A0A087XPD9_POEFO Loading...

Rhomboid domain containing 3

AlphaFold DB , UniProt , Accession A0A087XPD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 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
1M40.1Very low47.8Very low216 Ų216114.7 Ų114.7100%1.06459%0.587SS**  0-30.50-78.7-162.4166.300113.3D3 R4M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.91Å; M1-R4 PolarHBondContact O-N 3.44Å
2L37Very low48.8Very low138 Ų138106.4 Ų106.472%0.72354%0.544SS*.Hα-helixtrans-60-32.3173.6-84.6146.9000114.3R4 V5 L6L2-R4 VanDerWaalsContact C-N 3.3Å; L2-R4 PolarHBondContact O-N 3.23Å; L2-V5 PolarHBondContact O-N 3.07Å; L2-L6 PolarHBondContact O-N 3.48Å
3D36Very low49.3Very low128 Ų128100.5 Ų100.568%0.68453%0.526SS*.Hα-helixtrans-65-28.3178.9-63.6-37.4000114.5M1 S7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.91Å; D3-S7 PolarHBondContact O-N 2.91Å
4R45.5Very low50.3Low217 Ų21796.4 Ų96.482%0.81951%0.509SS*.Hα-helixtrans-76.3-34.1175.8-83.5-174.2177.9-177.7-0.4112.4M1 L2 L6 S7M1-R4 PolarHBondContact O-N 3.44Å; L2-R4 VanDerWaalsContact C-N 3.3Å; L2-R4 PolarHBondContact O-N 3.23Å; R4-L6 VanDerWaalsContact C-N 3.32Å; R4-S7 WeakPolarHBondContact O-CB 3.26Å; R4-S7 PolarHBondContact O-N 3.39Å
5V45.8Very low51Low73 Ų73101.5 Ų101.544%0.44254%0.537SS..Hα-helixtrans-68-37.2174.1174.50000110.4L2 S7 V8 R9 L78L2-V5 PolarHBondContact O-N 3.07Å; V5-S7 VanDerWaalsContact C-N 3.28Å; V5-S7 PolarHBondContact O-N 3.25Å; V5-V8 PolarHBondContact O-N 2.92Å; V5-R9 PolarHBondContact O-N 3.35Å; V5-L78 HydrophobicContact CG1-CD2 3.56Å
6L46.3Very low51.9Low95 Ų9596.1 Ų96.150%0.49751%0.507SS..Hα-helixtrans-62.3-32.3171.4-77.5158.1000112.7L2 R4 R9 S10L2-L6 PolarHBondContact O-N 3.48Å; R4-L6 VanDerWaalsContact C-N 3.32Å; L6-R9 PolarHBondContact O-N 2.96Å; L6-S10 WeakPolarHBondContact O-CB 3.39Å; L6-S10 PolarHBondContact O-N 3.09Å
7S51.5Low52.5Low68 Ų6896.8 Ų96.848%0.47652%0.522SS..Hα-helixtrans-65.8-42.7178.4-175.30000113.3D3 R4 V5 S10 L11D3-S7 PolarHBondContact O-N 2.91Å; R4-S7 WeakPolarHBondContact O-CB 3.26Å; R4-S7 PolarHBondContact O-N 3.39Å; V5-S7 VanDerWaalsContact C-N 3.28Å; V5-S7 PolarHBondContact O-N 3.25Å; S7-S10 PolarHBondContact O-N 2.82Å; S7-L11 WeakPolarHBondContact O-CB 3.32Å; S7-L11 PolarHBondContact O-N 3.37Å
8V53.1Low53.3Low63 Ų6393.1 Ų93.138%0.38251%0.509SS..Hα-helixtrans-66.7-42.2177.6179.70000110.8V5 S10 L11 F12V5-V8 PolarHBondContact O-N 2.92Å; V8-S10 VanDerWaalsContact C-N 3.31Å; V8-S10 PolarHBondContact O-N 2.99Å; V8-L11 PolarHBondContact O-N 2.86Å; V8-F12 HydrophobicContact CG1-CD2 4.21Å; V8-F12 PolarHBondContact O-N 3.46Å; V8-F12 VanDerWaalsContact O-N 3.15Å
9R57.9Low54.6Low119 Ų11993.6 Ų93.645%0.44951%0.507SS..Hα-helixtrans-64.4-35.4175.9-161.9177.9-167.8173.46.1112.1V5 L6 G13 R85V5-R9 PolarHBondContact O-N 3.35Å; L6-R9 PolarHBondContact O-N 2.96Å; R9-G13 WeakPolarHBondContact O-CA 3.23Å; R9-G13 PolarHBondContact O-N 3.34Å; R9-R85 VanDerWaalsContact NH2-CZ 3.28Å
10S54Low56.1Low95 Ų9589.3 Ų89.366%0.66448%0.483SS*.Hα-helixtrans-73.4-35174.9174.70000112.7L6 S7 V8L6-S10 WeakPolarHBondContact O-CB 3.39Å; L6-S10 PolarHBondContact O-N 3.09Å; S7-S10 PolarHBondContact O-N 2.82Å; V8-S10 VanDerWaalsContact C-N 3.31Å; V8-S10 PolarHBondContact O-N 2.99Å
11L58.3Low57.7Low50 Ų5087.2 Ų87.226%0.26247%0.472SS..Hα-helixtrans-73.9-35-176.2-147.498.4000112.8S7 V8 R142 L144S7-L11 WeakPolarHBondContact O-CB 3.32Å; S7-L11 PolarHBondContact O-N 3.37Å; V8-L11 PolarHBondContact O-N 2.86Å; L11-R142 PolarHBondContact O-NH1 2.92Å; L11-L144 HydrophobicContact CD2-CD1 3.2Å; L11-L144 HydrophobicContact CD2-CG 3.57Å
12F59.8Low60Low15 Ų1577.7 Ų77.77%0.06643%0.426CS..Hα-helixtrans-121.1-11.4-171.4-70.2-72.2000114.9V8 Q135 A139 L144 V150V8-F12 HydrophobicContact CG1-CD2 4.21Å; V8-F12 PolarHBondContact O-N 3.46Å; V8-F12 VanDerWaalsContact O-N 3.15Å; F12-Q135 HydrophobicContact CD1-CG 3.97Å; F12-Q135 HydrophobicContact CE1-CG 4.49Å; F12-A139 HydrophobicContact CE1-CB 4.09Å; F12-L144 HydrophobicContact CE2-CD1 4.16Å; F12-L144 HydrophobicContact CZ-CD1 4.17Å; F12-V150 HydrophobicContact CE1-CG1 3.91Å; F12-V150 HydrophobicContact CZ-CG1 3.82Å
13G55.1Low62.6Low30 Ų3071.1 Ų71.131%0.30939%0.391SS..  trans-76.1155.2-179.400000112.6R9R9-G13 WeakPolarHBondContact O-CA 3.23Å; R9-G13 PolarHBondContact O-N 3.34Å
14S63.4Low65.3Low42 Ų4269.1 Ų69.129%0.29438%0.377SS..  trans-114.8146170.1-176.50000108.1R16S14-R16 PolarHBondContact O-N 3.42Å
15D61.1Low67.6Low173 Ų17361.4 Ų61.493%0.92536%0.36SS*.  trans-72.417.8-179.5-65.8-34.9000113.8S17D15-S17 PolarHBondContact O-N 3.38Å
