A0A077Z0Y9_TRITR Loading...

Syntaxin-1A

AlphaFold DB , UniProt , Accession A0A077Z0Y9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M56Low79.9Confident237 Ų237141.7 Ų141.7100%1.16771%0.707SS**  0112.80-74.8178.1-166.600108.6R3M1-R3 PolarHBondContact O-N 2.92Å
2T73.4Confident79.8Confident150 Ų150134.1 Ų134.192%0.9268%0.683SS**  trans-65.8112.6166.4350000108.2D4T2-D4 PolarHBondContact O-N 3.22Å
3R79.2Confident78.9Confident230 Ų230137.9 Ų137.987%0.86868%0.684SS**  trans-66.8125.1176.5-82-178.5171.5127.6-3.2109.2M1 R5M1-R3 PolarHBondContact O-N 2.92Å; R3-R5 PolarHBondContact O-N 3.36Å
4D85.6Confident77.7Confident131 Ų131135.3 Ų135.370%0.70169%0.685SS**  trans-63.7119.6169.8-176-1.3000109.3T2 L6T2-D4 PolarHBondContact O-N 3.22Å; D4-L6 WeakPolarHBondContact OD1-CB 3.32Å; D4-L6 PolarHBondContact OD1-N 3.24Å
5R86Confident76.6Confident183 Ų183132.7 Ų132.769%0.69168%0.684SS**  trans-110.54.3177.3-63-17476.4176.13112.1R3 Q7 A8 L9R3-R5 PolarHBondContact O-N 3.36Å; R5-Q7 VanDerWaalsContact C-N 3.3Å; R5-Q7 PolarHBondContact O-N 3.13Å; R5-A8 PolarHBondContact O-N 2.83Å; R5-A8 VanDerWaalsContact O-N 3.11Å; R5-L9 WeakPolarHBondContact O-CG 3.33Å; R5-L9 PolarHBondContact O-N 3.15Å
6L86.4Confident75.5Confident98 Ų98134.1 Ų134.151%0.51369%0.687SS.*Hα-helixtrans-59.6-42.8-176.1-17666.6000111.2D4 L9 K10D4-L6 WeakPolarHBondContact OD1-CB 3.32Å; D4-L6 PolarHBondContact OD1-N 3.24Å; L6-L9 PolarHBondContact O-N 3.45Å; L6-K10 WeakPolarHBondContact O-CG 3.27Å; L6-K10 PolarHBondContact O-N 3.15Å
7Q81.5Confident74.1Confident162 Ų162135.5 Ų135.576%0.75770%0.696SS**Hα-helixtrans-63.8-42.1175.7-77-174.8-3.800112.3R5 L9 K10 A11R5-Q7 VanDerWaalsContact C-N 3.3Å; R5-Q7 PolarHBondContact O-N 3.13Å; Q7-L9 VanDerWaalsContact C-N 3.33Å; Q7-L9 PolarHBondContact O-N 3.48Å; Q7-K10 PolarHBondContact O-N 3.19Å; Q7-A11 WeakPolarHBondContact O-CB 3.23Å; Q7-A11 PolarHBondContact O-N 2.76Å
8A84Confident73.1Confident61 Ų61135.6 Ų135.650%0.50470%0.698SS.*Hα-helixtrans-63.3-39177.200000112R5 A12R5-A8 PolarHBondContact O-N 2.83Å; R5-A8 VanDerWaalsContact O-N 3.11Å; A8-A12 WeakPolarHBondContact O-CB 3.39Å; A8-A12 PolarHBondContact O-N 2.77Å
9L82.4Confident72Confident110 Ų110134.3 Ų134.358%0.57670%0.703SS**Hα-helixtrans-68.1-40.9175.6-71.9167.5000112.2R5 L6 Q7 A12 R13R5-L9 WeakPolarHBondContact O-CG 3.33Å; R5-L9 PolarHBondContact O-N 3.15Å; L6-L9 PolarHBondContact O-N 3.45Å; Q7-L9 VanDerWaalsContact C-N 3.33Å; Q7-L9 PolarHBondContact O-N 3.48Å; L9-A12 PolarHBondContact O-N 2.82Å; L9-R13 PolarHBondContact O-N 2.89Å
10K83Confident71Confident139 Ų139131.4 Ų131.460%0.60470%0.699SS**Hα-helixtrans-63.3-42.4175-75.7-176.7177.5-1740111.7L6 Q7 R13 S14L6-K10 WeakPolarHBondContact O-CG 3.27Å; L6-K10 PolarHBondContact O-N 3.15Å; Q7-K10 PolarHBondContact O-N 3.19Å; K10-R13 PolarHBondContact O-N 3.25Å; K10-S14 PolarHBondContact O-N 2.71Å; K10-S14 VanDerWaalsContact O-N 3.12Å; K10-S14 PolarHBondContact O-OG 2.79Å
11A81Confident70.1Confident58 Ų58131.3 Ų131.348%0.47970%0.699SS.*Hα-helixtrans-65.1-41.2177.700000112.5Q7 S14Q7-A11 WeakPolarHBondContact O-CB 3.23Å; Q7-A11 PolarHBondContact O-N 2.76Å; A11-S14 WeakPolarHBondContact CA-OG 3.21Å; A11-S14 PolarHBondContact O-N 3.29Å; A11-S14 PolarHBondContact O-OG 3.06Å
12A78.6Confident70.1Confident50 Ų50125 Ų12541%0.41367%0.673SS.*Hα-helixtrans-65.5-37175.300000112.5A8 L9 S15A8-A12 WeakPolarHBondContact O-CB 3.39Å; A8-A12 PolarHBondContact O-N 2.77Å; L9-A12 PolarHBondContact O-N 2.82Å; A12-S15 PolarHBondContact O-N 3.43Å; A12-S15 PolarHBondContact O-OG 2.99Å
13R68Low69.1Low184 Ų184122.9 Ų122.969%0.69466%0.66SS**Hα-helixtrans-67.4-32.1175.3-84.6-173.1142.1-156.3-7.9113.7L9 K10 S15 E16L9-R13 PolarHBondContact O-N 2.89Å; K10-R13 PolarHBondContact O-N 3.25Å; R13-S15 PolarHBondContact O-N 3.21Å; R13-E16 PolarHBondContact O-N 2.52Å
14S62Low68.1Low101 Ų101117.2 Ų117.271%0.70665%0.651SS**THydrogen-bonded Turntrans-72.4-11.9176.846.80000114.2K10 A11K10-S14 PolarHBondContact O-N 2.71Å; K10-S14 VanDerWaalsContact O-N 3.12Å; K10-S14 PolarHBondContact O-OG 2.79Å; A11-S14 WeakPolarHBondContact CA-OG 3.21Å; A11-S14 PolarHBondContact O-N 3.29Å; A11-S14 PolarHBondContact O-OG 3.06Å
15S62.1Low66.4Low96 Ų96116.8 Ų116.867%0.67165%0.649SS**THydrogen-bonded Turntrans-97.3-5.9176.348.70000114.6A12 R13A12-S15 PolarHBondContact O-N 3.43Å; A12-S15 PolarHBondContact O-OG 2.99Å; R13-S15 PolarHBondContact O-N 3.21Å
16E58.4Low64.9Low156 Ų156114 Ų11473%0.72965%0.651SS**  trans-117.695.4178.2-69.8-179.2146.900108.6R13 D18R13-E16 PolarHBondContact O-N 2.52Å; E16-D18 PolarHBondContact O-N 3.15Å
17D51.9Low63.2Low157 Ų157115.4 Ų115.484%0.8466%0.659SS**  trans-7198.6166.8-172.625.1000108.6
18D55.8Low61.9Low137 Ų137110 Ų11073%0.73365%0.648SS**  trans-164.587.8151.2-105.8-30.5000110.2E16 A20E16-D18 PolarHBondContact O-N 3.15Å; D18-A20 PolarHBondContact O-N 2.62Å
19S52.1Low60.6Low112 Ų112113.5 Ų113.578%0.78366%0.658SS**  3618127.672.30000122.7D21S19-D21 VanDerWaalsContact C-N 3.34Å; S19-D21 PolarHBondContact O-N 3.48Å
20A53.1Low60.4Low75 Ų75116.5 Ų116.562%0.6267%0.666SS**  trans-88.974.8165.600000109.6D18 V22D18-A20 PolarHBondContact O-N 2.62Å; A20-V22 PolarHBondContact O-N 3.44Å
21D50.9Low60.5Low131 Ų131115.3 Ų115.370%0.70166%0.659SS**  trans-60.797155.9-171.727.6000106.2S19 T23S19-D21 VanDerWaalsContact C-N 3.34Å; S19-D21 PolarHBondContact O-N 3.48Å; D21-T23 PolarHBondContact O-N 3.26Å; D21-T23 VanDerWaalsContact OD2-CG2 3.23Å; D21-T23 WeakPolarHBondContact OD2-CG2 3.27Å
22V56.8Low60.9Low105 Ų105114.3 Ų114.364%0.63665%0.645SS**  trans-68.985.5163.2-177.80000104A20 V24A20-V22 PolarHBondContact O-N 3.44Å; V22-V24 HydrophobicContact CG1-CG2 4.37Å; V22-V24 PolarHBondContact O-N 3.47Å
23T53.2Low61.5Low105 Ų105117.1 Ų117.164%0.64465%0.649SS**  trans-59.691.5161.549.50000105.4D21 D25D21-T23 PolarHBondContact O-N 3.26Å; D21-T23 VanDerWaalsContact OD2-CG2 3.23Å; D21-T23 WeakPolarHBondContact OD2-CG2 3.27Å; T23-D25 VanDerWaalsContact C-N 3.3Å; T23-D25 PolarHBondContact O-N 3.44Å
24V57.1Low62.7Low110 Ų110115.1 Ų115.167%0.66765%0.648SS**  trans-61.1110.1154.8-167.30000102.3V22 V26V22-V24 HydrophobicContact CG1-CG2 4.37Å; V22-V24 PolarHBondContact O-N 3.47Å; V24-V26 WeakPolarHBondContact O-CG2 3.3Å; V24-V26 PolarHBondContact O-N 3.44Å
25D50.2Low64.3Low123 Ų123111 Ų11166%0.65862%0.617SS**  trans-6097.4174.5-176.223.4000107.3T23 D27T23-D25 VanDerWaalsContact C-N 3.3Å; T23-D25 PolarHBondContact O-N 3.44Å; D25-D27 PolarHBondContact O-N 3.19Å; D25-D27 WeakPolarHBondContact OD1-CB 3.34Å; D25-D27 PolarHBondContact OD1-N 3.49Å; D25-D27 VanDerWaalsContact OD1-N 3.15Å
26V55Low65.9Low124 Ų124109.7 Ų109.775%0.75260%0.6SS**  trans-8329.1172.9-156.10000109.1V24 G28V24-V26 WeakPolarHBondContact O-CG2 3.3Å; V24-V26 PolarHBondContact O-N 3.44Å; V26-G28 PolarHBondContact O-N 3.01Å; V26-G28 VanDerWaalsContact O-N 3.15Å
27D50.5Low67.7Low127 Ų127108.9 Ų108.968%0.67960%0.596SS**  trans-67.816.1144-93.8-9.5000112.1D25 N29 K30D25-D27 PolarHBondContact O-N 3.19Å; D25-D27 WeakPolarHBondContact OD1-CB 3.34Å; D25-D27 PolarHBondContact OD1-N 3.49Å; D25-D27 VanDerWaalsContact OD1-N 3.15Å; D27-N29 PolarHBondContact O-N 3.05Å; D27-K30 PolarHBondContact O-N 3.22Å
28G54Low69.8Low50 Ų50104.1 Ų104.152%0.51557%0.568SS.*THydrogen-bonded Turntrans-55.113.3167.800000117.1V26V26-G28 PolarHBondContact O-N 3.01Å; V26-G28 VanDerWaalsContact O-N 3.15Å
29N55.8Low71.8Confident134 Ų13497.6 Ų97.672%0.71753%0.534SS*.THydrogen-bonded Turntrans-84.1-16.3166.3-9833.6000113.8D27 E33D27-N29 PolarHBondContact O-N 3.05Å; N29-E33 VanDerWaalsContact O-CD 3.29Å
30K78.8Confident74Confident173 Ų17396.9 Ų96.975%0.75252%0.518SS*.SBendtrans-114.9-9.2-175.2-70.6-176.5-179175.40116D27 M32 E33D27-K30 PolarHBondContact O-N 3.22Å; K30-M32 PolarHBondContact O-N 2.93Å; K30-E33 PolarHBondContact O-N 3.23Å
31Y84.8Confident76.1Confident113 Ų11397.4 Ų97.444%0.44351%0.507SS..THydrogen-bonded Turntrans-64.2111.2-177.6176.7-107.5000110.5E33 F36 D114 I117Y31-E33 PolarHBondContact O-N 3.46Å; Y31-E33 VanDerWaalsContact O-N 3.07Å; Y31-F36 HydrophobicContact CD1-CE2 4.38Å; Y31-D114 VanDerWaalsContact CE2-OD1 3.27Å; Y31-D114 WeakPolarHBondContact CE2-OD1 3.46Å; Y31-D114 VanDerWaalsContact CZ-OD1 3.28Å; Y31-D114 PolarHBondContact OH-OD1 3.27Å; Y31-I117 HydrophobicContact CE1-CD1 4.04Å; Y31-I117 VanDerWaalsContact OH-CD1 3.23Å; Y31-I117 WeakPolarHBondContact OH-CD1 3.48Å
32M89.2Confident78.4Confident37 Ų3791.1 Ų91.118%0.18247%0.474CS..THydrogen-bonded Turntrans55.824.2177.8-64.7-76.7-76.600113.9K30 E34 F35 F36 D114 R118K30-M32 PolarHBondContact O-N 2.93Å; M32-E34 PolarHBondContact O-N 3.36Å; M32-F35 HydrophobicContact CB-CB 4.43Å; M32-F35 HydrophobicContact CE-CB 3.94Å; M32-F35 HydrophobicContact CE-CD1 3.66Å; M32-F35 HydrophobicContact CE-CE1 4.42Å; M32-F35 HydrophobicContact CE-CG 3.84Å; M32-F35 WeakPolarHBondContact O-CB 3.33Å; M32-F35 PolarHBondContact O-N 3.42Å; M32-F36 HydrophobicContact CB-CD2 3.81Å; M32-F36 HydrophobicContact CB-CE2 3.54Å; M32-F36 HydrophobicContact CB-CZ 4.28Å; M32-F36 WeakPolarHBondContact O-CD2 2.97Å; M32-F36 PolarHBondContact O-N 3.38Å; M32-D114 HydrophobicContact CE-CB 4.2Å; M32-D114 HydrophobicContact SD-CB 4.08Å; M32-R118 HydrophobicContact CE-CG 3.4Å
33E92.4Very high80.3Confident110 Ų11089.9 Ų89.951%0.51446%0.458SS..Hα-helixtrans-55.6-49.9-172.7-174.9179.5-164.400111.7N29 K30 Y31 F35 F36 E37N29-E33 VanDerWaalsContact O-CD 3.29Å; K30-E33 PolarHBondContact O-N 3.23Å; Y31-E33 PolarHBondContact O-N 3.46Å; Y31-E33 VanDerWaalsContact O-N 3.07Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.86Å; E33-F36 PolarHBondContact O-N 3.49Å; E33-E37 PolarHBondContact O-N 3.05Å
34E92.6Very high82.5Confident141 Ų14186.9 Ų86.966%0.65945%0.447SS*.Hα-helixtrans-60.1-39.6177.8-171.4-174.1170.900112M32 E37 Q38M32-E34 PolarHBondContact O-N 3.36Å; E34-E37 PolarHBondContact O-N 3.32Å; E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.46Å; E34-Q38 PolarHBondContact O-N 3.14Å
35F94.9Very high84.5Confident15 Ų1582.4 Ų82.47%0.06642%0.421CS..Hα-helixtrans-67.9-42.3177.5175.6-103.7000111.5M32 E33 Q38 V39 I98 I117 R118 Q121M32-F35 HydrophobicContact CB-CB 4.43Å; M32-F35 HydrophobicContact CE-CB 3.94Å; M32-F35 HydrophobicContact CE-CD1 3.66Å; M32-F35 HydrophobicContact CE-CE1 4.42Å; M32-F35 HydrophobicContact CE-CG 3.84Å; M32-F35 WeakPolarHBondContact O-CB 3.33Å; M32-F35 PolarHBondContact O-N 3.42Å; E33-F35 VanDerWaalsContact C-N 3.3Å; E33-F35 PolarHBondContact O-N 2.86Å; F35-Q38 PolarHBondContact O-N 3.01Å; F35-V39 HydrophobicContact CD1-CG2 4.22Å; F35-V39 HydrophobicContact CE1-CG2 3.66Å; F35-V39 HydrophobicContact CE2-CG2 4.03Å; F35-V39 HydrophobicContact CZ-CG2 3.53Å; F35-V39 WeakPolarHBondContact O-CG2 3.44Å; F35-V39 PolarHBondContact O-N 3.33Å; F35-I98 HydrophobicContact CE2-CD1 4.28Å; F35-I98 HydrophobicContact CE2-CG1 4.47Å; F35-I98 HydrophobicContact CE2-CG2 4.1Å; F35-I117 HydrophobicContact CE1-CG2 4.38Å; F35-R118 HydrophobicContact CD1-CG 3.91Å; F35-R118 HydrophobicContact CD2-CG 3.92Å; F35-R118 HydrophobicContact CE1-CB 4.25Å; F35-R118 HydrophobicContact CE1-CG 3.66Å; F35-R118 HydrophobicContact CE2-CB 4.14Å; F35-R118 HydrophobicContact CE2-CG 3.68Å; F35-R118 HydrophobicContact CG-CG 4.04Å; F35-R118 HydrophobicContact CZ-CB 3.83Å; F35-R118 HydrophobicContact CZ-CG 3.56Å; F35-Q121 HydrophobicContact CE1-CB 4.03Å; F35-Q121 HydrophobicContact CE1-CG 3.97Å; F35-Q121 HydrophobicContact CZ-CB 3.85Å; F35-Q121 HydrophobicContact CZ-CG 4.31Å
