydrophobicContact CB-CE2 3.92Å; C363-F421 HydrophobicContact CB-CG 3.5Å; C363-F421 HydrophobicContact CB-CZ 4.04Å; E364-F421 HydrophobicContact CB-CD2 4.15Å; E364-F421 HydrophobicContact CB-CE2 4.12Å; E364-F421 WeakPolarHBondContact OE2-CE2 3.48Å; R367-F421 HydrophobicContact CB-CE2 4.34Å; R367-F421 HydrophobicContact CB-CZ 4.26Å; W410-F421 HydrophobicContact CH2-CE1 4.29Å; W410-F421 AromaticContact CH2-CZ 3.83Å; W410-F421 HydrophobicContact CH2-CZ 3.83Å; W410-F421 HydrophobicContact CZ3-CE1 4.49Å; W410-F421 HydrophobicContact CZ3-CE2 4.43Å; W410-F421 AromaticContact CZ3-CZ 3.91Å; W410-F421 HydrophobicContact CZ3-CZ 3.91Å; P418-F421 PolarHBondContact O-N 2.9Å; E419-F421 PolarHBondContact O-N 3.43Å; F421-L429 HydrophobicContact CD1-CD1 3.73Å; F421-L429 HydrophobicContact CE1-CD1 4.06Å; F421-L429 HydrophobicContact CE1-CD2 4.44Å; F421-Y434 HydrophobicContact CD1-CE1 4.46Å; F421-Y434 AromaticContact CE1-CD1 3.78Å; F421-Y434 HydrophobicContact CE1-CD1 3.78Å; F421-Y434 HydrophobicContact CE1-CD2 4.02Å; F421-Y434 AromaticContact CE1-CE1 3.61Å; F421-Y434 HydrophobicContact CE1-CE1 3.61Å; F421-Y434 AromaticContact CE1-CE2 3.88Å; F421-Y434 HydrophobicContact CE1-CE2 3.88Å; F421-Y434 AromaticContact CE1-CG 3.97Å; F421-Y434 HydrophobicContact CE1-CG 3.97Å; F421-Y434 AromaticContact CE1-CZ 3.65Å; F421-Y434 HydrophobicContact CZ-CD1 4.37Å; F421-Y434 AromaticContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CE1 4.17Å; F421-Y434 AromaticContact CZ-CE2 3.54Å; F421-Y434 HydrophobicContact CZ-CE2 3.54Å; F421-Y434 HydrophobicContact CZ-CG 4.17Å; F421-Y434 AromaticContact CZ-CZ 3.75Å
422S95.6Very high93.2Very high11 Ų1170.5 Ų70.58%0.07735%0.352CS..SBendtrans-67.5157.4171.886.40000110.7E419 E424 N425 E426E419-S422 VanDerWaalsContact O-CB 3.29Å; E419-S422 WeakPolarHBondContact O-CB 3.42Å; E419-S422 PolarHBondContact O-N 3.17Å; E419-S422 VanDerWaalsContact O-N 3.11Å; E419-S422 PolarHBondContact O-OG 3.4Å; S422-E424 WeakPolarHBondContact CB-OE2 3.45Å; S422-E424 PolarHBondContact O-N 2.94Å; S422-E424 PolarHBondContact OG-OE2 3.3Å; S422-N425 PolarHBondContact O-N 3.16Å; S422-N425 VanDerWaalsContact O-N 3.09Å; S422-N425 PolarHBondContact OG-ND2 3.06Å; S422-E426 PolarHBondContact O-N 3.2Å
423K91.9Very high93.2Very high126 Ų12667.3 Ų67.355%0.54833%0.329SS..THydrogen-bonded Turntrans-60.1-30.1179.9-70.2175.2-179.4156.90112.4E356 N425E356-K423 IonicContact OE1-NZ 3.24Å; E356-K423 PolarHBondContact OE1-NZ 3.32Å; E356-K423 WeakPolarHBondContact OE2-CE 3.22Å; E356-K423 IonicContact OE2-NZ 3.8Å; E356-K423 PolarHBondContact OE2-NZ 2.81Å; K423-N425 VanDerWaalsContact C-N 3.33Å
424E90.9Very high93.3Very high151 Ų15168.2 Ų68.271%0.70633%0.33SS*.THydrogen-bonded Turntrans-66.8-36.2178-58.673.9-15800111.9S422S422-E424 WeakPolarHBondContact CB-OE2 3.45Å; S422-E424 PolarHBondContact O-N 2.94Å; S422-E424 PolarHBondContact OG-OE2 3.3Å
425N89.4Confident93.4Very high62 Ų6263.7 Ų63.733%0.33231%0.309SS..THydrogen-bonded Turntrans-93.6-4.5-176.1-66.7-33.7000113.4E419 R420 S422 K423 K427 D428E419-N425 PolarHBondContact O-ND2 2.8Å; R420-N425 WeakPolarHBondContact O-CB 3.44Å; S422-N425 PolarHBondContact O-N 3.16Å; S422-N425 VanDerWaalsContact O-N 3.09Å; S422-N425 PolarHBondContact OG-ND2 3.06Å; K423-N425 VanDerWaalsContact C-N 3.33Å; N425-K427 PolarHBondContact O-N 3.06Å; N425-K427 VanDerWaalsContact O-N 3.14Å; N425-D428 PolarHBondContact O-N 3.49Å
426E84Confident93.4Very high133 Ų13361.9 Ų61.962%0.62130%0.296SS*.G310 helixtrans-55.6-35.8-175.1-172.2179.1-176.400113S422 D428 L429S422-E426 PolarHBondContact O-N 3.2Å; E426-D428 VanDerWaalsContact C-N 3.26Å; E426-D428 PolarHBondContact O-N 2.67Å; E426-L429 PolarHBondContact O-N 3.35Å
427K82.9Confident93.3Very high197 Ų19763 Ų6386%0.85730%0.301SS*.G310 helixtrans-68.4-23.6-179.6-66.1179.3-177.3172.70113.7N425N425-K427 PolarHBondContact O-N 3.06Å; N425-K427 VanDerWaalsContact O-N 3.14Å
428D83.5Confident93.3Very high130 Ų13059.6 Ų59.670%0.69529%0.288SS*.G310 helixtrans-88.8-9.6-178.4-62.5-27.3000111.9N425 E426 N430N425-D428 PolarHBondContact O-N 3.49Å; E426-D428 VanDerWaalsContact C-N 3.26Å; E426-D428 PolarHBondContact O-N 2.67Å; D428-N430 PolarHBondContact O-N 3.2Å
429L90.3Very high93.2Very high46 Ų4661.3 Ų61.324%0.24130%0.297CS..  trans-76.9119178.8-63.2178000110.8W410 F421 E426 P431W410-L429 HydrophobicContact CH2-CD2 4.09Å; W410-L429 HydrophobicContact CZ3-CD2 3.68Å; F421-L429 HydrophobicContact CD1-CD1 3.73Å; F421-L429 HydrophobicContact CE1-CD1 4.06Å; F421-L429 HydrophobicContact CE1-CD2 4.44Å; E426-L429 PolarHBondContact O-N 3.35Å; L429-P431 VanDerWaalsContact O-CD 3.28Å; L429-P431 WeakPolarHBondContact O-CD 3.44Å
430N93.2Very high93.3Very high47 Ų4758.6 Ų58.625%0.25129%0.291SS..  trans-77.9113.9168.3-173.1-31.8000109.5Y409 D428 Y432 A433 Y434Y409-N430 HydrophobicContact CD1-CB 4.21Å; D428-N430 PolarHBondContact O-N 3.2Å; N430-Y432 PolarHBondContact O-N 2.87Å; N430-Y432 VanDerWaalsContact O-N 3.12Å; N430-Y432 WeakPolarHBondContact OD1-CA 3.46Å; N430-Y432 WeakPolarHBondContact OD1-CB 2.98Å; N430-Y432 PolarHBondContact OD1-N 2.98Å; N430-A433 HydrophobicContact CB-CB 3.92Å; N430-A433 PolarHBondContact O-N 3.43Å; N430-Y434 PolarHBondContact O-N 2.79Å
431P93.1Very high93.4Very high69 Ų6959 Ų5945%0.44830%0.297SS..THydrogen-bonded Turntrans-65.4-19.5-177.627.4-35.2000112.7L429 L439L429-P431 VanDerWaalsContact O-CD 3.28Å; L429-P431 WeakPolarHBondContact O-CD 3.44Å; P431-L439 VanDerWaalsContact O-CD1 3.25Å; P431-L439 WeakPolarHBondContact O-CD1 3.11Å
432Y96.3Very high93.4Very high39 Ų3957.8 Ų57.815%0.15329%0.291CS..THydrogen-bonded Turntrans-935.3175.3-48-74.6000112.8I89 K90 V94 N430 M435 L439I89-Y432 HydrophobicContact CG2-CD1 4.22Å; K90-Y432 HydrophobicContact CB-CD1 3.82Å; K90-Y432 HydrophobicContact CB-CD2 4.21Å; K90-Y432 HydrophobicContact CB-CE1 3.53Å; K90-Y432 HydrophobicContact CB-CE2 3.94Å; K90-Y432 HydrophobicContact CB-CG 4.16Å; K90-Y432 HydrophobicContact CD-CD2 4.49Å; K90-Y432 HydrophobicContact CD-CE1 4.33Å; K90-Y432 HydrophobicContact CD-CE2 3.63Å; K90-Y432 WeakPolarHBondContact CD-OH 3.42Å; K90-Y432 WeakPolarHBondContact CE-OH 3.21Å; K90-Y432 HydrophobicContact CG-CD1 4.5Å; K90-Y432 HydrophobicContact CG-CE1 3.73Å; K90-Y432 HydrophobicContact CG-CE2 3.97Å; K90-Y432 VanDerWaalsContact CG-CZ 3.41Å; K90-Y432 WeakPolarHBondContact CG-OH 3.35Å; V94-Y432 HydrophobicContact CG2-CE1 4.16Å; N430-Y432 PolarHBondContact O-N 2.87Å; N430-Y432 VanDerWaalsContact O-N 3.12Å; N430-Y432 WeakPolarHBondContact OD1-CA 3.46Å; N430-Y432 WeakPolarHBondContact OD1-CB 2.98Å; N430-Y432 PolarHBondContact OD1-N 2.98Å; Y432-M435 WeakPolarHBondContact O-CE 2.95Å; Y432-L439 HydrophobicContact CD1-CD1 3.55Å; Y432-L439 HydrophobicContact CE1-CD1 4.07Å; Y432-L439 HydrophobicContact CG-CD1 4.42Å