16R65.6Low69.8Low16 Ų1659 Ų596%0.0634%0.344CS..  trans-63.2126.7177.4-64.7-164.3-176.3169.3-21.9110.5S14 R85 R86 V209 T211 A213 R214S14-R16 PolarHBondContact O-N 3.42Å; R16-R85 WeakPolarHBondContact CD-O 3.35Å; R16-R86 PolarHBondContact NH1-O 2.82Å; R16-V209 HydrophobicContact CB-CG1 3.85Å; R16-T211 PolarHBondContact NH2-O 3.42Å; R16-T211 VanDerWaalsContact NH2-O 3.12Å; R16-A213 HydrophobicContact CG-CB 4.44Å; R16-R214 VanDerWaalsContact NH2-CB 3.29Å
17S61.8Low72.1Confident108 Ų10855 Ų5576%0.75532%0.323SS*.  trans-73.1147.3167.151.90000110D15D15-S17 PolarHBondContact O-N 3.38Å
18G67.3Low74.1Confident29 Ų2954.6 Ų54.630%0.29932%0.324SS..SBendtrans138.8153-179.700000112.8
19F77.4Confident76Confident104 Ų10455.2 Ų55.246%0.45632%0.321SS..  trans-81.2135.4175.1-174.2-105.4000110.1L21 F24F19-L21 HydrophobicContact CD1-CB 4.07Å; F19-L21 HydrophobicContact CD1-CD1 4.24Å; F19-L21 HydrophobicContact CE1-CD1 4.39Å; F19-L21 PolarHBondContact O-N 2.98Å; F19-F24 HydrophobicContact CD1-CD2 4.26Å; F19-F24 HydrophobicContact CD2-CD2 4.44Å; F19-F24 HydrophobicContact CD2-CE2 4.22Å; F19-F24 HydrophobicContact CE1-CB 4.24Å; F19-F24 AromaticContact CE1-CD2 3.47Å; F19-F24 HydrophobicContact CE1-CD2 3.47Å; F19-F24 VanDerWaalsContact CE1-CD2 3.47Å; F19-F24 HydrophobicContact CE1-CE2 4.16Å; F19-F24 HydrophobicContact CE1-CG 4.13Å; F19-F24 AromaticContact CE2-CD2 3.69Å; F19-F24 HydrophobicContact CE2-CD2 3.69Å; F19-F24 AromaticContact CE2-CE2 3.49Å; F19-F24 HydrophobicContact CE2-CE2 3.49Å; F19-F24 VanDerWaalsContact CE2-CE2 3.49Å; F19-F24 HydrophobicContact CE2-CZ 4.3Å; F19-F24 HydrophobicContact CZ-CB 4.32Å; F19-F24 AromaticContact CZ-CD2 3.13Å; F19-F24 HydrophobicContact CZ-CD2 3.13Å; F19-F24 AromaticContact CZ-CE2 3.46Å; F19-F24 HydrophobicContact CZ-CE2 3.46Å; F19-F24 VanDerWaalsContact CZ-CE2 3.46Å; F19-F24 AromaticContact CZ-CG 3.8Å; F19-F24 HydrophobicContact CZ-CG 3.8Å; F19-F24 HydrophobicContact CZ-CZ 4.32Å
20C85.3Confident77.7Confident6 Ų649.6 Ų49.64%0.04130%0.3CS..  trans-77.358.9179.4-64.40000111.5V22 T23 F24 E84C20-V22 VanDerWaalsContact C-N 3.31Å; C20-V22 PolarHBondContact O-N 3.3Å; C20-T23 PolarHBondContact O-N 3.5Å; C20-F24 HydrophobicContact CB-CD2 4.3Å; C20-F24 HydrophobicContact CB-CE2 4.25Å; C20-F24 WeakPolarHBondContact O-CD2 3.34Å; C20-F24 PolarHBondContact O-N 2.92Å; C20-E84 VanDerWaalsContact CA-CD 3.48Å; C20-E84 VanDerWaalsContact CA-OE2 3.32Å; C20-E84 WeakPolarHBondContact CA-OE2 3.32Å; C20-E84 WeakPolarHBondContact CB-OE2 3.31Å
21L88.5Confident79.6Confident47 Ų4749 Ų4925%0.24629%0.289CS..Hα-helixtrans-54.4-44.7-172.1-176.187.9000112.7F19 F24 A25 E84 M207F19-L21 HydrophobicContact CD1-CB 4.07Å; F19-L21 HydrophobicContact CD1-CD1 4.24Å; F19-L21 HydrophobicContact CE1-CD1 4.39Å; F19-L21 PolarHBondContact O-N 2.98Å; L21-F24 PolarHBondContact O-N 3.38Å; L21-A25 VanDerWaalsContact O-CB 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.23Å; L21-A25 PolarHBondContact O-N 3.09Å; L21-E84 PolarHBondContact N-OE1 3.2Å; L21-M207 WeakPolarHBondContact CB-O 3.26Å; L21-M207 HydrophobicContact CD1-CE 3.89Å; L21-M207 HydrophobicContact CD1-CG 3.86Å; L21-M207 HydrophobicContact CD2-CG 4.26Å
22V90.3Very high81.3Confident15 Ų1552.4 Ų52.49%0.09131%0.307CS..Hα-helixtrans-67.2-42.9-175.9174.50000110C20 F24 A25 L26 E84 F92 L93C20-V22 VanDerWaalsContact C-N 3.31Å; C20-V22 PolarHBondContact O-N 3.3Å; V22-F24 VanDerWaalsContact C-N 3.35Å; V22-F24 PolarHBondContact O-N 3.29Å; V22-A25 PolarHBondContact O-N 3.06Å; V22-L26 HydrophobicContact CG1-CD1 3.99Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.84Å; V22-E84 WeakPolarHBondContact CB-OE1 3.37Å; V22-E84 PolarHBondContact N-OE1 2.87Å; V22-F92 HydrophobicContact CB-CD1 4.02Å; V22-F92 HydrophobicContact CB-CE1 4.39Å; V22-F92 HydrophobicContact CG1-CD1 3.58Å; V22-F92 HydrophobicContact CG1-CE1 3.79Å; V22-L93 HydrophobicContact CG1-CB 3.98Å; V22-L93 HydrophobicContact CG1-CD1 3.94Å; V22-L93 HydrophobicContact CG2-CB 4.29Å
23T91.6Very high82.8Confident0 Ų052.3 Ų52.30%031%0.307CS..Hα-helixtrans-58.3-47.9175.3-55.50000111.1C20 L26 I27 L76 G80 E84C20-T23 PolarHBondContact O-N 3.5Å; T23-L26 PolarHBondContact O-N 3.28Å; T23-I27 HydrophobicContact CG2-CD1 4.05Å; T23-I27 WeakPolarHBondContact O-CD1 3.28Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.38Å; T23-I27 PolarHBondContact O-N 3.48Å; T23-I27 VanDerWaalsContact O-N 3.07Å; T23-L76 HydrophobicContact CG2-CB 4.32Å; T23-L76 HydrophobicContact CG2-CD2 4.21Å; T23-L76 WeakPolarHBondContact CG2-O 3.18Å; T23-G80 VanDerWaalsContact OG1-C 3.3Å; T23-G80 PolarHBondContact OG1-O 2.98Å; T23-E84 WeakPolarHBondContact CB-OE2 3.49Å; T23-E84 PolarHBondContact N-OE2 3.41Å; T23-E84 PolarHBondContact OG1-OE2 3.48Å
