A0A087X1S1_HUMAN Loading...

Mitochondrial translation release factor 1

AlphaFold DB , UniProt , Accession A0A087X1S1, Species HUMAN (Homo sapiens, Human), Gene MTRF1, Length 153 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.7Very low40Very low243 Ų243133.3 Ų133.3100%1.19762%0.619SS**  01480-129.8141.769.700109.8R3M1-R3 PolarHBondContact O-N 3.29Å
2N36.1Very low40.2Very low91 Ų91132.9 Ų132.949%0.48762%0.617SS.*  trans-69.3109.2-141.4-145.2-32000116H4 L5N2-H4 PolarHBondContact O-N 3.15Å; N2-H4 VanDerWaalsContact O-N 3.13Å; N2-H4 WeakPolarHBondContact OD1-CB 3.37Å; N2-H4 PolarHBondContact OD1-CD2 3.15Å; N2-H4 VanDerWaalsContact OD1-CD2 3.22Å; N2-H4 PolarHBondContact OD1-N 3.1Å; N2-L5 HydrophobicContact CB-CD1 3.88Å; N2-L5 HydrophobicContact CB-CG 4.2Å; N2-L5 PolarHBondContact O-N 3.4Å
3R42Very low39.9Very low221 Ų221131.8 Ų131.883%0.83463%0.629SS**Hα-helixtrans-62.5-16.6174-71.9-178.2175.6178.9-0.3113.2M1M1-R3 PolarHBondContact O-N 3.29Å
4H39.6Very low40Very low148 Ų148129.4 Ų129.469%0.68563%0.632SS**Hα-helixtrans-78.8-24.8-179.4-60-77.8000113.4N2 V7 W8N2-H4 PolarHBondContact O-N 3.15Å; N2-H4 VanDerWaalsContact O-N 3.13Å; N2-H4 WeakPolarHBondContact OD1-CB 3.37Å; N2-H4 PolarHBondContact OD1-CD2 3.15Å; N2-H4 VanDerWaalsContact OD1-CD2 3.22Å; N2-H4 PolarHBondContact OD1-N 3.1Å; H4-V7 PolarHBondContact O-N 3.31Å; H4-W8 PolarHBondContact O-N 3.3Å; H4-W8 VanDerWaalsContact O-N 3.15Å
5L44.6Very low40Very low93 Ų93131.3 Ų131.349%0.48765%0.646SS.*Hα-helixtrans-67.6-40.1176.5-79.4164.8000111.8N2 V7 W8 L9N2-L5 HydrophobicContact CB-CD1 3.88Å; N2-L5 HydrophobicContact CB-CG 4.2Å; N2-L5 PolarHBondContact O-N 3.4Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.24Å; L5-W8 PolarHBondContact O-N 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.23Å
6C39.3Very low39.8Very low79 Ų79132.6 Ų132.653%0.53466%0.656SS.*Hα-helixtrans-67-24.8175.5-65.30000113.1F10C6-F10 WeakPolarHBondContact O-CD2 3.26Å
7V37.3Very low39.2Very low73 Ų73128.2 Ų128.244%0.44265%0.653SS.*Hα-helixtrans-82.1-33.2176.9177.70000110.9H4 L5 R11H4-V7 PolarHBondContact O-N 3.31Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.24Å; V7-R11 HydrophobicContact CG1-CG 4.05Å; V7-R11 WeakPolarHBondContact O-CB 3.37Å; V7-R11 PolarHBondContact O-N 3.45Å
8W41.2Very low39.3Very low153 Ų153132.7 Ų132.758%0.5866%0.662SS**Hα-helixtrans-69.5-40.2-179.1-153.382.2000112.6H4 L5 F10H4-W8 PolarHBondContact O-N 3.3Å; H4-W8 VanDerWaalsContact O-N 3.15Å; L5-W8 PolarHBondContact O-N 3.4Å; W8-F10 PolarHBondContact O-N 3.22Å; W8-F10 VanDerWaalsContact O-N 3.08Å
9L44.4Very low39.1Very low88 Ų88133.7 Ų133.746%0.46167%0.669SS.*THydrogen-bonded Turntrans-61.2-19179.2-69.9171.9000114.5L5 L116L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.23Å; L9-L116 HydrophobicContact CD2-CD2 3.78Å
10F41.3Very low39.2Very low85 Ų85134.5 Ų134.537%0.37367%0.67SS.*THydrogen-bonded Turntrans-124.71-173-62.1-81.1000115.1C6 W8 H12 L50 L53 W57C6-F10 WeakPolarHBondContact O-CD2 3.26Å; W8-F10 PolarHBondContact O-N 3.22Å; W8-F10 VanDerWaalsContact O-N 3.08Å; F10-H12 PolarHBondContact O-N 2.91Å; F10-L50 HydrophobicContact CD1-CD2 3.73Å; F10-L50 HydrophobicContact CE1-CD2 3.55Å; F10-L53 HydrophobicContact CE1-CD1 4.14Å; F10-L53 HydrophobicContact CZ-CD1 3.87Å; F10-W57 HydrophobicContact CD2-CH2 4.43Å; F10-W57 HydrophobicContact CD2-CZ2 4.43Å; F10-W57 HydrophobicContact CE2-CZ2 4.1Å; F10-W57 HydrophobicContact CZ-CZ2 4.5Å
11R35.9Very low38.8Very low192 Ų192132.9 Ų132.973%0.72567%0.671SS**  trans-86.411.2-175.1-105.1-162.5-179.5-160.31.1116.9V7 P13V7-R11 HydrophobicContact CG1-CG 4.05Å; V7-R11 WeakPolarHBondContact O-CB 3.37Å; V7-R11 PolarHBondContact O-N 3.45Å; R11-P13 VanDerWaalsContact C-CD 3.43Å; R11-P13 VanDerWaalsContact O-CD 3.26Å; R11-P13 WeakPolarHBondContact O-CD 3.37Å
12H42Very low38.9Very low129 Ų129129.5 Ų129.560%0.59765%0.652SS**  trans-114.382.5172.2-67.3-72.7000113.3F10 S14F10-H12 PolarHBondContact O-N 2.91Å; H12-S14 VanDerWaalsContact C-N 3.34Å
13P37Very low38.7Very low119 Ų119132.5 Ų132.577%0.77367%0.666SS**  trans-80.4-7165.1-9.526.6000114.2R11 L15R11-P13 VanDerWaalsContact C-CD 3.43Å; R11-P13 VanDerWaalsContact O-CD 3.26Å; R11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-L15 PolarHBondContact O-N 2.7Å
14S41.4Very low38.3Very low97 Ų97130.8 Ų130.868%0.67867%0.667SS**  trans-95.280.9-169.560.90000112.8H12H12-S14 VanDerWaalsContact C-N 3.34Å
15L38.6Very low38.2Very low159 Ų159129.7 Ų129.783%0.83267%0.666SS**  trans-129.449.7150.5-93.3162.7000108.8P13P13-L15 PolarHBondContact O-N 2.7Å
16N37.8Very low37.7Very low152 Ų152134.3 Ų134.381%0.81369%0.685SS**  trans-101.880152.5-161.726.7000106.5
17G30.2Very low37.2Very low58 Ų58136.4 Ų136.460%0.59870%0.7SS**  trans-133.284.8177.200000107.2L19G17-L19 PolarHBondContact O-N 3.4Å; G17-L19 VanDerWaalsContact O-N 3.1Å
18Y40.9Very low37.1Very low209 Ų209137.5 Ų137.582%0.8270%0.701SS**  trans-55.8109.3163.8-112.9-102.1000107.6
19L35.5Very low36.8Very low152 Ų152137.5 Ų137.580%0.79671%0.707SS**  trans-134.796.1161.6-111.5139.2000107.6G17 C21G17-L19 PolarHBondContact O-N 3.4Å; G17-L19 VanDerWaalsContact O-N 3.1Å; L19-C21 PolarHBondContact O-N 3.29Å; L19-C21 VanDerWaalsContact O-N 3.15Å
20Q40.3Very low36.3Very low149 Ų149143 Ų14370%0.69673%0.728SS**  trans-66.596.8173.4-177.3168.4-600108.3
21C31.4Very low36Very low101 Ų101149.1 Ų149.168%0.68275%0.748SS**  trans-110.594.8168.1-67.40000108.5L19 I23L19-C21 PolarHBondContact O-N 3.29Å; L19-C21 VanDerWaalsContact O-N 3.15Å; C21-I23 PolarHBondContact O-N 3.13Å
22H39.6Very low36.2Very low171 Ų171143.4 Ų143.479%0.79273%0.729SS**  trans-68.8103.6163.4-89-72.9000108.8
23I33.5Very low35.9Very low154 Ų154142.7 Ų142.779%0.7973%0.729SS**  trans-133.6129.3159.3-58.7-178.6000108.1C21 L25C21-I23 PolarHBondContact O-N 3.13Å; I23-L25 PolarHBondContact O-N 3.46Å
24Q32.3Very low36.1Very low185 Ų185143 Ų14386%0.86472%0.72SS**  trans-44.3122.5-167.3-80159.2-74.300115.3H26Q24-H26 PolarHBondContact O-N 3.27Å
25L38.4Very low35.9Very low126 Ų126143.6 Ų143.666%0.6672%0.715SS**  trans-57121.5155.6-78.2128.8000109.6I23I23-L25 PolarHBondContact O-N 3.46Å
26H34Very low36Very low190 Ų190140.1 Ų140.188%0.8870%0.697SS**SBendtrans-158.14.3146.1-102.8-63.8000116.3Q24Q24-H26 PolarHBondContact O-N 3.27Å
27S29.1Very low36.2Very low122 Ų122136.4 Ų136.485%0.85368%0.68SS**SBendtrans-125.77.8173.662.90000114.9
28H35.5Very low36.6Very low97 Ų97138.1 Ų138.145%0.44967%0.668SS.*  trans-94.4-5.8-157-130.4-45.3000116.6F30 Q32H28-F30 PolarHBondContact O-N 3Å; H28-Q32 PolarHBondContact CE1-NE2 2.98Å; H28-Q32 VanDerWaalsContact CE1-NE2 3.32Å; H28-Q32 PolarHBondContact CE1-OE1 3.38Å; H28-Q32 PolarHBondContact ND1-OE1 3.39Å; H28-Q32 VanDerWaalsContact O-CB 3.24Å; H28-Q32 WeakPolarHBondContact O-CB 3.47Å
29Q33.9Very low36.7Very low152 Ų152132.5 Ų132.571%0.7165%0.652SS**THydrogen-bonded Turntrans-79.8-19.1-162.9-79.4178.6-22.700116.5I33Q29-I33 VanDerWaalsContact O-CD1 3.23Å; Q29-I33 WeakPolarHBondContact O-CD1 3.32Å
30F33Very low37Very low205 Ų205131 Ų13190%0.89964%0.641SS**THydrogen-bonded Turntrans-98-17.9-173.2-106.6-88.8000116.3H28H28-F30 PolarHBondContact O-N 3Å
31R36.7Very low37.1Very low213 Ų213127.4 Ų127.480%0.80463%0.629SS**THydrogen-bonded Turntrans-112.3-19.2177.1-82.1-168.7-173.9-150.62.6115.1
32Q38.9Very low37.6Very low71 Ų71124 Ų12433%0.33260%0.603SS.*Hα-helixtrans-75-35.5-175.9-156.2168.419.800112.1H28 H34 L35 D36H28-Q32 PolarHBondContact CE1-NE2 2.98Å; H28-Q32 VanDerWaalsContact CE1-NE2 3.32Å; H28-Q32 PolarHBondContact CE1-OE1 3.38Å; H28-Q32 PolarHBondContact ND1-OE1 3.39Å; H28-Q32 VanDerWaalsContact O-CB 3.24Å; H28-Q32 WeakPolarHBondContact O-CB 3.47Å; Q32-H34 VanDerWaalsContact C-N 3.33Å; Q32-H34 PolarHBondContact O-N 3.04Å; Q32-L35 PolarHBondContact O-N 3.4Å; Q32-D36 WeakPolarHBondContact O-CB 3.31Å; Q32-D36 PolarHBondContact O-N 2.93Å
33I35.7Very low38.1Very low114 Ų114124.6 Ų124.659%0.58560%0.598SS**Hα-helixtrans-61.8-38.8-177.4-56.1174.2000111.6Q29 T37Q29-I33 VanDerWaalsContact O-CD1 3.23Å; Q29-I33 WeakPolarHBondContact O-CD1 3.32Å; I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 3.48Å; I33-T37 PolarHBondContact O-N 3.48Å; I33-T37 PolarHBondContact O-OG1 3.33Å
34H41.1Very low38.8Very low127 Ų127123 Ų12359%0.58859%0.587SS**Hα-helixtrans-74.6-36.5178.2-171.4-106.8000112.7Q32 R38Q32-H34 VanDerWaalsContact C-N 3.33Å; Q32-H34 PolarHBondContact O-N 3.04Å; H34-R38 WeakPolarHBondContact O-CB 3.42Å; H34-R38 VanDerWaalsContact O-CG 3.25Å; H34-R38 WeakPolarHBondContact O-CG 3.48Å; H34-R38 PolarHBondContact O-N 3.07Å; H34-R38 VanDerWaalsContact O-N 3.08Å