433A96.1Very high93.5Very high0 Ų059.1 Ų59.10%030%0.298CS..THydrogen-bonded Turntrans-107.7-13.2166.200000112.7H404 Y409 N430H404-A433 PolarHBondContact CD2-O 2.93Å; Y409-A433 HydrophobicContact CD1-CB 4.1Å; Y409-A433 HydrophobicContact CD2-CB 3.46Å; Y409-A433 VanDerWaalsContact CD2-CB 3.46Å; Y409-A433 HydrophobicContact CE2-CB 4.07Å; Y409-A433 HydrophobicContact CG-CB 3.51Å; N430-A433 HydrophobicContact CB-CB 3.92Å; N430-A433 PolarHBondContact O-N 3.43Å
434Y97.3Very high93.8Very high41 Ų4155.5 Ų55.516%0.16129%0.288CS..  trans-125.5104.3176.6-177.2-112.8000111.3C363 R367 H404 W410 F421 N430 P436C363-Y434 WeakPolarHBondContact CA-OH 3.48Å; C363-Y434 VanDerWaalsContact CB-OH 3.26Å; C363-Y434 WeakPolarHBondContact CB-OH 3.24Å; C363-Y434 PolarHBondContact O-OH 3.2Å; C363-Y434 VanDerWaalsContact O-OH 3.12Å; C363-Y434 PolarHBondContact SG-OH 2.67Å; R367-Y434 HydrophobicContact CB-CD2 4.23Å; R367-Y434 HydrophobicContact CB-CE2 3.94Å; R367-Y434 HydrophobicContact CG-CD2 4.38Å; H404-Y434 AromaticContact NE2-CD2 3.96Å; W410-Y434 AromaticContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CD2 3.98Å; W410-Y434 HydrophobicContact CH2-CG 4.08Å; W410-Y434 HydrophobicContact CZ2-CD2 4.2Å; W410-Y434 HydrophobicContact CZ2-CG 4.38Å; F421-Y434 HydrophobicContact CD1-CE1 4.46Å; F421-Y434 AromaticContact CE1-CD1 3.78Å; F421-Y434 HydrophobicContact CE1-CD1 3.78Å; F421-Y434 HydrophobicContact CE1-CD2 4.02Å; F421-Y434 AromaticContact CE1-CE1 3.61Å; F421-Y434 HydrophobicContact CE1-CE1 3.61Å; F421-Y434 AromaticContact CE1-CE2 3.88Å; F421-Y434 HydrophobicContact CE1-CE2 3.88Å; F421-Y434 AromaticContact CE1-CG 3.97Å; F421-Y434 HydrophobicContact CE1-CG 3.97Å; F421-Y434 AromaticContact CE1-CZ 3.65Å; F421-Y434 HydrophobicContact CZ-CD1 4.37Å; F421-Y434 AromaticContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CD2 3.76Å; F421-Y434 HydrophobicContact CZ-CE1 4.17Å; F421-Y434 AromaticContact CZ-CE2 3.54Å; F421-Y434 HydrophobicContact CZ-CE2 3.54Å; F421-Y434 HydrophobicContact CZ-CG 4.17Å; F421-Y434 AromaticContact CZ-CZ 3.75Å; N430-Y434 PolarHBondContact O-N 2.79Å; Y434-P436 HydrophobicContact CE1-CG 4.05Å; Y434-P436 HydrophobicContact CE2-CG 3.87Å
435M97.2Very high94Very high2 Ų249.7 Ų49.71%0.0126%0.262CS..  trans-144.951.6-173.364.6-172.980.700114.3I89 L93 L375 I398 V400 L403 H404 Y432 F437 G438 L439I89-M435 HydrophobicContact CG2-CE 3.99Å; L93-M435 HydrophobicContact CD1-SD 4.11Å; L375-M435 HydrophobicContact CD1-CG 3.99Å; L375-M435 HydrophobicContact CD1-SD 3.61Å; I398-M435 HydrophobicContact CG2-CE 4.36Å; I398-M435 HydrophobicContact CG2-SD 3.81Å; V400-M435 HydrophobicContact CB-CG 4.39Å; V400-M435 HydrophobicContact CG1-CG 3.94Å; V400-M435 HydrophobicContact CG2-CG 3.76Å; V400-M435 HydrophobicContact CG2-SD 4.07Å; L403-M435 HydrophobicContact CD1-CE 3.93Å; H404-M435 PolarHBondContact NE2-N 3.36Å; Y432-M435 WeakPolarHBondContact O-CE 2.95Å; M435-F437 PolarHBondContact O-N 2.66Å; M435-F437 VanDerWaalsContact O-N 3.1Å; M435-G438 PolarHBondContact O-N 3.44Å; M435-L439 HydrophobicContact CB-CD1 4.08Å; M435-L439 HydrophobicContact CB-CD2 4.47Å; M435-L439 HydrophobicContact CB-CG 3.88Å; M435-L439 HydrophobicContact CE-CD1 4.25Å
436P96.5Very high94.3Very high15 Ų1547.3 Ų47.310%0.09725%0.252CS..THydrogen-bonded Turntrans-60.6-26.5-176.726-35.3000114Q366 Y434Q366-P436 HydrophobicContact CB-CB 3.72Å; Q366-P436 HydrophobicContact CB-CG 4.01Å; Q366-P436 HydrophobicContact CG-CB 4.3Å; Y434-P436 HydrophobicContact CE1-CG 4.05Å; Y434-P436 HydrophobicContact CE2-CG 3.87Å
437F97.5Very high95Very high39 Ų3943.8 Ų43.817%0.17124%0.237CC..THydrogen-bonded Turntrans-105.410.2175.8-66.3-79.8000113.3F362 M435 C444 M447 I451F362-F437 HydrophobicContact CE1-CE2 4.21Å; F362-F437 HydrophobicContact CE1-CZ 4.31Å; F362-F437 HydrophobicContact CZ-CZ 4.36Å; M435-F437 PolarHBondContact O-N 2.66Å; M435-F437 VanDerWaalsContact O-N 3.1Å; F437-C444 HydrophobicContact CB-CB 3.93Å; F437-C444 HydrophobicContact CD1-CB 3.9Å; F437-C444 HydrophobicContact CG-CB 4.41Å; F437-C444 PolarHBondContact O-N 3.5Å; F437-M447 HydrophobicContact CB-CB 4.27Å; F437-M447 HydrophobicContact CB-CG 3.94Å; F437-M447 HydrophobicContact CB-SD 3.66Å; F437-M447 HydrophobicContact CD1-CB 3.97Å; F437-M447 HydrophobicContact CD1-CG 3.85Å; F437-M447 HydrophobicContact CD2-CG 3.69Å; F437-M447 HydrophobicContact CD2-SD 3.89Å; F437-M447 HydrophobicContact CE1-CG 4.27Å; F437-M447 HydrophobicContact CE2-CG 4.15Å; F437-M447 HydrophobicContact CG-CB 4.05Å; F437-M447 HydrophobicContact CG-CG 3.54Å; F437-M447 HydrophobicContact CG-SD 3.84Å; F437-M447 HydrophobicContact CZ-CG 4.41Å; F437-I451 HydrophobicContact CE2-CD1 4.02Å; F437-I451 HydrophobicContact CE2-CG1 4.15Å; F437-I451 HydrophobicContact CZ-CD1 4.32Å; F437-I451 HydrophobicContact CZ-CG1 4.01Å
438G97.1Very high95.6Very high8 Ų839.2 Ų39.28%0.08221%0.214CC..  trans67.7179.8-169.100000113.8M435M435-G438 PolarHBondContact O-N 3.44Å
439L96.4Very high96.2Very high36 Ų3633.6 Ų33.619%0.18818%0.183CC..  trans-130.2165.5-176.9-61.8170000112L93 P431 Y432 M435L93-L439 HydrophobicContact CB-CB 4.32Å; L93-L439 HydrophobicContact CD1-CB 4.01Å; L93-L439 HydrophobicContact CD1-CD1 4.37Å; P431-L439 VanDerWaalsContact O-CD1 3.25Å; P431-L439 WeakPolarHBondContact O-CD1 3.11Å; Y432-L439 HydrophobicContact CD1-CD1 3.55Å; Y432-L439 HydrophobicContact CE1-CD1 4.07Å; Y432-L439 HydrophobicContact CG-CD1 4.42Å; M435-L439 HydrophobicContact CB-CD1 4.08Å; M435-L439 HydrophobicContact CB-CD2 4.47Å; M435-L439 HydrophobicContact CB-CG 3.88Å; M435-L439 HydrophobicContact CE-CD1 4.25Å
440G97.3Very high96.5Very high24 Ų2431.8 Ų31.825%0.24718%0.175CC..SBendtrans69.3-167.6175.500000114.1L93 R442 N443L93-G440 WeakPolarHBondContact O-CA 3.37Å; G440-R442 PolarHBondContact O-N 2.63Å; G440-N443 WeakPolarHBondContact O-CB 3.47Å; G440-N443 PolarHBondContact O-N 3.07Å; G440-N443 VanDerWaalsContact O-N 3.13Å
441P97.8Very high96.7Very high34 Ų3431.4 Ų31.422%0.22117%0.173CC..THydrogen-bonded Turntrans-56.1-25.7-173.2-30.737.9000115.8C97 Y98 W126C97-P441 HydrophobicContact CB-CG 4.12Å; Y98-P441 HydrophobicContact CD2-CG 4.43Å; Y98-P441 HydrophobicContact CE1-CB 3.9Å; Y98-P441 HydrophobicContact CE1-CG 4.26Å; Y98-P441 HydrophobicContact CE2-CB 4.17Å; Y98-P441 HydrophobicContact CE2-CG 3.67Å; Y98-P441 WeakPolarHBondContact OH-CB 3.5Å; W126-P441 HydrophobicContact CH2-CB 3.89Å; W126-P441 WeakPolarHBondContact CZ2-O 3.43Å