24F91.8Very high84.5Confident86 Ų8655.3 Ų55.338%0.37731%0.31SS..Hα-helixtrans-67-39.7178.7-75.4-67.2000112.9F19 C20 L21 V22 I27 A28 L77F19-F24 HydrophobicContact CD1-CD2 4.26Å; F19-F24 HydrophobicContact CD2-CD2 4.44Å; F19-F24 HydrophobicContact CD2-CE2 4.22Å; F19-F24 HydrophobicContact CE1-CB 4.24Å; F19-F24 AromaticContact CE1-CD2 3.47Å; F19-F24 HydrophobicContact CE1-CD2 3.47Å; F19-F24 VanDerWaalsContact CE1-CD2 3.47Å; F19-F24 HydrophobicContact CE1-CE2 4.16Å; F19-F24 HydrophobicContact CE1-CG 4.13Å; F19-F24 AromaticContact CE2-CD2 3.69Å; F19-F24 HydrophobicContact CE2-CD2 3.69Å; F19-F24 AromaticContact CE2-CE2 3.49Å; F19-F24 HydrophobicContact CE2-CE2 3.49Å; F19-F24 VanDerWaalsContact CE2-CE2 3.49Å; F19-F24 HydrophobicContact CE2-CZ 4.3Å; F19-F24 HydrophobicContact CZ-CB 4.32Å; F19-F24 AromaticContact CZ-CD2 3.13Å; F19-F24 HydrophobicContact CZ-CD2 3.13Å; F19-F24 AromaticContact CZ-CE2 3.46Å; F19-F24 HydrophobicContact CZ-CE2 3.46Å; F19-F24 VanDerWaalsContact CZ-CE2 3.46Å; F19-F24 AromaticContact CZ-CG 3.8Å; F19-F24 HydrophobicContact CZ-CG 3.8Å; F19-F24 HydrophobicContact CZ-CZ 4.32Å; C20-F24 HydrophobicContact CB-CD2 4.3Å; C20-F24 HydrophobicContact CB-CE2 4.25Å; C20-F24 WeakPolarHBondContact O-CD2 3.34Å; C20-F24 PolarHBondContact O-N 2.92Å; L21-F24 PolarHBondContact O-N 3.38Å; V22-F24 VanDerWaalsContact C-N 3.35Å; V22-F24 PolarHBondContact O-N 3.29Å; F24-I27 PolarHBondContact O-N 3.46Å; F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 3.45Å; F24-L77 HydrophobicContact CE1-CD2 4.09Å
25A92.8Very high85.8Confident56 Ų5657.5 Ų57.546%0.46333%0.33SS..Hα-helixtrans-63.5-43.4177.200000111.5L21 V22 A28 F29L21-A25 VanDerWaalsContact O-CB 3.23Å; L21-A25 WeakPolarHBondContact O-CB 3.23Å; L21-A25 PolarHBondContact O-N 3.09Å; V22-A25 PolarHBondContact O-N 3.06Å; A25-A28 PolarHBondContact O-N 3.01Å; A25-F29 VanDerWaalsContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CB 3.41Å; A25-F29 PolarHBondContact O-N 2.86Å
26L93.3Very high87.2Confident21 Ų2151.9 Ų51.911%0.1131%0.313CS..Hα-helixtrans-61.7-45.3175.1-72172.1000111.3V22 T23 F29 M30 L61 L76 F92 F124V22-L26 HydrophobicContact CG1-CD1 3.99Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.84Å; T23-L26 PolarHBondContact O-N 3.28Å; L26-F29 PolarHBondContact O-N 3.41Å; L26-M30 VanDerWaalsContact O-CG 3.3Å; L26-M30 WeakPolarHBondContact O-CG 3.42Å; L26-M30 PolarHBondContact O-N 2.97Å; L26-L61 HydrophobicContact CD2-CD2 3.88Å; L26-L76 HydrophobicContact CD1-CD2 4.27Å; L26-F92 HydrophobicContact CD1-CE1 4.13Å; L26-F92 HydrophobicContact CD1-CZ 4.49Å; L26-F124 HydrophobicContact CD1-CZ 4.16Å
27I93.8Very high88.1Confident13 Ų1353.7 Ų53.77%0.06734%0.336CS..Hα-helixtrans-61.3-49.9176.6-68.6163.4000110.9T23 F24 F29 M30 L31 V73 L76 L77T23-I27 HydrophobicContact CG2-CD1 4.05Å; T23-I27 WeakPolarHBondContact O-CD1 3.28Å; T23-I27 VanDerWaalsContact O-CG1 3.28Å; T23-I27 WeakPolarHBondContact O-CG1 3.38Å; T23-I27 PolarHBondContact O-N 3.48Å; T23-I27 VanDerWaalsContact O-N 3.07Å; F24-I27 PolarHBondContact O-N 3.46Å; I27-F29 VanDerWaalsContact C-N 3.26Å; I27-F29 PolarHBondContact O-N 2.81Å; I27-M30 PolarHBondContact O-N 2.86Å; I27-L31 HydrophobicContact CG2-CD1 3.83Å; I27-L31 HydrophobicContact CG2-CG 4.28Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.31Å; I27-L31 WeakPolarHBondContact O-CG 3.39Å; I27-L31 PolarHBondContact O-N 2.82Å; I27-V73 HydrophobicContact CG1-CG1 4.48Å; I27-V73 HydrophobicContact CG2-CG1 3.91Å; I27-V73 HydrophobicContact CG2-CG2 4.27Å; I27-L76 HydrophobicContact CD1-CB 3.99Å; I27-L76 HydrophobicContact CG1-CB 3.89Å; I27-L76 HydrophobicContact CG1-CD1 4.12Å; I27-L77 HydrophobicContact CD1-CD2 3.45Å; I27-L77 VanDerWaalsContact CD1-CD2 3.45Å; I27-L77 HydrophobicContact CD1-CG 3.62Å
28A94.1Very high89.1Confident58 Ų5852.9 Ų52.948%0.47932%0.323SS..Hα-helixtrans-58.6-41.8179.400000111.2F24 A25 L31 L32F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 3.45Å; A25-A28 PolarHBondContact O-N 3.01Å; A28-L31 PolarHBondContact O-N 2.95Å; A28-L32 VanDerWaalsContact O-CB 3.29Å; A28-L32 WeakPolarHBondContact O-CB 3.27Å; A28-L32 PolarHBondContact O-N 2.89Å