36F96Very high86.8Confident69 Ų6976.6 Ų76.630%0.30339%0.39SS..Hα-helixtrans-67.1-37.3177.2-71-55.7000112Y31 M32 E33 Q38 V39 E40 I117Y31-F36 HydrophobicContact CD1-CE2 4.38Å; M32-F36 HydrophobicContact CB-CD2 3.81Å; M32-F36 HydrophobicContact CB-CE2 3.54Å; M32-F36 HydrophobicContact CB-CZ 4.28Å; M32-F36 WeakPolarHBondContact O-CD2 2.97Å; M32-F36 PolarHBondContact O-N 3.38Å; E33-F36 PolarHBondContact O-N 3.49Å; F36-Q38 PolarHBondContact O-N 3.18Å; F36-V39 WeakPolarHBondContact O-CB 3.29Å; F36-V39 PolarHBondContact O-N 3.07Å; F36-E40 WeakPolarHBondContact O-CG 3.35Å; F36-E40 PolarHBondContact O-N 2.89Å; F36-I117 HydrophobicContact CE1-CG2 4.06Å; F36-I117 HydrophobicContact CZ-CG2 4.04Å
37E96.2Very high88.9Confident139 Ų13973.4 Ų73.465%0.6537%0.369SS*.Hα-helixtrans-60.1-45.4172.2-172.1178.7-172.300111.2E33 E34 V39 E40 E41E33-E37 PolarHBondContact O-N 3.05Å; E34-E37 PolarHBondContact O-N 3.32Å; E37-V39 VanDerWaalsContact C-N 3.34Å; E37-V39 PolarHBondContact O-N 3.04Å; E37-E40 PolarHBondContact O-N 2.94Å; E37-E41 PolarHBondContact O-N 3.37Å
38Q96.4Very high91.2Very high56 Ų5671.1 Ų71.126%0.26236%0.356SS..Hα-helixtrans-60.4-41.9174.3-71.4178.242.300112.2E34 F35 F36 E41 I42E34-Q38 VanDerWaalsContact O-CG 3.31Å; E34-Q38 WeakPolarHBondContact O-CG 3.46Å; E34-Q38 PolarHBondContact O-N 3.14Å; F35-Q38 PolarHBondContact O-N 3.01Å; F36-Q38 PolarHBondContact O-N 3.18Å; Q38-E41 PolarHBondContact O-N 2.92Å; Q38-I42 VanDerWaalsContact O-CG1 3.25Å; Q38-I42 WeakPolarHBondContact O-CG1 3.17Å; Q38-I42 PolarHBondContact O-N 2.96Å
39V97.5Very high93.3Very high1 Ų168.7 Ų68.71%0.00633%0.331CS..Hα-helixtrans-61.6-45.6176.6162.40000111.5F35 F36 E37 I42 R43 Q121 L125F35-V39 HydrophobicContact CD1-CG2 4.22Å; F35-V39 HydrophobicContact CE1-CG2 3.66Å; F35-V39 HydrophobicContact CE2-CG2 4.03Å; F35-V39 HydrophobicContact CZ-CG2 3.53Å; F35-V39 WeakPolarHBondContact O-CG2 3.44Å; F35-V39 PolarHBondContact O-N 3.33Å; F36-V39 WeakPolarHBondContact O-CB 3.29Å; F36-V39 PolarHBondContact O-N 3.07Å; E37-V39 VanDerWaalsContact C-N 3.34Å; E37-V39 PolarHBondContact O-N 3.04Å; V39-I42 PolarHBondContact O-N 3.44Å; V39-R43 WeakPolarHBondContact O-CB 3.31Å; V39-R43 PolarHBondContact O-N 2.9Å; V39-Q121 HydrophobicContact CG2-CB 4.02Å; V39-Q121 HydrophobicContact CG2-CG 4.29Å; V39-L125 HydrophobicContact CB-CD1 4.39Å; V39-L125 HydrophobicContact CG1-CD1 4.15Å; V39-L125 HydrophobicContact CG2-CD1 4.13Å
40E97.6Very high95.3Very high96 Ų9663.8 Ų63.845%0.44931%0.309SS..Hα-helixtrans-65.8-39.2177.5-69.1-50.8139.800111.7F36 E37 I42 R43 G44F36-E40 WeakPolarHBondContact O-CG 3.35Å; F36-E40 PolarHBondContact O-N 2.89Å; E37-E40 PolarHBondContact O-N 2.94Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 3.17Å; E40-R43 PolarHBondContact O-N 3.38Å; E40-R43 IonicContact OE1-CZ 2.68Å; E40-R43 IonicContact OE1-NH1 2.6Å; E40-R43 PolarHBondContact OE1-NH1 3.16Å; E40-R43 IonicContact OE1-NH2 2.7Å; E40-R43 PolarHBondContact OE1-NH2 3.46Å; E40-R43 IonicContact OE2-CZ 2.62Å; E40-R43 IonicContact OE2-NH1 2.61Å; E40-R43 PolarHBondContact OE2-NH1 3.42Å; E40-G44 PolarHBondContact O-N 3.07Å
41E97.9Very high96.3Very high86 Ų8660.5 Ų60.540%0.40230%0.3SS..Hα-helixtrans-64.4-39.6176.1-158.4-163.7143.500111.7E37 Q38 S45 K90 K94E37-E41 PolarHBondContact O-N 3.37Å; Q38-E41 PolarHBondContact O-N 2.92Å; E41-S45 WeakPolarHBondContact O-CB 3.41Å; E41-S45 PolarHBondContact O-N 3.45Å; E41-S45 PolarHBondContact O-OG 3Å; E41-K90 IonicContact OE1-NZ 2.81Å; E41-K90 PolarHBondContact OE1-NZ 3.33Å; E41-K94 IonicContact OE1-NZ 3.57Å; E41-K94 PolarHBondContact OE1-NZ 3.25Å; E41-K94 IonicContact OE2-NZ 2.68Å; E41-K94 PolarHBondContact OE2-NZ 3.28Å
42I98.5Very high96.9Very high0 Ų056.1 Ų56.10%028%0.284CS..Hα-helixtrans-65.2-45.1174.6-65.7164.4000110.2Q38 V39 E40 S45 I46 V91 K94 L95 I98 L125Q38-I42 VanDerWaalsContact O-CG1 3.25Å; Q38-I42 WeakPolarHBondContact O-CG1 3.17Å; Q38-I42 PolarHBondContact O-N 2.96Å; V39-I42 PolarHBondContact O-N 3.44Å; E40-I42 VanDerWaalsContact C-N 3.34Å; E40-I42 PolarHBondContact O-N 3.17Å; I42-S45 WeakPolarHBondContact O-CB 3.46Å; I42-S45 PolarHBondContact O-N 3.43Å; I42-I46 HydrophobicContact CG2-CD1 3.85Å; I42-I46 HydrophobicContact CG2-CG1 4.4Å; I42-I46 WeakPolarHBondContact O-CG1 3.23Å; I42-I46 PolarHBondContact O-N 3.08Å; I42-V91 HydrophobicContact CG2-CG1 4.13Å; I42-K94 HydrophobicContact CD1-CB 3.81Å; I42-K94 HydrophobicContact CD1-CD 4.3Å; I42-K94 HydrophobicContact CG1-CB 3.9Å; I42-K94 HydrophobicContact CG1-CD 3.66Å; I42-L95 HydrophobicContact CD1-CD2 4.45Å; I42-L95 HydrophobicContact CG2-CD2 4.3Å; I42-I98 HydrophobicContact CD1-CD1 3.45Å; I42-I98 VanDerWaalsContact CD1-CD1 3.45Å; I42-L125 HydrophobicContact CB-CD1 4.14Å; I42-L125 HydrophobicContact CD1-CD1 4.23Å; I42-L125 HydrophobicContact CG2-CB 4.3Å; I42-L125 HydrophobicContact CG2-CD1 3.96Å; I42-L125 HydrophobicContact CG2-CD2 4.18Å; I42-L125 HydrophobicContact CG2-CG 4.39Å
43R98.5Very high97.4Very high79 Ų7954.4 Ų54.430%0.29828%0.276SS..Hα-helixtrans-59.1-50.7178.5-173.6-177-63.2151.38.5111.4V39 E40 S45 I46 D47 L125V39-R43 WeakPolarHBondContact O-CB 3.31Å; V39-R43 PolarHBondContact O-N 2.9Å; E40-R43 PolarHBondContact O-N 3.38Å; E40-R43 IonicContact OE1-CZ 2.68Å; E40-R43 IonicContact OE1-NH1 2.6Å; E40-R43 PolarHBondContact OE1-NH1 3.16Å; E40-R43 IonicContact OE1-NH2 2.7Å; E40-R43 PolarHBondContact OE1-NH2 3.46Å; E40-R43 IonicContact OE2-CZ 2.62Å; E40-R43 IonicContact OE2-NH1 2.61Å; E40-R43 PolarHBondContact OE2-NH1 3.42Å; R43-S45 VanDerWaalsContact C-N 3.26Å; R43-S45 PolarHBondContact O-N 3.33Å; R43-I46 PolarHBondContact O-N 3.02Å; R43-I46 VanDerWaalsContact O-N 3.09Å; R43-D47 PolarHBondContact O-N 3.44Å; R43-L125 HydrophobicContact CB-CD2 4.16Å
44G98.6Very high97.7Very high41 Ų4153.4 Ų53.442%0.42327%0.271SS..Hα-helixtrans-60.1-36.4176.800000112.6E40 D47 L48E40-G44 PolarHBondContact O-N 3.07Å; G44-D47 PolarHBondContact O-N 2.91Å; G44-L48 WeakPolarHBondContact O-CB 3.3Å; G44-L48 PolarHBondContact O-N 3.49Å
45S98.6Very high97.9Very high17 Ų1749.8 Ų49.812%0.11925%0.254CS..Hα-helixtrans-66.2-39.8174-60.60000112.5E41 I42 R43 L48 I49 T87 V91E41-S45 WeakPolarHBondContact O-CB 3.41Å; E41-S45 PolarHBondContact O-N 3.45Å; E41-S45 PolarHBondContact O-OG 3Å; I42-S45 WeakPolarHBondContact O-CB 3.46Å; I42-S45 PolarHBondContact O-N 3.43Å; R43-S45 VanDerWaalsContact C-N 3.26Å; R43-S45 PolarHBondContact O-N 3.33Å; S45-L48 PolarHBondContact O-N 2.67Å; S45-I49 VanDerWaalsContact O-CG1 3.28Å; S45-I49 WeakPolarHBondContact O-CG1 3.29Å; S45-I49 PolarHBondContact O-N 2.76Å; S45-I49 VanDerWaalsContact O-N 3.07Å; S45-T87 WeakPolarHBondContact O-CG2 3.49Å; S45-V91 VanDerWaalsContact CB-CG2 3.43Å
46I98.8Very high98.1Very high0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-65.7-42.5175.5-67166.3000110.5I42 R43 L48 I49 A50 V91 L125 K128 F129 V132I42-I46 HydrophobicContact CG2-CD1 3.85Å; I42-I46 HydrophobicContact CG2-CG1 4.4Å; I42-I46 WeakPolarHBondContact O-CG1 3.23Å; I42-I46 PolarHBondContact O-N 3.08Å; R43-I46 PolarHBondContact O-N 3.02Å; R43-I46 VanDerWaalsContact O-N 3.09Å; I46-L48 VanDerWaalsContact C-N 3.35Å; I46-I49 WeakPolarHBondContact O-CB 3.46Å; I46-I49 PolarHBondContact O-N 3.12Å; I46-A50 PolarHBondContact O-N 3.46Å; I46-V91 HydrophobicContact CD1-CG1 4.3Å; I46-V91 HydrophobicContact CG1-CG1 3.98Å; I46-V91 HydrophobicContact CG1-CG2 4.19Å; I46-L125 HydrophobicContact CD1-CB 4.42Å; I46-L125 HydrophobicContact CD1-CD2 4.27Å; I46-K128 HydrophobicContact CG2-CB 4.48Å; I46-K128 HydrophobicContact CG2-CD 3.96Å; I46-K128 HydrophobicContact CG2-CG 3.84Å; I46-F129 HydrophobicContact CD1-CB 3.95Å; I46-F129 HydrophobicContact CG1-CB 4.23Å; I46-F129 HydrophobicContact CG1-CD2 4.31Å; I46-V132 HydrophobicContact CG2-CB 4.49Å; I46-V132 HydrophobicContact CG2-CG2 3.9Å
47D98.7Very high98.2Very high58 Ų5848.8 Ų48.831%0.3125%0.25SC..Hα-helixtrans-64.6-39.1177.2-68.2-31.2000111.7R43 G44 I49 A50 N51 K128R43-D47 PolarHBondContact O-N 3.44Å; G44-D47 PolarHBondContact O-N 2.91Å; D47-I49 VanDerWaalsContact C-N 3.34Å; D47-I49 PolarHBondContact O-N 3.37Å; D47-A50 PolarHBondContact O-N 3.25Å; D47-N51 VanDerWaalsContact O-CG 3.29Å; D47-N51 PolarHBondContact O-N 3.35Å; D47-N51 PolarHBondContact O-ND2 3.43Å; D47-K128 WeakPolarHBondContact OD1-CE 3.37Å; D47-K128 IonicContact OD1-NZ 2.92Å; D47-K128 PolarHBondContact OD1-NZ 3.16Å; D47-K128 IonicContact OD2-NZ 3.59Å
48L98.5Very high98.2Very high78 Ų7848 Ų4841%0.40824%0.244SC..Hα-helixtrans-60-42.8172178.461.5000111.9G44 S45 I46 N51 N52 T87G44-L48 WeakPolarHBondContact O-CB 3.3Å; G44-L48 PolarHBondContact O-N 3.49Å; S45-L48 PolarHBondContact O-N 2.67Å; I46-L48 VanDerWaalsContact C-N 3.35Å; L48-N51 PolarHBondContact O-N 2.61Å; L48-N52 VanDerWaalsContact O-CG 3.25Å; L48-N52 PolarHBondContact O-N 3.3Å; L48-N52 PolarHBondContact O-ND2 3.5Å; L48-T87 HydrophobicContact CD2-CG2 4.25Å
49I98.7Very high98.2Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-61.7-49.3175.6-63.5161.9000109.6S45 I46 D47 N51 N52 V53 I84 T87 A88 V91 F129 V132 M133S45-I49 VanDerWaalsContact O-CG1 3.28Å; S45-I49 WeakPolarHBondContact O-CG1 3.29Å; S45-I49 PolarHBondContact O-N 2.76Å; S45-I49 VanDerWaalsContact O-N 3.07Å; I46-I49 WeakPolarHBondContact O-CB 3.46Å; I46-I49 PolarHBondContact O-N 3.12Å; D47-I49 VanDerWaalsContact C-N 3.34Å; D47-I49 PolarHBondContact O-N 3.37Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 2.78Å; I49-N52 PolarHBondContact O-N 2.95Å; I49-N52 VanDerWaalsContact O-N 3.11Å; I49-V53 HydrophobicContact CG2-CG2 4.21Å; I49-V53 VanDerWaalsContact O-CG2 3.29Å; I49-V53 WeakPolarHBondContact O-CG2 3.42Å; I49-V53 PolarHBondContact O-N 2.81Å; I49-I84 HydrophobicContact CG2-CG1 4.49Å; I49-I84 HydrophobicContact CG2-CG2 4.12Å; I49-T87 HydrophobicContact CD1-CG2 3.95Å; I49-T87 HydrophobicContact CG1-CG2 3.69Å; I49-A88 HydrophobicContact CD1-CB 3.98Å; I49-V91 HydrophobicContact CD1-CG2 4.17Å; I49-F129 HydrophobicContact CD1-CD2 4.43Å; I49-F129 HydrophobicContact CD1-CE2 4.07Å; I49-V132 HydrophobicContact CB-CG1 4Å; I49-V132 HydrophobicContact CG2-CG1 3.5Å; I49-M133 HydrophobicContact CG2-SD 4.12Å
50A98.7Very high98.1Very high30 Ų3048 Ų4825%0.24824%0.243CC..Hα-helixtrans-56.7-45.1-179.800000112.2I46 D47 N52 V53 E54 V132I46-A50 PolarHBondContact O-N 3.46Å; D47-A50 PolarHBondContact O-N 3.25Å; A50-N52 PolarHBondContact O-N 2.9Å; A50-V53 WeakPolarHBondContact O-CB 3.41Å; A50-V53 PolarHBondContact O-N 2.68Å; A50-E54 PolarHBondContact O-N 3.35Å; A50-E54 VanDerWaalsContact O-N 3.14Å; A50-V132 HydrophobicContact CB-CG1 4.05Å; A50-V132 HydrophobicContact CB-CG2 3.98Å