442R97.2Very high96.9Very high3 Ų328.4 Ų28.41%0.01115%0.153CC..THydrogen-bonded Turntrans-109.228.5-176.6-157.4162.2-175156.53.2113.2T102 N103 R104 V121 W126 R377 G440T102-R442 WeakPolarHBondContact O-CD 3.32Å; T102-R442 PolarHBondContact O-NE 3.4Å; T102-R442 PolarHBondContact O-NH1 2.86Å; N103-R442 PolarHBondContact OD1-NH1 2.75Å; R104-R442 PolarHBondContact NH2-O 3.26Å; V121-R442 PolarHBondContact O-NH2 3.41Å; W126-R442 VanDerWaalsContact CD1-CZ 3.41Å; W126-R442 VanDerWaalsContact CG-CZ 3.44Å; W126-R442 HydrophobicContact CH2-CB 3.91Å; W126-R442 HydrophobicContact CH2-CG 4.24Å; W126-R442 HydrophobicContact CZ2-CB 3.5Å; W126-R442 HydrophobicContact CZ2-CG 3.47Å; W126-R442 VanDerWaalsContact CZ2-CG 3.47Å; R377-R442 PolarHBondContact NH2-O 2.86Å; G440-R442 PolarHBondContact O-N 2.63Å
443N97.6Very high97Very high39 Ų3926.6 Ų26.621%0.20915%0.146CC..SBendtrans-67.9175.4167.277.3-17000112.1R130 G440 V445R130-N443 PolarHBondContact NH1-O 2.83Å; R130-N443 PolarHBondContact NH2-O 3.42Å; R130-N443 PolarHBondContact NH2-OD1 3.48Å; G440-N443 WeakPolarHBondContact O-CB 3.47Å; G440-N443 PolarHBondContact O-N 3.07Å; G440-N443 VanDerWaalsContact O-N 3.13Å; N443-V445 PolarHBondContact O-N 3.01Å
444C97.7Very high97.1Very high50 Ų5026.7 Ų26.734%0.33815%0.147SC..  trans-58.7122.6176.2-175.30000111.3F437 G446 M447F437-C444 HydrophobicContact CB-CB 3.93Å; F437-C444 HydrophobicContact CD1-CB 3.9Å; F437-C444 HydrophobicContact CG-CB 4.41Å; F437-C444 PolarHBondContact O-N 3.5Å; C444-G446 VanDerWaalsContact C-N 3.35Å; C444-M447 HydrophobicContact CB-CB 4.25Å
445V96.4Very high97.1Very high29 Ų2925.2 Ų25.218%0.17614%0.141CC..THydrogen-bonded Turntrans-68.5-37177.672.50000111.8R130 I133 F137 F304 N443 M447R130-V445 VanDerWaalsContact NH1-CB 3.32Å; I133-V445 HydrophobicContact CD1-CG1 4.37Å; I133-V445 HydrophobicContact CD1-CG2 4.27Å; I133-V445 HydrophobicContact CG1-CG2 4.26Å; F137-V445 HydrophobicContact CD2-CB 4.45Å; F137-V445 HydrophobicContact CD2-CG1 4.33Å; F137-V445 HydrophobicContact CD2-CG2 3.62Å; F137-V445 HydrophobicContact CE2-CB 4.45Å; F137-V445 HydrophobicContact CE2-CG1 3.87Å; F137-V445 HydrophobicContact CE2-CG2 3.88Å; F137-V445 WeakPolarHBondContact CG-O 3.27Å; F137-V445 HydrophobicContact CZ-CG1 4.34Å; F304-V445 HydrophobicContact CE1-CG1 4.44Å; N443-V445 PolarHBondContact O-N 3.01Å; V445-M447 PolarHBondContact O-N 2.75Å
446G95.9Very high97.1Very high12 Ų1225.2 Ų25.212%0.12414%0.141CC..THydrogen-bonded Turntrans-90.210.5-175.300000114.5C444 R448 Y449 A450C444-G446 VanDerWaalsContact C-N 3.35Å; G446-R448 VanDerWaalsContact C-N 3.33Å; G446-R448 PolarHBondContact O-N 2.86Å; G446-Y449 PolarHBondContact O-N 3.1Å; G446-Y449 VanDerWaalsContact O-N 3.16Å; G446-A450 WeakPolarHBondContact O-CB 3.32Å; G446-A450 PolarHBondContact O-N 2.71Å
447M97.1Very high97.2Very high60 Ų6024.5 Ų24.530%0.29614%0.136SC..Hα-helixtrans-49.2-51.8-174174.8177.473.400112.5F437 C444 V445 Y449 A450 I451F437-M447 HydrophobicContact CB-CB 4.27Å; F437-M447 HydrophobicContact CB-CG 3.94Å; F437-M447 HydrophobicContact CB-SD 3.66Å; F437-M447 HydrophobicContact CD1-CB 3.97Å; F437-M447 HydrophobicContact CD1-CG 3.85Å; F437-M447 HydrophobicContact CD2-CG 3.69Å; F437-M447 HydrophobicContact CD2-SD 3.89Å; F437-M447 HydrophobicContact CE1-CG 4.27Å; F437-M447 HydrophobicContact CE2-CG 4.15Å; F437-M447 HydrophobicContact CG-CB 4.05Å; F437-M447 HydrophobicContact CG-CG 3.54Å; F437-M447 HydrophobicContact CG-SD 3.84Å; F437-M447 HydrophobicContact CZ-CG 4.41Å; C444-M447 HydrophobicContact CB-CB 4.25Å; V445-M447 PolarHBondContact O-N 2.75Å; M447-Y449 PolarHBondContact O-N 3.02Å; M447-A450 PolarHBondContact O-N 3.04Å; M447-I451 HydrophobicContact CG-CD1 3.81Å; M447-I451 VanDerWaalsContact O-CG1 3.24Å; M447-I451 WeakPolarHBondContact O-CG1 3.47Å; M447-I451 PolarHBondContact O-N 3.45Å
448R96.6Very high97.3Very high101 Ų10122.6 Ų22.638%0.38113%0.128SC..Hα-helixtrans-68.1-38.2-176-62-178.764.1-167-2.7112.6S139 L142 G446 L452S139-R448 VanDerWaalsContact OG-CZ 3.27Å; S139-R448 PolarHBondContact OG-NH1 3.27Å; S139-R448 PolarHBondContact OG-NH2 3.34Å; L142-R448 HydrophobicContact CD1-CB 3.52Å; G446-R448 VanDerWaalsContact C-N 3.33Å; G446-R448 PolarHBondContact O-N 2.86Å; R448-L452 WeakPolarHBondContact O-CB 3.46Å; R448-L452 PolarHBondContact O-N 3.42Å; R448-L452 VanDerWaalsContact O-N 3.13Å
449Y95.9Very high97.3Very high11 Ų1122.2 Ų22.24%0.04312%0.124CC..Hα-helixtrans-64.3-48.5174.6170.7-99.7000111.3F137 L142 V145 V182 V183 A186 F267 G446 M447 I451 L452 V453F137-Y449 HydrophobicContact CD1-CG 4.46Å; F137-Y449 HydrophobicContact CE1-CG 4.36Å; L142-Y449 HydrophobicContact CD2-CD2 3.99Å; L142-Y449 HydrophobicContact CD2-CG 4.36Å; V145-Y449 HydrophobicContact CG1-CE2 4.01Å; V182-Y449 WeakPolarHBondContact CG1-OH 3.2Å; V182-Y449 PolarHBondContact O-OH 2.94Å; V183-Y449 WeakPolarHBondContact CA-OH 3.45Å; A186-Y449 HydrophobicContact CB-CE2 3.84Å; A186-Y449 WeakPolarHBondContact CB-OH 3.46Å; F267-Y449 HydrophobicContact CE2-CD2 4.43Å; F267-Y449 HydrophobicContact CE2-CE2 4.43Å; F267-Y449 HydrophobicContact CZ-CD2 4.02Å; F267-Y449 HydrophobicContact CZ-CE2 4.26Å; F267-Y449 HydrophobicContact CZ-CG 4.49Å; G446-Y449 PolarHBondContact O-N 3.1Å; G446-Y449 VanDerWaalsContact O-N 3.16Å; M447-Y449 PolarHBondContact O-N 3.02Å; Y449-I451 PolarHBondContact O-N 3.22Å; Y449-L452 WeakPolarHBondContact O-CB 3.45Å; Y449-L452 PolarHBondContact O-N 3.05Å; Y449-V453 HydrophobicContact CD1-CG2 4.42Å; Y449-V453 HydrophobicContact CD2-CG2 4.24Å; Y449-V453 HydrophobicContact CE1-CG2 4.04Å; Y449-V453 HydrophobicContact CE2-CG2 3.83Å; Y449-V453 WeakPolarHBondContact O-CG2 3.48Å; Y449-V453 PolarHBondContact O-N 3.2Å
450A97Very high97.3Very high9 Ų921 Ų217%0.07412%0.118CC..Hα-helixtrans-60.4-46.5-179.400000111G446 M447 L452 V453 M454G446-A450 WeakPolarHBondContact O-CB 3.32Å; G446-A450 PolarHBondContact O-N 2.71Å; M447-A450 PolarHBondContact O-N 3.04Å; A450-L452 VanDerWaalsContact C-N 3.32Å; A450-L452 PolarHBondContact O-N 2.72Å; A450-V453 PolarHBondContact O-N 2.93Å; A450-M454 VanDerWaalsContact C-CE 3.4Å; A450-M454 HydrophobicContact CB-CE 3.81Å; A450-M454 WeakPolarHBondContact O-CB 3.38Å; A450-M454 WeakPolarHBondContact O-CE 3.46Å; A450-M454 VanDerWaalsContact O-CG 3.24Å; A450-M454 WeakPolarHBondContact O-CG 3.43Å; A450-M454 PolarHBondContact O-N 3.28Å
451I97.6Very high97.3Very high39 Ų3919.8 Ų19.820%0.211%0.106CC..Hα-helixtrans-58-45.5176.6-68167.3000111F362 F437 M447 Y449 M454 K455F362-I451 HydrophobicContact CE1-CD1 4.46Å; F362-I451 HydrophobicContact CE1-CG1 3.78Å; F362-I451 HydrophobicContact CZ-CG1 4.18Å; F437-I451 HydrophobicContact CE2-CD1 4.02Å; F437-I451 HydrophobicContact CE2-CG1 4.15Å; F437-I451 HydrophobicContact CZ-CD1 4.32Å; F437-I451 HydrophobicContact CZ-CG1 4.01Å; M447-I451 HydrophobicContact CG-CD1 3.81Å; M447-I451 VanDerWaalsContact O-CG1 3.24Å; M447-I451 WeakPolarHBondContact O-CG1 3.47Å; M447-I451 PolarHBondContact O-N 3.45Å; Y449-I451 PolarHBondContact O-N 3.22Å; I451-M454 PolarHBondContact O-N 3.43Å; I451-K455 HydrophobicContact CG2-CD 3.84Å; I451-K455 VanDerWaalsContact CG2-CE 3.41Å; I451-K455 HydrophobicContact CG2-CG 4.17Å; I451-K455 VanDerWaalsContact O-CB 3.31Å; I451-K455 WeakPolarHBondContact O-CB 3.25Å; I451-K455 VanDerWaalsContact O-CG 3.3Å; I451-K455 WeakPolarHBondContact O-CG 3.09Å; I451-K455 PolarHBondContact O-N 2.91Å