29F93.3Very high89.9Confident76 Ų7657.3 Ų57.333%0.33334%0.336SS..Hα-helixtrans-65.6-45.3177.6-170.8-97000112.4A25 L26 I27 L31 L32 M33 L58 L61A25-F29 VanDerWaalsContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CB 3.41Å; A25-F29 PolarHBondContact O-N 2.86Å; L26-F29 PolarHBondContact O-N 3.41Å; I27-F29 VanDerWaalsContact C-N 3.26Å; I27-F29 PolarHBondContact O-N 2.81Å; F29-L31 VanDerWaalsContact C-N 3.35Å; F29-L31 PolarHBondContact O-N 3.4Å; F29-L32 PolarHBondContact O-N 3.42Å; F29-M33 HydrophobicContact CD1-CG 3.97Å; F29-M33 HydrophobicContact CE1-CG 3.63Å; F29-M33 HydrophobicContact CE1-SD 4.11Å; F29-M33 HydrophobicContact CZ-CG 3.94Å; F29-M33 HydrophobicContact CZ-SD 3.94Å; F29-M33 WeakPolarHBondContact O-CB 3.13Å; F29-M33 VanDerWaalsContact O-CG 3.24Å; F29-M33 WeakPolarHBondContact O-CG 3.19Å; F29-M33 PolarHBondContact O-N 3.42Å; F29-L58 HydrophobicContact CE1-CD2 3.96Å; F29-L58 HydrophobicContact CZ-CD2 3.85Å; F29-L61 HydrophobicContact CD1-CB 3.89Å; F29-L61 HydrophobicContact CD1-CD1 3.53Å; F29-L61 HydrophobicContact CD1-CD2 4.4Å; F29-L61 HydrophobicContact CD1-CG 4.13Å; F29-L61 HydrophobicContact CE1-CB 3.87Å; F29-L61 HydrophobicContact CE1-CD1 3.42Å; F29-L61 VanDerWaalsContact CE1-CD1 3.42Å; F29-L61 HydrophobicContact CE1-CG 4.22Å
30M92.6Very high90.1Very high1 Ų153 Ų531%0.00532%0.319CS..Hα-helixtrans-61.7-42.1175.7-68-169.9-47.300111.9L26 I27 M33 Y34 L61 H63 L69 V73 L76 F124L26-M30 VanDerWaalsContact O-CG 3.3Å; L26-M30 WeakPolarHBondContact O-CG 3.42Å; L26-M30 PolarHBondContact O-N 2.97Å; I27-M30 PolarHBondContact O-N 2.86Å; M30-M33 PolarHBondContact O-N 2.79Å; M30-Y34 WeakPolarHBondContact O-CB 3.11Å; M30-Y34 PolarHBondContact O-N 2.86Å; M30-L61 HydrophobicContact CG-CB 4.35Å; M30-L61 HydrophobicContact CG-CD2 4.04Å; M30-L61 WeakPolarHBondContact CG-O 3.22Å; M30-H63 VanDerWaalsContact SD-CE1 3.5Å; M30-L69 HydrophobicContact CB-CD1 4.09Å; M30-V73 HydrophobicContact CE-CG2 3.97Å; M30-L76 HydrophobicContact CE-CD1 3.22Å; M30-L76 HydrophobicContact SD-CD1 4.09Å; M30-F124 HydrophobicContact SD-CB 3.76Å; M30-F124 HydrophobicContact SD-CG 4.17Å
31L93.8Very high90.1Very high83 Ų8354.5 Ų54.544%0.43533%0.33SS..Hα-helixtrans-64.7-40.8176.4-69.8175.1000111.8I27 A28 F29 Y34 A35 L69 V73I27-L31 HydrophobicContact CG2-CD1 3.83Å; I27-L31 HydrophobicContact CG2-CG 4.28Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.31Å; I27-L31 WeakPolarHBondContact O-CG 3.39Å; I27-L31 PolarHBondContact O-N 2.82Å; A28-L31 PolarHBondContact O-N 2.95Å; F29-L31 VanDerWaalsContact C-N 3.35Å; F29-L31 PolarHBondContact O-N 3.4Å; L31-Y34 PolarHBondContact O-N 2.9Å; L31-A35 VanDerWaalsContact O-CB 3.25Å; L31-A35 WeakPolarHBondContact O-CB 3.33Å; L31-A35 PolarHBondContact O-N 3.37Å; L31-L69 HydrophobicContact CD2-CD2 4.19Å; L31-V73 HydrophobicContact CD2-CG2 4.4Å
32L93.8Very high89.9Confident122 Ų12252.4 Ų52.464%0.63932%0.319SS*.Hα-helixtrans-66.1-43.4177.6-173.867.3000111.6A28 F29 Y34 A35 G36A28-L32 VanDerWaalsContact O-CB 3.29Å; A28-L32 WeakPolarHBondContact O-CB 3.27Å; A28-L32 PolarHBondContact O-N 2.89Å; F29-L32 PolarHBondContact O-N 3.42Å; L32-Y34 VanDerWaalsContact C-N 3.34Å; L32-A35 PolarHBondContact O-N 2.91Å; L32-G36 PolarHBondContact O-N 3.35Å
33M91.5Very high89.5Confident12 Ų1254 Ų546%0.05933%0.331CS..Hα-helixtrans-60.5-44.6175.4-73.7-74-68.100111.3F29 M30 G36 G37 I38 L58F29-M33 HydrophobicContact CD1-CG 3.97Å; F29-M33 HydrophobicContact CE1-CG 3.63Å; F29-M33 HydrophobicContact CE1-SD 4.11Å; F29-M33 HydrophobicContact CZ-CG 3.94Å; F29-M33 HydrophobicContact CZ-SD 3.94Å; F29-M33 WeakPolarHBondContact O-CB 3.13Å; F29-M33 VanDerWaalsContact O-CG 3.24Å; F29-M33 WeakPolarHBondContact O-CG 3.19Å; F29-M33 PolarHBondContact O-N 3.42Å; M30-M33 PolarHBondContact O-N 2.79Å; M33-G36 PolarHBondContact O-N 2.93Å; M33-G37 PolarHBondContact O-N 2.73Å; M33-I38 HydrophobicContact CE-CB 3.73Å; M33-I38 HydrophobicContact CE-CG2 3.37Å; M33-I38 PolarHBondContact O-N 3.03Å; M33-I38 HydrophobicContact SD-CB 3.93Å; M33-I38 HydrophobicContact SD-CD1 3.93Å; M33-I38 HydrophobicContact SD-CG2 3.94Å; M33-L58 HydrophobicContact CE-CD1 4.49Å; M33-L58 HydrophobicContact CE-CD2 3.99Å; M33-L58 HydrophobicContact SD-CD2 4.44Å
34Y91.8Very high89Confident94 Ų9454.2 Ų54.237%0.36933%0.332SS..Hα-helixtrans-65.8-47.4177.4-173.7-101.5000112.3M30 L31 L32 G36 G37 L69M30-Y34 WeakPolarHBondContact O-CB 3.11Å; M30-Y34 PolarHBondContact O-N 2.86Å; L31-Y34 PolarHBondContact O-N 2.9Å; L32-Y34 VanDerWaalsContact C-N 3.34Å; Y34-G36 VanDerWaalsContact C-N 3.29Å; Y34-G36 PolarHBondContact O-N 3.34Å; Y34-G37 PolarHBondContact O-N 2.92Å; Y34-G37 VanDerWaalsContact O-N 3.08Å; Y34-L69 HydrophobicContact CD1-CD2 3.57Å; Y34-L69 HydrophobicContact CD2-CD2 3.9Å; Y34-L69 HydrophobicContact CE1-CD2 4.07Å; Y34-L69 HydrophobicContact CE2-CD2 4.37Å; Y34-L69 HydrophobicContact CG-CD2 3.47Å; Y34-L69 VanDerWaalsContact CG-CD2 3.47Å