35L37.7Very low39.6Very low109 Ų109115.8 Ų115.857%0.57156%0.555SS**Hα-helixtrans-71-42.4175.9-96.3138.7000112Q32 R38 L39Q32-L35 PolarHBondContact O-N 3.4Å; L35-R38 PolarHBondContact O-N 3.33Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.17Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.34Å
36D40.5Very low40.3Very low85 Ų85115.9 Ų115.946%0.45555%0.546SS..Hα-helixtrans-66.7-42.6176.4-92.2-33.6000111.7Q32 R38 L39 Q40Q32-D36 WeakPolarHBondContact O-CB 3.31Å; Q32-D36 PolarHBondContact O-N 2.93Å; D36-R38 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 2.82Å; D36-L39 PolarHBondContact O-N 3.28Å; D36-Q40 WeakPolarHBondContact O-CB 3.42Å; D36-Q40 PolarHBondContact O-N 3.33Å
37T41.8Very low41.4Very low74 Ų74111.7 Ų111.745%0.45453%0.53SS..Hα-helixtrans-62.9-42.1175.8-51.60000110.6I33 Q40 V41I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 3.48Å; I33-T37 PolarHBondContact O-N 3.48Å; I33-T37 PolarHBondContact O-OG1 3.33Å; T37-Q40 PolarHBondContact O-N 3.45Å; T37-V41 VanDerWaalsContact O-CG2 3.25Å; T37-V41 WeakPolarHBondContact O-CG2 3.45Å; T37-V41 PolarHBondContact O-N 3.09Å
38R39.8Very low42.8Very low94 Ų94109.5 Ų109.536%0.35551%0.514SS..Hα-helixtrans-64-47.7174.8-74.9-176.277.8-175.93.8111.3H34 L35 D36 Q40 V41 F42H34-R38 WeakPolarHBondContact O-CB 3.42Å; H34-R38 VanDerWaalsContact O-CG 3.25Å; H34-R38 WeakPolarHBondContact O-CG 3.48Å; H34-R38 PolarHBondContact O-N 3.07Å; H34-R38 VanDerWaalsContact O-N 3.08Å; L35-R38 PolarHBondContact O-N 3.33Å; D36-R38 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 2.82Å; R38-Q40 VanDerWaalsContact C-N 3.31Å; R38-Q40 PolarHBondContact O-N 3.39Å; R38-V41 PolarHBondContact O-N 3.48Å; R38-F42 VanDerWaalsContact C-CD2 3.41Å; R38-F42 HydrophobicContact CB-CD2 4.3Å; R38-F42 HydrophobicContact CB-CE2 4.08Å; R38-F42 WeakPolarHBondContact O-CB 3.34Å; R38-F42 WeakPolarHBondContact O-CD2 3.29Å; R38-F42 WeakPolarHBondContact O-CG 3.23Å; R38-F42 PolarHBondContact O-N 3.23Å
39L41.8Very low43.8Very low92 Ų92105.8 Ų105.848%0.48250%0.497SS..Hα-helixtrans-60.7-36.1177.2-77.6166.2000112.8L35 D36 F42 R43L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.17Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.34Å; D36-L39 PolarHBondContact O-N 3.28Å; L39-F42 WeakPolarHBondContact O-CB 3.47Å; L39-F42 PolarHBondContact O-N 3.08Å; L39-R43 PolarHBondContact O-N 2.93Å
40Q41.8Very low45Very low119 Ų119101.4 Ų101.456%0.55648%0.479SS*.Hα-helixtrans-71.3-42.6177.7-165.8174.914.600111.6D36 T37 R38 F42 R43 Q44D36-Q40 WeakPolarHBondContact O-CB 3.42Å; D36-Q40 PolarHBondContact O-N 3.33Å; T37-Q40 PolarHBondContact O-N 3.45Å; R38-Q40 VanDerWaalsContact C-N 3.31Å; R38-Q40 PolarHBondContact O-N 3.39Å; Q40-F42 VanDerWaalsContact C-N 3.3Å; Q40-F42 PolarHBondContact O-N 3.01Å; Q40-R43 PolarHBondContact O-N 3.39Å; Q40-Q44 PolarHBondContact O-N 3.16Å
41V42.3Very low46.3Very low74 Ų7496.6 Ų96.645%0.44846%0.459SS..Hα-helixtrans-60.4-41.8170172.10000110.3T37 R38 Q44 N45T37-V41 VanDerWaalsContact O-CG2 3.25Å; T37-V41 WeakPolarHBondContact O-CG2 3.45Å; T37-V41 PolarHBondContact O-N 3.09Å; R38-V41 PolarHBondContact O-N 3.48Å; V41-Q44 PolarHBondContact O-N 3.47Å; V41-N45 WeakPolarHBondContact O-CB 3.49Å; V41-N45 PolarHBondContact O-N 2.96Å
42F42.7Very low47.3Very low31 Ų3189.3 Ų89.314%0.13644%0.435CS..Hα-helixtrans-62.5-41.4175.2-76.1-63.4000112.4R38 L39 Q40 R46 Y78 N81 L82R38-F42 VanDerWaalsContact C-CD2 3.41Å; R38-F42 HydrophobicContact CB-CD2 4.3Å; R38-F42 HydrophobicContact CB-CE2 4.08Å; R38-F42 WeakPolarHBondContact O-CB 3.34Å; R38-F42 WeakPolarHBondContact O-CD2 3.29Å; R38-F42 WeakPolarHBondContact O-CG 3.23Å; R38-F42 PolarHBondContact O-N 3.23Å; L39-F42 WeakPolarHBondContact O-CB 3.47Å; L39-F42 PolarHBondContact O-N 3.08Å; Q40-F42 VanDerWaalsContact C-N 3.3Å; Q40-F42 PolarHBondContact O-N 3.01Å; F42-R46 WeakPolarHBondContact O-CB 3.33Å; F42-R46 PolarHBondContact O-N 2.76Å; F42-Y78 HydrophobicContact CD1-CD2 4.4Å; F42-Y78 HydrophobicContact CD1-CE2 4.09Å; F42-N81 HydrophobicContact CE1-CB 3.92Å; F42-N81 HydrophobicContact CZ-CB 4.15Å; F42-L82 HydrophobicContact CD1-CD2 4.5Å; F42-L82 HydrophobicContact CE1-CD2 4.08Å
43R49.6Very low48.1Very low182 Ų18287.5 Ų87.569%0.68743%0.428SS*.Hα-helixtrans-62.5-48.2174.9-98.9-169.8179.5-156.60.9112.2L39 Q40 R46 N47L39-R43 PolarHBondContact O-N 2.93Å; Q40-R43 PolarHBondContact O-N 3.39Å; R43-R46 PolarHBondContact O-N 3.22Å; R43-N47 PolarHBondContact O-N 3.49Å; R43-N47 PolarHBondContact O-ND2 3.43Å
44Q47.8Very low49.1Very low122 Ų12285.6 Ų85.657%0.5742%0.424SS*.Hα-helixtrans-63.7-43.9179-87.2166.6-19.400111.7Q40 V41 R46 N47 C48Q40-Q44 PolarHBondContact O-N 3.16Å; V41-Q44 PolarHBondContact O-N 3.47Å; Q44-R46 PolarHBondContact O-N 3.45Å; Q44-N47 PolarHBondContact O-N 3.32Å; Q44-C48 PolarHBondContact O-N 3.46Å; Q44-C48 VanDerWaalsContact O-N 3.15Å; Q44-C48 PolarHBondContact O-SG 2.83Å; Q44-C48 VanDerWaalsContact O-SG 3.41Å
45N50.4Low49.9Very low33 Ų3386.7 Ų86.718%0.17643%0.428CS..Hα-helixtrans-69.4-36.2-178.8-150-6000111.7V41 N47 C48 I49 Y78V41-N45 WeakPolarHBondContact O-CB 3.49Å; V41-N45 PolarHBondContact O-N 2.96Å; N45-N47 VanDerWaalsContact C-N 3.35Å; N45-N47 PolarHBondContact O-N 2.78Å; N45-C48 PolarHBondContact O-N 3.16Å; N45-I49 WeakPolarHBondContact O-CB 3.35Å; N45-I49 WeakPolarHBondContact O-CD1 3.43Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.31Å; N45-I49 PolarHBondContact O-N 3.34Å; N45-Y78 HydrophobicContact CB-CD2 4.45Å
46R52.1Low50.6Low127 Ų12784.5 Ų84.548%0.47942%0.416SS..Hα-helixtrans-60.7-41.5173.3-172.9179.2170.8-161.5-4.3112F42 R43 Q44 I49 L50F42-R46 WeakPolarHBondContact O-CB 3.33Å; F42-R46 PolarHBondContact O-N 2.76Å; R43-R46 PolarHBondContact O-N 3.22Å; Q44-R46 PolarHBondContact O-N 3.45Å; R46-I49 PolarHBondContact O-N 2.98Å; R46-L50 HydrophobicContact CG-CD1 3.96Å; R46-L50 HydrophobicContact CG-CG 4.47Å; R46-L50 VanDerWaalsContact O-CB 3.29Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 WeakPolarHBondContact O-CD1 3.24Å; R46-L50 VanDerWaalsContact O-CG 3.23Å; R46-L50 WeakPolarHBondContact O-CG 3.23Å; R46-L50 PolarHBondContact O-N 3.13Å
47N58.2Low51.1Low103 Ų10388.2 Ų88.255%0.55142%0.424SS*.Hα-helixtrans-66.3-41.6177.2-69.2-20.3000112.1R43 Q44 N45 L50 H51R43-N47 PolarHBondContact O-N 3.49Å; R43-N47 PolarHBondContact O-ND2 3.43Å; Q44-N47 PolarHBondContact O-N 3.32Å; N45-N47 VanDerWaalsContact C-N 3.35Å; N45-N47 PolarHBondContact O-N 2.78Å; N47-L50 PolarHBondContact O-N 3.03Å; N47-H51 WeakPolarHBondContact O-CB 3.39Å; N47-H51 PolarHBondContact O-N 2.93Å
48C56.7Low51.4Low75 Ų7587.8 Ų87.851%0.50742%0.424SS..Hα-helixtrans-62.7-43.3175.7-67.90000112Q44 N45 H51 L52Q44-C48 PolarHBondContact O-N 3.46Å; Q44-C48 VanDerWaalsContact O-N 3.15Å; Q44-C48 PolarHBondContact O-SG 2.83Å; Q44-C48 VanDerWaalsContact O-SG 3.41Å; N45-C48 PolarHBondContact O-N 3.16Å; C48-H51 PolarHBondContact O-N 2.94Å; C48-L52 WeakPolarHBondContact O-CB 3.38Å; C48-L52 PolarHBondContact O-N 3.19Å
49I56.8Low52.1Low19 Ų1995 Ų9510%0.09745%0.451CS..Hα-helixtrans-69-42.4178.8-68.1165.3000110.9N45 R46 H51 L52 L53 L75 Y78N45-I49 WeakPolarHBondContact O-CB 3.35Å; N45-I49 WeakPolarHBondContact O-CD1 3.43Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.31Å; N45-I49 PolarHBondContact O-N 3.34Å; R46-I49 PolarHBondContact O-N 2.98Å; I49-H51 VanDerWaalsContact C-N 3.3Å; I49-H51 PolarHBondContact O-N 3.28Å; I49-L52 PolarHBondContact O-N 3.33Å; I49-L53 HydrophobicContact CG2-CD1 3.73Å; I49-L53 HydrophobicContact CG2-CG 4.25Å; I49-L53 WeakPolarHBondContact O-CB 3.21Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 3.06Å; I49-L75 HydrophobicContact CD1-CD1 4.16Å; I49-L75 HydrophobicContact CG1-CD1 4.47Å; I49-L75 HydrophobicContact CG2-CD1 4.02Å; I49-Y78 HydrophobicContact CD1-CD1 3.61Å; I49-Y78 HydrophobicContact CD1-CD2 3.92Å; I49-Y78 HydrophobicContact CD1-CE1 4.27Å; I49-Y78 HydrophobicContact CD1-CG 3.39Å
50L59.5Low52.3Low61 Ų61101.3 Ų101.332%0.31947%0.469SS..Hα-helixtrans-58.5-42.6173.9-80.2165.6000111.7F10 R46 N47 L53 S54F10-L50 HydrophobicContact CD1-CD2 3.73Å; F10-L50 HydrophobicContact CE1-CD2 3.55Å; R46-L50 HydrophobicContact CG-CD1 3.96Å; R46-L50 HydrophobicContact CG-CG 4.47Å; R46-L50 VanDerWaalsContact O-CB 3.29Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 WeakPolarHBondContact O-CD1 3.24Å; R46-L50 VanDerWaalsContact O-CG 3.23Å; R46-L50 WeakPolarHBondContact O-CG 3.23Å; R46-L50 PolarHBondContact O-N 3.13Å; N47-L50 PolarHBondContact O-N 3.03Å; L50-L53 PolarHBondContact O-N 2.84Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.24Å; L50-S54 PolarHBondContact O-OG 3.33Å