452L96.9Very high97.3Very high5 Ų518.2 Ų18.23%0.02610%0.096CC..Hα-helixtrans-58-50.7178.2-175.475.2000112L142 F146 Y349 L352 R448 Y449 A450 M454 M456L142-L452 HydrophobicContact CB-CD2 4.26Å; F146-L452 HydrophobicContact CD2-CD1 3.88Å; F146-L452 HydrophobicContact CD2-CD2 4.15Å; F146-L452 HydrophobicContact CD2-CG 4.21Å; F146-L452 HydrophobicContact CE2-CD1 4.13Å; Y349-L452 HydrophobicContact CD2-CD1 3.97Å; Y349-L452 HydrophobicContact CE2-CD1 3.76Å; Y349-L452 HydrophobicContact CE2-CD2 4.33Å; L352-L452 HydrophobicContact CD2-CD1 3.9Å; R448-L452 WeakPolarHBondContact O-CB 3.46Å; R448-L452 PolarHBondContact O-N 3.42Å; R448-L452 VanDerWaalsContact O-N 3.13Å; Y449-L452 WeakPolarHBondContact O-CB 3.45Å; Y449-L452 PolarHBondContact O-N 3.05Å; A450-L452 VanDerWaalsContact C-N 3.32Å; A450-L452 PolarHBondContact O-N 2.72Å; L452-M454 PolarHBondContact O-N 3.25Å; L452-M456 PolarHBondContact O-N 3.09Å; L452-M456 VanDerWaalsContact O-N 3.09Å
453V97.3Very high97.2Very high2 Ų219.8 Ų19.81%0.01210%0.103CC..Hα-helixtrans-61.8-44.3-179.2172.50000111.2V149 F178 V182 T312 Y449 A450 L457V149-V453 HydrophobicContact CG1-CB 4.5Å; V149-V453 HydrophobicContact CG1-CG2 4.22Å; V149-V453 HydrophobicContact CG2-CG2 4.08Å; F178-V453 HydrophobicContact CE1-CG1 3.65Å; F178-V453 HydrophobicContact CZ-CG1 4Å; V182-V453 HydrophobicContact CB-CG1 4.48Å; V182-V453 HydrophobicContact CG1-CB 4.48Å; V182-V453 HydrophobicContact CG1-CG1 3.91Å; V182-V453 HydrophobicContact CG1-CG2 3.67Å; T312-V453 HydrophobicContact CG2-CG1 4.06Å; Y449-V453 HydrophobicContact CD1-CG2 4.42Å; Y449-V453 HydrophobicContact CD2-CG2 4.24Å; Y449-V453 HydrophobicContact CE1-CG2 4.04Å; Y449-V453 HydrophobicContact CE2-CG2 3.83Å; Y449-V453 WeakPolarHBondContact O-CG2 3.48Å; Y449-V453 PolarHBondContact O-N 3.2Å; A450-V453 PolarHBondContact O-N 2.93Å; V453-L457 PolarHBondContact O-N 3.24Å
454M98.3Very high97Very high2 Ų222.7 Ų22.71%0.0111%0.114CC..Hα-helixtrans-70.4-43.7-177.9-66.8-175.4-78.600112.5T312 T315 L316 F362 A450 I451 L452 M456 L457 I458T312-M454 HydrophobicContact CG2-CG 3.5Å; T312-M454 VanDerWaalsContact CG2-CG 3.5Å; T312-M454 HydrophobicContact CG2-SD 4.12Å; T315-M454 WeakPolarHBondContact CB-SD 3.31Å; T315-M454 HydrophobicContact CG2-CE 3.98Å; T315-M454 HydrophobicContact CG2-SD 3.3Å; T315-M454 WeakPolarHBondContact CG2-SD 3.5Å; L316-M454 HydrophobicContact CD1-CG 4.26Å; L316-M454 HydrophobicContact CD2-CB 3.92Å; L316-M454 HydrophobicContact CD2-CG 4.11Å; L316-M454 HydrophobicContact CG-CB 4.22Å; L316-M454 HydrophobicContact CG-CG 3.83Å; L316-M454 HydrophobicContact CG-SD 4.39Å; F362-M454 HydrophobicContact CE2-CB 4.04Å; F362-M454 HydrophobicContact CE2-CE 3.74Å; F362-M454 HydrophobicContact CE2-SD 3.94Å; F362-M454 HydrophobicContact CZ-CE 3.43Å; F362-M454 VanDerWaalsContact CZ-CE 3.43Å; F362-M454 HydrophobicContact CZ-SD 4.19Å; A450-M454 VanDerWaalsContact C-CE 3.4Å; A450-M454 HydrophobicContact CB-CE 3.81Å; A450-M454 WeakPolarHBondContact O-CB 3.38Å; A450-M454 WeakPolarHBondContact O-CE 3.46Å; A450-M454 VanDerWaalsContact O-CG 3.24Å; A450-M454 WeakPolarHBondContact O-CG 3.43Å; A450-M454 PolarHBondContact O-N 3.28Å; I451-M454 PolarHBondContact O-N 3.43Å; L452-M454 PolarHBondContact O-N 3.25Å; M454-M456 VanDerWaalsContact C-N 3.34Å; M454-M456 PolarHBondContact O-N 2.93Å; M454-L457 PolarHBondContact O-N 2.7Å; M454-I458 WeakPolarHBondContact O-CD1 3.39Å; M454-I458 VanDerWaalsContact O-CG1 3.26Å; M454-I458 WeakPolarHBondContact O-CG1 3.29Å; M454-I458 PolarHBondContact O-N 3.12Å
455K98.3Very high97Very high9 Ų921.4 Ų21.44%0.03910%0.102CC..Hα-helixtrans-59.3-45.3176.5-77.9-175.9-178175.90111.3L352 L358 D359 I451 L457 I458 V459L352-K455 HydrophobicContact CD1-CB 4.03Å; L352-K455 HydrophobicContact CD2-CB 4.13Å; L352-K455 HydrophobicContact CG-CB 4.2Å; L358-K455 HydrophobicContact CD2-CB 3.84Å; L358-K455 HydrophobicContact CD2-CD 4.06Å; L358-K455 HydrophobicContact CD2-CG 3.82Å; L358-K455 HydrophobicContact CG-CD 4.37Å; L358-K455 HydrophobicContact CG-CG 4.08Å; D359-K455 WeakPolarHBondContact OD1-CE 3.45Å; D359-K455 IonicContact OD1-NZ 3.47Å; D359-K455 PolarHBondContact OD1-NZ 3.31Å; D359-K455 IonicContact OD2-NZ 3.59Å; D359-K455 PolarHBondContact OD2-NZ 2.96Å; I451-K455 HydrophobicContact CG2-CD 3.84Å; I451-K455 VanDerWaalsContact CG2-CE 3.41Å; I451-K455 HydrophobicContact CG2-CG 4.17Å; I451-K455 VanDerWaalsContact O-CB 3.31Å; I451-K455 WeakPolarHBondContact O-CB 3.25Å; I451-K455 VanDerWaalsContact O-CG 3.3Å; I451-K455 WeakPolarHBondContact O-CG 3.09Å; I451-K455 PolarHBondContact O-N 2.91Å; K455-L457 VanDerWaalsContact C-N 3.33Å; K455-L457 PolarHBondContact O-N 3.01Å; K455-I458 PolarHBondContact O-N 3.46Å; K455-V459 WeakPolarHBondContact O-CG2 3.47Å; K455-V459 PolarHBondContact O-N 2.93Å
456M97.9Very high97Very high2 Ų221 Ų211%0.0110%0.101CC..Hα-helixtrans-55.3-50.5177.9-179.859.978.400111F146 V149 V150 A153 I347 L352 L452 M454 I458 V459 C460F146-M456 HydrophobicContact CD2-CE 4.3Å; F146-M456 HydrophobicContact CE1-CE 4.16Å; F146-M456 HydrophobicContact CE2-CE 3.31Å; F146-M456 HydrophobicContact CZ-CE 3.22Å; V149-M456 HydrophobicContact CG1-CB 3.83Å; V149-M456 HydrophobicContact CG1-CG 3.92Å; V150-M456 HydrophobicContact CG2-CE 3.48Å; V150-M456 VanDerWaalsContact CG2-CE 3.48Å; A153-M456 HydrophobicContact CB-CG 3.8Å; I347-M456 HydrophobicContact CB-CE 4.3Å; I347-M456 HydrophobicContact CB-SD 4.47Å; I347-M456 HydrophobicContact CD1-SD 4.03Å; I347-M456 HydrophobicContact CG2-CE 4.26Å; L352-M456 HydrophobicContact CD2-CB 4.04Å; L352-M456 HydrophobicContact CD2-CE 4.14Å; L452-M456 PolarHBondContact O-N 3.09Å; L452-M456 VanDerWaalsContact O-N 3.09Å; M454-M456 VanDerWaalsContact C-N 3.34Å; M454-M456 PolarHBondContact O-N 2.93Å; M456-I458 PolarHBondContact O-N 3.42Å; M456-V459 PolarHBondContact O-N 2.98Å; M456-C460 PolarHBondContact O-N 2.74Å; M456-C460 PolarHBondContact O-SG 2.68Å