51N98.7Very high98Very high105 Ų10546.7 Ų46.756%0.56125%0.245SC*.Hα-helixtrans-61.5-43.6175.9-69.7-27.5000112D47 L48 I49 V53 E54 E55D47-N51 VanDerWaalsContact O-CG 3.29Å; D47-N51 PolarHBondContact O-N 3.35Å; D47-N51 PolarHBondContact O-ND2 3.43Å; L48-N51 PolarHBondContact O-N 2.61Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 2.78Å; N51-V53 VanDerWaalsContact C-N 3.3Å; N51-V53 PolarHBondContact O-N 3.32Å; N51-E54 PolarHBondContact O-N 3.02Å; N51-E55 PolarHBondContact O-N 3.31Å; N51-E55 VanDerWaalsContact O-N 3.07Å
52N98.5Very high97.8Very high21 Ų2144.1 Ų44.111%0.11224%0.239CC..Hα-helixtrans-65.5-34.1177.1-69.5-21.4000112.1L48 I49 A50 E54 E55 V56 L80 S83 I84L48-N52 VanDerWaalsContact O-CG 3.25Å; L48-N52 PolarHBondContact O-N 3.3Å; L48-N52 PolarHBondContact O-ND2 3.5Å; I49-N52 PolarHBondContact O-N 2.95Å; I49-N52 VanDerWaalsContact O-N 3.11Å; A50-N52 PolarHBondContact O-N 2.9Å; N52-E54 VanDerWaalsContact C-N 3.33Å; N52-E55 PolarHBondContact O-N 3.44Å; N52-V56 VanDerWaalsContact O-CG2 3.31Å; N52-V56 WeakPolarHBondContact O-CG2 3.49Å; N52-V56 PolarHBondContact O-N 3.21Å; N52-L80 HydrophobicContact CB-CD2 4.18Å; N52-S83 PolarHBondContact ND2-OG 3.42Å; N52-I84 HydrophobicContact CB-CD1 3.81Å; N52-I84 HydrophobicContact CB-CG1 3.51Å
53V98.6Very high97.5Very high0 Ų044.5 Ų44.50%024%0.24CC..Hα-helixtrans-62.2-42.1174.6173.80000110.8I49 A50 N51 V56 K57 I84 D135 Y136I49-V53 HydrophobicContact CG2-CG2 4.21Å; I49-V53 VanDerWaalsContact O-CG2 3.29Å; I49-V53 WeakPolarHBondContact O-CG2 3.42Å; I49-V53 PolarHBondContact O-N 2.81Å; A50-V53 WeakPolarHBondContact O-CB 3.41Å; A50-V53 PolarHBondContact O-N 2.68Å; N51-V53 VanDerWaalsContact C-N 3.3Å; N51-V53 PolarHBondContact O-N 3.32Å; V53-V56 WeakPolarHBondContact O-CB 3.35Å; V53-V56 PolarHBondContact O-N 2.89Å; V53-K57 WeakPolarHBondContact O-CG 3.43Å; V53-K57 PolarHBondContact O-N 3.11Å; V53-I84 HydrophobicContact CG2-CD1 4.07Å; V53-D135 WeakPolarHBondContact CG1-OD2 3.46Å; V53-Y136 HydrophobicContact CG2-CD2 3.84Å; V53-Y136 HydrophobicContact CG2-CG 4.11Å
54E98.5Very high97.2Very high89 Ų8942.2 Ų42.242%0.41623%0.234SC..Hα-helixtrans-63.4-40.6174.2-70.1-56.1129.700112.4A50 N51 N52 K57 K58A50-E54 PolarHBondContact O-N 3.35Å; A50-E54 VanDerWaalsContact O-N 3.14Å; N51-E54 PolarHBondContact O-N 3.02Å; N52-E54 VanDerWaalsContact C-N 3.33Å; E54-K57 WeakPolarHBondContact O-CB 3.46Å; E54-K57 PolarHBondContact O-N 3.11Å; E54-K57 IonicContact OE1-NZ 2.63Å; E54-K57 PolarHBondContact OE1-NZ 3.47Å; E54-K58 WeakPolarHBondContact O-CG 3.25Å; E54-K58 PolarHBondContact O-N 2.6Å; E54-K58 VanDerWaalsContact O-N 3.16Å
55E98.3Very high96.8Very high66 Ų6644 Ų4431%0.30824%0.24SC..Hα-helixtrans-64.5-40.5173.9-68.7-54.2126.600112.2N51 N52 K57 K58 K59 L80N51-E55 PolarHBondContact O-N 3.31Å; N51-E55 VanDerWaalsContact O-N 3.07Å; N52-E55 PolarHBondContact O-N 3.44Å; E55-K57 VanDerWaalsContact C-N 3.32Å; E55-K57 PolarHBondContact O-N 3.14Å; E55-K58 WeakPolarHBondContact O-CB 3.47Å; E55-K58 PolarHBondContact O-N 3.36Å; E55-K58 VanDerWaalsContact O-N 3.11Å; E55-K58 IonicContact OE1-NZ 3.13Å; E55-K58 PolarHBondContact OE1-NZ 3.39Å; E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 3Å; E55-L80 HydrophobicContact CB-CD1 3.68Å; E55-L80 HydrophobicContact CB-CD2 3.94Å; E55-L80 HydrophobicContact CB-CG 4.49Å
56V98.4Very high96.2Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-57.4-44173.2166.70000111.1N52 V53 K58 K59 H60 L77 L80 M81 I84 T139N52-V56 VanDerWaalsContact O-CG2 3.31Å; N52-V56 WeakPolarHBondContact O-CG2 3.49Å; N52-V56 PolarHBondContact O-N 3.21Å; V53-V56 WeakPolarHBondContact O-CB 3.35Å; V53-V56 PolarHBondContact O-N 2.89Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 2.93Å; V56-K59 PolarHBondContact O-N 3.44Å; V56-H60 WeakPolarHBondContact CG1-NE2 3.29Å; V56-H60 WeakPolarHBondContact O-CB 3.38Å; V56-H60 VanDerWaalsContact O-CG 3.3Å; V56-H60 PolarHBondContact O-N 3.43Å; V56-L77 HydrophobicContact CB-CD1 4.28Å; V56-L77 HydrophobicContact CG1-CD1 3.86Å; V56-L77 HydrophobicContact CG2-CD1 4.06Å; V56-L80 HydrophobicContact CG2-CB 3.79Å; V56-L80 HydrophobicContact CG2-CD1 4.34Å; V56-M81 HydrophobicContact CG2-CG 4.39Å; V56-I84 HydrophobicContact CG2-CD1 3.82Å; V56-T139 HydrophobicContact CG1-CG2 3.97Å
57K97.8Very high95.1Very high62 Ų6252.6 Ų52.627%0.2729%0.291SS..Hα-helixtrans-57.5-43.2175.5-69.5172.4-173.6167.70111.7V53 E54 E55 S61 D135 T139V53-K57 WeakPolarHBondContact O-CG 3.43Å; V53-K57 PolarHBondContact O-N 3.11Å; E54-K57 WeakPolarHBondContact O-CB 3.46Å; E54-K57 PolarHBondContact O-N 3.11Å; E54-K57 IonicContact OE1-NZ 2.63Å; E54-K57 PolarHBondContact OE1-NZ 3.47Å; E55-K57 VanDerWaalsContact C-N 3.32Å; E55-K57 PolarHBondContact O-N 3.14Å; K57-S61 WeakPolarHBondContact O-CB 3.28Å; K57-S61 PolarHBondContact O-N 3.04Å; K57-D135 WeakPolarHBondContact CE-OD2 3.46Å; K57-D135 VanDerWaalsContact NZ-CG 3.31Å; K57-D135 IonicContact NZ-OD1 3.31Å; K57-D135 PolarHBondContact NZ-OD1 3.21Å; K57-D135 VanDerWaalsContact NZ-OD1 3.13Å; K57-D135 IonicContact NZ-OD2 3.19Å; K57-D135 PolarHBondContact NZ-OD2 2.84Å; K57-T139 WeakPolarHBondContact CE-OG1 3.48Å; K57-T139 HydrophobicContact CG-CG2 3.52Å
58K96.8Very high94.1Very high122 Ų12255.7 Ų55.753%0.5331%0.311SS..Hα-helixtrans-63.9-47.1177.2-65.9172.9-171.5169.60111.7E54 E55 V56 S61 A62E54-K58 WeakPolarHBondContact O-CG 3.25Å; E54-K58 PolarHBondContact O-N 2.6Å; E54-K58 VanDerWaalsContact O-N 3.16Å; E55-K58 WeakPolarHBondContact O-CB 3.47Å; E55-K58 PolarHBondContact O-N 3.36Å; E55-K58 VanDerWaalsContact O-N 3.11Å; E55-K58 IonicContact OE1-NZ 3.13Å; E55-K58 PolarHBondContact OE1-NZ 3.39Å; V56-K58 VanDerWaalsContact C-N 3.31Å; V56-K58 PolarHBondContact O-N 2.93Å; K58-S61 WeakPolarHBondContact O-CB 3.41Å; K58-S61 PolarHBondContact O-N 3.22Å; K58-A62 PolarHBondContact O-N 3.38Å
59K95.7Very high93.1Very high48 Ų4855 Ų5521%0.20931%0.308CS..Hα-helixtrans-63.6-42.9178.1-59.5-60.4172.2-178.90111.8E55 V56 S61 A62 I63 T73 E76 L77 L80E55-K59 WeakPolarHBondContact O-CG 3.38Å; E55-K59 PolarHBondContact O-N 3Å; V56-K59 PolarHBondContact O-N 3.44Å; K59-S61 VanDerWaalsContact C-N 3.32Å; K59-S61 PolarHBondContact O-N 3.45Å; K59-A62 PolarHBondContact O-N 2.93Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.21Å; K59-I63 PolarHBondContact O-N 2.8Å; K59-T73 HydrophobicContact CB-CG2 4.48Å; K59-T73 HydrophobicContact CD-CG2 4.12Å; K59-E76 WeakPolarHBondContact CE-OE2 3.34Å; K59-E76 IonicContact NZ-OE2 2.71Å; K59-E76 PolarHBondContact NZ-OE2 2.94Å; K59-L77 HydrophobicContact CB-CB 4.16Å; K59-L77 HydrophobicContact CB-CD1 4.19Å; K59-L80 HydrophobicContact CG-CD1 3.97Å
60H95.7Very high92.5Very high9 Ų958.4 Ų58.44%0.04233%0.326CS..Hα-helixtrans-56.5-45172.2-76.4-18.2000112.2V56 I63 L64 Y143V56-H60 WeakPolarHBondContact CG1-NE2 3.29Å; V56-H60 WeakPolarHBondContact O-CB 3.38Å; V56-H60 VanDerWaalsContact O-CG 3.3Å; V56-H60 PolarHBondContact O-N 3.43Å; H60-I63 PolarHBondContact O-N 3.36Å; H60-L64 WeakPolarHBondContact O-CB 3.39Å; H60-L64 VanDerWaalsContact O-CG 3.26Å; H60-L64 WeakPolarHBondContact O-CG 3.39Å; H60-L64 PolarHBondContact O-N 3.23Å; H60-Y143 HydrophobicContact CB-CD2 3.5Å; H60-Y143 HydrophobicContact CB-CE2 3.97Å; H60-Y143 HydrophobicContact CB-CG 4.12Å; H60-Y143 VanDerWaalsContact CD2-CB 3.46Å; H60-Y143 WeakPolarHBondContact CD2-CB 3.3Å; H60-Y143 AromaticContact CD2-CD2 3.95Å; H60-Y143 AromaticContact CD2-CG 3.63Å; H60-Y143 AromaticContact CE1-CD1 3.4Å; H60-Y143 VanDerWaalsContact CE1-CD1 3.4Å; H60-Y143 WeakPolarHBondContact CE1-CD1 3.43Å; H60-Y143 AromaticContact CE1-CE1 3.75Å; H60-Y143 AromaticContact CE1-CG 3.55Å; H60-Y143 AromaticContact CG-CD2 3.38Å; H60-Y143 AromaticContact CG-CE2 3.89Å; H60-Y143 AromaticContact CG-CG 3.51Å; H60-Y143 AromaticContact ND1-CD1 3.64Å; H60-Y143 AromaticContact ND1-CD2 3.44Å; H60-Y143 WeakPolarHBondContact ND1-CD2 3.41Å; H60-Y143 AromaticContact ND1-CE1 3.77Å; H60-Y143 AromaticContact ND1-CE2 3.56Å; H60-Y143 AromaticContact ND1-CG 3.47Å; H60-Y143 AromaticContact ND1-CZ 3.73Å; H60-Y143 AromaticContact NE2-CD1 3.79Å; H60-Y143 AromaticContact NE2-CG 3.66Å
61S94.8Very high92.1Very high70 Ų7061.7 Ų61.749%0.4935%0.345SS..Hα-helixtrans-63.2-42.8176.7-174.80000112.6K57 K58 K59 I63 L64 S65K57-S61 WeakPolarHBondContact O-CB 3.28Å; K57-S61 PolarHBondContact O-N 3.04Å; K58-S61 WeakPolarHBondContact O-CB 3.41Å; K58-S61 PolarHBondContact O-N 3.22Å; K59-S61 VanDerWaalsContact C-N 3.32Å; K59-S61 PolarHBondContact O-N 3.45Å; S61-I63 PolarHBondContact O-N 3.07Å; S61-L64 PolarHBondContact O-N 2.96Å; S61-S65 WeakPolarHBondContact O-CB 3.44Å; S61-S65 PolarHBondContact O-N 2.96Å; S61-S65 PolarHBondContact O-OG 3.35Å
62A93.6Very high91.8Very high32 Ų3262.9 Ų62.926%0.26435%0.346SS..Hα-helixtrans-61.8-43176.600000112.3K58 K59 L64 S65 N66 T73K58-A62 PolarHBondContact O-N 3.38Å; K59-A62 PolarHBondContact O-N 2.93Å; A62-L64 VanDerWaalsContact C-N 3.35Å; A62-L64 PolarHBondContact O-N 3.38Å; A62-S65 WeakPolarHBondContact CA-OG 3.42Å; A62-S65 PolarHBondContact O-N 2.93Å; A62-S65 PolarHBondContact O-OG 2.93Å; A62-S65 VanDerWaalsContact O-OG 3.14Å; A62-N66 PolarHBondContact O-N 2.93Å; A62-N66 PolarHBondContact O-ND2 3.45Å; A62-T73 HydrophobicContact CB-CG2 4.24Å
63I93Very high91.6Very high7 Ų762.9 Ų62.94%0.03635%0.346CS..Hα-helixtrans-66.5-37.1176.7-65.7166.4000111.4K59 H60 S61 T73 K74 L77 Y143 R150K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.21Å; K59-I63 PolarHBondContact O-N 2.8Å; H60-I63 PolarHBondContact O-N 3.36Å; S61-I63 PolarHBondContact O-N 3.07Å; I63-T73 HydrophobicContact CD1-CG2 4.22Å; I63-T73 HydrophobicContact CG1-CG2 3.75Å; I63-K74 HydrophobicContact CD1-CG 4.24Å; I63-L77 HydrophobicContact CD1-CD2 3.63Å; I63-Y143 HydrophobicContact CG2-CE2 4.47Å; I63-Y143 WeakPolarHBondContact CG2-OH 3.42Å; I63-R150 PolarHBondContact O-NH1 3.25Å
64L92.4Very high91.3Very high31 Ų3167.5 Ų67.516%0.16237%0.366CS..Hα-helixtrans-73.8-32.7179.8-71.7174000113.5H60 S61 A62 Y143 R146H60-L64 WeakPolarHBondContact O-CB 3.39Å; H60-L64 VanDerWaalsContact O-CG 3.26Å; H60-L64 WeakPolarHBondContact O-CG 3.39Å; H60-L64 PolarHBondContact O-N 3.23Å; S61-L64 PolarHBondContact O-N 2.96Å; A62-L64 VanDerWaalsContact C-N 3.35Å; A62-L64 PolarHBondContact O-N 3.38Å; L64-Y143 HydrophobicContact CD1-CD2 3.88Å; L64-Y143 HydrophobicContact CD1-CE2 4.24Å; L64-Y143 HydrophobicContact CD2-CD2 4.41Å; L64-Y143 HydrophobicContact CD2-CE2 4.13Å; L64-Y143 HydrophobicContact CG-CD2 4.07Å; L64-Y143 HydrophobicContact CG-CE2 3.89Å; L64-R146 HydrophobicContact CD1-CB 3.69Å; L64-R146 VanDerWaalsContact CD1-CD 3.47Å; L64-R146 HydrophobicContact CD1-CG 4.24Å; L64-R146 HydrophobicContact CD2-CB 4.08Å
65S91.1Very high91.2Very high80 Ų8069 Ų6956%0.55937%0.374SS*.Hα-helixtrans-81.8-28.1-178.2510000113.6S61 A62S61-S65 WeakPolarHBondContact O-CB 3.44Å; S61-S65 PolarHBondContact O-N 2.96Å; S61-S65 PolarHBondContact O-OG 3.35Å; A62-S65 WeakPolarHBondContact CA-OG 3.42Å; A62-S65 PolarHBondContact O-N 2.93Å; A62-S65 PolarHBondContact O-OG 2.93Å; A62-S65 VanDerWaalsContact O-OG 3.14Å