51H59.9Low52.6Low104 Ų104102.8 Ų102.848%0.48147%0.47SS..Hα-helixtrans-66.9-43.5177.2-177.8-108000111.9N47 C48 I49 L53 S54 K55N47-H51 WeakPolarHBondContact O-CB 3.39Å; N47-H51 PolarHBondContact O-N 2.93Å; C48-H51 PolarHBondContact O-N 2.94Å; I49-H51 VanDerWaalsContact C-N 3.3Å; I49-H51 PolarHBondContact O-N 3.28Å; H51-L53 PolarHBondContact O-N 3.24Å; H51-S54 WeakPolarHBondContact CA-OG 3.48Å; H51-S54 PolarHBondContact O-N 2.79Å; H51-S54 PolarHBondContact O-OG 3.04Å; H51-K55 WeakPolarHBondContact CE1-CE 3.26Å; H51-K55 WeakPolarHBondContact NE2-CE 3.18Å; H51-K55 PolarHBondContact O-N 3.42Å; H51-K55 VanDerWaalsContact O-N 3.09Å
52L57.2Low52.9Low59 Ų59103 Ų10331%0.30947%0.474SS..Hα-helixtrans-60.5-43173.9-114.7125.7000112C48 I49 N56 L69C48-L52 WeakPolarHBondContact O-CB 3.38Å; C48-L52 PolarHBondContact O-N 3.19Å; I49-L52 PolarHBondContact O-N 3.33Å; L52-N56 PolarHBondContact O-N 3.09Å; L52-N56 PolarHBondContact O-ND2 2.85Å; L52-L69 HydrophobicContact CD2-CD1 4.46Å
53L57Low53.4Low34 Ų34110.4 Ų110.418%0.17851%0.509CS..Hα-helixtrans-63.5-49175.5-72.6166.7000110.3F10 I49 L50 H51 K55 N56 W57 L69F10-L53 HydrophobicContact CE1-CD1 4.14Å; F10-L53 HydrophobicContact CZ-CD1 3.87Å; I49-L53 HydrophobicContact CG2-CD1 3.73Å; I49-L53 HydrophobicContact CG2-CG 4.25Å; I49-L53 WeakPolarHBondContact O-CB 3.21Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 3.06Å; L50-L53 PolarHBondContact O-N 2.84Å; H51-L53 PolarHBondContact O-N 3.24Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.26Å; L53-N56 PolarHBondContact O-N 2.76Å; L53-W57 PolarHBondContact O-N 2.85Å; L53-L69 HydrophobicContact CD2-CD1 3.89Å; L53-L69 HydrophobicContact CD2-CD2 3.5Å; L53-L69 HydrophobicContact CD2-CG 4.35Å
54S57.1Low53.4Low73 Ų73108.9 Ų108.951%0.5151%0.509SS..Hα-helixtrans-59.2-36.5-178.474.10000113.9L50 H51 N56 W57L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.24Å; L50-S54 PolarHBondContact O-OG 3.33Å; H51-S54 WeakPolarHBondContact CA-OG 3.48Å; H51-S54 PolarHBondContact O-N 2.79Å; H51-S54 PolarHBondContact O-OG 3.04Å; S54-N56 VanDerWaalsContact C-N 3.32Å; S54-N56 PolarHBondContact O-N 3.05Å; S54-W57 PolarHBondContact O-N 3.22Å
55K58Low53.9Low151 Ų151105.5 Ų105.566%0.65750%0.495SS*.Hα-helixtrans-70.2-28.3177-78.2-171.5170.9-175.50113.2H51 L53H51-K55 WeakPolarHBondContact CE1-CE 3.26Å; H51-K55 WeakPolarHBondContact NE2-CE 3.18Å; H51-K55 PolarHBondContact O-N 3.42Å; H51-K55 VanDerWaalsContact O-N 3.09Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.26Å
56N52.1Low54.2Low62 Ų62108.1 Ų108.133%0.33251%0.513SS..Hα-helixtrans-91.9-0.8-179.4-67.9-53.1000113L52 L53 S54 S58L52-N56 PolarHBondContact O-N 3.09Å; L52-N56 PolarHBondContact O-ND2 2.85Å; L53-N56 PolarHBondContact O-N 2.76Å; S54-N56 VanDerWaalsContact C-N 3.32Å; S54-N56 PolarHBondContact O-N 3.05Å; N56-S58 PolarHBondContact O-N 3.31Å
57W49.7Very low54.7Low164 Ų164108.6 Ų108.662%0.62152%0.518SS*.  trans-81.835.5-179.4-83.736.5000114F10 L53 S54 R59F10-W57 HydrophobicContact CD2-CH2 4.43Å; F10-W57 HydrophobicContact CD2-CZ2 4.43Å; F10-W57 HydrophobicContact CE2-CZ2 4.1Å; F10-W57 HydrophobicContact CZ-CZ2 4.5Å; L53-W57 PolarHBondContact O-N 2.85Å; S54-W57 PolarHBondContact O-N 3.22Å; W57-R59 PolarHBondContact O-N 3.45Å
58S49.3Very low54.9Low65 Ų65110.3 Ų110.346%0.45553%0.525SS..  trans-70.1113.9163176.10000108.5N56 R60 Y61N56-S58 PolarHBondContact O-N 3.31Å; S58-R60 PolarHBondContact O-N 2.82Å; S58-Y61 PolarHBondContact O-N 3.48Å
59R53.3Low55.6Low245 Ų245108.4 Ų108.493%0.92551%0.509SS*.THydrogen-bonded Turntrans-56.1-2-173.4-151179.6-164.6-164.14.6115.4W57W57-R59 PolarHBondContact O-N 3.45Å
60R47.4Very low56.4Low225 Ų225109.1 Ų109.185%0.84951%0.511SS*.THydrogen-bonded Turntrans-112.5-3.6-174.7-66.3-163.3-88-160.8-2.2115.5S58S58-R60 PolarHBondContact O-N 2.82Å
61Y46.7Very low57.2Low149 Ų149113 Ų11358%0.58453%0.525SS*.  trans-127.315.2-172.7-80.2-87.4000116.2S58 H63 Q64S58-Y61 PolarHBondContact O-N 3.48Å; Y61-H63 PolarHBondContact O-N 2.93Å; Y61-Q64 PolarHBondContact O-N 3.4Å
62C50.5Low58.3Low79 Ų79111.8 Ų111.853%0.53452%0.519SS..THydrogen-bonded Turntrans-64.1-2.9-168.6-65.20000117.7T66C62-T66 PolarHBondContact O-OG1 3.27Å
63H52Low59.4Low186 Ų186117.3 Ų117.386%0.86154%0.541SS*.THydrogen-bonded Turntrans-97.6-25.7-179.2-77.8-23.7000115.1Y61Y61-H63 PolarHBondContact O-N 2.93Å
64Q50.6Low60.2Low150 Ų150117.4 Ų117.470%0.70155%0.546SS*.THydrogen-bonded Turntrans-90.5-34.3175.9-96.7170.2-21.200112.6Y61Y61-Q64 PolarHBondContact O-N 3.4Å
65D57.4Low61.3Low52 Ų52115 Ų11528%0.27853%0.528SS..Hα-helixtrans-81.4-22.4-170.1-66.7-28.3000114.3K67 M68 L69D65-K67 PolarHBondContact O-N 3.41Å; D65-M68 CarbonylContact O-C 3.56Å; D65-M68 WeakPolarHBondContact O-CB 3.49Å; D65-M68 PolarHBondContact O-N 2.97Å; D65-L69 WeakPolarHBondContact O-CB 3.25Å; D65-L69 PolarHBondContact O-N 3.44Å
66T57.5Low62.6Low88 Ų88110.9 Ų110.954%0.5451%0.511SS..Hα-helixtrans-66.8-38.9179.923.10000112.2C62 M68 L69 W70C62-T66 PolarHBondContact O-OG1 3.27Å; T66-M68 VanDerWaalsContact C-N 3.33Å; T66-L69 PolarHBondContact O-N 2.86Å; T66-W70 PolarHBondContact O-N 3.47Å; T66-W70 VanDerWaalsContact O-N 3.08Å
67K61.3Low64.2Low136 Ų136112.4 Ų112.459%0.59152%0.515SS*.Hα-helixtrans-67-35.3172-165.9172.6-174.8173.70111.4D65 K71D65-K67 PolarHBondContact O-N 3.41Å; K67-K71 VanDerWaalsContact O-CG 3.31Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 3.45Å
68M63.9Low65.7Low140 Ų140106.6 Ų106.669%0.6949%0.493SS*.Hα-helixtrans-69.6-38.2174.7-72.8-130.4171.100112.7D65 T66 K71 H72D65-M68 CarbonylContact O-C 3.56Å; D65-M68 WeakPolarHBondContact O-CB 3.49Å; D65-M68 PolarHBondContact O-N 2.97Å; T66-M68 VanDerWaalsContact C-N 3.33Å; M68-K71 PolarHBondContact O-N 2.95Å; M68-H72 PolarHBondContact O-N 3.44Å
69L70.1Confident67.5Low34 Ų34104.6 Ų104.618%0.17848%0.477CS..Hα-helixtrans-65.8-44.2178.9-168105.5000110.9L52 L53 D65 T66 K71 H72 L75L52-L69 HydrophobicContact CD2-CD1 4.46Å; L53-L69 HydrophobicContact CD2-CD1 3.89Å; L53-L69 HydrophobicContact CD2-CD2 3.5Å; L53-L69 HydrophobicContact CD2-CG 4.35Å; D65-L69 WeakPolarHBondContact O-CB 3.25Å; D65-L69 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 2.86Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.47Å; L69-H72 WeakPolarHBondContact O-CB 3.3Å; L69-H72 PolarHBondContact O-N 3.3Å; L69-H72 VanDerWaalsContact O-N 3.07Å; L69-L75 HydrophobicContact CD2-CD2 3.51Å; L69-L75 HydrophobicContact CG-CD2 3.88Å; L69-L75 WeakPolarHBondContact O-CD2 3.21Å
70W74.2Confident69.1Low34 Ų3495.5 Ų95.513%0.12945%0.445CS..Hα-helixtrans-61.9-37174.9179.1-107.9000112.9T66 H72 Q76 M79 Y120 I123 E127T66-W70 PolarHBondContact O-N 3.47Å; T66-W70 VanDerWaalsContact O-N 3.08Å; W70-H72 PolarHBondContact O-N 3.17Å; W70-H72 VanDerWaalsContact O-N 3.07Å; W70-Q76 HydrophobicContact CZ2-CG 4.42Å; W70-Q76 WeakPolarHBondContact O-CG 3.37Å; W70-Q76 PolarHBondContact O-NE2 3.31Å; W70-M79 HydrophobicContact CZ3-CB 4.4Å; W70-M79 HydrophobicContact CZ3-CG 4.05Å; W70-Y120 AromaticContact CH2-CD2 3.59Å; W70-Y120 HydrophobicContact CH2-CD2 3.59Å; W70-Y120 AromaticContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CZ2-CE2 4.24Å; W70-Y120 HydrophobicContact CZ3-CD2 4.34Å; W70-I123 HydrophobicContact CD2-CD1 4.45Å; W70-I123 HydrophobicContact CD2-CG2 3.87Å; W70-I123 HydrophobicContact CE3-CD1 3.93Å; W70-I123 HydrophobicContact CE3-CG2 4.36Å; W70-I123 HydrophobicContact CG-CG2 4.43Å; W70-I123 HydrophobicContact CH2-CB 4.21Å; W70-I123 HydrophobicContact CH2-CD1 3.95Å; W70-I123 HydrophobicContact CH2-CG2 3.77Å; W70-I123 HydrophobicContact CZ2-CB 4.15Å; W70-I123 HydrophobicContact CZ2-CG2 3.28Å; W70-I123 HydrophobicContact CZ3-CD1 3.64Å; W70-I123 HydrophobicContact CZ3-CG2 4.3Å; W70-E127 VanDerWaalsContact CD1-OE1 3.27Å; W70-E127 PolarHBondContact NE1-OE1 2.93Å; W70-E127 PolarHBondContact NE1-OE2 3.5Å
71K76.5Confident70.9Confident142 Ų14286.6 Ų86.662%0.61741%0.414SS*.THydrogen-bonded Turntrans-64.8-8.8174.7-75.2-178.6175.4-164.10113.9K67 M68 L69 K73K67-K71 VanDerWaalsContact O-CG 3.31Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 3.45Å; M68-K71 PolarHBondContact O-N 2.95Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.47Å; K71-K73 PolarHBondContact O-N 2.82Å
72H81.8Confident72.7Confident80 Ų8079.9 Ų79.937%0.3739%0.388SS..  trans-74115.9177.8-167-91000111.3M68 L69 W70 A74 L75 Q76M68-H72 PolarHBondContact O-N 3.44Å; L69-H72 WeakPolarHBondContact O-CB 3.3Å; L69-H72 PolarHBondContact O-N 3.3Å; L69-H72 VanDerWaalsContact O-N 3.07Å; W70-H72 PolarHBondContact O-N 3.17Å; W70-H72 VanDerWaalsContact O-N 3.07Å; H72-A74 WeakPolarHBondContact CE1-CB 3.42Å; H72-A74 WeakPolarHBondContact ND1-CB 3.24Å; H72-A74 PolarHBondContact ND1-N 3.37Å; H72-A74 PolarHBondContact O-N 2.87Å; H72-A74 VanDerWaalsContact O-N 3.09Å; H72-L75 HydrophobicContact CB-CB 4.42Å; H72-L75 WeakPolarHBondContact O-CB 3.36Å; H72-L75 PolarHBondContact O-N 3.23Å; H72-Q76 PolarHBondContact O-N 3.38Å; H72-Q76 VanDerWaalsContact O-N 3.14Å