457L98.1Very high97.1Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-64.6-42.2-179-167.770.5000112.5F156 V175 F178 L316 V453 M454 K455 V459 C460 I461F156-L457 HydrophobicContact CB-CD1 4.2Å; F156-L457 HydrophobicContact CD1-CD1 3.42Å; F156-L457 VanDerWaalsContact CD1-CD1 3.42Å; F156-L457 HydrophobicContact CD2-CD1 4.32Å; F156-L457 HydrophobicContact CE1-CD1 3.78Å; F156-L457 HydrophobicContact CE1-CG 4.47Å; F156-L457 HydrophobicContact CG-CD1 3.71Å; F156-L457 HydrophobicContact CZ-CD1 4.36Å; V175-L457 HydrophobicContact CB-CD2 4.12Å; V175-L457 HydrophobicContact CG1-CD2 4Å; F178-L457 HydrophobicContact CD1-CB 4.44Å; F178-L457 HydrophobicContact CD1-CD1 4.05Å; F178-L457 HydrophobicContact CD1-CD2 3.62Å; F178-L457 HydrophobicContact CD1-CG 4.25Å; F178-L457 HydrophobicContact CD2-CD1 4.09Å; F178-L457 HydrophobicContact CE1-CB 3.78Å; F178-L457 HydrophobicContact CE1-CD1 3.99Å; F178-L457 HydrophobicContact CE1-CD2 3.81Å; F178-L457 HydrophobicContact CE1-CG 4.07Å; F178-L457 HydrophobicContact CE2-CD1 4.05Å; F178-L457 HydrophobicContact CG-CD1 4.09Å; F178-L457 HydrophobicContact CG-CD2 4.26Å; F178-L457 HydrophobicContact CZ-CB 4.02Å; F178-L457 HydrophobicContact CZ-CD1 3.99Å; F178-L457 HydrophobicContact CZ-CG 4.42Å; L316-L457 HydrophobicContact CD1-CD2 3.58Å; L316-L457 HydrophobicContact CD2-CB 4.27Å; L316-L457 HydrophobicContact CD2-CD2 4.05Å; L316-L457 HydrophobicContact CG-CD2 4.4Å; V453-L457 PolarHBondContact O-N 3.24Å; M454-L457 PolarHBondContact O-N 2.7Å; K455-L457 VanDerWaalsContact C-N 3.33Å; K455-L457 PolarHBondContact O-N 3.01Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 2.57Å; L457-C460 PolarHBondContact O-N 2.79Å; L457-I461 HydrophobicContact CD2-CD1 4.29Å; L457-I461 HydrophobicContact CG-CD1 3.91Å; L457-I461 HydrophobicContact CG-CG1 4.47Å; L457-I461 WeakPolarHBondContact O-CB 3.42Å; L457-I461 VanDerWaalsContact O-CG1 3.29Å; L457-I461 WeakPolarHBondContact O-CG1 3.48Å; L457-I461 PolarHBondContact O-N 2.92Å
458I98.4Very high97.1Very high0 Ų021.5 Ų21.50%010%0.099CC..Hα-helixtrans-58.3-47.2177.1-69.3162000110.1L316 T319 L323 L333 L358 F362 M454 K455 M456 I461 L462L316-I458 HydrophobicContact CD2-CD1 4.2Å; L316-I458 HydrophobicContact CD2-CG1 3.86Å; T319-I458 HydrophobicContact CG2-CD1 3.7Å; L323-I458 HydrophobicContact CD1-CG2 4.43Å; L333-I458 HydrophobicContact CD2-CG2 4.47Å; L358-I458 HydrophobicContact CD1-CB 4.41Å; L358-I458 HydrophobicContact CD1-CG2 3.78Å; F362-I458 HydrophobicContact CD2-CD1 4.35Å; M454-I458 WeakPolarHBondContact O-CD1 3.39Å; M454-I458 VanDerWaalsContact O-CG1 3.26Å; M454-I458 WeakPolarHBondContact O-CG1 3.29Å; M454-I458 PolarHBondContact O-N 3.12Å; K455-I458 PolarHBondContact O-N 3.46Å; M456-I458 PolarHBondContact O-N 3.42Å; I458-I461 PolarHBondContact O-N 3.29Å; I458-L462 HydrophobicContact CG2-CD1 3.76Å; I458-L462 HydrophobicContact CG2-CG 4.28Å; I458-L462 WeakPolarHBondContact O-CB 3.39Å; I458-L462 VanDerWaalsContact O-CG 3.3Å; I458-L462 WeakPolarHBondContact O-CG 3.26Å; I458-L462 PolarHBondContact O-N 2.85Å
459V97.8Very high97.1Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-61.3-50.3178.5171.80000111.1I337 L341 I347 L352 L355 L358 K455 M456 L457 I461 L462 Q463I337-V459 HydrophobicContact CD1-CG2 4.18Å; I337-V459 HydrophobicContact CG1-CG2 4.35Å; I337-V459 HydrophobicContact CG2-CG1 4.14Å; L341-V459 HydrophobicContact CD1-CG1 3.5Å; I347-V459 HydrophobicContact CD1-CG1 3.66Å; L352-V459 HydrophobicContact CD1-CB 4.35Å; L352-V459 HydrophobicContact CD1-CG2 3.75Å; L355-V459 HydrophobicContact CD1-CG2 3.57Å; L358-V459 HydrophobicContact CD2-CG2 3.5Å; L358-V459 VanDerWaalsContact CD2-CG2 3.5Å; K455-V459 WeakPolarHBondContact O-CG2 3.47Å; K455-V459 PolarHBondContact O-N 2.93Å; M456-V459 PolarHBondContact O-N 2.98Å; L457-V459 VanDerWaalsContact C-N 3.32Å; L457-V459 PolarHBondContact O-N 2.57Å; V459-I461 VanDerWaalsContact C-N 3.29Å; V459-I461 PolarHBondContact O-N 2.69Å; V459-L462 PolarHBondContact O-N 3.22Å; V459-Q463 HydrophobicContact CG1-CG 4.27Å; V459-Q463 WeakPolarHBondContact O-CG 3.31Å; V459-Q463 PolarHBondContact O-N 3.37Å
460C96.4Very high97.1Very high9 Ų921 Ų216%0.06111%0.11CC..Hα-helixtrans-58.5-40.7179.8-68.90000112.4M157 M456 L457M157-C460 WeakPolarHBondContact CE-O 3.18Å; M157-C460 HydrophobicContact CG-CB 3.78Å; M157-C460 HydrophobicContact SD-CB 3.95Å; M456-C460 PolarHBondContact O-N 2.74Å; M456-C460 PolarHBondContact O-SG 2.68Å; L457-C460 PolarHBondContact O-N 2.79Å
461I97.3Very high97Very high0 Ų025.8 Ų25.80%015%0.15CC..Hα-helixtrans-63.7-53.9174.8-70168.5000109.9F156 M157 L320 L457 I458 V459 Q463 K464 Y465 V467 F493F156-I461 HydrophobicContact CE1-CD1 3.91Å; F156-I461 HydrophobicContact CE1-CG1 3.86Å; F156-I461 HydrophobicContact CZ-CD1 4.24Å; M157-I461 HydrophobicContact SD-CG1 4.06Å; L320-I461 HydrophobicContact CD1-CD1 4.14Å; L320-I461 HydrophobicContact CD2-CD1 4.49Å; L457-I461 HydrophobicContact CD2-CD1 4.29Å; L457-I461 HydrophobicContact CG-CD1 3.91Å; L457-I461 HydrophobicContact CG-CG1 4.47Å; L457-I461 WeakPolarHBondContact O-CB 3.42Å; L457-I461 VanDerWaalsContact O-CG1 3.29Å; L457-I461 WeakPolarHBondContact O-CG1 3.48Å; L457-I461 PolarHBondContact O-N 2.92Å; I458-I461 PolarHBondContact O-N 3.29Å; V459-I461 VanDerWaalsContact C-N 3.29Å; V459-I461 PolarHBondContact O-N 2.69Å; I461-Q463 VanDerWaalsContact C-N 3.27Å; I461-Q463 PolarHBondContact O-N 3.01Å; I461-K464 PolarHBondContact O-N 3.48Å; I461-Y465 PolarHBondContact O-N 3.18Å; I461-V467 HydrophobicContact CG2-CG2 4.03Å; I461-F493 HydrophobicContact CD1-CE1 4.47Å; I461-F493 HydrophobicContact CG2-CD1 4.2Å; I461-F493 HydrophobicContact CG2-CE1 3.95Å
462L97.2Very high96.9Very high0 Ų028 Ų280%016%0.162CC..Hα-helixtrans-69.9-20.5-173.2-67-177.4000113.9L323 M330 L333 Q334 I337 I458 V459 K464 Y465 R496L323-L462 HydrophobicContact CD1-CD1 4.03Å; M330-L462 HydrophobicContact CG-CD2 3.98Å; M330-L462 HydrophobicContact SD-CD2 3.99Å; L333-L462 HydrophobicContact CD2-CD1 3.43Å; L333-L462 VanDerWaalsContact CD2-CD1 3.43Å; L333-L462 HydrophobicContact CG-CD1 3.86Å; Q334-L462 HydrophobicContact CG-CB 4.23Å; I337-L462 HydrophobicContact CD1-CB 3.85Å; I337-L462 HydrophobicContact CD1-CD1 4.05Å; I458-L462 HydrophobicContact CG2-CD1 3.76Å; I458-L462 HydrophobicContact CG2-CG 4.28Å; I458-L462 WeakPolarHBondContact O-CB 3.39Å; I458-L462 VanDerWaalsContact O-CG 3.3Å; I458-L462 WeakPolarHBondContact O-CG 3.26Å; I458-L462 PolarHBondContact O-N 2.85Å; V459-L462 PolarHBondContact O-N 3.22Å; L462-K464 VanDerWaalsContact C-N 3.28Å; L462-K464 PolarHBondContact O-N 3.45Å; L462-Y465 WeakPolarHBondContact CA-O 3.05Å; L462-R496 WeakPolarHBondContact O-CD 3.11Å; L462-R496 PolarHBondContact O-NH1 3.16Å
463Q94.8Very high96.9Very high36 Ų3628.7 Ų28.717%0.16817%0.166CC..Hα-helixtrans-65.1-30.6169.6-79.8-177.4-31.700112.7I337 V459 I461I337-Q463 HydrophobicContact CG2-CG 3.45Å; I337-Q463 VanDerWaalsContact CG2-CG 3.45Å; V459-Q463 HydrophobicContact CG1-CG 4.27Å; V459-Q463 WeakPolarHBondContact O-CG 3.31Å; V459-Q463 PolarHBondContact O-N 3.37Å; I461-Q463 VanDerWaalsContact C-N 3.27Å; I461-Q463 PolarHBondContact O-N 3.01Å