66N85.9Confident91.1Very high83 Ų8368.4 Ų68.444%0.44437%0.371SS..  trans-91.9128.1179.4-70.8-31.5000111.8A62 V68 R150A62-N66 PolarHBondContact O-N 2.93Å; A62-N66 PolarHBondContact O-ND2 3.45Å; N66-V68 VanDerWaalsContact C-N 3.3Å; N66-R150 PolarHBondContact O-NH2 3.44Å
67P75.4Confident91.1Very high114 Ų11468.8 Ų68.874%0.7437%0.372SS*.SBendtrans-66-34.5173.7-19.931.4000112.4
68V77.6Confident91Very high122 Ų12271.4 Ų71.474%0.73939%0.386SS*.SBendtrans-99.3113.4175.7-175.70000107.5N66 D70N66-V68 VanDerWaalsContact C-N 3.3Å; V68-D70 PolarHBondContact O-N 3.32Å
69N75.9Confident91.1Very high63 Ų6371.3 Ų71.334%0.33739%0.387SS..  trans-71.4120.9178.3-59.6-52.4000109.5P71N69-P71 WeakPolarHBondContact O-CD 3.44Å
70D86.3Confident91.2Very high72 Ų7270.4 Ų70.439%0.38538%0.384SS..  trans-70.8120170.5169.136.6000110.1V68 K72 T73 K74V68-D70 PolarHBondContact O-N 3.32Å; D70-K72 PolarHBondContact O-N 3.46Å; D70-K72 PolarHBondContact OD1-N 3.02Å; D70-T73 PolarHBondContact O-N 2.63Å; D70-T73 PolarHBondContact OD2-N 3.31Å; D70-T73 PolarHBondContact OD2-OG1 2.76Å; D70-K74 PolarHBondContact O-N 3.21Å
71P91.1Very high91.3Very high99 Ų9971.9 Ų71.964%0.64339%0.392SS*.Hα-helixtrans-56-37.2178.9-25.534.9000113.1N69 K74 E75N69-P71 WeakPolarHBondContact O-CD 3.44Å; P71-K74 WeakPolarHBondContact O-CB 3.45Å; P71-K74 PolarHBondContact O-N 2.94Å; P71-E75 PolarHBondContact O-N 3.37Å
72K93.2Very high91.5Very high131 Ų13171.4 Ų71.457%0.5739%0.392SS*.Hα-helixtrans-64.3-43.7179.9-178.5177.7179179.70111.5D70 K74 E75 E76D70-K72 PolarHBondContact O-N 3.46Å; D70-K72 PolarHBondContact OD1-N 3.02Å; K72-K74 PolarHBondContact O-N 2.91Å; K72-E75 PolarHBondContact O-N 2.92Å; K72-E76 WeakPolarHBondContact CE-OE1 3.34Å; K72-E76 HydrophobicContact CG-CG 4.49Å; K72-E76 WeakPolarHBondContact O-CG 3.37Å; K72-E76 PolarHBondContact O-N 3.26Å
73T93.8Very high91.7Very high21 Ų2172 Ų7213%0.12939%0.394CS..Hα-helixtrans-59.2-34.6175-61.10000112.7K59 A62 I63 D70 L77K59-T73 HydrophobicContact CB-CG2 4.48Å; K59-T73 HydrophobicContact CD-CG2 4.12Å; A62-T73 HydrophobicContact CB-CG2 4.24Å; I63-T73 HydrophobicContact CD1-CG2 4.22Å; I63-T73 HydrophobicContact CG1-CG2 3.75Å; D70-T73 PolarHBondContact O-N 2.63Å; D70-T73 PolarHBondContact OD2-N 3.31Å; D70-T73 PolarHBondContact OD2-OG1 2.76Å; T73-L77 WeakPolarHBondContact O-CB 3.36Å; T73-L77 PolarHBondContact O-N 2.89Å
74K92.6Very high92Very high96 Ų9671.7 Ų71.742%0.41739%0.393SS..Hα-helixtrans-71.2-43.1175.4-76.8-175.9172.31790112.3I63 D70 P71 K72 L77 E78I63-K74 HydrophobicContact CD1-CG 4.24Å; D70-K74 PolarHBondContact O-N 3.21Å; P71-K74 WeakPolarHBondContact O-CB 3.45Å; P71-K74 PolarHBondContact O-N 2.94Å; K72-K74 PolarHBondContact O-N 2.91Å; K74-L77 WeakPolarHBondContact O-CB 3.35Å; K74-L77 PolarHBondContact O-N 3.01Å; K74-E78 WeakPolarHBondContact O-CG 3.34Å; K74-E78 PolarHBondContact O-N 3.39Å
75E96.2Very high92.3Very high122 Ų12277.2 Ų77.257%0.5742%0.415SS*.Hα-helixtrans-59-49.2176.3-176174.3-158.800111.1P71 K72 L77 E78 E79P71-E75 PolarHBondContact O-N 3.37Å; K72-E75 PolarHBondContact O-N 2.92Å; E75-L77 VanDerWaalsContact C-N 3.26Å; E75-L77 PolarHBondContact O-N 3.34Å; E75-E78 PolarHBondContact O-N 2.86Å; E75-E78 VanDerWaalsContact O-N 3.13Å; E75-E79 WeakPolarHBondContact O-CG 3.47Å; E75-E79 PolarHBondContact O-N 2.92Å
76E96.6Very high92.6Very high53 Ų5381.3 Ų81.325%0.24842%0.423CS..Hα-helixtrans-58.7-36.4176.4-69.3171.817300112.4K59 K72 L80K59-E76 WeakPolarHBondContact CE-OE2 3.34Å; K59-E76 IonicContact NZ-OE2 2.71Å; K59-E76 PolarHBondContact NZ-OE2 2.94Å; K72-E76 WeakPolarHBondContact CE-OE1 3.34Å; K72-E76 HydrophobicContact CG-CG 4.49Å; K72-E76 WeakPolarHBondContact O-CG 3.37Å; K72-E76 PolarHBondContact O-N 3.26Å; E76-L80 WeakPolarHBondContact O-CD1 3.48Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.4Å; E76-L80 PolarHBondContact O-N 3.39Å
77L96.9Very high93.2Very high7 Ų778.2 Ų78.24%0.03741%0.407CS..Hα-helixtrans-65.8-45.8175.7172.163.8000111.9V56 K59 I63 T73 K74 E75 E79 L80 M81V56-L77 HydrophobicContact CB-CD1 4.28Å; V56-L77 HydrophobicContact CG1-CD1 3.86Å; V56-L77 HydrophobicContact CG2-CD1 4.06Å; K59-L77 HydrophobicContact CB-CB 4.16Å; K59-L77 HydrophobicContact CB-CD1 4.19Å; I63-L77 HydrophobicContact CD1-CD2 3.63Å; T73-L77 WeakPolarHBondContact O-CB 3.36Å; T73-L77 PolarHBondContact O-N 2.89Å; K74-L77 WeakPolarHBondContact O-CB 3.35Å; K74-L77 PolarHBondContact O-N 3.01Å; E75-L77 VanDerWaalsContact C-N 3.26Å; E75-L77 PolarHBondContact O-N 3.34Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.4Å; L77-L80 PolarHBondContact O-N 2.95Å; L77-M81 HydrophobicContact CD1-CG 4.26Å; L77-M81 HydrophobicContact CD1-SD 4.05Å; L77-M81 HydrophobicContact CG-SD 4.07Å; L77-M81 WeakPolarHBondContact O-CG 3.49Å; L77-M81 PolarHBondContact O-N 2.84Å
78E96.8Very high94.3Very high118 Ų11872.9 Ų72.955%0.55137%0.373SS*.Hα-helixtrans-64.2-38.8178.5-67.4-60.4150.800111.5K74 E75 M81 A82K74-E78 WeakPolarHBondContact O-CG 3.34Å; K74-E78 PolarHBondContact O-N 3.39Å; E75-E78 PolarHBondContact O-N 2.86Å; E75-E78 VanDerWaalsContact O-N 3.13Å; E78-M81 PolarHBondContact O-N 3.41Å; E78-A82 WeakPolarHBondContact O-CB 3.24Å; E78-A82 PolarHBondContact O-N 2.85Å
79E98.1Very high95.3Very high120 Ų12070.4 Ų70.456%0.56136%0.355SS*.Hα-helixtrans-61-45.9173.6-72-177.2170.100112.2E75 L77 M81 A82 S83E75-E79 WeakPolarHBondContact O-CG 3.47Å; E75-E79 PolarHBondContact O-N 2.92Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.4Å; E79-M81 PolarHBondContact O-N 3.41Å; E79-A82 PolarHBondContact O-N 3.33Å; E79-S83 WeakPolarHBondContact O-CB 3.45Å; E79-S83 PolarHBondContact O-N 3.4Å
80L98.2Very high96.4Very high28 Ų2872.6 Ų72.615%0.14736%0.362CS..Hα-helixtrans-60.2-45175.7-74.6165.9000111.3N52 E55 V56 K59 E76 L77 A82 S83 I84N52-L80 HydrophobicContact CB-CD2 4.18Å; E55-L80 HydrophobicContact CB-CD1 3.68Å; E55-L80 HydrophobicContact CB-CD2 3.94Å; E55-L80 HydrophobicContact CB-CG 4.49Å; V56-L80 HydrophobicContact CG2-CB 3.79Å; V56-L80 HydrophobicContact CG2-CD1 4.34Å; K59-L80 HydrophobicContact CG-CD1 3.97Å; E76-L80 WeakPolarHBondContact O-CD1 3.48Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.4Å; E76-L80 PolarHBondContact O-N 3.39Å; L77-L80 PolarHBondContact O-N 2.95Å; L80-A82 PolarHBondContact O-N 2.89Å; L80-S83 WeakPolarHBondContact O-CB 3.19Å; L80-S83 PolarHBondContact O-N 3.07Å; L80-I84 VanDerWaalsContact O-CG1 3.32Å; L80-I84 WeakPolarHBondContact O-CG1 3.49Å; L80-I84 PolarHBondContact O-N 3.17Å
81M98.1Very high97Very high41 Ų4169.2 Ų69.220%0.20234%0.344CS..Hα-helixtrans-64-40.5178.2-72.4176.656.200112.2V56 L77 E78 E79 I84 K85V56-M81 HydrophobicContact CG2-CG 4.39Å; L77-M81 HydrophobicContact CD1-CG 4.26Å; L77-M81 HydrophobicContact CD1-SD 4.05Å; L77-M81 HydrophobicContact CG-SD 4.07Å; L77-M81 WeakPolarHBondContact O-CG 3.49Å; L77-M81 PolarHBondContact O-N 2.84Å; E78-M81 PolarHBondContact O-N 3.41Å; E79-M81 PolarHBondContact O-N 3.41Å; M81-I84 PolarHBondContact O-N 3.4Å; M81-K85 WeakPolarHBondContact O-CB 3.33Å; M81-K85 PolarHBondContact O-N 2.75Å
82A98.4Very high97.3Very high60 Ų6070.8 Ų70.850%0.49634%0.337SS..Hα-helixtrans-64-42.7174.600000111.7E78 E79 L80 K85 K86E78-A82 WeakPolarHBondContact O-CB 3.24Å; E78-A82 PolarHBondContact O-N 2.85Å; E79-A82 PolarHBondContact O-N 3.33Å; L80-A82 PolarHBondContact O-N 2.89Å; A82-K85 PolarHBondContact O-N 3.31Å; A82-K86 WeakPolarHBondContact O-CB 3.37Å; A82-K86 PolarHBondContact O-N 2.8Å
83S98.3Very high97.6Very high44 Ų4468.1 Ų68.131%0.30834%0.335SS..Hα-helixtrans-62.3-45.2176.3-175.80000112.2N52 E79 L80 K86 T87N52-S83 PolarHBondContact ND2-OG 3.42Å; E79-S83 WeakPolarHBondContact O-CB 3.45Å; E79-S83 PolarHBondContact O-N 3.4Å; L80-S83 WeakPolarHBondContact O-CB 3.19Å; L80-S83 PolarHBondContact O-N 3.07Å; S83-K86 PolarHBondContact O-N 3.24Å; S83-T87 WeakPolarHBondContact O-CB 3.41Å; S83-T87 PolarHBondContact O-N 3.05Å; S83-T87 PolarHBondContact O-OG1 2.88Å
84I98.7Very high97.8Very high0 Ų069 Ų690%034%0.337CS..Hα-helixtrans-57.4-51.5173.8-73.1166.5000110.2I49 N52 V53 V56 L80 M81 K86 T87 A88 Y136I49-I84 HydrophobicContact CG2-CG1 4.49Å; I49-I84 HydrophobicContact CG2-CG2 4.12Å; N52-I84 HydrophobicContact CB-CD1 3.81Å; N52-I84 HydrophobicContact CB-CG1 3.51Å; V53-I84 HydrophobicContact CG2-CD1 4.07Å; V56-I84 HydrophobicContact CG2-CD1 3.82Å; L80-I84 VanDerWaalsContact O-CG1 3.32Å; L80-I84 WeakPolarHBondContact O-CG1 3.49Å; L80-I84 PolarHBondContact O-N 3.17Å; M81-I84 PolarHBondContact O-N 3.4Å; I84-K86 PolarHBondContact O-N 3.1Å; I84-T87 PolarHBondContact O-N 3.03Å; I84-A88 WeakPolarHBondContact O-CB 3.43Å; I84-A88 PolarHBondContact O-N 3.32Å; I84-Y136 HydrophobicContact CD1-CD2 3.86Å; I84-Y136 HydrophobicContact CD1-CE2 3.61Å; I84-Y136 HydrophobicContact CG2-CD1 4.13Å; I84-Y136 HydrophobicContact CG2-CD2 4.25Å; I84-Y136 HydrophobicContact CG2-CE1 3.99Å; I84-Y136 HydrophobicContact CG2-CE2 4.09Å; I84-Y136 HydrophobicContact CG2-CG 4.25Å
85K98.5Very high98.1Very high147 Ų14765 Ų6564%0.63932%0.32SS*.Hα-helixtrans-59.3-45.6-178.8-175.5179.5-178.7-179.70111.9M81 A82 N89M81-K85 WeakPolarHBondContact O-CB 3.33Å; M81-K85 PolarHBondContact O-N 2.75Å; A82-K85 PolarHBondContact O-N 3.31Å; K85-N89 VanDerWaalsContact O-CG 3.31Å; K85-N89 PolarHBondContact O-N 3.02Å; K85-N89 VanDerWaalsContact O-N 3.1Å; K85-N89 PolarHBondContact O-ND2 3.4Å
86K98.5Very high98.1Very high166 Ų16664.9 Ų64.972%0.72232%0.318SS*.Hα-helixtrans-63.3-50.1179.7-175.6179.7178.8-178.40111.2A82 S83 I84 N89 K90A82-K86 WeakPolarHBondContact O-CB 3.37Å; A82-K86 PolarHBondContact O-N 2.8Å; S83-K86 PolarHBondContact O-N 3.24Å; I84-K86 PolarHBondContact O-N 3.1Å; K86-N89 PolarHBondContact O-N 3.12Å; K86-K90 PolarHBondContact O-N 2.83Å; K86-K90 VanDerWaalsContact O-N 3.14Å
87T98.5Very high98.1Very high18 Ų1865.4 Ų65.411%0.1132%0.324CS..Hα-helixtrans-66.3-41.8-178.5-52.80000111.4S45 L48 I49 S83 I84 N89 K90 V91S45-T87 WeakPolarHBondContact O-CG2 3.49Å; L48-T87 HydrophobicContact CD2-CG2 4.25Å; I49-T87 HydrophobicContact CD1-CG2 3.95Å; I49-T87 HydrophobicContact CG1-CG2 3.69Å; S83-T87 WeakPolarHBondContact O-CB 3.41Å; S83-T87 PolarHBondContact O-N 3.05Å; S83-T87 PolarHBondContact O-OG1 2.88Å; I84-T87 PolarHBondContact O-N 3.03Å; T87-N89 VanDerWaalsContact C-N 3.35Å; T87-N89 PolarHBondContact O-N 3.45Å; T87-K90 WeakPolarHBondContact O-CB 3.35Å; T87-K90 PolarHBondContact O-N 3.11Å; T87-K90 VanDerWaalsContact O-N 3.11Å; T87-V91 WeakPolarHBondContact O-CG2 3.28Å; T87-V91 PolarHBondContact O-N 3.47Å
88A98.7Very high98.1Very high3 Ų365.1 Ų65.13%0.02532%0.323CS..Hα-helixtrans-62.3-3917700000112.7I49 I84 V91 R92 F129 M133I49-A88 HydrophobicContact CD1-CB 3.98Å; I84-A88 WeakPolarHBondContact O-CB 3.43Å; I84-A88 PolarHBondContact O-N 3.32Å; A88-V91 PolarHBondContact O-N 3.2Å; A88-R92 WeakPolarHBondContact O-CB 3.44Å; A88-R92 PolarHBondContact O-N 3.07Å; A88-F129 HydrophobicContact CB-CE2 3.99Å; A88-F129 HydrophobicContact CB-CZ 4.14Å; A88-F129 WeakPolarHBondContact O-CZ 3.41Å; A88-M133 HydrophobicContact CB-CE 4.16Å; A88-M133 HydrophobicContact CB-SD 3.76Å