73K80.7Confident74.5Confident174 Ų17477 Ų7776%0.75737%0.368SS*.Hα-helixtrans-52.6-36.7-176.6-170.5174.2-176.6175.50114K71 L75 K77K71-K73 PolarHBondContact O-N 2.82Å; K73-L75 VanDerWaalsContact C-N 3.34Å; K73-K77 VanDerWaalsContact O-CB 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.31Å; K73-K77 PolarHBondContact O-N 2.79Å
74A74.1Confident76.1Confident36 Ų3672.4 Ų72.430%0.29835%0.346SS..Hα-helixtrans-68.7-33.7178.800000112.6H72 Y78H72-A74 WeakPolarHBondContact CE1-CB 3.42Å; H72-A74 WeakPolarHBondContact ND1-CB 3.24Å; H72-A74 PolarHBondContact ND1-N 3.37Å; H72-A74 PolarHBondContact O-N 2.87Å; H72-A74 VanDerWaalsContact O-N 3.09Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.3Å; A74-Y78 PolarHBondContact O-N 3.46Å
75L80.2Confident77.7Confident23 Ų2366.7 Ų66.712%0.1232%0.319CS..Hα-helixtrans-72-46.1177.1179.662.8000110.3I49 L69 H72 K73 K77 Y78 M79I49-L75 HydrophobicContact CD1-CD1 4.16Å; I49-L75 HydrophobicContact CG1-CD1 4.47Å; I49-L75 HydrophobicContact CG2-CD1 4.02Å; L69-L75 HydrophobicContact CD2-CD2 3.51Å; L69-L75 HydrophobicContact CG-CD2 3.88Å; L69-L75 WeakPolarHBondContact O-CD2 3.21Å; H72-L75 HydrophobicContact CB-CB 4.42Å; H72-L75 WeakPolarHBondContact O-CB 3.36Å; H72-L75 PolarHBondContact O-N 3.23Å; K73-L75 VanDerWaalsContact C-N 3.34Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 3.21Å; L75-Y78 HydrophobicContact CD1-CD1 4.5Å; L75-Y78 WeakPolarHBondContact O-CB 3.28Å; L75-Y78 PolarHBondContact O-N 3.3Å; L75-Y78 VanDerWaalsContact O-N 3.16Å; L75-M79 HydrophobicContact CD1-CG 4.35Å; L75-M79 WeakPolarHBondContact O-CG 3.49Å; L75-M79 PolarHBondContact O-N 3.42Å
76Q85.1Confident79.1Confident64 Ų6466.9 Ų66.930%0.29932%0.317SS..Hα-helixtrans-56.1-45.8174-65.7-178-27.800111W70 H72 Y78 M79 E80W70-Q76 HydrophobicContact CZ2-CG 4.42Å; W70-Q76 WeakPolarHBondContact O-CG 3.37Å; W70-Q76 PolarHBondContact O-NE2 3.31Å; H72-Q76 PolarHBondContact O-N 3.38Å; H72-Q76 VanDerWaalsContact O-N 3.14Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Q76-Y78 PolarHBondContact O-N 2.89Å; Q76-M79 PolarHBondContact O-N 2.96Å; Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.45Å
77K85.8Confident80.5Confident95 Ų9567.9 Ų67.941%0.41332%0.315SS..Hα-helixtrans-64.6-37.7178.9-169.160.9-178.5176.90112.7K73 L75 E80 N81K73-K77 VanDerWaalsContact O-CB 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.31Å; K73-K77 PolarHBondContact O-N 2.79Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 3.21Å; K77-E80 VanDerWaalsContact CD-OE2 3.26Å; K77-E80 WeakPolarHBondContact CD-OE2 3.49Å; K77-E80 IonicContact NZ-OE1 3.57Å; K77-E80 IonicContact NZ-OE2 2.77Å; K77-E80 PolarHBondContact NZ-OE2 2.92Å; K77-N81 WeakPolarHBondContact O-CB 3.47Å; K77-N81 PolarHBondContact O-N 2.75Å; K77-N81 PolarHBondContact O-ND2 3.31Å
78Y82.3Confident81.5Confident42 Ų4264.3 Ų64.317%0.16531%0.305CS..Hα-helixtrans-63.1-47.9175.3174.7-104000111.5F42 N45 I49 A74 L75 Q76 N81 L82F42-Y78 HydrophobicContact CD1-CD2 4.4Å; F42-Y78 HydrophobicContact CD1-CE2 4.09Å; N45-Y78 HydrophobicContact CB-CD2 4.45Å; I49-Y78 HydrophobicContact CD1-CD1 3.61Å; I49-Y78 HydrophobicContact CD1-CD2 3.92Å; I49-Y78 HydrophobicContact CD1-CE1 4.27Å; I49-Y78 HydrophobicContact CD1-CG 3.39Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.3Å; A74-Y78 PolarHBondContact O-N 3.46Å; L75-Y78 HydrophobicContact CD1-CD1 4.5Å; L75-Y78 WeakPolarHBondContact O-CB 3.28Å; L75-Y78 PolarHBondContact O-N 3.3Å; L75-Y78 VanDerWaalsContact O-N 3.16Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Q76-Y78 PolarHBondContact O-N 2.89Å; Y78-N81 PolarHBondContact O-N 3.15Å; Y78-L82 HydrophobicContact CD1-CD1 4.03Å; Y78-L82 HydrophobicContact CE1-CD1 3.4Å; Y78-L82 HydrophobicContact CE1-CG 4.2Å; Y78-L82 HydrophobicContact CE2-CD1 4.29Å; Y78-L82 HydrophobicContact CE2-CD2 4.46Å; Y78-L82 HydrophobicContact CE2-CG 4.34Å; Y78-L82 WeakPolarHBondContact O-CG 3.48Å; Y78-L82 PolarHBondContact O-N 3.41Å
79M86Confident82.3Confident22 Ų2258.4 Ų58.411%0.10828%0.276CS..Hα-helixtrans-65-41.7179-65.1-70.3-80.300111.8W70 L75 Q76 N81 L82 S83 Y120W70-M79 HydrophobicContact CZ3-CB 4.4Å; W70-M79 HydrophobicContact CZ3-CG 4.05Å; L75-M79 HydrophobicContact CD1-CG 4.35Å; L75-M79 WeakPolarHBondContact O-CG 3.49Å; L75-M79 PolarHBondContact O-N 3.42Å; Q76-M79 PolarHBondContact O-N 2.96Å; M79-N81 VanDerWaalsContact C-N 3.31Å; M79-N81 PolarHBondContact O-N 3.44Å; M79-L82 PolarHBondContact O-N 2.79Å; M79-S83 PolarHBondContact O-N 3.29Å; M79-Y120 HydrophobicContact CB-CD2 3.45Å; M79-Y120 VanDerWaalsContact CB-CD2 3.45Å; M79-Y120 HydrophobicContact CB-CE2 3.61Å; M79-Y120 HydrophobicContact CB-CG 4.36Å; M79-Y120 HydrophobicContact CE-CD2 4.37Å; M79-Y120 HydrophobicContact CG-CD2 4.41Å
80E87.6Confident83Confident54 Ų5459.9 Ų59.925%0.25228%0.282SS..Hα-helixtrans-56.9-44.8173.1-170.9-161.6164.300111.2Q76 K77 L82 S83 K84Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.45Å; K77-E80 VanDerWaalsContact CD-OE2 3.26Å; K77-E80 WeakPolarHBondContact CD-OE2 3.49Å; K77-E80 IonicContact NZ-OE1 3.57Å; K77-E80 IonicContact NZ-OE2 2.77Å; K77-E80 PolarHBondContact NZ-OE2 2.92Å; E80-L82 PolarHBondContact O-N 3.39Å; E80-S83 PolarHBondContact O-N 3.08Å; E80-K84 WeakPolarHBondContact O-CG 3.38Å; E80-K84 PolarHBondContact O-N 3.4Å; E80-K84 VanDerWaalsContact OE1-CE 3.23Å; E80-K84 WeakPolarHBondContact OE1-CE 3.08Å; E80-K84 IonicContact OE1-NZ 2.64Å; E80-K84 PolarHBondContact OE1-NZ 3.05Å
81N84.6Confident83.4Confident38 Ų3863.8 Ų63.820%0.20330%0.302CS..Hα-helixtrans-65.4-38.4179.2-72-18.5000112.5F42 K77 Y78 M79 K84 E85F42-N81 HydrophobicContact CE1-CB 3.92Å; F42-N81 HydrophobicContact CZ-CB 4.15Å; K77-N81 WeakPolarHBondContact O-CB 3.47Å; K77-N81 PolarHBondContact O-N 2.75Å; K77-N81 PolarHBondContact O-ND2 3.31Å; Y78-N81 PolarHBondContact O-N 3.15Å; M79-N81 VanDerWaalsContact C-N 3.31Å; M79-N81 PolarHBondContact O-N 3.44Å; N81-K84 PolarHBondContact O-N 3.49Å; N81-E85 PolarHBondContact O-N 3.49Å
82L84Confident83.5Confident8 Ų859.1 Ų59.14%0.04229%0.286CS..Hα-helixtrans-67.6-41175.5-70.8-178000111.8F42 Y78 M79 E80 K84 E85 Y86 L113 L116F42-L82 HydrophobicContact CD1-CD2 4.5Å; F42-L82 HydrophobicContact CE1-CD2 4.08Å; Y78-L82 HydrophobicContact CD1-CD1 4.03Å; Y78-L82 HydrophobicContact CE1-CD1 3.4Å; Y78-L82 HydrophobicContact CE1-CG 4.2Å; Y78-L82 HydrophobicContact CE2-CD1 4.29Å; Y78-L82 HydrophobicContact CE2-CD2 4.46Å; Y78-L82 HydrophobicContact CE2-CG 4.34Å; Y78-L82 WeakPolarHBondContact O-CG 3.48Å; Y78-L82 PolarHBondContact O-N 3.41Å; M79-L82 PolarHBondContact O-N 2.79Å; E80-L82 PolarHBondContact O-N 3.39Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.95Å; L82-E85 WeakPolarHBondContact O-CB 3.47Å; L82-E85 PolarHBondContact O-N 3.01Å; L82-Y86 PolarHBondContact O-N 2.98Å; L82-L113 HydrophobicContact CB-CD2 4.46Å; L82-L113 HydrophobicContact CD2-CD2 3.92Å; L82-L116 HydrophobicContact CD1-CD1 4.04Å
83S87.9Confident83.3Confident18 Ų1857.1 Ų57.113%0.12628%0.278CS..Hα-helixtrans-62.3-39.8175.3-170.90000111.5M79 E80 Y86 Q87M79-S83 PolarHBondContact O-N 3.29Å; E80-S83 PolarHBondContact O-N 3.08Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 3Å; S83-Q87 WeakPolarHBondContact O-CG 3.46Å; S83-Q87 PolarHBondContact O-N 3.17Å
84K86.5Confident83.3Confident90 Ų9054.6 Ų54.639%0.39127%0.269SS..Hα-helixtrans-65.3-41.3173.5-72.9177.7-175.2177.70112.3E80 N81 L82 Y86 Q87 T88E80-K84 WeakPolarHBondContact O-CG 3.38Å; E80-K84 PolarHBondContact O-N 3.4Å; E80-K84 VanDerWaalsContact OE1-CE 3.23Å; E80-K84 WeakPolarHBondContact OE1-CE 3.08Å; E80-K84 IonicContact OE1-NZ 2.64Å; E80-K84 PolarHBondContact OE1-NZ 3.05Å; N81-K84 PolarHBondContact O-N 3.49Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.95Å; K84-Y86 VanDerWaalsContact C-N 3.34Å; K84-Q87 PolarHBondContact O-N 3.35Å; K84-T88 VanDerWaalsContact O-CG2 3.32Å; K84-T88 WeakPolarHBondContact O-CG2 3.33Å; K84-T88 PolarHBondContact O-N 3.49Å; K84-T88 PolarHBondContact O-OG1 3.25Å
85E85.3Confident83.1Confident30 Ų3059.8 Ų59.814%0.1429%0.287CS..Hα-helixtrans-57.7-48.9174.2-174-175.2156.100110.5N81 L82 Q87 T88 L89 R109 L113N81-E85 PolarHBondContact O-N 3.49Å; L82-E85 WeakPolarHBondContact O-CB 3.47Å; L82-E85 PolarHBondContact O-N 3.01Å; E85-Q87 PolarHBondContact O-N 2.99Å; E85-T88 WeakPolarHBondContact CA-OG1 3.48Å; E85-T88 PolarHBondContact O-N 3.26Å; E85-T88 PolarHBondContact O-OG1 2.88Å; E85-L89 HydrophobicContact CG-CD1 4.21Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 3.43Å; E85-R109 IonicContact OE1-CZ 3.33Å; E85-R109 IonicContact OE1-NE 3.24Å; E85-R109 PolarHBondContact OE1-NE 2.75Å; E85-R109 IonicContact OE1-NH2 3.51Å; E85-R109 PolarHBondContact OE1-NH2 2.88Å; E85-R109 IonicContact OE2-NH2 3.48Å; E85-L113 HydrophobicContact CB-CD1 4.07Å; E85-L113 HydrophobicContact CG-CD1 3.76Å