464K94.7Very high96.8Very high101 Ų10130.1 Ų30.144%0.43917%0.173SC..Hα-helixtrans-117-23.5-172.9-63.7-168.3-179.2-178.40114.4M157 I461 L462 R496M157-K464 HydrophobicContact CE-CB 3.97Å; M157-K464 HydrophobicContact CE-CD 3.89Å; M157-K464 HydrophobicContact CE-CG 4.21Å; I461-K464 PolarHBondContact O-N 3.48Å; L462-K464 VanDerWaalsContact C-N 3.28Å; L462-K464 PolarHBondContact O-N 3.45Å; K464-R496 PolarHBondContact O-N 2.99Å
465Y96.6Very high96.6Very high22 Ų2234.5 Ų34.59%0.08620%0.2CC..EExtended strand (participates in β ladder)trans-134.9144.2-173.9-59.7-87.2000111.4M157 L160 G161 L165 I461 L462 F493 V494 P495M157-Y465 HydrophobicContact CE-CD2 3.78Å; M157-Y465 HydrophobicContact CE-CE2 3.6Å; L160-Y465 HydrophobicContact CD2-CD2 3.75Å; L160-Y465 HydrophobicContact CD2-CE2 3.62Å; L160-Y465 HydrophobicContact CD2-CG 4.48Å; L160-Y465 HydrophobicContact CG-CE2 4.01Å; G161-Y465 WeakPolarHBondContact CA-OH 3.44Å; L165-Y465 HydrophobicContact CD1-CD1 3.96Å; L165-Y465 HydrophobicContact CD1-CE1 3.35Å; I461-Y465 PolarHBondContact O-N 3.18Å; L462-Y465 WeakPolarHBondContact CA-O 3.05Å; Y465-F493 HydrophobicContact CD1-CB 4.33Å; Y465-V494 CarbonylContact C-O 3.49Å; Y465-V494 VanDerWaalsContact CA-O 3.23Å; Y465-V494 WeakPolarHBondContact CA-O 3.38Å; Y465-P495 HydrophobicContact CD1-CB 4.42Å; Y465-P495 HydrophobicContact CD1-CG 4.23Å; Y465-P495 HydrophobicContact CE1-CB 4.33Å; Y465-P495 HydrophobicContact CE1-CG 3.95Å
466S97.3Very high96.3Very high22 Ų2238.8 Ų38.815%0.15423%0.228CC..EExtended strand (participates in β ladder)trans-90.8144.6157.6-70.80000108.7Q334 V494Q334-S466 PolarHBondContact NE2-OG 3.48Å; S466-V494 PolarHBondContact N-O 2.99Å; S466-V494 PolarHBondContact O-N 3.13Å
467V97.3Very high96.1Very high1 Ų139.5 Ų39.51%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-107.9126.3176.4-169.50000108.6L320 A324 M330 I461 L491 K492 F493L320-V467 HydrophobicContact CD2-CG2 4.27Å; A324-V467 WeakPolarHBondContact CA-O 3.45Å; A324-V467 HydrophobicContact CB-CB 4.45Å; A324-V467 HydrophobicContact CB-CG1 4.07Å; A324-V467 WeakPolarHBondContact CB-O 3.22Å; M330-V467 WeakPolarHBondContact CE-O 3.4Å; M330-V467 HydrophobicContact SD-CB 4.4Å; M330-V467 PolarHBondContact SD-N 3.19Å; I461-V467 HydrophobicContact CG2-CG2 4.03Å; V467-L491 HydrophobicContact CG1-CB 3.75Å; V467-L491 HydrophobicContact CG1-CD1 3.48Å; V467-L491 VanDerWaalsContact CG1-CD1 3.48Å; V467-L491 HydrophobicContact CG1-CG 4.15Å; V467-K492 CarbonylContact C-O 3.48Å; V467-K492 WeakPolarHBondContact CA-O 3.45Å; V467-F493 HydrophobicContact CG1-CZ 4.4Å; V467-F493 HydrophobicContact CG2-CD1 3.93Å; V467-F493 HydrophobicContact CG2-CE1 3.82Å; V467-F493 HydrophobicContact CG2-CZ 4.45Å
468E97.3Very high95.8Very high81 Ų8145.4 Ų45.438%0.37926%0.26SS..EExtended strand (participates in β ladder)trans-123.6156.1-172.8-64.7-179.1175.800111.5K492 V494E468-K492 HydrophobicContact CB-CB 4.42Å; E468-K492 PolarHBondContact N-O 2.99Å; E468-K492 PolarHBondContact O-N 3.05Å; E468-V494 HydrophobicContact CG-CG2 4.19Å; E468-V494 WeakPolarHBondContact OE2-CG2 3.33Å
469T97.3Very high95.5Very high67 Ų6747.2 Ų47.241%0.41127%0.267SS..  trans-70.9155.4167.365.90000110.8A324 T325 T473A324-T469 HydrophobicContact CB-CG2 4.38Å; A324-T469 WeakPolarHBondContact O-CG2 3.3Å; T325-T469 HydrophobicContact CG2-CG2 3.85Å; T469-T473 HydrophobicContact CG2-CG2 4.01Å
470C95.2Very high95Very high34 Ų3449.5 Ų49.523%0.2328%0.28CS..  trans-137176.2175.267.30000109.9D472 T473 K492C470-D472 PolarHBondContact O-N 3.44Å; C470-D472 VanDerWaalsContact O-N 3.08Å; C470-T473 PolarHBondContact N-OG1 2.98Å; C470-T473 VanDerWaalsContact O-CB 3.32Å; C470-T473 WeakPolarHBondContact O-CB 3.44Å; C470-T473 PolarHBondContact O-N 2.86Å; C470-T473 PolarHBondContact O-OG1 2.94Å; C470-T473 PolarHBondContact SG-OG1 2.74Å; C470-K492 HydrophobicContact CB-CB 4.43Å
471A94.9Very high94.2Very high110 Ų11055.5 Ų55.591%0.90930%0.301SS*.THydrogen-bonded Turntrans-56.9-27.5-17900000113.8
472D95.2Very high93.4Very high86 Ų8659.5 Ų59.546%0.4632%0.319SS..THydrogen-bonded Turntrans-88.2-6.7178.1-77-11000113.7S168 C470 M474 K490S168-D472 PolarHBondContact OG-OD2 2.75Å; C470-D472 PolarHBondContact O-N 3.44Å; C470-D472 VanDerWaalsContact O-N 3.08Å; D472-M474 PolarHBondContact O-N 2.89Å; D472-K490 HydrophobicContact CB-CB 4.1Å; D472-K490 HydrophobicContact CB-CD 3.56Å; D472-K490 IonicContact OD2-NZ 2.7Å; D472-K490 PolarHBondContact OD2-NZ 3.01Å
473T97Very high92.9Very high18 Ų1860 Ų6011%0.1132%0.321CS..  trans-72.2125.1-177.1-57.30000110.6T469 C470 V475 K490 L491T469-T473 HydrophobicContact CG2-CG2 4.01Å; C470-T473 PolarHBondContact N-OG1 2.98Å; C470-T473 VanDerWaalsContact O-CB 3.32Å; C470-T473 WeakPolarHBondContact O-CB 3.44Å; C470-T473 PolarHBondContact O-N 2.86Å; C470-T473 PolarHBondContact O-OG1 2.94Å; C470-T473 PolarHBondContact SG-OG1 2.74Å; T473-V475 HydrophobicContact CG2-CG2 3.89Å; T473-K490 WeakPolarHBondContact CB-O 3.47Å; T473-K490 PolarHBondContact OG1-O 2.76Å; T473-L491 HydrophobicContact CG2-CD2 3.77Å
474M95.7Very high92.6Very high32 Ų3262 Ų6216%0.15833%0.33CS..  trans-83.3118.7176.7-166.7-173.5-55.700110.7H321 D472 P476 Q478 T486 K487H321-M474 PolarHBondContact NE2-O 2.72Å; D472-M474 PolarHBondContact O-N 2.89Å; M474-P476 WeakPolarHBondContact CG-O 3.48Å; M474-Q478 HydrophobicContact SD-CB 3.63Å; M474-Q478 HydrophobicContact SD-CG 3.9Å; M474-Q478 PolarHBondContact SD-N 2.8Å; M474-T486 WeakPolarHBondContact CE-OG1 3.24Å; M474-K487 HydrophobicContact CE-CB 3.39Å; M474-K487 HydrophobicContact CE-CD 3.88Å; M474-K487 HydrophobicContact CE-CG 3.55Å
475V94.4Very high92.5Very high95 Ų9558.7 Ų58.758%0.57632%0.319SS*.SBendtrans-132.5115.4178.4-171.90000109.5T325 T473T325-V475 HydrophobicContact CG2-CG1 4.11Å; T325-V475 HydrophobicContact CG2-CG2 3.69Å; T473-V475 HydrophobicContact CG2-CG2 3.89Å
476P91.4Very high92.3Very high98 Ų9861 Ų6164%0.63634%0.336SS*.SBendcis-72163-11.233.2-36.2000112.1M474 Q478M474-P476 WeakPolarHBondContact CG-O 3.48Å; P476-Q478 PolarHBondContact O-N 2.86Å
477I93.6Very high92.1Very high18 Ų1866.9 Ų66.99%0.09236%0.358CS..PPolyproline II helixtrans-61.4126.6172.3-57.3-178.3000109.5Y318 H321 I369 F479 P485 V489Y318-I477 HydrophobicContact CD1-CD1 3.91Å; Y318-I477 HydrophobicContact CE1-CD1 4.24Å; H321-I477 HydrophobicContact CB-CD1 4.31Å; H321-I477 VanDerWaalsContact CE1-CG1 3.5Å; H321-I477 WeakPolarHBondContact CE1-CG1 3.48Å; I369-I477 HydrophobicContact CD1-CD1 3.93Å; I369-I477 HydrophobicContact CD1-CG1 4.45Å; I477-F479 HydrophobicContact CB-CE2 4.06Å; I477-F479 HydrophobicContact CB-CZ 3.98Å; I477-F479 HydrophobicContact CG2-CD1 4.37Å; I477-F479 HydrophobicContact CG2-CD2 4.39Å; I477-F479 HydrophobicContact CG2-CE1 3.8Å; I477-F479 HydrophobicContact CG2-CE2 3.83Å; I477-F479 HydrophobicContact CG2-CZ 3.48Å; I477-F479 VanDerWaalsContact CG2-CZ 3.48Å; I477-P485 HydrophobicContact CG2-CB 4.08Å; I477-P485 HydrophobicContact CG2-CG 4.3Å; I477-V489 HydrophobicContact CD1-CG2 3.87Å