89N98.5Very high98.1Very high69 Ų6963.7 Ų63.737%0.36932%0.316SS..Hα-helixtrans-64.4-40.8173.4-74.8-27.2000111.6K85 K86 T87 R92 S93K85-N89 VanDerWaalsContact O-CG 3.31Å; K85-N89 PolarHBondContact O-N 3.02Å; K85-N89 VanDerWaalsContact O-N 3.1Å; K85-N89 PolarHBondContact O-ND2 3.4Å; K86-N89 PolarHBondContact O-N 3.12Å; T87-N89 VanDerWaalsContact C-N 3.35Å; T87-N89 PolarHBondContact O-N 3.45Å; N89-R92 PolarHBondContact O-N 2.74Å; N89-R92 PolarHBondContact OD1-NH1 3.35Å; N89-S93 PolarHBondContact O-N 3.02Å; N89-S93 PolarHBondContact O-OG 2.91Å
90K98.2Very high98Very high110 Ų11062.1 Ų62.148%0.47831%0.309SS..Hα-helixtrans-61-45.8176-153.6-171.2-172.5-1590111.1E41 K86 T87 S93 K94E41-K90 IonicContact OE1-NZ 2.81Å; E41-K90 PolarHBondContact OE1-NZ 3.33Å; K86-K90 PolarHBondContact O-N 2.83Å; K86-K90 VanDerWaalsContact O-N 3.14Å; T87-K90 WeakPolarHBondContact O-CB 3.35Å; T87-K90 PolarHBondContact O-N 3.11Å; T87-K90 VanDerWaalsContact O-N 3.11Å; K90-S93 PolarHBondContact O-N 3.3Å; K90-K94 WeakPolarHBondContact O-CG 3.38Å; K90-K94 PolarHBondContact O-N 3.31Å; K90-K94 VanDerWaalsContact O-N 3.11Å
91V98.7Very high97.8Very high1 Ų164.1 Ų64.11%0.00632%0.317CS..Hα-helixtrans-60-49.5175.5171.20000111.2I42 S45 I46 I49 T87 A88 S93 K94 L95 F129I42-V91 HydrophobicContact CG2-CG1 4.13Å; S45-V91 VanDerWaalsContact CB-CG2 3.43Å; I46-V91 HydrophobicContact CD1-CG1 4.3Å; I46-V91 HydrophobicContact CG1-CG1 3.98Å; I46-V91 HydrophobicContact CG1-CG2 4.19Å; I49-V91 HydrophobicContact CD1-CG2 4.17Å; T87-V91 WeakPolarHBondContact O-CG2 3.28Å; T87-V91 PolarHBondContact O-N 3.47Å; A88-V91 PolarHBondContact O-N 3.2Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 3.49Å; V91-K94 PolarHBondContact O-N 3.43Å; V91-L95 HydrophobicContact CG1-CD1 3.77Å; V91-L95 HydrophobicContact CG1-CG 4.28Å; V91-L95 WeakPolarHBondContact O-CG 3.15Å; V91-L95 PolarHBondContact O-N 3.33Å; V91-F129 HydrophobicContact CB-CD2 4.13Å; V91-F129 HydrophobicContact CB-CE2 3.95Å; V91-F129 HydrophobicContact CB-CZ 4.38Å; V91-F129 HydrophobicContact CG1-CB 4.21Å; V91-F129 HydrophobicContact CG1-CD1 4.13Å; V91-F129 HydrophobicContact CG1-CD2 3.46Å; V91-F129 VanDerWaalsContact CG1-CD2 3.46Å; V91-F129 HydrophobicContact CG1-CE1 4.37Å; V91-F129 HydrophobicContact CG1-CE2 3.74Å; V91-F129 HydrophobicContact CG1-CG 3.67Å; V91-F129 HydrophobicContact CG1-CZ 4.19Å
92R98.5Very high97.6Very high132 Ų13262.7 Ų62.750%0.49831%0.31SS..Hα-helixtrans-57.3-46.3178.7-173.1-173.8-62122.43.6111.9A88 N89 K94 K96 F129A88-R92 WeakPolarHBondContact O-CB 3.44Å; A88-R92 PolarHBondContact O-N 3.07Å; N89-R92 PolarHBondContact O-N 2.74Å; N89-R92 PolarHBondContact OD1-NH1 3.35Å; R92-K94 VanDerWaalsContact C-N 3.34Å; R92-K94 PolarHBondContact O-N 2.93Å; R92-K96 WeakPolarHBondContact O-CB 3.29Å; R92-K96 PolarHBondContact O-N 3.49Å; R92-K96 VanDerWaalsContact O-N 3.07Å; R92-F129 HydrophobicContact CB-CE1 4.35Å; R92-F129 HydrophobicContact CB-CZ 4.45Å
93S98.4Very high97.3Very high75 Ų7565.2 Ų65.252%0.52431%0.312SS..Hα-helixtrans-60.7-43.1178.8-69.90000112.1N89 K90 V91 K96 V97N89-S93 PolarHBondContact O-N 3.02Å; N89-S93 PolarHBondContact O-OG 2.91Å; K90-S93 PolarHBondContact O-N 3.3Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 3.49Å; S93-K96 PolarHBondContact O-N 3.46Å; S93-V97 WeakPolarHBondContact O-CG2 3.28Å; S93-V97 PolarHBondContact O-N 3.48Å
94K98Very high96.9Very high40 Ų4069.3 Ų69.317%0.17433%0.326CS..Hα-helixtrans-69.4-43.2179.7-71.1-177.9176.8-168.50113.8E41 I42 K90 V91 R92 K96 V97 I98E41-K94 IonicContact OE1-NZ 3.57Å; E41-K94 PolarHBondContact OE1-NZ 3.25Å; E41-K94 IonicContact OE2-NZ 2.68Å; E41-K94 PolarHBondContact OE2-NZ 3.28Å; I42-K94 HydrophobicContact CD1-CB 3.81Å; I42-K94 HydrophobicContact CD1-CD 4.3Å; I42-K94 HydrophobicContact CG1-CB 3.9Å; I42-K94 HydrophobicContact CG1-CD 3.66Å; K90-K94 WeakPolarHBondContact O-CG 3.38Å; K90-K94 PolarHBondContact O-N 3.31Å; K90-K94 VanDerWaalsContact O-N 3.11Å; V91-K94 PolarHBondContact O-N 3.43Å; R92-K94 VanDerWaalsContact C-N 3.34Å; R92-K94 PolarHBondContact O-N 2.93Å; K94-K96 PolarHBondContact O-N 3.09Å; K94-V97 PolarHBondContact O-N 2.62Å; K94-V97 VanDerWaalsContact O-N 3.14Å; K94-I98 WeakPolarHBondContact O-CG1 3.5Å; K94-I98 PolarHBondContact O-N 2.88Å
95L98.4Very high96.6Very high10 Ų1071.6 Ų71.65%0.05234%0.338CS..Hα-helixtrans-58-42.5174.9-71.7173000110.6I42 V91 V97 I98 E99 H122 L125 F129I42-L95 HydrophobicContact CD1-CD2 4.45Å; I42-L95 HydrophobicContact CG2-CD2 4.3Å; V91-L95 HydrophobicContact CG1-CD1 3.77Å; V91-L95 HydrophobicContact CG1-CG 4.28Å; V91-L95 WeakPolarHBondContact O-CG 3.15Å; V91-L95 PolarHBondContact O-N 3.33Å; L95-V97 PolarHBondContact O-N 3.36Å; L95-I98 PolarHBondContact O-N 2.99Å; L95-E99 WeakPolarHBondContact O-CB 3.49Å; L95-E99 PolarHBondContact O-N 3.49Å; L95-H122 PolarHBondContact O-NE2 2.88Å; L95-L125 HydrophobicContact CD2-CB 3.8Å; L95-L125 HydrophobicContact CD2-CD1 4.47Å; L95-F129 HydrophobicContact CD1-CB 4.21Å; L95-F129 HydrophobicContact CD1-CD1 4.01Å; L95-F129 HydrophobicContact CD1-CG 4.28Å
96K97.9Very high96.1Very high121 Ų12168.5 Ų68.553%0.52633%0.326SS..Hα-helixtrans-61.6-40.1175.4-172.7176.2-178179.70113R92 S93 K94 E99 Q100R92-K96 WeakPolarHBondContact O-CB 3.29Å; R92-K96 PolarHBondContact O-N 3.49Å; R92-K96 VanDerWaalsContact O-N 3.07Å; S93-K96 PolarHBondContact O-N 3.46Å; K94-K96 PolarHBondContact O-N 3.09Å; K96-E99 PolarHBondContact O-N 2.89Å; K96-Q100 VanDerWaalsContact O-CG 3.29Å; K96-Q100 WeakPolarHBondContact O-CG 3.44Å; K96-Q100 PolarHBondContact O-N 3.42Å
97V96.9Very high95.6Very high64 Ų6467.7 Ų67.739%0.38833%0.328SS..Hα-helixtrans-62.9-45.5175.6169.90000110.6S93 K94 L95 E99 Q100 Q101S93-V97 WeakPolarHBondContact O-CG2 3.28Å; S93-V97 PolarHBondContact O-N 3.48Å; K94-V97 PolarHBondContact O-N 2.62Å; K94-V97 VanDerWaalsContact O-N 3.14Å; L95-V97 PolarHBondContact O-N 3.36Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 2.95Å; V97-Q100 PolarHBondContact O-N 2.7Å; V97-Q101 HydrophobicContact CG1-CG 4.44Å; V97-Q101 VanDerWaalsContact O-CG 3.3Å; V97-Q101 WeakPolarHBondContact O-CG 3.32Å; V97-Q101 PolarHBondContact O-N 3.5Å
98I96.1Very high95.2Very high1 Ų170.8 Ų70.81%0.00536%0.356CS..Hα-helixtrans-62-43.1177.9-65.5169.5000111F35 I42 K94 L95 Q101 L102 H122F35-I98 HydrophobicContact CE2-CD1 4.28Å; F35-I98 HydrophobicContact CE2-CG1 4.47Å; F35-I98 HydrophobicContact CE2-CG2 4.1Å; I42-I98 HydrophobicContact CD1-CD1 3.45Å; I42-I98 VanDerWaalsContact CD1-CD1 3.45Å; K94-I98 WeakPolarHBondContact O-CG1 3.5Å; K94-I98 PolarHBondContact O-N 2.88Å; L95-I98 PolarHBondContact O-N 2.99Å; I98-Q101 PolarHBondContact O-N 3.43Å; I98-L102 HydrophobicContact CG2-CD1 4.04Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CB 3.4Å; I98-L102 WeakPolarHBondContact O-CG 3.46Å; I98-L102 PolarHBondContact O-N 3.09Å; I98-H122 HydrophobicContact CG2-CB 3.98Å
99E96.4Very high94.6Very high88 Ų8876.6 Ų76.641%0.41138%0.382SS..Hα-helixtrans-58.4-49.1175.8-177.9175-134.900111.8L95 K96 V97 Q101 L102 E103L95-E99 WeakPolarHBondContact O-CB 3.49Å; L95-E99 PolarHBondContact O-N 3.49Å; K96-E99 PolarHBondContact O-N 2.89Å; V97-E99 VanDerWaalsContact C-N 3.34Å; V97-E99 PolarHBondContact O-N 2.95Å; E99-Q101 PolarHBondContact O-N 2.94Å; E99-L102 WeakPolarHBondContact O-CB 3.26Å; E99-L102 PolarHBondContact O-N 3.41Å; E99-E103 WeakPolarHBondContact O-CG 3.48Å; E99-E103 PolarHBondContact O-N 2.85Å
100Q95.6Very high93.9Very high87 Ų8774.7 Ų74.741%0.40738%0.379SS..Hα-helixtrans-63.1-40.8179.2-73.3177.8-22.500112.9K96 V97 E103 Q104K96-Q100 VanDerWaalsContact O-CG 3.29Å; K96-Q100 WeakPolarHBondContact O-CG 3.44Å; K96-Q100 PolarHBondContact O-N 3.42Å; V97-Q100 PolarHBondContact O-N 2.7Å; Q100-E103 PolarHBondContact O-N 2.96Å; Q100-Q104 WeakPolarHBondContact O-CG 3.33Å; Q100-Q104 PolarHBondContact O-N 3.44Å
101Q94Very high93.3Very high69 Ų6973.2 Ų73.232%0.32238%0.383SS..Hα-helixtrans-67-40.5176.1-66.2170.1-23.900111V97 I98 E99 E103 Q104 D105V97-Q101 HydrophobicContact CG1-CG 4.44Å; V97-Q101 VanDerWaalsContact O-CG 3.3Å; V97-Q101 WeakPolarHBondContact O-CG 3.32Å; V97-Q101 PolarHBondContact O-N 3.5Å; I98-Q101 PolarHBondContact O-N 3.43Å; E99-Q101 PolarHBondContact O-N 2.94Å; Q101-E103 VanDerWaalsContact C-N 3.33Å; Q101-E103 PolarHBondContact O-N 3.15Å; Q101-Q104 PolarHBondContact O-N 3.32Å; Q101-D105 WeakPolarHBondContact O-CB 3.29Å; Q101-D105 PolarHBondContact O-N 3.46Å
102L94.1Very high93Very high11 Ų1175.1 Ų75.16%0.05840%0.395CS..Hα-helixtrans-59.3-42.1175.9-84.8173000112.7I98 E99 E106 I115 R118 K119 H122I98-L102 HydrophobicContact CG2-CD1 4.04Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CB 3.4Å; I98-L102 WeakPolarHBondContact O-CG 3.46Å; I98-L102 PolarHBondContact O-N 3.09Å; E99-L102 WeakPolarHBondContact O-CB 3.26Å; E99-L102 PolarHBondContact O-N 3.41Å; L102-E106 VanDerWaalsContact O-CB 3.29Å; L102-E106 WeakPolarHBondContact O-CB 3.31Å; L102-E106 PolarHBondContact O-N 3.29Å; L102-I115 HydrophobicContact CD2-CG2 4.35Å; L102-R118 HydrophobicContact CD1-CB 4.38Å; L102-R118 HydrophobicContact CD2-CB 3.49Å; L102-R118 VanDerWaalsContact CD2-CB 3.49Å; L102-R118 HydrophobicContact CG-CB 4.19Å; L102-K119 HydrophobicContact CD1-CG 4.06Å; L102-K119 HydrophobicContact CD2-CG 3.84Å; L102-H122 HydrophobicContact CD1-CB 3.95Å
103E91.9Very high92.7Very high113 Ų11371 Ų7153%0.52839%0.389SS..Hα-helixtrans-63.7-40.8176.4-71.3174.6175.400112E99 Q100 Q101 I107E99-E103 WeakPolarHBondContact O-CG 3.48Å; E99-E103 PolarHBondContact O-N 2.85Å; Q100-E103 PolarHBondContact O-N 2.96Å; Q101-E103 VanDerWaalsContact C-N 3.33Å; Q101-E103 PolarHBondContact O-N 3.15Å; E103-I107 WeakPolarHBondContact O-CD1 3.38Å; E103-I107 VanDerWaalsContact O-CG1 3.27Å; E103-I107 WeakPolarHBondContact O-CG1 3.46Å; E103-I107 PolarHBondContact O-N 3.24Å
104Q91.5Very high92.3Very high131 Ų13170.3 Ų70.361%0.61238%0.379SS*.Hα-helixtrans-67.2-46.9178.3-70.9172.617.500111.8Q100 Q101 I107 A108Q100-Q104 WeakPolarHBondContact O-CG 3.33Å; Q100-Q104 PolarHBondContact O-N 3.44Å; Q101-Q104 PolarHBondContact O-N 3.32Å; Q104-I107 PolarHBondContact O-N 3.26Å; Q104-A108 PolarHBondContact O-N 3.07Å
105D91.1Very high92.1Very high47 Ų4768.5 Ų68.525%0.25137%0.371SS..Hα-helixtrans-72.8-33.7-174.3-60.3-27.7000111.8Q101 I107 A108 E109 I115 R118Q101-D105 WeakPolarHBondContact O-CB 3.29Å; Q101-D105 PolarHBondContact O-N 3.46Å; D105-I107 VanDerWaalsContact C-N 3.32Å; D105-I107 PolarHBondContact O-N 3.11Å; D105-A108 PolarHBondContact O-N 3.07Å; D105-E109 PolarHBondContact O-N 3.42Å; D105-I115 HydrophobicContact CB-CD1 4.12Å; D105-I115 HydrophobicContact CB-CG1 4.39Å; D105-R118 IonicContact OD2-CZ 3.34Å; D105-R118 IonicContact OD2-NH1 2.62Å; D105-R118 PolarHBondContact OD2-NH1 3.42Å; D105-R118 IonicContact OD2-NH2 3.15Å; D105-R118 PolarHBondContact OD2-NH2 2.96Å; D105-R118 VanDerWaalsContact OD2-NH2 3.15Å
106E88.7Confident92Very high82 Ų8274.2 Ų74.238%0.38339%0.392SS..Hα-helixtrans-65.7-34.4175.1179.7165.2-141.700112.7L102 G110 K119L102-E106 VanDerWaalsContact O-CB 3.29Å; L102-E106 WeakPolarHBondContact O-CB 3.31Å; L102-E106 PolarHBondContact O-N 3.29Å; E106-G110 WeakPolarHBondContact O-CA 3.4Å; E106-G110 PolarHBondContact O-N 3.36Å; E106-G110 VanDerWaalsContact O-N 3.13Å; E106-K119 IonicContact OE1-NZ 2.61Å; E106-K119 PolarHBondContact OE1-NZ 3.44Å; E106-K119 VanDerWaalsContact OE2-CE 3.28Å; E106-K119 WeakPolarHBondContact OE2-CE 3.47Å; E106-K119 IonicContact OE2-NZ 2.67Å; E106-K119 PolarHBondContact OE2-NZ 3.2Å