35A91.1Very high88.2Confident87 Ų8751.1 Ų51.172%0.71933%0.325SS*.Hα-helixtrans-65-33.3178.100000112.6L31 L32 G37L31-A35 VanDerWaalsContact O-CB 3.25Å; L31-A35 WeakPolarHBondContact O-CB 3.33Å; L31-A35 PolarHBondContact O-N 3.37Å; L32-A35 PolarHBondContact O-N 2.91Å; A35-G37 PolarHBondContact O-N 2.94Å
36G89.2Confident87.2Confident56 Ų5651.4 Ų51.458%0.57732%0.322SS*.THydrogen-bonded Turntrans-77.2-3.6174.200000114.4L32 M33 Y34 I38L32-G36 PolarHBondContact O-N 3.35Å; M33-G36 PolarHBondContact O-N 2.93Å; Y34-G36 VanDerWaalsContact C-N 3.29Å; Y34-G36 PolarHBondContact O-N 3.34Å; G36-I38 PolarHBondContact O-N 3.08Å
37G84.6Confident86.1Confident53 Ų5354.5 Ų54.555%0.54636%0.358SS..THydrogen-bonded Turntrans6619.6-177.900000114.1M33 Y34 A35 Q39M33-G37 PolarHBondContact O-N 2.73Å; Y34-G37 PolarHBondContact O-N 2.92Å; Y34-G37 VanDerWaalsContact O-N 3.08Å; A35-G37 PolarHBondContact O-N 2.94Å; G37-Q39 PolarHBondContact O-N 2.74Å; G37-Q39 VanDerWaalsContact O-N 3.16Å
38I84.3Confident84.9Confident92 Ų9255.1 Ų55.147%0.47237%0.368SS..  trans-82.897.5-177.6-54.2174.9000108.5M33 G36 A40M33-I38 HydrophobicContact CE-CB 3.73Å; M33-I38 HydrophobicContact CE-CG2 3.37Å; M33-I38 PolarHBondContact O-N 3.03Å; M33-I38 HydrophobicContact SD-CB 3.93Å; M33-I38 HydrophobicContact SD-CD1 3.93Å; M33-I38 HydrophobicContact SD-CG2 3.94Å; G36-I38 PolarHBondContact O-N 3.08Å; I38-A40 PolarHBondContact O-N 2.91Å
39Q82.4Confident83.8Confident121 Ų12162 Ų6257%0.56538%0.383SS*.  trans-97.489.7177.9-67.4179.3-14.700110.3G37G37-Q39 PolarHBondContact O-N 2.74Å; G37-Q39 VanDerWaalsContact O-N 3.16Å
40A83.1Confident82.7Confident13 Ų1368.3 Ų68.311%0.10741%0.411CS..  trans-91.3117.8171.500000109.5I38 L58 S62I38-A40 PolarHBondContact O-N 2.91Å; A40-L58 HydrophobicContact CB-CB 3.52Å; A40-L58 HydrophobicContact CB-CD1 4.28Å; A40-S62 VanDerWaalsContact O-CB 3.24Å; A40-S62 WeakPolarHBondContact O-CB 3.28Å; A40-S62 PolarHBondContact O-OG 3.42Å
41S83.9Confident81.9Confident38 Ų3871.1 Ų71.127%0.26643%0.429SS..  trans-125.5142.9177.758.10000110.8R120S41-R120 PolarHBondContact OG-NE 3.45Å; S41-R120 PolarHBondContact OG-NH2 2.86Å
42L83.9Confident81.3Confident3 Ų376.4 Ų76.42%0.01644%0.443CS..EExtended strand (participates in β ladder)trans-90.6116.6176.7-15472.2000109.1V44 P51 D55 V56 Y59 A104 R120 I121L42-V44 HydrophobicContact CB-CG2 4.16Å; L42-V44 HydrophobicContact CD2-CG2 3.49Å; L42-V44 VanDerWaalsContact CD2-CG2 3.49Å; L42-V44 HydrophobicContact CG-CG2 3.6Å; L42-P51 HydrophobicContact CD1-CB 3.33Å; L42-P51 HydrophobicContact CD1-CG 4.05Å; L42-P51 HydrophobicContact CG-CB 4.35Å; L42-D55 HydrophobicContact CD1-CB 4.09Å; L42-V56 HydrophobicContact CD1-CG2 4.27Å; L42-Y59 HydrophobicContact CB-CD1 4.25Å; L42-Y59 HydrophobicContact CB-CD2 4.38Å; L42-Y59 HydrophobicContact CB-CG 3.87Å; L42-Y59 HydrophobicContact CD2-CD1 4Å; L42-Y59 HydrophobicContact CD2-CE1 4.2Å; L42-Y59 HydrophobicContact CD2-CG 4.37Å; L42-A104 HydrophobicContact CD2-CB 3.68Å; L42-R120 WeakPolarHBondContact O-CA 3.26Å; L42-I121 HydrophobicContact CB-CD1 4.35Å; L42-I121 HydrophobicContact CB-CG1 3.75Å; L42-I121 HydrophobicContact CD2-CD1 4.19Å; L42-I121 HydrophobicContact CD2-CG1 4.48Å; L42-I121 PolarHBondContact N-O 3.44Å; L42-I121 PolarHBondContact O-N 2.77Å
43S83.4Confident80.7Confident50 Ų5079.5 Ų79.535%0.3545%0.451SS..EExtended strand (participates in β ladder)trans-89.1109.6170.3-178.20000108.6
44V81.6Confident80.3Confident4 Ų484.4 Ų84.42%0.02448%0.477CS..EExtended strand (participates in β ladder)trans-120130.4-172.81730000110.5L42 Y107 T108 L111 A118 S119 I121L42-V44 HydrophobicContact CB-CG2 4.16Å; L42-V44 HydrophobicContact CD2-CG2 3.49Å; L42-V44 VanDerWaalsContact CD2-CG2 3.49Å; L42-V44 HydrophobicContact CG-CG2 3.6Å; V44-Y107 HydrophobicContact CB-CD1 4.22Å; V44-Y107 HydrophobicContact CB-CE1 4.37Å; V44-Y107 HydrophobicContact CG1-CD1 3.91Å; V44-Y107 HydrophobicContact CG1-CE1 4.35Å; V44-T108 HydrophobicContact CB-CG2 4.18Å; V44-T108 HydrophobicContact CG1-CG2 3.17Å; V44-T108 HydrophobicContact CG2-CG2 3.97Å; V44-L111 HydrophobicContact CG1-CD1 4.04Å; V44-L111 VanDerWaalsContact O-CD1 3.31Å; V44-L111 WeakPolarHBondContact O-CD1 3.37Å; V44-A118 CarbonylContact O-C 3.56Å; V44-A118 WeakPolarHBondContact O-CA 3.46Å; V44-S119 PolarHBondContact N-O 3.49Å; V44-S119 PolarHBondContact O-N 3.22Å; V44-I121 HydrophobicContact CG2-CD1 4.2Å; V44-I121 HydrophobicContact CG2-CG1 4.41Å
45G75.1Confident80Confident21 Ų2182.3 Ų82.322%0.21647%0.472CS..SBendtrans142.1176.5171.200000113.1G47 G48G45-G47 PolarHBondContact O-N 2.86Å; G45-G48 PolarHBondContact O-N 2.88Å