478Q92.2Very high92Very high123 Ų12370.1 Ų70.158%0.57538%0.38SS*.PPolyproline II helixtrans-98128.8173.4-61-178.1-9.400109.4M474 P476 T486M474-Q478 HydrophobicContact SD-CB 3.63Å; M474-Q478 HydrophobicContact SD-CG 3.9Å; M474-Q478 PolarHBondContact SD-N 2.8Å; P476-Q478 PolarHBondContact O-N 2.86Å; Q478-T486 HydrophobicContact CB-CG2 4.36Å; Q478-T486 WeakPolarHBondContact O-CG2 3.36Å; Q478-T486 PolarHBondContact O-N 3.02Å; Q478-T486 PolarHBondContact O-OG1 3.41Å; Q478-T486 VanDerWaalsContact O-OG1 3.1Å
479F91.6Very high92Very high38 Ų3866.9 Ų66.917%0.16737%0.365CS..BIsolated β-bridgetrans-104.7144.8-179.4-61.8-83.3000111.5Y318 I369 I477 F483 Q484 P485Y318-F479 HydrophobicContact CE1-CE1 4.3Å; Y318-F479 AromaticContact CZ-CE1 3.88Å; I369-F479 HydrophobicContact CG2-CE1 4.31Å; I369-F479 HydrophobicContact CG2-CE2 4.2Å; I369-F479 HydrophobicContact CG2-CZ 3.5Å; I369-F479 VanDerWaalsContact CG2-CZ 3.5Å; I477-F479 HydrophobicContact CB-CE2 4.06Å; I477-F479 HydrophobicContact CB-CZ 3.98Å; I477-F479 HydrophobicContact CG2-CD1 4.37Å; I477-F479 HydrophobicContact CG2-CD2 4.39Å; I477-F479 HydrophobicContact CG2-CE1 3.8Å; I477-F479 HydrophobicContact CG2-CE2 3.83Å; I477-F479 HydrophobicContact CG2-CZ 3.48Å; I477-F479 VanDerWaalsContact CG2-CZ 3.48Å; F479-F483 HydrophobicContact CB-CD2 4.14Å; F479-F483 HydrophobicContact CB-CE2 4.49Å; F479-F483 HydrophobicContact CD1-CD2 4.32Å; F479-F483 HydrophobicContact CD1-CE2 4.36Å; F479-F483 HydrophobicContact CD1-CG 4.43Å; F479-F483 HydrophobicContact CD2-CD2 4.47Å; F479-F483 HydrophobicContact CD2-CE2 4Å; F479-F483 HydrophobicContact CD2-CZ 4.45Å; F479-F483 HydrophobicContact CE1-CE1 4.49Å; F479-F483 HydrophobicContact CE1-CZ 4.46Å; F479-F483 HydrophobicContact CE2-CE2 4.37Å; F479-F483 HydrophobicContact CE2-CZ 4.38Å; F479-F483 HydrophobicContact CG-CD2 4.04Å; F479-F483 HydrophobicContact CG-CE2 4.01Å; F479-F483 HydrophobicContact CZ-CZ 4.4Å; F479-Q484 CarbonylContact C-O 3.59Å; F479-Q484 VanDerWaalsContact CA-O 3.27Å; F479-Q484 WeakPolarHBondContact CA-O 3.31Å; F479-P485 HydrophobicContact CD1-CG 4.45Å; F479-P485 HydrophobicContact CE1-CG 4.11Å
480D87.7Confident92Very high49 Ų4966.5 Ų66.526%0.26236%0.358SS..  trans-75.2-177.9168.377.6-1.1000111.7K482 F483 Q484 T486D480-K482 PolarHBondContact O-N 2.69Å; D480-K482 VanDerWaalsContact O-N 3.15Å; D480-K482 VanDerWaalsContact OD1-CA 3.3Å; D480-K482 WeakPolarHBondContact OD1-CA 3.48Å; D480-K482 WeakPolarHBondContact OD1-CB 3.13Å; D480-K482 PolarHBondContact OD1-N 2.94Å; D480-F483 PolarHBondContact O-N 3.31Å; D480-F483 PolarHBondContact OD1-N 3.16Å; D480-F483 VanDerWaalsContact OD1-N 3.14Å; D480-Q484 PolarHBondContact N-O 3.11Å; D480-Q484 PolarHBondContact OD1-N 3.2Å; D480-T486 HydrophobicContact CB-CG2 4.33Å
481W80.6Confident92.1Very high134 Ų13464.9 Ų64.951%0.50835%0.347SS..THydrogen-bonded Turntrans-65.2-14.7179.569.2-89.6000114F52 F214F52-W481 HydrophobicContact CB-CB 4.02Å; F214-W481 HydrophobicContact CD1-CH2 4.4Å; F214-W481 HydrophobicContact CE1-CH2 4.44Å
482K78.6Confident92.2Very high84 Ų8463.5 Ų63.537%0.36532%0.321SS..THydrogen-bonded Turntrans-95.25.8175.5-56.4178.4-175.7174.90112.3F214 D480 Q484F214-K482 HydrophobicContact CE1-CD 4.46Å; F214-K482 HydrophobicContact CE2-CD 4.3Å; F214-K482 HydrophobicContact CZ-CD 3.91Å; D480-K482 PolarHBondContact O-N 2.69Å; D480-K482 VanDerWaalsContact O-N 3.15Å; D480-K482 VanDerWaalsContact OD1-CA 3.3Å; D480-K482 WeakPolarHBondContact OD1-CA 3.48Å; D480-K482 WeakPolarHBondContact OD1-CB 3.13Å; D480-K482 PolarHBondContact OD1-N 2.94Å; K482-Q484 VanDerWaalsContact C-N 3.27Å; K482-Q484 HydrophobicContact CB-CG 4.24Å; K482-Q484 PolarHBondContact O-N 2.89Å
483F88.1Confident92.3Very high12 Ų1259.5 Ų59.55%0.05330%0.299CS..SBendtrans61.534.7-173.7-158-106.4000113.1L56 P370 P373 H401 F479 D480L56-F483 HydrophobicContact CB-CD2 4.35Å; L56-F483 HydrophobicContact CD2-CD2 4.36Å; P370-F483 WeakPolarHBondContact O-CE1 3.35Å; P373-F483 HydrophobicContact CB-CD1 3.82Å; P373-F483 HydrophobicContact CB-CD2 4.1Å; P373-F483 HydrophobicContact CB-CE1 3.82Å; P373-F483 HydrophobicContact CB-CE2 4.1Å; P373-F483 HydrophobicContact CB-CG 3.97Å; P373-F483 HydrophobicContact CB-CZ 3.95Å; P373-F483 HydrophobicContact CG-CB 3.96Å; P373-F483 HydrophobicContact CG-CD1 3.49Å; P373-F483 VanDerWaalsContact CG-CD1 3.49Å; P373-F483 HydrophobicContact CG-CD2 4.17Å; P373-F483 HydrophobicContact CG-CE1 4.01Å; P373-F483 HydrophobicContact CG-CG 3.59Å; H401-F483 AromaticContact CE1-CE2 3.65Å; H401-F483 AromaticContact CE1-CZ 3.73Å; H401-F483 AromaticContact ND1-CE2 3.24Å; H401-F483 WeakPolarHBondContact ND1-CE2 3.41Å; H401-F483 AromaticContact ND1-CZ 3.42Å; H401-F483 WeakPolarHBondContact ND1-CZ 3.45Å; F479-F483 HydrophobicContact CB-CD2 4.14Å; F479-F483 HydrophobicContact CB-CE2 4.49Å; F479-F483 HydrophobicContact CD1-CD2 4.32Å; F479-F483 HydrophobicContact CD1-CE2 4.36Å; F479-F483 HydrophobicContact CD1-CG 4.43Å; F479-F483 HydrophobicContact CD2-CD2 4.47Å; F479-F483 HydrophobicContact CD2-CE2 4Å; F479-F483 HydrophobicContact CD2-CZ 4.45Å; F479-F483 HydrophobicContact CE1-CE1 4.49Å; F479-F483 HydrophobicContact CE1-CZ 4.46Å; F479-F483 HydrophobicContact CE2-CE2 4.37Å; F479-F483 HydrophobicContact CE2-CZ 4.38Å; F479-F483 HydrophobicContact CG-CD2 4.04Å; F479-F483 HydrophobicContact CG-CE2 4.01Å; F479-F483 HydrophobicContact CZ-CZ 4.4Å; D480-F483 PolarHBondContact O-N 3.31Å; D480-F483 PolarHBondContact OD1-N 3.16Å; D480-F483 VanDerWaalsContact OD1-N 3.14Å
484Q88.1Confident92.2Very high76 Ų7660.4 Ų60.436%0.35531%0.305SS..  trans-105.2144.2172-65-64-4400110.4F479 D480 K482 T486F479-Q484 CarbonylContact C-O 3.59Å; F479-Q484 VanDerWaalsContact CA-O 3.27Å; F479-Q484 WeakPolarHBondContact CA-O 3.31Å; D480-Q484 PolarHBondContact N-O 3.11Å; D480-Q484 PolarHBondContact OD1-N 3.2Å; K482-Q484 VanDerWaalsContact C-N 3.27Å; K482-Q484 HydrophobicContact CB-CG 4.24Å; K482-Q484 PolarHBondContact O-N 2.89Å; Q484-T486 PolarHBondContact O-N 2.66Å
485P92.1Very high92.2Very high33 Ų3363 Ų6321%0.21432%0.324CS..BIsolated β-bridgetrans-56131.4175.6-25.535.4000111.5Y318 I477 F479 K487 V489Y318-P485 HydrophobicContact CE1-CG 3.87Å; Y318-P485 WeakPolarHBondContact OH-CD 3.3Å; Y318-P485 WeakPolarHBondContact OH-CG 3.19Å; I477-P485 HydrophobicContact CG2-CB 4.08Å; I477-P485 HydrophobicContact CG2-CG 4.3Å; F479-P485 HydrophobicContact CD1-CG 4.45Å; F479-P485 HydrophobicContact CE1-CG 4.11Å; P485-K487 WeakPolarHBondContact CB-O 3.47Å; P485-K487 PolarHBondContact O-N 3.4Å; P485-V489 HydrophobicContact CG-CG2 4.41Å