86Y85.1Confident82.5Confident57 Ų5763.1 Ų63.122%0.22430%0.304CS..Hα-helixtrans-53.8-52.3176.3178.2-96.7000112.2L82 S83 K84 T88 L89 E90 H110 L113 A114 A117L82-Y86 PolarHBondContact O-N 2.98Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 3Å; K84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-T88 VanDerWaalsContact C-N 3.34Å; Y86-T88 PolarHBondContact O-N 3.46Å; Y86-L89 WeakPolarHBondContact O-CB 3.44Å; Y86-L89 PolarHBondContact O-N 3.37Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; Y86-E90 PolarHBondContact O-N 3.23Å; Y86-H110 AromaticContact CD2-CD2 3.62Å; Y86-H110 AromaticContact CD2-NE2 3.55Å; Y86-H110 AromaticContact CE1-NE2 3.9Å; Y86-H110 AromaticContact CE2-CD2 3.55Å; Y86-H110 AromaticContact CE2-CE1 3.33Å; Y86-H110 WeakPolarHBondContact CE2-CE1 3.4Å; Y86-H110 AromaticContact CE2-ND1 3.88Å; Y86-H110 AromaticContact CE2-NE2 3.08Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.33Å; Y86-H110 AromaticContact CZ-CE1 3.47Å; Y86-H110 VanDerWaalsContact CZ-CE1 3.47Å; Y86-H110 AromaticContact CZ-NE2 3.26Å; Y86-H110 VanDerWaalsContact CZ-NE2 3.26Å; Y86-H110 PolarHBondContact OH-CE1 3.02Å; Y86-L113 HydrophobicContact CD2-CB 3.83Å; Y86-L113 HydrophobicContact CG-CB 4.48Å; Y86-A114 HydrophobicContact CE2-CB 3.86Å; Y86-A117 HydrophobicContact CD1-CB 3.89Å; Y86-A117 HydrophobicContact CD2-CB 4.32Å; Y86-A117 HydrophobicContact CE1-CB 4.28Å; Y86-A117 HydrophobicContact CG-CB 3.93Å
87Q88Confident81.5Confident108 Ų10866.3 Ų66.351%0.50533%0.33SS..Hα-helixtrans-60.8-40.2178.5-70.4172.7-8.100112.8S83 K84 E85 L89 E90 Q91S83-Q87 WeakPolarHBondContact O-CG 3.46Å; S83-Q87 PolarHBondContact O-N 3.17Å; K84-Q87 PolarHBondContact O-N 3.35Å; E85-Q87 PolarHBondContact O-N 2.99Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-E90 PolarHBondContact O-N 2.96Å; Q87-Q91 WeakPolarHBondContact O-CG 3.42Å; Q87-Q91 PolarHBondContact O-N 3.47Å; Q87-Q91 VanDerWaalsContact O-N 3.12Å
88T82.6Confident80.4Confident62 Ų6263.5 Ų63.538%0.3832%0.321SS..Hα-helixtrans-67.3-36.1177.355.30000112.4K84 E85 Y86 Q91 C92K84-T88 VanDerWaalsContact O-CG2 3.32Å; K84-T88 WeakPolarHBondContact O-CG2 3.33Å; K84-T88 PolarHBondContact O-N 3.49Å; K84-T88 PolarHBondContact O-OG1 3.25Å; E85-T88 WeakPolarHBondContact CA-OG1 3.48Å; E85-T88 PolarHBondContact O-N 3.26Å; E85-T88 PolarHBondContact O-OG1 2.88Å; Y86-T88 VanDerWaalsContact C-N 3.34Å; Y86-T88 PolarHBondContact O-N 3.46Å; T88-Q91 PolarHBondContact O-N 3.12Å; T88-C92 WeakPolarHBondContact O-CB 3.46Å; T88-C92 PolarHBondContact O-N 2.92Å; T88-C92 PolarHBondContact O-SG 2.98Å
89L80.7Confident80Confident16 Ų1666.2 Ų66.28%0.08434%0.338CS..Hα-helixtrans-66.5-44.6176.3-72.3175.1000111.2E85 Y86 Q87 Q91 C92 L93 L106 R109 H110 L113E85-L89 HydrophobicContact CG-CD1 4.21Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 3.43Å; Y86-L89 WeakPolarHBondContact O-CB 3.44Å; Y86-L89 PolarHBondContact O-N 3.37Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 3.26Å; L89-C92 PolarHBondContact O-N 3.4Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.36Å; L89-L106 HydrophobicContact CD2-CB 4.36Å; L89-L106 HydrophobicContact CD2-CD2 3.34Å; L89-L106 HydrophobicContact CD2-CG 4.39Å; L89-R109 HydrophobicContact CD1-CB 4.05Å; L89-R109 HydrophobicContact CD1-CG 3.66Å; L89-H110 HydrophobicContact CB-CB 4.46Å; L89-H110 HydrophobicContact CD1-CB 4.47Å; L89-L113 HydrophobicContact CD1-CD1 3.94Å
90E84.4Confident79.4Confident65 Ų6569.1 Ų69.130%0.30435%0.351SS..Hα-helixtrans-54.3-50174.3-174.370.7-119.600110.6Y86 Q87 C92 L93 Q94 H110Y86-E90 PolarHBondContact O-N 3.23Å; Q87-E90 PolarHBondContact O-N 2.96Å; E90-C92 PolarHBondContact O-N 3.22Å; E90-L93 PolarHBondContact O-N 2.9Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.32Å; E90-Q94 PolarHBondContact O-N 2.93Å; E90-Q94 PolarHBondContact OE1-NE2 3.41Å; E90-H110 IonicContact OE2-CE1 2.92Å; E90-H110 PolarHBondContact OE2-CE1 3.01Å; E90-H110 IonicContact OE2-NE2 3.05Å; E90-H110 PolarHBondContact OE2-NE2 3.43Å
91Q81.6Confident78.7Confident116 Ų11673.4 Ų73.454%0.54237%0.372SS..Hα-helixtrans-62-42.7177.8-70.2172.5-0.600112.8Q87 T88 L89 L93 Q94 H95Q87-Q91 WeakPolarHBondContact O-CG 3.42Å; Q87-Q91 PolarHBondContact O-N 3.47Å; Q87-Q91 VanDerWaalsContact O-N 3.12Å; T88-Q91 PolarHBondContact O-N 3.12Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 3.26Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-L93 PolarHBondContact O-N 3.45Å; Q91-Q94 PolarHBondContact O-N 2.73Å; Q91-H95 WeakPolarHBondContact O-CB 3.38Å; Q91-H95 PolarHBondContact O-CD2 2.99Å; Q91-H95 PolarHBondContact O-N 2.87Å
92C79.1Confident78.2Confident43 Ų4375.6 Ų75.629%0.29138%0.383SS..Hα-helixtrans-63.9-38.8177.2-73.30000112.2T88 L89 E90 Q94 I96T88-C92 WeakPolarHBondContact O-CB 3.46Å; T88-C92 PolarHBondContact O-N 2.92Å; T88-C92 PolarHBondContact O-SG 2.98Å; L89-C92 PolarHBondContact O-N 3.4Å; E90-C92 PolarHBondContact O-N 3.22Å; C92-Q94 VanDerWaalsContact C-N 3.34Å; C92-I96 HydrophobicContact CB-CD1 4.25Å; C92-I96 PolarHBondContact O-N 3.15Å
93L78.4Confident77.9Confident38 Ų3880.2 Ų80.220%0.19940%0.4CS..Hα-helixtrans-69.4-32.3177.9-72.9167.4000112.3L89 E90 Q91 R103 L106 N107 H110L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.36Å; E90-L93 PolarHBondContact O-N 2.9Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-L93 PolarHBondContact O-N 3.45Å; L93-R103 HydrophobicContact CD2-CG 4.07Å; L93-L106 HydrophobicContact CD2-CB 3.91Å; L93-L106 HydrophobicContact CG-CB 4.4Å; L93-N107 VanDerWaalsContact CD1-OD1 3.23Å; L93-N107 WeakPolarHBondContact CD1-OD1 3.28Å; L93-N107 VanDerWaalsContact CD2-OD1 3.32Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.23Å; L93-H110 HydrophobicContact CD1-CB 4.03Å
94Q79.8Confident77.7Confident121 Ų12187.2 Ų87.257%0.56542%0.424SS*.Hα-helixtrans-81.7-36.4-180-70.8179.89.400113.9E90 Q91 C92E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.32Å; E90-Q94 PolarHBondContact O-N 2.93Å; E90-Q94 PolarHBondContact OE1-NE2 3.41Å; Q91-Q94 PolarHBondContact O-N 2.73Å; C92-Q94 VanDerWaalsContact C-N 3.34Å
95H70.4Confident77.4Confident146 Ų14686 Ų8668%0.67643%0.427SS*.Hα-helixtrans-114.2-17.3-165.2-66.4-67.2000116.1Q91Q91-H95 WeakPolarHBondContact O-CB 3.38Å; Q91-H95 PolarHBondContact O-CD2 2.99Å; Q91-H95 PolarHBondContact O-N 2.87Å
96I68.1Low77.2Confident93 Ų9386.7 Ų86.748%0.47743%0.431SS..SBendtrans-107.5128.7-172.9-55.9177.4000109.4C92 V98C92-I96 HydrophobicContact CB-CD1 4.25Å; C92-I96 PolarHBondContact O-N 3.15Å; I96-V98 VanDerWaalsContact C-N 3.28Å; I96-V98 HydrophobicContact CB-CG2 3.87Å; I96-V98 HydrophobicContact CG2-CG2 3.72Å; I96-V98 WeakPolarHBondContact O-CG2 3.48Å; I96-V98 PolarHBondContact O-N 3.43Å
97P63.5Low77Confident131 Ų13187.3 Ų87.385%0.85144%0.438SS*.  trans-68.292.3166.727.5-30.9000108.4
98V62.8Low76.9Confident35 Ų3590.6 Ų90.621%0.21245%0.446CS..  trans-94138.2179.8178.90000109I96 E100 N102 R103 L106I96-V98 VanDerWaalsContact C-N 3.28Å; I96-V98 HydrophobicContact CB-CG2 3.87Å; I96-V98 HydrophobicContact CG2-CG2 3.72Å; I96-V98 WeakPolarHBondContact O-CG2 3.48Å; I96-V98 PolarHBondContact O-N 3.43Å; V98-E100 PolarHBondContact O-N 3.41Å; V98-N102 HydrophobicContact CG1-CB 3.29Å; V98-R103 HydrophobicContact CG1-CB 4.39Å; V98-L106 HydrophobicContact CG1-CD1 4.09Å; V98-L106 HydrophobicContact CG2-CD1 4.43Å
99N73.4Confident77.1Confident100 Ų10091.7 Ų91.754%0.53544%0.443SS..  trans-48.5140.1170175.419.1000110.5E101 N102 R103N99-E101 VanDerWaalsContact C-N 3.26Å; N99-E101 PolarHBondContact O-N 3.21Å; N99-E101 VanDerWaalsContact O-N 3.16Å; N99-N102 HydrophobicContact CB-CB 4.43Å; N99-N102 CarbonylContact O-C 3.57Å; N99-N102 WeakPolarHBondContact O-CA 3.21Å; N99-N102 WeakPolarHBondContact O-CB 2.86Å; N99-N102 PolarHBondContact O-N 3.42Å; N99-R103 PolarHBondContact O-N 3.4Å
100E72.9Confident77.3Confident82 Ų8292 Ų9238%0.38344%0.444SS..Hα-helixtrans-56.2-36.4-172.7-168.557.9-162.400113.7V98 R103 R104V98-E100 PolarHBondContact O-N 3.41Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 3.58Å; E100-R103 IonicContact OE1-NE 3.75Å; E100-R103 IonicContact OE1-NH2 2.7Å; E100-R103 PolarHBondContact OE1-NH2 2.76Å; E100-R103 IonicContact OE2-CZ 3.28Å; E100-R103 VanDerWaalsContact OE2-CZ 3.28Å; E100-R103 IonicContact OE2-NE 2.82Å; E100-R103 PolarHBondContact OE2-NE 3.08Å; E100-R103 IonicContact OE2-NH2 2.91Å; E100-R103 PolarHBondContact OE2-NH2 3.18Å; E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-N 3.5Å