107I87.5Confident91.9Very high150 Ų15071 Ų7177%0.76938%0.38SS*.Hα-helixtrans-68.9-37.9174.7-66.9166.8000110.7E103 Q104 D105E103-I107 WeakPolarHBondContact O-CD1 3.38Å; E103-I107 VanDerWaalsContact O-CG1 3.27Å; E103-I107 WeakPolarHBondContact O-CG1 3.46Å; E103-I107 PolarHBondContact O-N 3.24Å; Q104-I107 PolarHBondContact O-N 3.26Å; D105-I107 VanDerWaalsContact C-N 3.32Å; D105-I107 PolarHBondContact O-N 3.11Å
108A89.1Confident91.8Very high83 Ų8369 Ų6969%0.68637%0.366SS*.Hα-helixtrans-81.4-43.5-174.800000113.5Q104 D105Q104-A108 PolarHBondContact O-N 3.07Å; D105-A108 PolarHBondContact O-N 3.07Å
109E86.8Confident91.8Very high124 Ų12472.4 Ų72.458%0.57938%0.381SS*.Hα-helixtrans-114.3-9.6-168.5-58.1-174.8173.600113.7D105 T112 I115D105-E109 PolarHBondContact O-N 3.42Å; E109-T112 HydrophobicContact CB-CG2 4.1Å; E109-I115 HydrophobicContact CB-CD1 4.21Å
110G83.5Confident91.9Very high30 Ų3072.4 Ų72.431%0.30939%0.387SS..  trans70.8-150-171.400000112.4E106 T112 I115E106-G110 WeakPolarHBondContact O-CA 3.4Å; E106-G110 PolarHBondContact O-N 3.36Å; E106-G110 VanDerWaalsContact O-N 3.13Å; G110-T112 PolarHBondContact O-N 2.94Å; G110-I115 WeakPolarHBondContact O-CD1 3.18Å
111S86.4Confident92Very high78 Ų7870.4 Ų70.455%0.54538%0.377SS..SBendtrans-96.185.3-174.5-171.80000112.6R116S111-R116 PolarHBondContact O-NH1 3.06Å; S111-R116 VanDerWaalsContact O-NH1 3.16Å
112T91.6Very high92.2Very high42 Ų4268.6 Ų68.626%0.25837%0.369SS..  trans-83.6168174.7670000112.3E109 G110 D114 I115 R116E109-T112 HydrophobicContact CB-CG2 4.1Å; G110-T112 PolarHBondContact O-N 2.94Å; T112-D114 VanDerWaalsContact C-N 3.28Å; T112-D114 PolarHBondContact O-N 3.28Å; T112-I115 HydrophobicContact CG2-CD1 4.4Å; T112-I115 PolarHBondContact O-N 2.98Å; T112-I115 WeakPolarHBondContact OG1-CD1 3.43Å; T112-I115 WeakPolarHBondContact OG1-CG1 3.45Å; T112-I115 PolarHBondContact OG1-N 3.13Å; T112-R116 WeakPolarHBondContact O-CG 3.38Å; T112-R116 PolarHBondContact O-N 2.98Å; T112-R116 VanDerWaalsContact O-N 3.08Å; T112-R116 PolarHBondContact O-NH1 2.88Å
113A91.9Very high92.4Very high46 Ų4670.5 Ų70.538%0.3838%0.383SS..Hα-helixtrans-59.5-42.3174.200000111.5I115 R116 I117A113-I115 PolarHBondContact O-N 3.34Å; A113-R116 WeakPolarHBondContact O-CB 3.34Å; A113-R116 PolarHBondContact O-N 3.32Å; A113-I117 WeakPolarHBondContact O-CG1 3.39Å; A113-I117 PolarHBondContact O-N 3.21Å
114D91.8Very high92.7Very high59 Ų5968 Ų6832%0.31638%0.375SS..Hα-helixtrans-61.9-45179.6-58.5-1.7000110.9Y31 M32 T112 R116 I117 R118Y31-D114 VanDerWaalsContact CE2-OD1 3.27Å; Y31-D114 WeakPolarHBondContact CE2-OD1 3.46Å; Y31-D114 VanDerWaalsContact CZ-OD1 3.28Å; Y31-D114 PolarHBondContact OH-OD1 3.27Å; M32-D114 HydrophobicContact CE-CB 4.2Å; M32-D114 HydrophobicContact SD-CB 4.08Å; T112-D114 VanDerWaalsContact C-N 3.28Å; T112-D114 PolarHBondContact O-N 3.28Å; D114-R116 VanDerWaalsContact C-N 3.34Å; D114-R116 PolarHBondContact O-N 3.49Å; D114-I117 PolarHBondContact O-N 2.88Å; D114-R118 WeakPolarHBondContact O-CB 3.45Å; D114-R118 VanDerWaalsContact O-CG 3.29Å; D114-R118 WeakPolarHBondContact O-CG 3.37Å; D114-R118 PolarHBondContact O-N 3.14Å
115I94Very high93Very high2 Ų262 Ų621%0.0135%0.347CS..Hα-helixtrans-62.4-40.8175.8-71.4168.5000111L102 D105 E109 G110 T112 A113 R118 K119L102-I115 HydrophobicContact CD2-CG2 4.35Å; D105-I115 HydrophobicContact CB-CD1 4.12Å; D105-I115 HydrophobicContact CB-CG1 4.39Å; E109-I115 HydrophobicContact CB-CD1 4.21Å; G110-I115 WeakPolarHBondContact O-CD1 3.18Å; T112-I115 HydrophobicContact CG2-CD1 4.4Å; T112-I115 PolarHBondContact O-N 2.98Å; T112-I115 WeakPolarHBondContact OG1-CD1 3.43Å; T112-I115 WeakPolarHBondContact OG1-CG1 3.45Å; T112-I115 PolarHBondContact OG1-N 3.13Å; A113-I115 PolarHBondContact O-N 3.34Å; I115-R118 PolarHBondContact O-N 3.49Å; I115-K119 HydrophobicContact CG2-CD 4.11Å; I115-K119 HydrophobicContact CG2-CG 4.4Å; I115-K119 WeakPolarHBondContact O-CB 3.47Å; I115-K119 VanDerWaalsContact O-CG 3.3Å; I115-K119 WeakPolarHBondContact O-CG 3.5Å; I115-K119 PolarHBondContact O-N 3.34Å
116R94.7Very high93.4Very high131 Ų13161.1 Ų61.149%0.49435%0.345SS..Hα-helixtrans-63.7-41.5175.5-71.4-169.3-60.5-85.64.9112.6S111 T112 A113 D114 T120S111-R116 PolarHBondContact O-NH1 3.06Å; S111-R116 VanDerWaalsContact O-NH1 3.16Å; T112-R116 WeakPolarHBondContact O-CG 3.38Å; T112-R116 PolarHBondContact O-N 2.98Å; T112-R116 VanDerWaalsContact O-N 3.08Å; T112-R116 PolarHBondContact O-NH1 2.88Å; A113-R116 WeakPolarHBondContact O-CB 3.34Å; A113-R116 PolarHBondContact O-N 3.32Å; D114-R116 VanDerWaalsContact C-N 3.34Å; D114-R116 PolarHBondContact O-N 3.49Å; R116-T120 WeakPolarHBondContact O-CB 2.99Å; R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 PolarHBondContact O-OG1 3Å
117I95.3Very high93.9Very high52 Ų5263.3 Ų63.327%0.26735%0.35SS..Hα-helixtrans-61.8-50.5176.4-69.8167.3000109.6Y31 F35 F36 A113 D114 K119 T120 Q121Y31-I117 HydrophobicContact CE1-CD1 4.04Å; Y31-I117 VanDerWaalsContact OH-CD1 3.23Å; Y31-I117 WeakPolarHBondContact OH-CD1 3.48Å; F35-I117 HydrophobicContact CE1-CG2 4.38Å; F36-I117 HydrophobicContact CE1-CG2 4.06Å; F36-I117 HydrophobicContact CZ-CG2 4.04Å; A113-I117 WeakPolarHBondContact O-CG1 3.39Å; A113-I117 PolarHBondContact O-N 3.21Å; D114-I117 PolarHBondContact O-N 2.88Å; I117-K119 PolarHBondContact O-N 3Å; I117-T120 PolarHBondContact O-N 2.99Å; I117-Q121 HydrophobicContact CG2-CG 4.41Å; I117-Q121 WeakPolarHBondContact O-CG 3.49Å; I117-Q121 PolarHBondContact O-N 2.91Å
118R96.1Very high94.4Very high23 Ų2359.3 Ų59.39%0.08733%0.327CS..Hα-helixtrans-61.4-44.1-179.4-69.317168.5-155.64.1112.5M32 F35 L102 D105 D114 I115 T120 Q121 H122M32-R118 HydrophobicContact CE-CG 3.4Å; F35-R118 HydrophobicContact CD1-CG 3.91Å; F35-R118 HydrophobicContact CD2-CG 3.92Å; F35-R118 HydrophobicContact CE1-CB 4.25Å; F35-R118 HydrophobicContact CE1-CG 3.66Å; F35-R118 HydrophobicContact CE2-CB 4.14Å; F35-R118 HydrophobicContact CE2-CG 3.68Å; F35-R118 HydrophobicContact CG-CG 4.04Å; F35-R118 HydrophobicContact CZ-CB 3.83Å; F35-R118 HydrophobicContact CZ-CG 3.56Å; L102-R118 HydrophobicContact CD1-CB 4.38Å; L102-R118 HydrophobicContact CD2-CB 3.49Å; L102-R118 VanDerWaalsContact CD2-CB 3.49Å; L102-R118 HydrophobicContact CG-CB 4.19Å; D105-R118 IonicContact OD2-CZ 3.34Å; D105-R118 IonicContact OD2-NH1 2.62Å; D105-R118 PolarHBondContact OD2-NH1 3.42Å; D105-R118 IonicContact OD2-NH2 3.15Å; D105-R118 PolarHBondContact OD2-NH2 2.96Å; D105-R118 VanDerWaalsContact OD2-NH2 3.15Å; D114-R118 WeakPolarHBondContact O-CB 3.45Å; D114-R118 VanDerWaalsContact O-CG 3.29Å; D114-R118 WeakPolarHBondContact O-CG 3.37Å; D114-R118 PolarHBondContact O-N 3.14Å; I115-R118 PolarHBondContact O-N 3.49Å; R118-T120 PolarHBondContact O-N 3.01Å; R118-Q121 PolarHBondContact O-N 3.23Å; R118-H122 VanDerWaalsContact O-CB 3.3Å; R118-H122 WeakPolarHBondContact O-CB 3.48Å; R118-H122 PolarHBondContact O-N 2.97Å
119K96.3Very high94.9Very high73 Ų7356.2 Ų56.232%0.31730%0.298SS..Hα-helixtrans-58.8-45.3174.6-78.4-177.6172.2-163.50112.2L102 E106 I115 I117 S123L102-K119 HydrophobicContact CD1-CG 4.06Å; L102-K119 HydrophobicContact CD2-CG 3.84Å; E106-K119 IonicContact OE1-NZ 2.61Å; E106-K119 PolarHBondContact OE1-NZ 3.44Å; E106-K119 VanDerWaalsContact OE2-CE 3.28Å; E106-K119 WeakPolarHBondContact OE2-CE 3.47Å; E106-K119 IonicContact OE2-NZ 2.67Å; E106-K119 PolarHBondContact OE2-NZ 3.2Å; I115-K119 HydrophobicContact CG2-CD 4.11Å; I115-K119 HydrophobicContact CG2-CG 4.4Å; I115-K119 WeakPolarHBondContact O-CB 3.47Å; I115-K119 VanDerWaalsContact O-CG 3.3Å; I115-K119 WeakPolarHBondContact O-CG 3.5Å; I115-K119 PolarHBondContact O-N 3.34Å; I117-K119 PolarHBondContact O-N 3Å; K119-S123 WeakPolarHBondContact O-CB 3.37Å; K119-S123 PolarHBondContact O-N 3.28Å
120T97.5Very high95.4Very high88 Ų8854.4 Ų54.454%0.5430%0.295SS..Hα-helixtrans-64.9-44.8-180-57.20000111.3R116 I117 R118 T124R116-T120 WeakPolarHBondContact O-CB 2.99Å; R116-T120 PolarHBondContact O-N 3.45Å; R116-T120 PolarHBondContact O-OG1 3Å; I117-T120 PolarHBondContact O-N 2.99Å; R118-T120 PolarHBondContact O-N 3.01Å; T120-T124 WeakPolarHBondContact O-CB 3.42Å; T120-T124 PolarHBondContact O-N 3.29Å; T120-T124 PolarHBondContact O-OG1 3.24Å
121Q98Very high96.1Very high45 Ų4558.9 Ų58.921%0.2131%0.308CS..Hα-helixtrans-63.9-49.3176.3-69.5-64.2-13.700111.6F35 V39 I117 R118 S123 T124 L125F35-Q121 HydrophobicContact CE1-CB 4.03Å; F35-Q121 HydrophobicContact CE1-CG 3.97Å; F35-Q121 HydrophobicContact CZ-CB 3.85Å; F35-Q121 HydrophobicContact CZ-CG 4.31Å; V39-Q121 HydrophobicContact CG2-CB 4.02Å; V39-Q121 HydrophobicContact CG2-CG 4.29Å; I117-Q121 HydrophobicContact CG2-CG 4.41Å; I117-Q121 WeakPolarHBondContact O-CG 3.49Å; I117-Q121 PolarHBondContact O-N 2.91Å; R118-Q121 PolarHBondContact O-N 3.23Å; Q121-S123 PolarHBondContact O-N 3.27Å; Q121-T124 PolarHBondContact O-N 3.29Å; Q121-T124 VanDerWaalsContact O-N 3.17Å; Q121-L125 WeakPolarHBondContact O-CB 3.46Å; Q121-L125 WeakPolarHBondContact O-CG 3.46Å; Q121-L125 PolarHBondContact O-N 3.19Å
122H98.1Very high96.7Very high30 Ų3056.1 Ų56.114%0.13929%0.288CS..Hα-helixtrans-54.6-51.2176.5175.5-108.4000111.3L95 I98 L102 R118 T124 L125 S126L95-H122 PolarHBondContact O-NE2 2.88Å; I98-H122 HydrophobicContact CG2-CB 3.98Å; L102-H122 HydrophobicContact CD1-CB 3.95Å; R118-H122 VanDerWaalsContact O-CB 3.3Å; R118-H122 WeakPolarHBondContact O-CB 3.48Å; R118-H122 PolarHBondContact O-N 2.97Å; H122-T124 VanDerWaalsContact C-N 3.29Å; H122-T124 PolarHBondContact O-N 3.28Å; H122-L125 PolarHBondContact O-N 3.38Å; H122-S126 PolarHBondContact NE2-OG 3.2Å; H122-S126 VanDerWaalsContact O-CB 3.24Å; H122-S126 WeakPolarHBondContact O-CB 3.4Å; H122-S126 PolarHBondContact O-N 2.86Å; H122-S126 PolarHBondContact O-OG 3.29Å; H122-S126 VanDerWaalsContact O-OG 3.05Å
123S98.2Very high97.1Very high51 Ų5155.6 Ų55.636%0.35728%0.283SS..Hα-helixtrans-59.6-39.3179.5-167.10000112.5K119 Q121 R127K119-S123 WeakPolarHBondContact O-CB 3.37Å; K119-S123 PolarHBondContact O-N 3.28Å; Q121-S123 PolarHBondContact O-N 3.27Å; S123-R127 WeakPolarHBondContact O-CG 3.44Å; S123-R127 PolarHBondContact O-N 2.94Å; S123-R127 VanDerWaalsContact O-N 3.12Å; S123-R127 PolarHBondContact O-NH1 2.61Å; S123-R127 PolarHBondContact OG-NH1 2.68Å
124T98.5Very high97.4Very high61 Ų6157.3 Ų57.337%0.37429%0.289SS..Hα-helixtrans-70.9-47.4-179.8-590000111.9T120 Q121 H122 R127 K128T120-T124 WeakPolarHBondContact O-CB 3.42Å; T120-T124 PolarHBondContact O-N 3.29Å; T120-T124 PolarHBondContact O-OG1 3.24Å; Q121-T124 PolarHBondContact O-N 3.29Å; Q121-T124 VanDerWaalsContact O-N 3.17Å; H122-T124 VanDerWaalsContact C-N 3.29Å; H122-T124 PolarHBondContact O-N 3.28Å; T124-R127 PolarHBondContact O-N 3.03Å; T124-R127 PolarHBondContact OG1-NH2 3.33Å; T124-K128 PolarHBondContact O-N 3.17Å; T124-K128 VanDerWaalsContact O-N 3.07Å