46P70.9Confident79.8Confident62 Ų6279.5 Ų79.540%0.40345%0.446SS..THydrogen-bonded Turntrans-59.6124.8175.324-30.8000110.2G116P46-G116 WeakPolarHBondContact CD-O 3.47Å; P46-G116 WeakPolarHBondContact CG-O 3.35Å
47G71Confident79.6Confident85 Ų8580.8 Ų80.888%0.87644%0.436SS*.THydrogen-bonded Turntrans86.9-0.9-173.800000115.2G45G45-G47 PolarHBondContact O-N 2.86Å
48G66.7Low79.9Confident26 Ų2680.1 Ų80.127%0.26842%0.419SS..PPolyproline II helixtrans-74.5154.2171.800000113G45G45-G48 PolarHBondContact O-N 2.88Å
49Y72.8Confident80.2Confident204 Ų20475.8 Ų75.880%0.840%0.397SS*.PPolyproline II helixtrans-71.3145172.3-66.9-82.7000111.1P51Y49-P51 WeakPolarHBondContact O-CD 3.35Å
50F69.3Low80.5Confident208 Ų20870 Ų7091%0.91237%0.37SS*.PPolyproline II helixtrans-61.2121.2171-80.2-80.5000109.7
51P74.9Confident80.9Confident59 Ų5970.3 Ų70.338%0.38337%0.37SS..PPolyproline II helixtrans-71.7145.7-178.129-34.4000110.9L42 Y49 D55 V56L42-P51 HydrophobicContact CD1-CB 3.33Å; L42-P51 HydrophobicContact CD1-CG 4.05Å; L42-P51 HydrophobicContact CG-CB 4.35Å; Y49-P51 WeakPolarHBondContact O-CD 3.35Å; P51-D55 HydrophobicContact CB-CB 4.45Å; P51-V56 HydrophobicContact CB-CG2 4.24Å; P51-V56 HydrophobicContact CG-CG2 4.23Å
52R82.1Confident81.2Confident195 Ų19568.6 Ų68.674%0.73636%0.358SS*.PPolyproline II helixtrans-72.6153.1170-51.9178.986167.34.7108.4I54 D55 V56R52-I54 PolarHBondContact O-N 3.12Å; R52-I54 VanDerWaalsContact O-N 3.11Å; R52-D55 VanDerWaalsContact CB-OD2 3.25Å; R52-D55 WeakPolarHBondContact CB-OD2 3.45Å; R52-D55 WeakPolarHBondContact CG-OD2 3.22Å; R52-D55 PolarHBondContact N-OD2 2.93Å; R52-D55 WeakPolarHBondContact O-CB 3.26Å; R52-D55 PolarHBondContact O-N 3.02Å; R52-V56 PolarHBondContact O-N 3.09Å
53F80.8Confident81.5Confident186 Ų18668.9 Ų68.982%0.81636%0.359SS*.Hα-helixtrans-51.5-38.7177-80.5-81.2000112.9V56 F57F53-V56 PolarHBondContact O-N 3.43Å; F53-F57 VanDerWaalsContact O-CD2 3.25Å; F53-F57 WeakPolarHBondContact O-CD2 3.18Å
54I83.7Confident81.6Confident115 Ų11568.4 Ų68.459%0.5935%0.353SS*.Hα-helixtrans-67.3-37.7179.1-61.2178.4000111.3R52 V56 F57 L58R52-I54 PolarHBondContact O-N 3.12Å; R52-I54 VanDerWaalsContact O-N 3.11Å; I54-V56 PolarHBondContact O-N 2.83Å; I54-F57 PolarHBondContact O-N 2.92Å; I54-L58 HydrophobicContact CG2-CD1 3.4Å; I54-L58 VanDerWaalsContact CG2-CD1 3.4Å; I54-L58 HydrophobicContact CG2-CG 3.79Å; I54-L58 WeakPolarHBondContact O-CG 3.41Å; I54-L58 PolarHBondContact O-N 3.41Å
55D85.3Confident81.9Confident51 Ų5172.9 Ų72.927%0.27338%0.377SS..Hα-helixtrans-64.6-32.4-179.4-55.2-29.7000111.3L42 P51 R52 F57 L58 Y59L42-D55 HydrophobicContact CD1-CB 4.09Å; P51-D55 HydrophobicContact CB-CB 4.45Å; R52-D55 VanDerWaalsContact CB-OD2 3.25Å; R52-D55 WeakPolarHBondContact CB-OD2 3.45Å; R52-D55 WeakPolarHBondContact CG-OD2 3.22Å; R52-D55 PolarHBondContact N-OD2 2.93Å; R52-D55 WeakPolarHBondContact O-CB 3.26Å; R52-D55 PolarHBondContact O-N 3.02Å; D55-F57 PolarHBondContact O-N 2.8Å; D55-L58 PolarHBondContact O-N 2.85Å; D55-Y59 WeakPolarHBondContact O-CB 3.45Å; D55-Y59 PolarHBondContact O-N 3.25Å
56V86.6Confident82.6Confident28 Ų2875 Ų7517%0.1739%0.388CS..Hα-helixtrans-64.1-26.2174.7-177.80000112L42 P51 R52 F53 I54 Y59 I100 T101 A104L42-V56 HydrophobicContact CD1-CG2 4.27Å; P51-V56 HydrophobicContact CB-CG2 4.24Å; P51-V56 HydrophobicContact CG-CG2 4.23Å; R52-V56 PolarHBondContact O-N 3.09Å; F53-V56 PolarHBondContact O-N 3.43Å; I54-V56 PolarHBondContact O-N 2.83Å; V56-Y59 WeakPolarHBondContact O-CD1 3.41Å; V56-Y59 WeakPolarHBondContact O-CE1 3.33Å; V56-I100 WeakPolarHBondContact O-CG2 3.48Å; V56-T101 HydrophobicContact CG1-CG2 4.19Å; V56-A104 HydrophobicContact CG1-CB 4.28Å
57F85.7Confident83.4Confident83 Ų8375.8 Ų75.836%0.36439%0.393SS..Hα-helixtrans-93.3-41.6175.3-68.1-72.5000112.2F53 I54 D55 Y59 I97 I100 T101F53-F57 VanDerWaalsContact O-CD2 3.25Å; F53-F57 WeakPolarHBondContact O-CD2 3.18Å; I54-F57 PolarHBondContact O-N 2.92Å; D55-F57 PolarHBondContact O-N 2.8Å; F57-Y59 VanDerWaalsContact C-N 3.35Å; F57-Y59 PolarHBondContact O-N 3.06Å; F57-I97 HydrophobicContact CE1-CG2 4.05Å; F57-I100 HydrophobicContact CD1-CG2 4.24Å; F57-T101 HydrophobicContact CE1-CG2 3.56Å; F57-T101 HydrophobicContact CZ-CG2 3.58Å