101E73.2Confident77.3Confident144 Ų14492 Ų9267%0.67346%0.455SS*.Hα-helixtrans-66.4-44.4174.7-175.7172.1-165.200112.3N99 R103 R104 S105N99-E101 VanDerWaalsContact C-N 3.26Å; N99-E101 PolarHBondContact O-N 3.21Å; N99-E101 VanDerWaalsContact O-N 3.16Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.25Å; E101-R104 PolarHBondContact O-N 3.3Å; E101-S105 PolarHBondContact O-N 3.23Å; E101-S105 VanDerWaalsContact O-N 3.16Å
102N75.1Confident77.4Confident85 Ų8590.4 Ų90.446%0.45545%0.448SS..Hα-helixtrans-66.4-35.1175.4-71.4-20.9000111.1V98 N99 R104 S105 L106V98-N102 HydrophobicContact CG1-CB 3.29Å; N99-N102 HydrophobicContact CB-CB 4.43Å; N99-N102 CarbonylContact O-C 3.57Å; N99-N102 WeakPolarHBondContact O-CA 3.21Å; N99-N102 WeakPolarHBondContact O-CB 2.86Å; N99-N102 PolarHBondContact O-N 3.42Å; N102-R104 VanDerWaalsContact C-N 3.35Å; N102-R104 PolarHBondContact O-N 2.94Å; N102-S105 PolarHBondContact O-N 3.02Å; N102-S105 PolarHBondContact O-OG 3.49Å; N102-L106 WeakPolarHBondContact O-CB 3.36Å; N102-L106 WeakPolarHBondContact O-CG 3.25Å; N102-L106 PolarHBondContact O-N 2.84Å
103R77.8Confident77.7Confident104 Ų10488.6 Ų88.639%0.39244%0.435SS..Hα-helixtrans-64.4-40.8176.9-163.2170.170.694.3-1.8111.2L93 V98 N99 E100 E101 N107L93-R103 HydrophobicContact CD2-CG 4.07Å; V98-R103 HydrophobicContact CG1-CB 4.39Å; N99-R103 PolarHBondContact O-N 3.4Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 3.58Å; E100-R103 IonicContact OE1-NE 3.75Å; E100-R103 IonicContact OE1-NH2 2.7Å; E100-R103 PolarHBondContact OE1-NH2 2.76Å; E100-R103 IonicContact OE2-CZ 3.28Å; E100-R103 VanDerWaalsContact OE2-CZ 3.28Å; E100-R103 IonicContact OE2-NE 2.82Å; E100-R103 PolarHBondContact OE2-NE 3.08Å; E100-R103 IonicContact OE2-NH2 2.91Å; E100-R103 PolarHBondContact OE2-NH2 3.18Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.25Å; R103-N107 VanDerWaalsContact O-CB 3.31Å; R103-N107 WeakPolarHBondContact O-CB 3.25Å; R103-N107 PolarHBondContact O-N 3.47Å; R103-N107 PolarHBondContact O-ND2 3.08Å
104R82.9Confident78.1Confident166 Ų16688.5 Ų88.563%0.62644%0.44SS*.Hα-helixtrans-64.5-42.7175.6-72174.9-173.3-174.31.8112.6E100 E101 N102 R108E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-N 3.5Å; E101-R104 PolarHBondContact O-N 3.3Å; N102-R104 VanDerWaalsContact C-N 3.35Å; N102-R104 PolarHBondContact O-N 2.94Å; R104-R108 PolarHBondContact O-N 3.44Å
105S80.8Confident78.4Confident64 Ų6485.2 Ų85.245%0.44843%0.429SS..Hα-helixtrans-67.8-41.1179.1640000112.1E101 N102 R108 R109E101-S105 PolarHBondContact O-N 3.23Å; E101-S105 VanDerWaalsContact O-N 3.16Å; N102-S105 PolarHBondContact O-N 3.02Å; N102-S105 PolarHBondContact O-OG 3.49Å; S105-R108 PolarHBondContact O-N 2.89Å; S105-R109 PolarHBondContact O-N 3.02Å; S105-R109 VanDerWaalsContact O-N 3.09Å
106L80.1Confident79.1Confident45 Ų4580.2 Ų80.224%0.23641%0.407CS..Hα-helixtrans-64.1-44.8174.3-65.9170.7000111.8L89 L93 V98 N102 R108 R109 H110L89-L106 HydrophobicContact CD2-CB 4.36Å; L89-L106 HydrophobicContact CD2-CD2 3.34Å; L89-L106 HydrophobicContact CD2-CG 4.39Å; L93-L106 HydrophobicContact CD2-CB 3.91Å; L93-L106 HydrophobicContact CG-CB 4.4Å; V98-L106 HydrophobicContact CG1-CD1 4.09Å; V98-L106 HydrophobicContact CG2-CD1 4.43Å; N102-L106 WeakPolarHBondContact O-CB 3.36Å; N102-L106 WeakPolarHBondContact O-CG 3.25Å; N102-L106 PolarHBondContact O-N 2.84Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3Å; L106-R109 PolarHBondContact O-N 2.86Å; L106-H110 WeakPolarHBondContact O-CB 3.4Å; L106-H110 PolarHBondContact O-N 3.25Å
107N82.1Confident80Confident70 Ų7076.5 Ų76.537%0.37439%0.391SS..Hα-helixtrans-59.3-41175.6-86.8-30.4000112.5L93 R103 H110 A111L93-N107 VanDerWaalsContact CD1-OD1 3.23Å; L93-N107 WeakPolarHBondContact CD1-OD1 3.28Å; L93-N107 VanDerWaalsContact CD2-OD1 3.32Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.23Å; R103-N107 VanDerWaalsContact O-CB 3.31Å; R103-N107 WeakPolarHBondContact O-CB 3.25Å; R103-N107 PolarHBondContact O-N 3.47Å; R103-N107 PolarHBondContact O-ND2 3.08Å; N107-H110 PolarHBondContact O-N 3.32Å; N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.39Å
108R85.3Confident81.1Confident177 Ų17772.6 Ų72.667%0.66837%0.369SS*.Hα-helixtrans-61.6-48.4176.3-174-176.7-61.8176.41110.9R104 S105 L106 H110 A111 E112R104-R108 PolarHBondContact O-N 3.44Å; S105-R108 PolarHBondContact O-N 2.89Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3Å; R108-H110 VanDerWaalsContact C-N 3.32Å; R108-H110 PolarHBondContact O-N 2.61Å; R108-A111 PolarHBondContact O-N 3.11Å; R108-E112 WeakPolarHBondContact O-CG 3.38Å; R108-E112 PolarHBondContact O-N 3.09Å
109R86.8Confident82.2Confident84 Ų8473.8 Ų73.832%0.31737%0.374SS..Hα-helixtrans-62.6-40.6178.5-17461.5174.2169.54.6111.9E85 L89 S105 L106 E112 L113E85-R109 IonicContact OE1-CZ 3.33Å; E85-R109 IonicContact OE1-NE 3.24Å; E85-R109 PolarHBondContact OE1-NE 2.75Å; E85-R109 IonicContact OE1-NH2 3.51Å; E85-R109 PolarHBondContact OE1-NH2 2.88Å; E85-R109 IonicContact OE2-NH2 3.48Å; L89-R109 HydrophobicContact CD1-CB 4.05Å; L89-R109 HydrophobicContact CD1-CG 3.66Å; S105-R109 PolarHBondContact O-N 3.02Å; S105-R109 VanDerWaalsContact O-N 3.09Å; L106-R109 PolarHBondContact O-N 2.86Å; R109-E112 IonicContact NH1-OE2 2.79Å; R109-E112 PolarHBondContact NH1-OE2 2.98Å; R109-E112 WeakPolarHBondContact O-CB 3.41Å; R109-E112 PolarHBondContact O-N 3.28Å; R109-L113 HydrophobicContact CG-CD1 4.29Å; R109-L113 WeakPolarHBondContact O-CG 3.32Å; R109-L113 PolarHBondContact O-N 3.47Å
110H84.9Confident82.9Confident23 Ų2370.3 Ų70.311%0.10635%0.353CS..Hα-helixtrans-60.2-45.7176.2-170.4-101.4000111.6Y86 L89 E90 L93 L106 N107 R108 E112 L113 A114Y86-H110 AromaticContact CD2-CD2 3.62Å; Y86-H110 AromaticContact CD2-NE2 3.55Å; Y86-H110 AromaticContact CE1-NE2 3.9Å; Y86-H110 AromaticContact CE2-CD2 3.55Å; Y86-H110 AromaticContact CE2-CE1 3.33Å; Y86-H110 WeakPolarHBondContact CE2-CE1 3.4Å; Y86-H110 AromaticContact CE2-ND1 3.88Å; Y86-H110 AromaticContact CE2-NE2 3.08Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.33Å; Y86-H110 AromaticContact CZ-CE1 3.47Å; Y86-H110 VanDerWaalsContact CZ-CE1 3.47Å; Y86-H110 AromaticContact CZ-NE2 3.26Å; Y86-H110 VanDerWaalsContact CZ-NE2 3.26Å; Y86-H110 PolarHBondContact OH-CE1 3.02Å; L89-H110 HydrophobicContact CB-CB 4.46Å; L89-H110 HydrophobicContact CD1-CB 4.47Å; E90-H110 IonicContact OE2-CE1 2.92Å; E90-H110 PolarHBondContact OE2-CE1 3.01Å; E90-H110 IonicContact OE2-NE2 3.05Å; E90-H110 PolarHBondContact OE2-NE2 3.43Å; L93-H110 HydrophobicContact CD1-CB 4.03Å; L106-H110 WeakPolarHBondContact O-CB 3.4Å; L106-H110 PolarHBondContact O-N 3.25Å; N107-H110 PolarHBondContact O-N 3.32Å; R108-H110 VanDerWaalsContact C-N 3.32Å; R108-H110 PolarHBondContact O-N 2.61Å; H110-E112 PolarHBondContact O-N 3.27Å; H110-L113 PolarHBondContact O-N 3.48Å; H110-A114 PolarHBondContact O-N 3.38Å
111A84.8Confident83.7Confident65 Ų6570.9 Ų70.954%0.53736%0.356SS..Hα-helixtrans-64.3-36175.900000113.2N107 R108 L113 P115N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.39Å; R108-A111 PolarHBondContact O-N 3.11Å; A111-L113 VanDerWaalsContact C-N 3.32Å; A111-P115 WeakPolarHBondContact O-CD 3.43Å
112E84.4Confident84.6Confident83 Ų8369.7 Ų69.739%0.38835%0.35SS..Hα-helixtrans-64.4-36173.6-72.5170.9-169.100112.5R108 R109 H110R108-E112 WeakPolarHBondContact O-CG 3.38Å; R108-E112 PolarHBondContact O-N 3.09Å; R109-E112 IonicContact NH1-OE2 2.79Å; R109-E112 PolarHBondContact NH1-OE2 2.98Å; R109-E112 WeakPolarHBondContact O-CB 3.41Å; R109-E112 PolarHBondContact O-N 3.28Å; H110-E112 PolarHBondContact O-N 3.27Å
113L84Confident85.2Confident5 Ų567.8 Ų67.83%0.02634%0.34CS..Hα-helixtrans-84.5-25.6-177.7-69.3178.3000113.6L82 E85 Y86 L89 R109 H110 A111 L116 A117L82-L113 HydrophobicContact CB-CD2 4.46Å; L82-L113 HydrophobicContact CD2-CD2 3.92Å; E85-L113 HydrophobicContact CB-CD1 4.07Å; E85-L113 HydrophobicContact CG-CD1 3.76Å; Y86-L113 HydrophobicContact CD2-CB 3.83Å; Y86-L113 HydrophobicContact CG-CB 4.48Å; L89-L113 HydrophobicContact CD1-CD1 3.94Å; R109-L113 HydrophobicContact CG-CD1 4.29Å; R109-L113 WeakPolarHBondContact O-CG 3.32Å; R109-L113 PolarHBondContact O-N 3.47Å; H110-L113 PolarHBondContact O-N 3.48Å; A111-L113 VanDerWaalsContact C-N 3.32Å; L113-L116 HydrophobicContact CD2-CD1 4.31Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-A117 PolarHBondContact O-N 2.69Å
114A87.2Confident85.7Confident35 Ų3566.4 Ų66.429%0.28934%0.338SS..Hα-helixtrans-47.1-51.5-179.700000114.7Y86 H110 L116 A117 A118Y86-A114 HydrophobicContact CE2-CB 3.86Å; H110-A114 PolarHBondContact O-N 3.38Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.48Å; A114-A117 PolarHBondContact O-N 3.21Å; A114-A118 PolarHBondContact O-N 2.97Å