125L98.7Very high97.7Very high4 Ų457.1 Ų57.12%0.02129%0.288CS..Hα-helixtrans-64.3-41.8177.4-67170.6000111.5V39 I42 R43 I46 L95 Q121 H122 K128 F129V39-L125 HydrophobicContact CB-CD1 4.39Å; V39-L125 HydrophobicContact CG1-CD1 4.15Å; V39-L125 HydrophobicContact CG2-CD1 4.13Å; I42-L125 HydrophobicContact CB-CD1 4.14Å; I42-L125 HydrophobicContact CD1-CD1 4.23Å; I42-L125 HydrophobicContact CG2-CB 4.3Å; I42-L125 HydrophobicContact CG2-CD1 3.96Å; I42-L125 HydrophobicContact CG2-CD2 4.18Å; I42-L125 HydrophobicContact CG2-CG 4.39Å; R43-L125 HydrophobicContact CB-CD2 4.16Å; I46-L125 HydrophobicContact CD1-CB 4.42Å; I46-L125 HydrophobicContact CD1-CD2 4.27Å; L95-L125 HydrophobicContact CD2-CB 3.8Å; L95-L125 HydrophobicContact CD2-CD1 4.47Å; Q121-L125 WeakPolarHBondContact O-CB 3.46Å; Q121-L125 WeakPolarHBondContact O-CG 3.46Å; Q121-L125 PolarHBondContact O-N 3.19Å; H122-L125 PolarHBondContact O-N 3.38Å; L125-K128 PolarHBondContact O-N 3.28Å; L125-F129 WeakPolarHBondContact O-CB 3.44Å; L125-F129 PolarHBondContact O-N 3.02Å
126S98.6Very high97.9Very high30 Ų3058.4 Ų58.421%0.2129%0.293CS..Hα-helixtrans-62.2-42.7177.4-700000112.2H122 F129 V130H122-S126 PolarHBondContact NE2-OG 3.2Å; H122-S126 VanDerWaalsContact O-CB 3.24Å; H122-S126 WeakPolarHBondContact O-CB 3.4Å; H122-S126 PolarHBondContact O-N 2.86Å; H122-S126 PolarHBondContact O-OG 3.29Å; H122-S126 VanDerWaalsContact O-OG 3.05Å; S126-F129 PolarHBondContact O-N 3.28Å; S126-V130 WeakPolarHBondContact O-CG2 3.46Å; S126-V130 PolarHBondContact O-N 3.38Å
127R98.7Very high98.1Very high127 Ų12756.6 Ų56.648%0.47929%0.293SS..Hα-helixtrans-60.1-51.6172.8-79.4-169.4-63.9-81.3-4111.9S123 T124 F129 V130 E131S123-R127 WeakPolarHBondContact O-CG 3.44Å; S123-R127 PolarHBondContact O-N 2.94Å; S123-R127 VanDerWaalsContact O-N 3.12Å; S123-R127 PolarHBondContact O-NH1 2.61Å; S123-R127 PolarHBondContact OG-NH1 2.68Å; T124-R127 PolarHBondContact O-N 3.03Å; T124-R127 PolarHBondContact OG1-NH2 3.33Å; R127-F129 VanDerWaalsContact C-N 3.28Å; R127-F129 PolarHBondContact O-N 2.7Å; R127-V130 PolarHBondContact O-N 2.85Å; R127-V130 VanDerWaalsContact O-N 3.15Å; R127-E131 WeakPolarHBondContact O-CG 3.39Å; R127-E131 PolarHBondContact O-N 3Å
128K98.5Very high98.2Very high67 Ų6760.1 Ų60.129%0.29131%0.306SS..Hα-helixtrans-59.2-40.3179.9-166-176.7175.8-178.20111.7I46 D47 T124 L125 E131 V132I46-K128 HydrophobicContact CG2-CB 4.48Å; I46-K128 HydrophobicContact CG2-CD 3.96Å; I46-K128 HydrophobicContact CG2-CG 3.84Å; D47-K128 WeakPolarHBondContact OD1-CE 3.37Å; D47-K128 IonicContact OD1-NZ 2.92Å; D47-K128 PolarHBondContact OD1-NZ 3.16Å; D47-K128 IonicContact OD2-NZ 3.59Å; T124-K128 PolarHBondContact O-N 3.17Å; T124-K128 VanDerWaalsContact O-N 3.07Å; L125-K128 PolarHBondContact O-N 3.28Å; K128-E131 PolarHBondContact O-N 3.05Å; K128-V132 WeakPolarHBondContact O-CG2 3.43Å; K128-V132 PolarHBondContact O-N 3.11Å; K128-V132 VanDerWaalsContact O-N 3.09Å
129F98.8Very high98.3Very high18 Ų1859.5 Ų59.58%0.07931%0.305CS..Hα-helixtrans-63.2-45.6176.3178-121.9000112.2I46 I49 A88 V91 R92 L95 L125 S126 R127 E131 V132 M133I46-F129 HydrophobicContact CD1-CB 3.95Å; I46-F129 HydrophobicContact CG1-CB 4.23Å; I46-F129 HydrophobicContact CG1-CD2 4.31Å; I49-F129 HydrophobicContact CD1-CD2 4.43Å; I49-F129 HydrophobicContact CD1-CE2 4.07Å; A88-F129 HydrophobicContact CB-CE2 3.99Å; A88-F129 HydrophobicContact CB-CZ 4.14Å; A88-F129 WeakPolarHBondContact O-CZ 3.41Å; V91-F129 HydrophobicContact CB-CD2 4.13Å; V91-F129 HydrophobicContact CB-CE2 3.95Å; V91-F129 HydrophobicContact CB-CZ 4.38Å; V91-F129 HydrophobicContact CG1-CB 4.21Å; V91-F129 HydrophobicContact CG1-CD1 4.13Å; V91-F129 HydrophobicContact CG1-CD2 3.46Å; V91-F129 VanDerWaalsContact CG1-CD2 3.46Å; V91-F129 HydrophobicContact CG1-CE1 4.37Å; V91-F129 HydrophobicContact CG1-CE2 3.74Å; V91-F129 HydrophobicContact CG1-CG 3.67Å; V91-F129 HydrophobicContact CG1-CZ 4.19Å; R92-F129 HydrophobicContact CB-CE1 4.35Å; R92-F129 HydrophobicContact CB-CZ 4.45Å; L95-F129 HydrophobicContact CD1-CB 4.21Å; L95-F129 HydrophobicContact CD1-CD1 4.01Å; L95-F129 HydrophobicContact CD1-CG 4.28Å; L125-F129 WeakPolarHBondContact O-CB 3.44Å; L125-F129 PolarHBondContact O-N 3.02Å; S126-F129 PolarHBondContact O-N 3.28Å; R127-F129 VanDerWaalsContact C-N 3.28Å; R127-F129 PolarHBondContact O-N 2.7Å; F129-E131 PolarHBondContact O-N 2.71Å; F129-V132 PolarHBondContact O-N 3.13Å; F129-M133 HydrophobicContact CD2-CG 3.91Å; F129-M133 HydrophobicContact CE1-CG 4.35Å; F129-M133 HydrophobicContact CE2-CG 3.5Å; F129-M133 HydrophobicContact CE2-SD 3.93Å; F129-M133 HydrophobicContact CG-CG 4.49Å; F129-M133 HydrophobicContact CZ-CG 3.76Å; F129-M133 HydrophobicContact CZ-SD 4.37Å; F129-M133 WeakPolarHBondContact O-CB 3.49Å; F129-M133 VanDerWaalsContact O-CG 3.29Å; F129-M133 WeakPolarHBondContact O-CG 3.44Å; F129-M133 PolarHBondContact O-N 3.04Å
130V98.7Very high98.4Very high86 Ų8657.7 Ų57.752%0.52130%0.298SS..Hα-helixtrans-63.2-41.2177.1170.80000111.4S126 R127 M133 T134S126-V130 WeakPolarHBondContact O-CG2 3.46Å; S126-V130 PolarHBondContact O-N 3.38Å; R127-V130 PolarHBondContact O-N 2.85Å; R127-V130 VanDerWaalsContact O-N 3.15Å; V130-M133 PolarHBondContact O-N 2.89Å; V130-T134 VanDerWaalsContact O-CB 3.28Å; V130-T134 WeakPolarHBondContact O-CB 3.46Å; V130-T134 PolarHBondContact O-N 3.38Å; V130-T134 PolarHBondContact O-OG1 3.12Å
131E98.7Very high98.4Very high124 Ų12457.4 Ų57.458%0.57930%0.296SS*.Hα-helixtrans-58.1-52.1176.3-73.5168.5-167.400111.5R127 K128 F129 M133 T134 D135R127-E131 WeakPolarHBondContact O-CG 3.39Å; R127-E131 PolarHBondContact O-N 3Å; K128-E131 PolarHBondContact O-N 3.05Å; F129-E131 PolarHBondContact O-N 2.71Å; E131-M133 PolarHBondContact O-N 3.34Å; E131-T134 WeakPolarHBondContact O-CB 3.47Å; E131-T134 PolarHBondContact O-N 3.47Å; E131-D135 PolarHBondContact O-N 2.74Å
132V98.8Very high98.4Very high19 Ų1958.8 Ų58.812%0.11531%0.305CS..Hα-helixtrans-62.3-43.1179.2172.10000111.6I46 I49 A50 K128 F129 T134 D135 Y136I46-V132 HydrophobicContact CG2-CB 4.49Å; I46-V132 HydrophobicContact CG2-CG2 3.9Å; I49-V132 HydrophobicContact CB-CG1 4Å; I49-V132 HydrophobicContact CG2-CG1 3.5Å; A50-V132 HydrophobicContact CB-CG1 4.05Å; A50-V132 HydrophobicContact CB-CG2 3.98Å; K128-V132 WeakPolarHBondContact O-CG2 3.43Å; K128-V132 PolarHBondContact O-N 3.11Å; K128-V132 VanDerWaalsContact O-N 3.09Å; F129-V132 PolarHBondContact O-N 3.13Å; V132-T134 VanDerWaalsContact C-N 3.3Å; V132-T134 PolarHBondContact O-N 2.85Å; V132-D135 PolarHBondContact O-N 3.06Å; V132-Y136 PolarHBondContact O-N 2.96Å
133M98.7Very high98.3Very high31 Ų3159.6 Ų59.615%0.15331%0.307CS..Hα-helixtrans-69.6-29.3178.3-68.7-54.2-55.200112.6I49 A88 F129 V130 E131 Y136 N137I49-M133 HydrophobicContact CG2-SD 4.12Å; A88-M133 HydrophobicContact CB-CE 4.16Å; A88-M133 HydrophobicContact CB-SD 3.76Å; F129-M133 HydrophobicContact CD2-CG 3.91Å; F129-M133 HydrophobicContact CE1-CG 4.35Å; F129-M133 HydrophobicContact CE2-CG 3.5Å; F129-M133 HydrophobicContact CE2-SD 3.93Å; F129-M133 HydrophobicContact CG-CG 4.49Å; F129-M133 HydrophobicContact CZ-CG 3.76Å; F129-M133 HydrophobicContact CZ-SD 4.37Å; F129-M133 WeakPolarHBondContact O-CB 3.49Å; F129-M133 VanDerWaalsContact O-CG 3.29Å; F129-M133 WeakPolarHBondContact O-CG 3.44Å; F129-M133 PolarHBondContact O-N 3.04Å; V130-M133 PolarHBondContact O-N 2.89Å; E131-M133 PolarHBondContact O-N 3.34Å; M133-Y136 HydrophobicContact CE-CD1 3.88Å; M133-N137 WeakPolarHBondContact O-CB 3.5Å; M133-N137 PolarHBondContact O-N 3Å; M133-N137 PolarHBondContact O-ND2 3.43Å
134T98.7Very high98.3Very high82 Ų8265.6 Ų65.650%0.50332%0.322SS..Hα-helixtrans-68.1-43.6173.6-60.50000110.7V130 E131 V132 Y136 N137 K138V130-T134 VanDerWaalsContact O-CB 3.28Å; V130-T134 WeakPolarHBondContact O-CB 3.46Å; V130-T134 PolarHBondContact O-N 3.38Å; V130-T134 PolarHBondContact O-OG1 3.12Å; E131-T134 WeakPolarHBondContact O-CB 3.47Å; E131-T134 PolarHBondContact O-N 3.47Å; V132-T134 VanDerWaalsContact C-N 3.3Å; V132-T134 PolarHBondContact O-N 2.85Å; T134-Y136 VanDerWaalsContact C-N 3.35Å; T134-N137 PolarHBondContact O-N 2.95Å; T134-K138 WeakPolarHBondContact O-CB 3.4Å; T134-K138 PolarHBondContact O-N 2.82Å
135D98.5Very high98.2Very high56 Ų5668.1 Ų68.130%0.29933%0.329SS..Hα-helixtrans-63.4-39.6174.6-175.947.9000112.2V53 K57 E131 V132 K138 T139V53-D135 WeakPolarHBondContact CG1-OD2 3.46Å; K57-D135 WeakPolarHBondContact CE-OD2 3.46Å; K57-D135 VanDerWaalsContact NZ-CG 3.31Å; K57-D135 IonicContact NZ-OD1 3.31Å; K57-D135 PolarHBondContact NZ-OD1 3.21Å; K57-D135 VanDerWaalsContact NZ-OD1 3.13Å; K57-D135 IonicContact NZ-OD2 3.19Å; K57-D135 PolarHBondContact NZ-OD2 2.84Å; E131-D135 PolarHBondContact O-N 2.74Å; V132-D135 PolarHBondContact O-N 3.06Å; D135-K138 PolarHBondContact O-N 3.23Å; D135-T139 WeakPolarHBondContact O-CB 3.42Å; D135-T139 PolarHBondContact O-N 3.34Å; D135-T139 PolarHBondContact O-OG1 3.4Å
136Y98.6Very high98Very high29 Ų2975.3 Ų75.311%0.11436%0.356CS..Hα-helixtrans-59.4-49171.9178.4-117.5000112.4V53 I84 V132 M133 T134 K138 T139 Q140V53-Y136 HydrophobicContact CG2-CD2 3.84Å; V53-Y136 HydrophobicContact CG2-CG 4.11Å; I84-Y136 HydrophobicContact CD1-CD2 3.86Å; I84-Y136 HydrophobicContact CD1-CE2 3.61Å; I84-Y136 HydrophobicContact CG2-CD1 4.13Å; I84-Y136 HydrophobicContact CG2-CD2 4.25Å; I84-Y136 HydrophobicContact CG2-CE1 3.99Å; I84-Y136 HydrophobicContact CG2-CE2 4.09Å; I84-Y136 HydrophobicContact CG2-CG 4.25Å; V132-Y136 PolarHBondContact O-N 2.96Å; M133-Y136 HydrophobicContact CE-CD1 3.88Å; T134-Y136 VanDerWaalsContact C-N 3.35Å; Y136-K138 VanDerWaalsContact C-N 3.31Å; Y136-K138 PolarHBondContact O-N 3.25Å; Y136-T139 WeakPolarHBondContact O-CB 3.29Å; Y136-T139 PolarHBondContact O-N 3.41Å; Y136-Q140 HydrophobicContact CD2-CG 4.32Å; Y136-Q140 HydrophobicContact CE1-CG 4.27Å; Y136-Q140 HydrophobicContact CE2-CG 3.9Å; Y136-Q140 WeakPolarHBondContact O-CG 3.48Å; Y136-Q140 PolarHBondContact O-N 3.21Å; Y136-Q140 PolarHBondContact OH-NE2 3.46Å
137N98.2Very high97.7Very high92 Ų9275.4 Ų75.449%0.49236%0.357SS..Hα-helixtrans-62.4-39.4178.7-77.8-44.9000112.1M133 T134 Q140 T141M133-N137 WeakPolarHBondContact O-CB 3.5Å; M133-N137 PolarHBondContact O-N 3Å; M133-N137 PolarHBondContact O-ND2 3.43Å; T134-N137 PolarHBondContact O-N 2.95Å; N137-Q140 PolarHBondContact O-N 2.89Å; N137-T141 WeakPolarHBondContact O-CB 3.41Å; N137-T141 PolarHBondContact O-N 3.03Å; N137-T141 PolarHBondContact O-OG1 2.98Å
138K98.4Very high97.5Very high126 Ų12675.5 Ų75.555%0.54836%0.361SS..Hα-helixtrans-61.7-48.1174.2-177.1177.8178-1790110.9T134 D135 Y136 Q140 T141 D142T134-K138 WeakPolarHBondContact O-CB 3.4Å; T134-K138 PolarHBondContact O-N 2.82Å; D135-K138 PolarHBondContact O-N 3.23Å; Y136-K138 VanDerWaalsContact C-N 3.31Å; Y136-K138 PolarHBondContact O-N 3.25Å; K138-Q140 VanDerWaalsContact C-N 3.32Å; K138-Q140 PolarHBondContact O-N 3.45Å; K138-T141 PolarHBondContact O-N 2.97Å; K138-T141 VanDerWaalsContact O-N 3.12Å; K138-D142 WeakPolarHBondContact O-CB 3.26Å; K138-D142 PolarHBondContact O-N 3.26Å