58L89.8Confident84.1Confident38 Ų3872.8 Ų72.820%0.19936%0.359CS..Hα-helixtrans-71.3-27.5-175.4-67.6-178.8000113.1F29 M33 A40 I54 D55 A60 L61 S62F29-L58 HydrophobicContact CE1-CD2 3.96Å; F29-L58 HydrophobicContact CZ-CD2 3.85Å; M33-L58 HydrophobicContact CE-CD1 4.49Å; M33-L58 HydrophobicContact CE-CD2 3.99Å; M33-L58 HydrophobicContact SD-CD2 4.44Å; A40-L58 HydrophobicContact CB-CB 3.52Å; A40-L58 HydrophobicContact CB-CD1 4.28Å; I54-L58 HydrophobicContact CG2-CD1 3.4Å; I54-L58 VanDerWaalsContact CG2-CD1 3.4Å; I54-L58 HydrophobicContact CG2-CG 3.79Å; I54-L58 WeakPolarHBondContact O-CG 3.41Å; I54-L58 PolarHBondContact O-N 3.41Å; D55-L58 PolarHBondContact O-N 2.85Å; L58-A60 PolarHBondContact O-N 3.27Å; L58-L61 PolarHBondContact O-N 3.12Å; L58-S62 PolarHBondContact O-N 3.3Å; L58-S62 PolarHBondContact O-OG 2.89Å
59Y90.6Very high85.3Confident1 Ų172.1 Ų72.10%0.00435%0.349CS..THydrogen-bonded Turntrans-59.7-34.9-179.589-90.5000112.7L42 D55 V56 F57 L61 S62 I100 A104 I121 C122 G123L42-Y59 HydrophobicContact CB-CD1 4.25Å; L42-Y59 HydrophobicContact CB-CD2 4.38Å; L42-Y59 HydrophobicContact CB-CG 3.87Å; L42-Y59 HydrophobicContact CD2-CD1 4Å; L42-Y59 HydrophobicContact CD2-CE1 4.2Å; L42-Y59 HydrophobicContact CD2-CG 4.37Å; D55-Y59 WeakPolarHBondContact O-CB 3.45Å; D55-Y59 PolarHBondContact O-N 3.25Å; V56-Y59 WeakPolarHBondContact O-CD1 3.41Å; V56-Y59 WeakPolarHBondContact O-CE1 3.33Å; F57-Y59 VanDerWaalsContact C-N 3.35Å; F57-Y59 PolarHBondContact O-N 3.06Å; Y59-L61 VanDerWaalsContact C-N 3.26Å; Y59-L61 PolarHBondContact O-N 2.94Å; Y59-S62 PolarHBondContact O-OG 3.25Å; Y59-S62 VanDerWaalsContact O-OG 3.07Å; Y59-I100 HydrophobicContact CE1-CG2 3.76Å; Y59-I100 PolarHBondContact OH-O 3.44Å; Y59-A104 HydrophobicContact CE1-CB 4.07Å; Y59-I121 HydrophobicContact CD2-CD1 4.17Å; Y59-I121 HydrophobicContact CD2-CG1 4.05Å; Y59-I121 HydrophobicContact CE2-CD1 3.91Å; Y59-I121 HydrophobicContact CE2-CG1 4.28Å; Y59-C122 CarbonylContact O-C 3.58Å; Y59-C122 VanDerWaalsContact O-CA 3.3Å; Y59-C122 WeakPolarHBondContact O-CA 3.14Å; Y59-G123 PolarHBondContact O-N 3.35Å
60A90.5Very high86.2Confident0 Ų067.6 Ų67.60%034%0.338CS..THydrogen-bonded Turntrans-74.6-22.2-17900000111.7L58 I100 G123 F124 I127L58-A60 PolarHBondContact O-N 3.27Å; A60-I100 HydrophobicContact CB-CD1 3.98Å; A60-I100 HydrophobicContact CB-CG1 3.72Å; A60-I100 HydrophobicContact CB-CG2 4.05Å; A60-G123 CarbonylContact O-C 3.55Å; A60-F124 HydrophobicContact CB-CD2 4.28Å; A60-F124 WeakPolarHBondContact O-CA 3.46Å; A60-F124 WeakPolarHBondContact O-CB 3.46Å; A60-F124 WeakPolarHBondContact O-CD2 3.34Å; A60-F124 PolarHBondContact O-N 3.2Å; A60-I127 HydrophobicContact CB-CD1 3.74Å; A60-I127 HydrophobicContact CB-CG1 4.22Å
61L90.4Very high87.1Confident20 Ų2060.3 Ų60.311%0.10531%0.308CS..THydrogen-bonded Turntrans-101.5-9.5-174.7-61.3169.9000112.8L26 F29 M30 L58 Y59 F124L26-L61 HydrophobicContact CD2-CD2 3.88Å; F29-L61 HydrophobicContact CD1-CB 3.89Å; F29-L61 HydrophobicContact CD1-CD1 3.53Å; F29-L61 HydrophobicContact CD1-CD2 4.4Å; F29-L61 HydrophobicContact CD1-CG 4.13Å; F29-L61 HydrophobicContact CE1-CB 3.87Å; F29-L61 HydrophobicContact CE1-CD1 3.42Å; F29-L61 VanDerWaalsContact CE1-CD1 3.42Å; F29-L61 HydrophobicContact CE1-CG 4.22Å; M30-L61 HydrophobicContact CG-CB 4.35Å; M30-L61 HydrophobicContact CG-CD2 4.04Å; M30-L61 WeakPolarHBondContact CG-O 3.22Å; L58-L61 PolarHBondContact O-N 3.12Å; Y59-L61 VanDerWaalsContact C-N 3.26Å; Y59-L61 PolarHBondContact O-N 2.94Å; L61-F124 HydrophobicContact CD2-CD2 4.17Å; L61-F124 HydrophobicContact CD2-CE2 4.36Å
62S90.6Very high87.8Confident2 Ų257.6 Ų57.61%0.01429%0.29CS..  trans-92.3149.1174.764.60000111.1A40 L58 Y59 G123A40-S62 VanDerWaalsContact O-CB 3.24Å; A40-S62 WeakPolarHBondContact O-CB 3.28Å; A40-S62 PolarHBondContact O-OG 3.42Å; L58-S62 PolarHBondContact O-N 3.3Å; L58-S62 PolarHBondContact O-OG 2.89Å; Y59-S62 PolarHBondContact O-OG 3.25Å; Y59-S62 VanDerWaalsContact O-OG 3.07Å; S62-G123 WeakPolarHBondContact O-CA 3.44Å; S62-G123 PolarHBondContact O-N 2.94Å
63H89.4Confident88.3Confident8 Ų849.3 Ų49.34%0.03726%0.262CS..  trans-137.4130.1174.5-68.278.8000109M30 L69 S72 F124M30-H63 VanDerWaalsContact SD-CE1 3.5Å; H63-L69 HydrophobicContact CB-CB 3.91Å; H63-L69 HydrophobicContact CB-CD1 4.15Å; H63-S72 WeakPolarHBondContact NE2-CB 3.45Å; H63-S72 PolarHBondContact NE2-OG 3.47Å; H63-F124 PolarHBondContact NE2-N 3.41Å
64D86.6Confident88.7Confident40 Ų4043.8 Ų43.821%0.21424%0.243CC..SBendtrans-79.3-32.8177-68.4-37.3000111.4R120 C122D64-R120 IonicContact OD1-CZ 3.69Å; D64-R120 IonicContact OD1-NH1 3.57Å; D64-R120 IonicContact OD1-NH2 2.97Å; D64-R120 PolarHBondContact OD1-NH2 3.27Å; D64-R120 IonicContact OD2-CZ 3.26Å; D64-R120 VanDerWaalsContact OD2-CZ 3.26Å; D64-R120 IonicContact OD2-NH1 2.73Å; D64-R120 PolarHBondContact OD2-NH1 3.18Å; D64-R120 IonicContact OD2-NH2 3.31Å; D64-R120 PolarHBondContact OD2-NH2 2.91Å; D64-C122 PolarHBondContact OD2-SG 2.87Å