115P86Confident86.1Confident52 Ų5263.4 Ų63.434%0.33833%0.331SS..Hα-helixtrans-66.2-30.3179.126.1-35.2000113A111 I119A111-P115 WeakPolarHBondContact O-CD 3.43Å; P115-I119 VanDerWaalsContact O-CG1 3.31Å; P115-I119 WeakPolarHBondContact O-CG1 3.31Å; P115-I119 PolarHBondContact O-N 3.47Å; P115-I119 VanDerWaalsContact O-N 3.13Å
116L85.6Confident86.6Confident41 Ų4164.3 Ų64.322%0.21533%0.334CS..Hα-helixtrans-72.8-39.3177.7-67172.6000111.5L9 L82 L113 A114 I119 Y120L9-L116 HydrophobicContact CD2-CD2 3.78Å; L82-L116 HydrophobicContact CD1-CD1 4.04Å; L113-L116 HydrophobicContact CD2-CD1 4.31Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 2.97Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.48Å; L116-I119 PolarHBondContact O-N 3.29Å; L116-Y120 WeakPolarHBondContact O-CB 3.14Å; L116-Y120 PolarHBondContact O-N 2.94Å
117A87.1Confident87Confident16 Ų1665.9 Ų65.913%0.13234%0.34CS..Hα-helixtrans-63.5-42.2174.300000111.3Y86 L113 A114 Y120 Q121Y86-A117 HydrophobicContact CD1-CB 3.89Å; Y86-A117 HydrophobicContact CD2-CB 4.32Å; Y86-A117 HydrophobicContact CE1-CB 4.28Å; Y86-A117 HydrophobicContact CG-CB 3.93Å; L113-A117 PolarHBondContact O-N 2.69Å; A114-A117 PolarHBondContact O-N 3.21Å; A117-Y120 PolarHBondContact O-N 3.14Å; A117-Q121 WeakPolarHBondContact O-CB 3.17Å; A117-Q121 PolarHBondContact O-N 3.3Å
118A85.9Confident87.5Confident49 Ų4967.9 Ų67.941%0.40535%0.347SS..Hα-helixtrans-60.1-49175.600000112.2A114 Y120 Q121 E122A114-A118 PolarHBondContact O-N 2.97Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 3.16Å; A118-Q121 WeakPolarHBondContact O-CB 3.4Å; A118-Q121 PolarHBondContact O-N 3.25Å; A118-E122 WeakPolarHBondContact O-CG 3.42Å; A118-E122 PolarHBondContact O-N 3.43Å
119I86.6Confident87.8Confident60 Ų6061.7 Ų61.731%0.30833%0.333SS..Hα-helixtrans-61.6-40.8176.8-68.1165.7000111.1P115 L116 Q121 E122 I123P115-I119 VanDerWaalsContact O-CG1 3.31Å; P115-I119 WeakPolarHBondContact O-CG1 3.31Å; P115-I119 PolarHBondContact O-N 3.47Å; P115-I119 VanDerWaalsContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 3.29Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-Q121 PolarHBondContact O-N 3.07Å; I119-E122 PolarHBondContact O-N 3.07Å; I119-I123 HydrophobicContact CG2-CD1 3.91Å; I119-I123 HydrophobicContact CG2-CG1 4.48Å; I119-I123 VanDerWaalsContact O-CG1 3.28Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-I123 VanDerWaalsContact O-N 3.08Å
120Y88.2Confident87.9Confident27 Ų2760.9 Ų60.911%0.10634%0.335CS..Hα-helixtrans-60.3-45.7178.2-175.1-113.6000111.4W70 M79 L116 A117 A118 I123 Q124W70-Y120 AromaticContact CH2-CD2 3.59Å; W70-Y120 HydrophobicContact CH2-CD2 3.59Å; W70-Y120 AromaticContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CZ2-CE2 4.24Å; W70-Y120 HydrophobicContact CZ3-CD2 4.34Å; M79-Y120 HydrophobicContact CB-CD2 3.45Å; M79-Y120 VanDerWaalsContact CB-CD2 3.45Å; M79-Y120 HydrophobicContact CB-CE2 3.61Å; M79-Y120 HydrophobicContact CB-CG 4.36Å; M79-Y120 HydrophobicContact CE-CD2 4.37Å; M79-Y120 HydrophobicContact CG-CD2 4.41Å; L116-Y120 WeakPolarHBondContact O-CB 3.14Å; L116-Y120 PolarHBondContact O-N 2.94Å; A117-Y120 PolarHBondContact O-N 3.14Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 3.16Å; Y120-I123 PolarHBondContact O-N 3.42Å; Y120-Q124 HydrophobicContact CE1-CG 4.28Å; Y120-Q124 WeakPolarHBondContact O-CG 3.4Å; Y120-Q124 PolarHBondContact O-N 2.91Å; Y120-Q124 VanDerWaalsContact O-N 3.09Å
121Q89.8Confident88.2Confident93 Ų9366.5 Ų66.544%0.43536%0.361SS..Hα-helixtrans-60.2-47.5176.7-177.464.229.200111.8A117 A118 I119 I123 Q124 E125A117-Q121 WeakPolarHBondContact O-CB 3.17Å; A117-Q121 PolarHBondContact O-N 3.3Å; A118-Q121 WeakPolarHBondContact O-CB 3.4Å; A118-Q121 PolarHBondContact O-N 3.25Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-Q121 PolarHBondContact O-N 3.07Å; Q121-I123 VanDerWaalsContact C-N 3.25Å; Q121-I123 PolarHBondContact O-N 2.97Å; Q121-Q124 PolarHBondContact O-N 3.09Å; Q121-Q124 VanDerWaalsContact O-N 3.11Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.45Å; Q121-E125 PolarHBondContact NE2-OE1 3.34Å; Q121-E125 WeakPolarHBondContact O-CG 3.44Å; Q121-E125 PolarHBondContact O-N 3.02Å
122E90.9Very high88.6Confident119 Ų11968.3 Ų68.356%0.55636%0.358SS*.Hα-helixtrans-57.6-38.8177.1-73.3175.2-16200112.2A118 I119 T126A118-E122 WeakPolarHBondContact O-CG 3.42Å; A118-E122 PolarHBondContact O-N 3.43Å; I119-E122 PolarHBondContact O-N 3.07Å; E122-T126 WeakPolarHBondContact O-CB 3.28Å; E122-T126 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-OG1 3.06Å
123I87.4Confident88.9Confident46 Ų4669.4 Ų69.424%0.23637%0.366CS..Hα-helixtrans-66.3-44.5177.1-65164.3000110.6W70 I119 Y120 Q121 E125 T126 E127W70-I123 HydrophobicContact CD2-CD1 4.45Å; W70-I123 HydrophobicContact CD2-CG2 3.87Å; W70-I123 HydrophobicContact CE3-CD1 3.93Å; W70-I123 HydrophobicContact CE3-CG2 4.36Å; W70-I123 HydrophobicContact CG-CG2 4.43Å; W70-I123 HydrophobicContact CH2-CB 4.21Å; W70-I123 HydrophobicContact CH2-CD1 3.95Å; W70-I123 HydrophobicContact CH2-CG2 3.77Å; W70-I123 HydrophobicContact CZ2-CB 4.15Å; W70-I123 HydrophobicContact CZ2-CG2 3.28Å; W70-I123 HydrophobicContact CZ3-CD1 3.64Å; W70-I123 HydrophobicContact CZ3-CG2 4.3Å; I119-I123 HydrophobicContact CG2-CD1 3.91Å; I119-I123 HydrophobicContact CG2-CG1 4.48Å; I119-I123 VanDerWaalsContact O-CG1 3.28Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-I123 VanDerWaalsContact O-N 3.08Å; Y120-I123 PolarHBondContact O-N 3.42Å; Q121-I123 VanDerWaalsContact C-N 3.25Å; Q121-I123 PolarHBondContact O-N 2.97Å; I123-E125 PolarHBondContact O-N 3.27Å; I123-T126 PolarHBondContact O-N 3.29Å; I123-E127 HydrophobicContact CG2-CG 4.37Å; I123-E127 WeakPolarHBondContact O-CG 3.32Å; I123-E127 PolarHBondContact O-N 3.34Å
124Q89.9Confident89.1Confident74 Ų7474.1 Ų74.135%0.34639%0.388SS..Hα-helixtrans-61.2-44.4178.8-68.5-175.6-68.600111.8Y120 Q121 T126 E127 Q128Y120-Q124 HydrophobicContact CE1-CG 4.28Å; Y120-Q124 WeakPolarHBondContact O-CG 3.4Å; Y120-Q124 PolarHBondContact O-N 2.91Å; Y120-Q124 VanDerWaalsContact O-N 3.09Å; Q121-Q124 PolarHBondContact O-N 3.09Å; Q121-Q124 VanDerWaalsContact O-N 3.11Å; Q124-T126 VanDerWaalsContact C-N 3.32Å; Q124-T126 PolarHBondContact O-N 3.29Å; Q124-E127 PolarHBondContact O-N 3.45Å; Q124-Q128 PolarHBondContact O-N 3.42Å
125E91.6Very high89.3Confident104 Ų10474.2 Ų74.249%0.48639%0.387SS..Hα-helixtrans-61.8-41.4176.5-71171.4-17200111.6Q121 I123 Q128 A129Q121-E125 WeakPolarHBondContact CG-OE1 3.45Å; Q121-E125 PolarHBondContact NE2-OE1 3.34Å; Q121-E125 WeakPolarHBondContact O-CG 3.44Å; Q121-E125 PolarHBondContact O-N 3.02Å; I123-E125 PolarHBondContact O-N 3.27Å; E125-Q128 PolarHBondContact O-N 2.97Å; E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.01Å
126T89.4Confident89.3Confident82 Ų8276.4 Ų76.450%0.50339%0.394SS..Hα-helixtrans-65.7-40.8176.7-55.70000111.8E122 I123 Q124 A129 I130E122-T126 WeakPolarHBondContact O-CB 3.28Å; E122-T126 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-OG1 3.06Å; I123-T126 PolarHBondContact O-N 3.29Å; Q124-T126 VanDerWaalsContact C-N 3.32Å; Q124-T126 PolarHBondContact O-N 3.29Å; T126-A129 PolarHBondContact O-N 3.28Å; T126-I130 HydrophobicContact CG2-CD1 4.15Å; T126-I130 VanDerWaalsContact O-CG1 3.28Å; T126-I130 WeakPolarHBondContact O-CG1 3.23Å; T126-I130 PolarHBondContact O-N 3.45Å
127E88.8Confident89.1Confident79 Ų7978.2 Ų78.237%0.36941%0.409SS..Hα-helixtrans-63.1-44.3176.3-75.3-172.5135.800111.6W70 I123 Q124 I130 E131W70-E127 VanDerWaalsContact CD1-OE1 3.27Å; W70-E127 PolarHBondContact NE1-OE1 2.93Å; W70-E127 PolarHBondContact NE1-OE2 3.5Å; I123-E127 HydrophobicContact CG2-CG 4.37Å; I123-E127 WeakPolarHBondContact O-CG 3.32Å; I123-E127 PolarHBondContact O-N 3.34Å; Q124-E127 PolarHBondContact O-N 3.45Å; E127-I130 PolarHBondContact O-N 2.77Å; E127-E131 PolarHBondContact O-N 2.96Å
128Q92.6Very high88.9Confident112 Ų11283.8 Ų83.852%0.52343%0.43SS..Hα-helixtrans-61.9-45.6176.5-176.1-180-17.800111.5Q124 E125 I130 E131 E132Q124-Q128 PolarHBondContact O-N 3.42Å; E125-Q128 PolarHBondContact O-N 2.97Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 2.64Å; Q128-E131 PolarHBondContact O-N 3.32Å; Q128-E131 VanDerWaalsContact O-N 3.13Å; Q128-E132 PolarHBondContact NE2-OE1 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.5Å; Q128-E132 PolarHBondContact O-N 2.92Å
129A92.4Very high88.5Confident46 Ų4688.8 Ų88.838%0.3844%0.439SS..Hα-helixtrans-60.4-38177.800000112.3E125 T126 L133E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.01Å; T126-A129 PolarHBondContact O-N 3.28Å; A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 VanDerWaalsContact O-CG 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.39Å; A129-L133 PolarHBondContact O-N 3.13Å; A129-L133 VanDerWaalsContact O-N 3.08Å