139T97.8Very high97.3Very high11 Ų1174.3 Ų74.37%0.06737%0.367CS..Hα-helixtrans-54.6-46.7177.2-630000112.2V56 K57 D135 Y136 Y143V56-T139 HydrophobicContact CG1-CG2 3.97Å; K57-T139 WeakPolarHBondContact CE-OG1 3.48Å; K57-T139 HydrophobicContact CG-CG2 3.52Å; D135-T139 WeakPolarHBondContact O-CB 3.42Å; D135-T139 PolarHBondContact O-N 3.34Å; D135-T139 PolarHBondContact O-OG1 3.4Å; Y136-T139 WeakPolarHBondContact O-CB 3.29Å; Y136-T139 PolarHBondContact O-N 3.41Å; T139-Y143 WeakPolarHBondContact O-CB 3.3Å; T139-Y143 PolarHBondContact O-N 3.24Å
140Q97.9Very high96.9Very high34 Ų3476.9 Ų76.916%0.15938%0.376CS..Hα-helixtrans-64.9-40.6177.7-72-71-3000112.5Y136 N137 K138 R144Y136-Q140 HydrophobicContact CD2-CG 4.32Å; Y136-Q140 HydrophobicContact CE1-CG 4.27Å; Y136-Q140 HydrophobicContact CE2-CG 3.9Å; Y136-Q140 WeakPolarHBondContact O-CG 3.48Å; Y136-Q140 PolarHBondContact O-N 3.21Å; Y136-Q140 PolarHBondContact OH-NE2 3.46Å; N137-Q140 PolarHBondContact O-N 2.89Å; K138-Q140 VanDerWaalsContact C-N 3.32Å; K138-Q140 PolarHBondContact O-N 3.45Å; Q140-R144 WeakPolarHBondContact O-CB 3.49Å; Q140-R144 PolarHBondContact O-N 3.06Å
141T98.1Very high96.4Very high83 Ų8377.5 Ų77.551%0.50938%0.375SS..Hα-helixtrans-67.3-45.9179.1-57.10000111.2N137 K138 Y143 R144 E145N137-T141 WeakPolarHBondContact O-CB 3.41Å; N137-T141 PolarHBondContact O-N 3.03Å; N137-T141 PolarHBondContact O-OG1 2.98Å; K138-T141 PolarHBondContact O-N 2.97Å; K138-T141 VanDerWaalsContact O-N 3.12Å; T141-Y143 VanDerWaalsContact C-N 3.35Å; T141-Y143 PolarHBondContact O-N 2.82Å; T141-R144 PolarHBondContact O-N 3.43Å; T141-E145 PolarHBondContact O-N 3.46Å
142D97.3Very high96.1Very high74 Ų7476.4 Ų76.440%0.39637%0.37SS..Hα-helixtrans-61.3-42.4177.4-72.5-9.8000111.4K138 E145 R146K138-D142 WeakPolarHBondContact O-CB 3.26Å; K138-D142 PolarHBondContact O-N 3.26Å; D142-E145 PolarHBondContact O-N 3.19Å; D142-R146 VanDerWaalsContact O-CG 3.3Å; D142-R146 WeakPolarHBondContact O-CG 3.5Å; D142-R146 PolarHBondContact O-N 3.14Å
143Y96.7Very high95.8Very high47 Ų4784 Ų8418%0.18440%0.397CS..Hα-helixtrans-62.4-46.1175.6176.9-110.3000112H60 I63 L64 T139 T141 E145 R146 C147H60-Y143 HydrophobicContact CB-CD2 3.5Å; H60-Y143 HydrophobicContact CB-CE2 3.97Å; H60-Y143 HydrophobicContact CB-CG 4.12Å; H60-Y143 VanDerWaalsContact CD2-CB 3.46Å; H60-Y143 WeakPolarHBondContact CD2-CB 3.3Å; H60-Y143 AromaticContact CD2-CD2 3.95Å; H60-Y143 AromaticContact CD2-CG 3.63Å; H60-Y143 AromaticContact CE1-CD1 3.4Å; H60-Y143 VanDerWaalsContact CE1-CD1 3.4Å; H60-Y143 WeakPolarHBondContact CE1-CD1 3.43Å; H60-Y143 AromaticContact CE1-CE1 3.75Å; H60-Y143 AromaticContact CE1-CG 3.55Å; H60-Y143 AromaticContact CG-CD2 3.38Å; H60-Y143 AromaticContact CG-CE2 3.89Å; H60-Y143 AromaticContact CG-CG 3.51Å; H60-Y143 AromaticContact ND1-CD1 3.64Å; H60-Y143 AromaticContact ND1-CD2 3.44Å; H60-Y143 WeakPolarHBondContact ND1-CD2 3.41Å; H60-Y143 AromaticContact ND1-CE1 3.77Å; H60-Y143 AromaticContact ND1-CE2 3.56Å; H60-Y143 AromaticContact ND1-CG 3.47Å; H60-Y143 AromaticContact ND1-CZ 3.73Å; H60-Y143 AromaticContact NE2-CD1 3.79Å; H60-Y143 AromaticContact NE2-CG 3.66Å; I63-Y143 HydrophobicContact CG2-CE2 4.47Å; I63-Y143 WeakPolarHBondContact CG2-OH 3.42Å; L64-Y143 HydrophobicContact CD1-CD2 3.88Å; L64-Y143 HydrophobicContact CD1-CE2 4.24Å; L64-Y143 HydrophobicContact CD2-CD2 4.41Å; L64-Y143 HydrophobicContact CD2-CE2 4.13Å; L64-Y143 HydrophobicContact CG-CD2 4.07Å; L64-Y143 HydrophobicContact CG-CE2 3.89Å; T139-Y143 WeakPolarHBondContact O-CB 3.3Å; T139-Y143 PolarHBondContact O-N 3.24Å; T141-Y143 VanDerWaalsContact C-N 3.35Å; T141-Y143 PolarHBondContact O-N 2.82Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 3.5Å; Y143-R146 PolarHBondContact O-N 2.95Å; Y143-C147 PolarHBondContact O-N 3.5Å; Y143-C147 PolarHBondContact O-SG 3.35Å
144R96.5Very high95.3Very high177 Ų17788.6 Ų88.667%0.66842%0.418SS*.Hα-helixtrans-57.5-45.6177.7-173.6-174.1-59.1177.72.5111.8Q140 T141 C147 K148Q140-R144 WeakPolarHBondContact O-CB 3.49Å; Q140-R144 PolarHBondContact O-N 3.06Å; T141-R144 PolarHBondContact O-N 3.43Å; R144-C147 PolarHBondContact O-N 2.86Å; R144-K148 PolarHBondContact O-N 3.5Å
145E97.4Very high94.9Very high113 Ų11389.8 Ų89.853%0.52842%0.421SS..Hα-helixtrans-66.6-39.5-179.9-167.856.6-148.600111.7T141 D142 Y143 K148 G149T141-E145 PolarHBondContact O-N 3.46Å; D142-E145 PolarHBondContact O-N 3.19Å; Y143-E145 VanDerWaalsContact C-N 3.33Å; Y143-E145 PolarHBondContact O-N 3.5Å; E145-K148 WeakPolarHBondContact O-CB 3.38Å; E145-K148 PolarHBondContact O-N 3.02Å; E145-G149 PolarHBondContact O-N 3.38Å
146R95Very high94.6Very high155 Ų15591 Ų9159%0.58543%0.427SS*.Hα-helixtrans-64.6-40.5174.2-70.7179.7-172-1633112.7L64 D142 Y143 G149 R150L64-R146 HydrophobicContact CD1-CB 3.69Å; L64-R146 VanDerWaalsContact CD1-CD 3.47Å; L64-R146 HydrophobicContact CD1-CG 4.24Å; L64-R146 HydrophobicContact CD2-CB 4.08Å; D142-R146 VanDerWaalsContact O-CG 3.3Å; D142-R146 WeakPolarHBondContact O-CG 3.5Å; D142-R146 PolarHBondContact O-N 3.14Å; Y143-R146 PolarHBondContact O-N 2.95Å; R146-G149 PolarHBondContact O-N 3.27Å; R146-R150 PolarHBondContact O-N 3.2Å
147C92.4Very high94.1Very high32 Ų3295 Ų9522%0.21645%0.449CS..Hα-helixtrans-60.8-45.9173.7-760000111.4Y143 R144 G149 R150 I151Y143-C147 PolarHBondContact O-N 3.5Å; Y143-C147 PolarHBondContact O-SG 3.35Å; R144-C147 PolarHBondContact O-N 2.86Å; C147-G149 VanDerWaalsContact C-N 3.35Å; C147-G149 PolarHBondContact O-N 3.23Å; C147-R150 PolarHBondContact O-N 3.45Å; C147-I151 WeakPolarHBondContact O-CG1 3.42Å; C147-I151 PolarHBondContact O-N 3.04Å
148K94.3Very high93.4Very high130 Ų13093.7 Ų93.757%0.56546%0.458SS*.Hα-helixtrans-58.2-45.7175.6-177.2-174.4171.3-164.50111.7R144 E145 R150 I151 Q152R144-K148 PolarHBondContact O-N 3.5Å; E145-K148 WeakPolarHBondContact O-CB 3.38Å; E145-K148 PolarHBondContact O-N 3.02Å; K148-R150 PolarHBondContact O-N 2.94Å; K148-I151 PolarHBondContact O-N 2.94Å; K148-Q152 PolarHBondContact O-N 3.31Å
149G93.5Very high92.4Very high41 Ų4192.3 Ų92.342%0.42346%0.464SS..Hα-helixtrans-60.9-39.4176.100000113.8E145 R146 C147 R153E145-G149 PolarHBondContact O-N 3.38Å; R146-G149 PolarHBondContact O-N 3.27Å; C147-G149 VanDerWaalsContact C-N 3.35Å; C147-G149 PolarHBondContact O-N 3.23Å; G149-R153 WeakPolarHBondContact O-CB 3.22Å; G149-R153 PolarHBondContact O-N 3.17Å
150R90.6Very high90.7Very high73 Ų73100.4 Ų100.428%0.27551%0.513SS..Hα-helixtrans-63.1-44.4173.8-75.4179.671.4-173.413.6112I63 N66 R146 C147 K148 R153 Q154I63-R150 PolarHBondContact O-NH1 3.25Å; N66-R150 PolarHBondContact O-NH2 3.44Å; R146-R150 PolarHBondContact O-N 3.2Å; C147-R150 PolarHBondContact O-N 3.45Å; K148-R150 PolarHBondContact O-N 2.94Å; R150-R153 PolarHBondContact O-N 2.98Å; R150-Q154 WeakPolarHBondContact O-CG 3.45Å; R150-Q154 PolarHBondContact O-N 3.01Å
151I89Confident90.3Very high98 Ų98103.8 Ų103.850%0.50353%0.531SS..Hα-helixtrans-63.6-47.4179.3-66.5165.4000110.2C147 K148 R153 Q154 L155C147-I151 WeakPolarHBondContact O-CG1 3.42Å; C147-I151 PolarHBondContact O-N 3.04Å; K148-I151 PolarHBondContact O-N 2.94Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.34Å; I151-Q154 PolarHBondContact O-N 3.09Å; I151-Q154 VanDerWaalsContact O-N 3.1Å; I151-L155 HydrophobicContact CG2-CD1 4.21Å; I151-L155 WeakPolarHBondContact O-CG 3.42Å; I151-L155 PolarHBondContact O-N 3.07Å
152Q92.1Very high89.9Confident102 Ų102104.8 Ų104.848%0.47753%0.532SS..Hα-helixtrans-56.4-46.9177.2-173.660.653.800111.1K148 Q154 L155 D156K148-Q152 PolarHBondContact O-N 3.31Å; Q152-Q154 VanDerWaalsContact C-N 3.31Å; Q152-Q154 PolarHBondContact O-N 3.36Å; Q152-L155 WeakPolarHBondContact O-CB 3.42Å; Q152-L155 PolarHBondContact O-N 2.94Å; Q152-L155 VanDerWaalsContact O-N 3.17Å; Q152-D156 PolarHBondContact NE2-OD1 2.87Å; Q152-D156 PolarHBondContact O-N 3Å
153R91.1Very high89.5Confident179 Ų179106.6 Ų106.668%0.67554%0.54SS*.Hα-helixtrans-61.5-36.6177.4-172.8174-176.81561.9113.2G149 R150 I151 I157G149-R153 WeakPolarHBondContact O-CB 3.22Å; G149-R153 PolarHBondContact O-N 3.17Å; R150-R153 PolarHBondContact O-N 2.98Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.34Å; R153-I157 HydrophobicContact CG-CD1 4Å; R153-I157 WeakPolarHBondContact O-CD1 3.47Å; R153-I157 VanDerWaalsContact O-CG1 3.22Å; R153-I157 WeakPolarHBondContact O-CG1 3.49Å; R153-I157 PolarHBondContact O-N 3.1Å; R153-I157 VanDerWaalsContact O-N 3.09Å
154Q88.2Confident89.1Confident127 Ų127110.1 Ų110.159%0.59356%0.56SS**Hα-helixtrans-68-39175.8-75.8178.3-15.800112.1R150 I151 Q152 G158R150-Q154 WeakPolarHBondContact O-CG 3.45Å; R150-Q154 PolarHBondContact O-N 3.01Å; I151-Q154 PolarHBondContact O-N 3.09Å; I151-Q154 VanDerWaalsContact O-N 3.1Å; Q152-Q154 VanDerWaalsContact C-N 3.31Å; Q152-Q154 PolarHBondContact O-N 3.36Å; Q154-G158 PolarHBondContact O-N 3.39Å
155L90.9Very high88.6Confident107 Ų107105.9 Ų105.956%0.5655%0.554SS**Hα-helixtrans-64.3-43.5174.5-68.3172.3000111.4I151 Q152 I157 G158 S159I151-L155 HydrophobicContact CG2-CD1 4.21Å; I151-L155 WeakPolarHBondContact O-CG 3.42Å; I151-L155 PolarHBondContact O-N 3.07Å; Q152-L155 WeakPolarHBondContact O-CB 3.42Å; Q152-L155 PolarHBondContact O-N 2.94Å; Q152-L155 VanDerWaalsContact O-N 3.17Å; L155-I157 PolarHBondContact O-N 3.31Å; L155-G158 PolarHBondContact O-N 3.45Å; L155-S159 WeakPolarHBondContact O-CB 3.42Å; L155-S159 PolarHBondContact O-N 3.47Å; L155-S159 PolarHBondContact O-OG 3.05Å
156D91.7Very high88Confident81 Ų81105.4 Ų105.443%0.43356%0.555SS.*Hα-helixtrans-62.3-45.4178.6-60-20.5000110.9Q152 G158 S159Q152-D156 PolarHBondContact NE2-OD1 2.87Å; Q152-D156 PolarHBondContact O-N 3Å; D156-G158 PolarHBondContact O-N 3.5Å; D156-S159 PolarHBondContact O-N 2.75Å; D156-S159 PolarHBondContact O-OG 3.28Å
157I89.4Confident87.5Confident113 Ų113101.9 Ų101.958%0.57955%0.553SS**Hα-helixtrans-64.3-39.2177.4-67.5165.7000111.9R153 L155 S159R153-I157 HydrophobicContact CG-CD1 4Å; R153-I157 WeakPolarHBondContact O-CD1 3.47Å; R153-I157 VanDerWaalsContact O-CG1 3.22Å; R153-I157 WeakPolarHBondContact O-CG1 3.49Å; R153-I157 PolarHBondContact O-N 3.1Å; R153-I157 VanDerWaalsContact O-N 3.09Å; L155-I157 PolarHBondContact O-N 3.31Å; I157-S159 VanDerWaalsContact C-N 3.26Å; I157-S159 PolarHBondContact O-N 3.49Å
158G83.9Confident87.2Confident65 Ų65107.2 Ų107.267%0.6758%0.579SS**Hα-helixtrans-76.3-11.6179.300000114.4Q154 L155 D156Q154-G158 PolarHBondContact O-N 3.39Å; L155-G158 PolarHBondContact O-N 3.45Å; D156-G158 PolarHBondContact O-N 3.5Å
159S77.6Confident86.6Confident97 Ų97105.3 Ų105.368%0.67858%0.58SS**THydrogen-bonded Turntrans-88.9-3177.372.40000114.2L155 D156 I157L155-S159 WeakPolarHBondContact O-CB 3.42Å; L155-S159 PolarHBondContact O-N 3.47Å; L155-S159 PolarHBondContact O-OG 3.05Å; D156-S159 PolarHBondContact O-N 2.75Å; D156-S159 PolarHBondContact O-OG 3.28Å; I157-S159 VanDerWaalsContact C-N 3.26Å; I157-S159 PolarHBondContact O-N 3.49Å
160V60.9Low85.9Confident181 Ų181111.2 Ų111.2100%1.09760%0.595SS**  trans-100.60175.1-177.90000109.9

Retrieved 160 of 160 residues in 262.9 ms (Link to these results)

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