486T92.3Very high92Very high70 Ų7060.8 Ų60.843%0.42931%0.305SS..SBendtrans-67-22.4179.353.10000113.1M474 Q478 D480 Q484M474-T486 WeakPolarHBondContact CE-OG1 3.24Å; Q478-T486 HydrophobicContact CB-CG2 4.36Å; Q478-T486 WeakPolarHBondContact O-CG2 3.36Å; Q478-T486 PolarHBondContact O-N 3.02Å; Q478-T486 PolarHBondContact O-OG1 3.41Å; Q478-T486 VanDerWaalsContact O-OG1 3.1Å; D480-T486 HydrophobicContact CB-CG2 4.33Å; Q484-T486 PolarHBondContact O-N 2.66Å
487K93.8Very high91.4Very high145 Ų14565.7 Ų65.763%0.6332%0.319SS*.SBendtrans-136155.4167.4-50.9178.6-178.3175.80108.7M474 P485M474-K487 HydrophobicContact CE-CB 3.39Å; M474-K487 HydrophobicContact CE-CD 3.88Å; M474-K487 HydrophobicContact CE-CG 3.55Å; P485-K487 WeakPolarHBondContact CB-O 3.47Å; P485-K487 PolarHBondContact O-N 3.4Å
488P95.1Very high89.9Confident70 Ų7071 Ų7146%0.45535%0.347SS..  trans-55.7143.9175.3-24.334.1000112.4D170 K490D170-P488 WeakPolarHBondContact OD2-CB 3.46Å; P488-K490 PolarHBondContact O-N 3.37Å; P488-K490 VanDerWaalsContact O-N 3.17Å
489V96.3Very high89.8Confident12 Ų1268.4 Ų68.47%0.07334%0.336CS..  trans-72.3108.8173.5179.50000108V171 Y318 H321 I477 P485V171-V489 HydrophobicContact CB-CG1 4.46Å; V171-V489 HydrophobicContact CG2-CG1 4.22Å; V171-V489 WeakPolarHBondContact CG2-O 3.26Å; V171-V489 PolarHBondContact N-O 3.2Å; Y318-V489 HydrophobicContact CD1-CG2 4.42Å; Y318-V489 HydrophobicContact CE1-CG2 4.32Å; H321-V489 HydrophobicContact CB-CG1 3.84Å; I477-V489 HydrophobicContact CD1-CG2 3.87Å; P485-V489 HydrophobicContact CG-CG2 4.41Å
490K97.6Very high89.7Confident59 Ų5969.9 Ų69.926%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-111.6131.6-179.1-75.7179.7162.1-151.10111.5S168 I169 D472 T473 P488S168-K490 PolarHBondContact OG-NZ 2.76Å; S168-K490 VanDerWaalsContact OG-NZ 3.12Å; I169-K490 VanDerWaalsContact O-CA 3.24Å; I169-K490 WeakPolarHBondContact O-CA 3.46Å; D472-K490 HydrophobicContact CB-CB 4.1Å; D472-K490 HydrophobicContact CB-CD 3.56Å; D472-K490 IonicContact OD2-NZ 2.7Å; D472-K490 PolarHBondContact OD2-NZ 3.01Å; T473-K490 WeakPolarHBondContact CB-O 3.47Å; T473-K490 PolarHBondContact OG1-O 2.76Å; P488-K490 PolarHBondContact O-N 3.37Å; P488-K490 VanDerWaalsContact O-N 3.17Å
491L97.7Very high89.8Confident0 Ų071.1 Ų71.10%035%0.349CS..EExtended strand (participates in β ladder)trans-138.5167.9179.7-61.5175.4000110.7I169 V171 L320 H321 A324 V467 T473 F493I169-L491 PolarHBondContact N-O 3.2Å; I169-L491 PolarHBondContact O-N 3.41Å; V171-L491 HydrophobicContact CG2-CB 3.82Å; V171-L491 HydrophobicContact CG2-CD1 3.63Å; V171-L491 HydrophobicContact CG2-CG 3.68Å; L320-L491 HydrophobicContact CB-CD1 4Å; H321-L491 HydrophobicContact CB-CD1 4.44Å; A324-L491 HydrophobicContact CB-CD1 4.11Å; A324-L491 HydrophobicContact CB-CD2 3.67Å; A324-L491 HydrophobicContact CB-CG 4.48Å; V467-L491 HydrophobicContact CG1-CB 3.75Å; V467-L491 HydrophobicContact CG1-CD1 3.48Å; V467-L491 VanDerWaalsContact CG1-CD1 3.48Å; V467-L491 HydrophobicContact CG1-CG 4.15Å; T473-L491 HydrophobicContact CG2-CD2 3.77Å; L491-F493 HydrophobicContact CB-CE2 4.48Å
492K96.9Very high90.4Very high82 Ų8267.4 Ų67.436%0.35734%0.34SS..EExtended strand (participates in β ladder)trans-108.6140.2171.7-172.5-177.2-179.4-168.90109.7V467 E468 C470 V494V467-K492 CarbonylContact C-O 3.48Å; V467-K492 WeakPolarHBondContact CA-O 3.45Å; E468-K492 HydrophobicContact CB-CB 4.42Å; E468-K492 PolarHBondContact N-O 2.99Å; E468-K492 PolarHBondContact O-N 3.05Å; C470-K492 HydrophobicContact CB-CB 4.43Å; K492-V494 HydrophobicContact CD-CG2 4.05Å; K492-V494 HydrophobicContact CG-CG2 4.12Å
493F96.9Very high91.1Very high1 Ų166.4 Ų66.40%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-110.7117.7176.2-70.1-108.2000108.2L160 L165 I169 V171 L174 L320 I461 Y465 V467 L491L160-F493 HydrophobicContact CD2-CD1 4.36Å; L165-F493 HydrophobicContact CD1-CB 4.26Å; L165-F493 HydrophobicContact CD2-CB 4.38Å; I169-F493 HydrophobicContact CB-CD2 4.36Å; I169-F493 HydrophobicContact CB-CE2 4.33Å; I169-F493 HydrophobicContact CD1-CD2 3.9Å; I169-F493 HydrophobicContact CG2-CE2 4.49Å; V171-F493 HydrophobicContact CG2-CE2 4.48Å; L174-F493 HydrophobicContact CD2-CE1 4.24Å; L174-F493 HydrophobicContact CD2-CE2 3.93Å; L174-F493 HydrophobicContact CD2-CZ 3.71Å; L320-F493 HydrophobicContact CD1-CZ 4.35Å; I461-F493 HydrophobicContact CD1-CE1 4.47Å; I461-F493 HydrophobicContact CG2-CD1 4.2Å; I461-F493 HydrophobicContact CG2-CE1 3.95Å; Y465-F493 HydrophobicContact CD1-CB 4.33Å; V467-F493 HydrophobicContact CG1-CZ 4.4Å; V467-F493 HydrophobicContact CG2-CD1 3.93Å; V467-F493 HydrophobicContact CG2-CE1 3.82Å; V467-F493 HydrophobicContact CG2-CZ 4.45Å; L491-F493 HydrophobicContact CB-CE2 4.48Å
494V95.5Very high91.3Very high38 Ų3870 Ų7023%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-111.7121.6-175.8-178.50000108.7Y465 S466 E468 K492 R496Y465-V494 CarbonylContact C-O 3.49Å; Y465-V494 VanDerWaalsContact CA-O 3.23Å; Y465-V494 WeakPolarHBondContact CA-O 3.38Å; S466-V494 PolarHBondContact N-O 2.99Å; S466-V494 PolarHBondContact O-N 3.13Å; E468-V494 HydrophobicContact CG-CG2 4.19Å; E468-V494 WeakPolarHBondContact OE2-CG2 3.33Å; K492-V494 HydrophobicContact CD-CG2 4.05Å; K492-V494 HydrophobicContact CG-CG2 4.12Å; V494-R496 PolarHBondContact O-N 3.28Å
495P94.9Very high91.6Very high86 Ų8669.6 Ų69.656%0.55836%0.357SS*.EExtended strand (participates in β ladder)trans-54.1137.4175.1-23.731.9000111.3Y465Y465-P495 HydrophobicContact CD1-CB 4.42Å; Y465-P495 HydrophobicContact CD1-CG 4.23Å; Y465-P495 HydrophobicContact CE1-CB 4.33Å; Y465-P495 HydrophobicContact CE1-CG 3.95Å
496R92.1Very high91.5Very high49 Ų4972.4 Ų72.419%0.18537%0.368CS..  trans-80.9134.1175.3-65.6177.568-151.9-10.9109.7D338 L462 K464 V494 L498D338-R496 IonicContact OD1-CZ 3.47Å; D338-R496 IonicContact OD1-NH1 3.36Å; D338-R496 PolarHBondContact OD1-NH1 3.45Å; D338-R496 IonicContact OD1-NH2 2.67Å; D338-R496 IonicContact OD2-CZ 3Å; D338-R496 IonicContact OD2-NH1 2.66Å; D338-R496 PolarHBondContact OD2-NH1 3.29Å; D338-R496 IonicContact OD2-NH2 3.64Å; D338-R496 PolarHBondContact OD2-NH2 3.37Å; L462-R496 WeakPolarHBondContact O-CD 3.11Å; L462-R496 PolarHBondContact O-NH1 3.16Å; K464-R496 PolarHBondContact O-N 2.99Å; V494-R496 PolarHBondContact O-N 3.28Å; R496-L498 HydrophobicContact CB-CD2 4.29Å; R496-L498 HydrophobicContact CB-CG 4.24Å; R496-L498 PolarHBondContact O-N 3.44Å
497E76.9Confident91.5Very high200 Ų20072.6 Ų72.694%0.93536%0.363SS*.  trans-76.9112.2160.7-63.7-175.4177.200107.1
498L63.8Low91.3Very high129 Ų12966 Ų6668%0.67534%0.339SS*.  trans-101.10-168.7-80.6176.9000114.1K343 R496K343-L498 PolarHBondContact NZ-OXT 2.74Å; R496-L498 HydrophobicContact CB-CD2 4.29Å; R496-L498 HydrophobicContact CB-CG 4.24Å; R496-L498 PolarHBondContact O-N 3.44Å

Retrieved 498 of 498 residues in 646.5 ms (Link to these results)

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