130I88.2Confident87.7Confident68 Ų6890 Ų9035%0.34945%0.445SS..Hα-helixtrans-64.5-46174.3-69.7165.6000110.7T126 E127 Q128 E132 L133 E134T126-I130 HydrophobicContact CG2-CD1 4.15Å; T126-I130 VanDerWaalsContact O-CG1 3.28Å; T126-I130 WeakPolarHBondContact O-CG1 3.23Å; T126-I130 PolarHBondContact O-N 3.45Å; E127-I130 PolarHBondContact O-N 2.77Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 2.64Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 3.46Å; I130-E134 HydrophobicContact CG2-CG 4.35Å; I130-E134 WeakPolarHBondContact O-CB 3.5Å; I130-E134 WeakPolarHBondContact O-CG 3.46Å; I130-E134 PolarHBondContact O-N 2.92Å
131E91.4Very high86.4Confident140 Ų14097.6 Ų97.665%0.65447%0.474SS*.Hα-helixtrans-61.9-41.5179.5-175.5173.4-172.800112.1E127 Q128 E134 S135E127-E131 PolarHBondContact O-N 2.96Å; Q128-E131 PolarHBondContact O-N 3.32Å; Q128-E131 VanDerWaalsContact O-N 3.13Å; E131-E134 PolarHBondContact O-N 3.36Å; E131-S135 WeakPolarHBondContact O-CB 3.37Å; E131-S135 PolarHBondContact O-N 2.94Å
132E93.1Very high84.9Confident103 Ų10398.2 Ų98.248%0.48148%0.484SS..Hα-helixtrans-61.4-47.1175.5-73.5176.4-168.200111.6Q128 I130 S135 M136Q128-E132 PolarHBondContact NE2-OE1 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.5Å; Q128-E132 PolarHBondContact O-N 2.92Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.08Å; E132-S135 WeakPolarHBondContact O-CB 3.27Å; E132-S135 PolarHBondContact O-N 2.9Å; E132-M136 WeakPolarHBondContact O-CG 3.28Å; E132-M136 PolarHBondContact O-N 3.25Å
133L91.5Very high83.2Confident106 Ų10699.2 Ų99.256%0.55549%0.492SS*.Hα-helixtrans-62.2-44.4176.5-73172.2000112.1A129 I130 S135 M136 C137A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 VanDerWaalsContact O-CG 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.39Å; A129-L133 PolarHBondContact O-N 3.13Å; A129-L133 VanDerWaalsContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 3.46Å; L133-S135 VanDerWaalsContact C-N 3.27Å; L133-S135 PolarHBondContact O-N 2.9Å; L133-M136 PolarHBondContact O-N 2.94Å; L133-C137 PolarHBondContact O-N 3.05Å; L133-C137 PolarHBondContact O-SG 3.06Å; L133-C137 VanDerWaalsContact O-SG 3.36Å
134E88.1Confident81.6Confident105 Ų105104 Ų10449%0.49152%0.518SS..Hα-helixtrans-61.6-38176.2-75.2-175.2-177.600111.8I130 E131 K138I130-E134 HydrophobicContact CG2-CG 4.35Å; I130-E134 WeakPolarHBondContact O-CB 3.5Å; I130-E134 WeakPolarHBondContact O-CG 3.46Å; I130-E134 PolarHBondContact O-N 2.92Å; E131-E134 PolarHBondContact O-N 3.36Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.32Å; E134-K138 PolarHBondContact O-N 3.39Å
135S90.9Very high79.8Confident37 Ų37105 Ų10526%0.25953%0.532SS..Hα-helixtrans-65.3-43.8175.7-170.70000111.8E131 E132 L133 K138 R139E131-S135 WeakPolarHBondContact O-CB 3.37Å; E131-S135 PolarHBondContact O-N 2.94Å; E132-S135 WeakPolarHBondContact O-CB 3.27Å; E132-S135 PolarHBondContact O-N 2.9Å; L133-S135 VanDerWaalsContact C-N 3.27Å; L133-S135 PolarHBondContact O-N 2.9Å; S135-K138 PolarHBondContact O-N 2.93Å; S135-R139 WeakPolarHBondContact O-CG 3.39Å; S135-R139 PolarHBondContact O-N 3.04Å; S135-R139 VanDerWaalsContact OG-CZ 3.31Å; S135-R139 PolarHBondContact OG-NH2 2.97Å; S135-R139 VanDerWaalsContact OG-NH2 3.14Å
136M86.3Confident77.6Confident98 Ų98101.8 Ų101.848%0.48353%0.526SS..Hα-helixtrans-59.8-50.2174.1-70172.963.500111.6E132 L133 K138 R139 D140E132-M136 WeakPolarHBondContact O-CG 3.28Å; E132-M136 PolarHBondContact O-N 3.25Å; L133-M136 PolarHBondContact O-N 2.94Å; M136-K138 VanDerWaalsContact C-N 3.26Å; M136-K138 PolarHBondContact O-N 3.26Å; M136-R139 WeakPolarHBondContact O-CB 3.39Å; M136-R139 PolarHBondContact O-N 3.23Å; M136-D140 PolarHBondContact O-N 3.32Å
137C81.7Confident75.7Confident78 Ų78105 Ų10553%0.52755%0.549SS..Hα-helixtrans-60.3-34.5178.4-67.90000113L133 R141L133-C137 PolarHBondContact O-N 3.05Å; L133-C137 PolarHBondContact O-SG 3.06Å; L133-C137 VanDerWaalsContact O-SG 3.36Å; C137-R141 VanDerWaalsContact O-CB 3.3Å; C137-R141 WeakPolarHBondContact O-CB 3.3Å; C137-R141 PolarHBondContact O-N 3.01Å
138K81.7Confident73.8Confident134 Ų134104.2 Ų104.258%0.58356%0.562SS**Hα-helixtrans-65.9-43.4173.8-75.4167.6-173.4165.30111.3E134 S135 M136 R141 V142E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.32Å; E134-K138 PolarHBondContact O-N 3.39Å; S135-K138 PolarHBondContact O-N 2.93Å; M136-K138 VanDerWaalsContact C-N 3.26Å; M136-K138 PolarHBondContact O-N 3.26Å; K138-R141 PolarHBondContact O-N 3.01Å; K138-V142 VanDerWaalsContact O-CG2 3.3Å; K138-V142 WeakPolarHBondContact O-CG2 3.34Å; K138-V142 PolarHBondContact O-N 3.42Å
139R77.8Confident71.5Confident154 Ų154110.4 Ų110.458%0.58158%0.581SS**Hα-helixtrans-63.6-45177.1-67.4170.7-169.2146.6-0.1111.5S135 M136 R141 V142 L143S135-R139 WeakPolarHBondContact O-CG 3.39Å; S135-R139 PolarHBondContact O-N 3.04Å; S135-R139 VanDerWaalsContact OG-CZ 3.31Å; S135-R139 PolarHBondContact OG-NH2 2.97Å; S135-R139 VanDerWaalsContact OG-NH2 3.14Å; M136-R139 WeakPolarHBondContact O-CB 3.39Å; M136-R139 PolarHBondContact O-N 3.23Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.88Å; R139-V142 PolarHBondContact O-N 3.24Å; R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3.46Å
140D69.4Low69.1Low84 Ų84115.5 Ų115.545%0.44960%0.601SS.*Hα-helixtrans-64.3-38.7177.8-67.7-18.2000111.9M136 V142 L143 L144M136-D140 PolarHBondContact O-N 3.32Å; D140-V142 VanDerWaalsContact C-N 3.33Å; D140-V142 PolarHBondContact O-N 3.18Å; D140-L143 PolarHBondContact O-N 3.44Å; D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 VanDerWaalsContact O-CG 3.32Å; D140-L144 WeakPolarHBondContact O-CG 3.3Å; D140-L144 PolarHBondContact O-N 3.14Å
141R60.8Low67Low187 Ų187116.6 Ų116.671%0.70662%0.62SS**Hα-helixtrans-65.1-35.7174.9-166.4-177.3-66.5-158.9-1.2112.3C137 K138 R139 C145C137-R141 VanDerWaalsContact O-CB 3.3Å; C137-R141 WeakPolarHBondContact O-CB 3.3Å; C137-R141 PolarHBondContact O-N 3.01Å; K138-R141 PolarHBondContact O-N 3.01Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.88Å; R141-C145 WeakPolarHBondContact O-CB 3.34Å; R141-C145 PolarHBondContact O-N 3.07Å
142V59.1Low64.6Low107 Ų107116.6 Ų116.665%0.64863%0.63SS**Hα-helixtrans-70.5-34.2174.6171.20000111.4K138 R139 D140 C145K138-V142 VanDerWaalsContact O-CG2 3.3Å; K138-V142 WeakPolarHBondContact O-CG2 3.34Å; K138-V142 PolarHBondContact O-N 3.42Å; R139-V142 PolarHBondContact O-N 3.24Å; D140-V142 VanDerWaalsContact C-N 3.33Å; D140-V142 PolarHBondContact O-N 3.18Å; V142-C145 CarbonylContact O-C 3.48Å
143L56.2Low62.2Low140 Ų140121 Ų12173%0.73366%0.664SS**Hα-helixtrans-73.3-35.6175.8-70.3169.4000112.8R139 D140R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3.46Å; D140-L143 PolarHBondContact O-N 3.44Å
144L52.9Low60.8Low146 Ų146121.8 Ų121.876%0.76467%0.669SS**Hα-helixtrans-78.6-26.7177.2-69.3168.8000112.9D140D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 VanDerWaalsContact O-CG 3.32Å; D140-L144 WeakPolarHBondContact O-CG 3.3Å; D140-L144 PolarHBondContact O-N 3.14Å
145C51Low59.3Low96 Ų96122.7 Ų122.765%0.64968%0.678SS**SBendtrans-10961.1174.5-63.10000111R141 V142R141-C145 WeakPolarHBondContact O-CB 3.34Å; R141-C145 PolarHBondContact O-N 3.07Å; V142-C145 CarbonylContact O-C 3.48Å
146G45.7Very low57.6Low35 Ų35127.4 Ų127.436%0.36170%0.702SS.*  trans-61.8156172.800000112.8G148G146-G148 VanDerWaalsContact C-N 3.31Å; G146-G148 PolarHBondContact O-N 2.94Å
147P50.4Low55.9Low150 Ų150129.2 Ų129.297%0.97472%0.715SS**THydrogen-bonded Turntrans-72.684.1178.830.9-32.6000109.5
148G49.4Very low54.3Low63 Ų63132.4 Ų132.465%0.64973%0.726SS**THydrogen-bonded Turntrans-173.79.4-173.900000117.5G146G146-G148 VanDerWaalsContact C-N 3.31Å; G146-G148 PolarHBondContact O-N 2.94Å
149W43.6Very low52.4Low242 Ų242132.3 Ų132.392%0.91774%0.736SS**  trans-105.586.2167.8-68.876.7000108.3A151W149-A151 PolarHBondContact O-N 3.07Å; W149-A151 VanDerWaalsContact O-N 3.07Å
150N42.3Very low50.6Low152 Ų152130.7 Ų130.781%0.81375%0.747SS**  trans-58.5109.8161.1-75-27.5000107V152N150-V152 VanDerWaalsContact C-N 3.28Å; N150-V152 PolarHBondContact O-N 2.85Å
151A42.7Very low49.2Very low91 Ų91134.3 Ų134.375%0.75277%0.77SS**  trans-63.697.3160.800000107W149 V153W149-A151 PolarHBondContact O-N 3.07Å; W149-A151 VanDerWaalsContact O-N 3.07Å; A151-V153 PolarHBondContact O-N 3.32Å
152V41.2Very low48.2Very low140 Ų140129.9 Ų129.985%0.84878%0.775SS**  trans-76.5101.7157.6179.60000105.1N150N150-V152 VanDerWaalsContact C-N 3.28Å; N150-V152 PolarHBondContact O-N 2.85Å
153V44Very low47.2Very low197 Ų197132 Ų132100%1.19479%0.787SS**  trans-1010158.91770000107.1A151A151-V153 PolarHBondContact O-N 3.32Å

Retrieved 153 of 153 residues in 119.8 ms (Link to these results)