65D87.3Confident88.9Confident99 Ų9939.3 Ų39.353%0.52922%0.22SC..SBendtrans-112.7139.4-173.4-62.1-48.4000112.6P67 S68 L69D65-P67 HydrophobicContact CB-CG 4.06Å; D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 3.41Å; D65-L69 PolarHBondContact O-N 2.73Å; D65-L69 VanDerWaalsContact O-N 3.14Å
66S88.9Confident89.2Confident66 Ų6636.9 Ų36.946%0.46221%0.207SC..Hα-helixtrans-55-46.9170.7168.40000114.1S68 L69 L70S66-S68 VanDerWaalsContact C-N 3.35Å; S66-S68 PolarHBondContact O-N 2.85Å; S66-L69 PolarHBondContact O-N 3.04Å; S66-L70 WeakPolarHBondContact O-CB 3.37Å; S66-L70 PolarHBondContact O-N 2.98Å
67P88.1Confident89.3Confident77 Ų7739.1 Ų39.150%0.522%0.217SC..Hα-helixtrans-63.8-36.6179.522.6-35.2000113.3D65 L70 I71D65-P67 HydrophobicContact CB-CG 4.06Å; P67-L70 PolarHBondContact O-N 2.94Å; P67-I71 WeakPolarHBondContact O-CB 3.16Å; P67-I71 WeakPolarHBondContact O-CD1 3.4Å; P67-I71 VanDerWaalsContact O-CG1 3.26Å; P67-I71 WeakPolarHBondContact O-CG1 3.22Å; P67-I71 PolarHBondContact O-N 2.91Å
68S87Confident89.4Confident22 Ų2238.3 Ų38.315%0.15422%0.217CC..Hα-helixtrans-70.4-36.4179.669.40000111.7D65 S66 S72D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 3.41Å; S66-S68 VanDerWaalsContact C-N 3.35Å; S66-S68 PolarHBondContact O-N 2.85Å; S68-S72 WeakPolarHBondContact O-CB 3.33Å; S68-S72 PolarHBondContact O-N 3.29Å; S68-S72 PolarHBondContact O-OG 3.19Å
69L91.1Very high89.2Confident12 Ų1237.6 Ų37.66%0.06321%0.213CC..Hα-helixtrans-62.1-50.6170.9-179.671000111.1M30 L31 Y34 H63 D65 S66 I71 S72 V73M30-L69 HydrophobicContact CB-CD1 4.09Å; L31-L69 HydrophobicContact CD2-CD2 4.19Å; Y34-L69 HydrophobicContact CD1-CD2 3.57Å; Y34-L69 HydrophobicContact CD2-CD2 3.9Å; Y34-L69 HydrophobicContact CE1-CD2 4.07Å; Y34-L69 HydrophobicContact CE2-CD2 4.37Å; Y34-L69 HydrophobicContact CG-CD2 3.47Å; Y34-L69 VanDerWaalsContact CG-CD2 3.47Å; H63-L69 HydrophobicContact CB-CB 3.91Å; H63-L69 HydrophobicContact CB-CD1 4.15Å; D65-L69 PolarHBondContact O-N 2.73Å; D65-L69 VanDerWaalsContact O-N 3.14Å; S66-L69 PolarHBondContact O-N 3.04Å; L69-I71 VanDerWaalsContact C-N 3.33Å; L69-I71 PolarHBondContact O-N 3.18Å; L69-S72 WeakPolarHBondContact O-CB 3.08Å; L69-S72 PolarHBondContact O-N 3.05Å; L69-S72 VanDerWaalsContact O-N 3.09Å; L69-V73 HydrophobicContact CD1-CG2 4.37Å; L69-V73 HydrophobicContact CG-CG2 4.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 3.22Å
70L90.9Very high89.1Confident109 Ų10937.5 Ų37.557%0.57121%0.213SC*.Hα-helixtrans-59.7-44.6-177.8-172.4145.5000111.4S66 P67 S72 V73 V74S66-L70 WeakPolarHBondContact O-CB 3.37Å; S66-L70 PolarHBondContact O-N 2.98Å; P67-L70 PolarHBondContact O-N 2.94Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.63Å; L70-V73 PolarHBondContact O-N 3.28Å; L70-V74 HydrophobicContact CD2-CG2 4.17Å; L70-V74 WeakPolarHBondContact O-CB 3.26Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.4Å; L70-V74 PolarHBondContact O-N 3.05Å
71I88Confident88.9Confident55 Ų5538.2 Ų38.228%0.28222%0.217SC..Hα-helixtrans-61-44.5175.3-69.8165.8000110.6P67 L69 V73 V74 L75 L165P67-I71 WeakPolarHBondContact O-CB 3.16Å; P67-I71 WeakPolarHBondContact O-CD1 3.4Å; P67-I71 VanDerWaalsContact O-CG1 3.26Å; P67-I71 WeakPolarHBondContact O-CG1 3.22Å; P67-I71 PolarHBondContact O-N 2.91Å; L69-I71 VanDerWaalsContact C-N 3.33Å; L69-I71 PolarHBondContact O-N 3.18Å; I71-V73 PolarHBondContact O-N 3.04Å; I71-V74 PolarHBondContact O-N 3.31Å; I71-L75 HydrophobicContact CG2-CD1 3.58Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CB 3.26Å; I71-L75 WeakPolarHBondContact O-CD1 3.29Å; I71-L75 WeakPolarHBondContact O-CG 3.42Å; I71-L75 PolarHBondContact O-N 2.85Å; I71-L165 HydrophobicContact CD1-CD1 3.52Å
72S90.1Very high88.7Confident2 Ų237.4 Ų37.41%0.01421%0.213CC..Hα-helixtrans-63.3-41.5179.7-59.70000112.2H63 S68 L69 L70 L76H63-S72 WeakPolarHBondContact NE2-CB 3.45Å; H63-S72 PolarHBondContact NE2-OG 3.47Å; S68-S72 WeakPolarHBondContact O-CB 3.33Å; S68-S72 PolarHBondContact O-N 3.29Å; S68-S72 PolarHBondContact O-OG 3.19Å; L69-S72 WeakPolarHBondContact O-CB 3.08Å; L69-S72 PolarHBondContact O-N 3.05Å; L69-S72 VanDerWaalsContact O-N 3.09Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.63Å; S72-L76 WeakPolarHBondContact O-CB 3.5Å; S72-L76 PolarHBondContact O-N 3.16Å
73V92.3Very high88.6Confident22 Ų2237.3 Ų37.313%0.13321%0.213CC..Hα-helixtrans-65.6-47.2176.6171.80000111.2I27 M30 L31 L69 L70 I71 L75 L76 L77I27-V73 HydrophobicContact CG1-CG1 4.48Å; I27-V73 HydrophobicContact CG2-CG1 3.91Å; I27-V73 HydrophobicContact CG2-CG2 4.27Å; M30-V73 HydrophobicContact CE-CG2 3.97Å; L31-V73 HydrophobicContact CD2-CG2 4.4Å; L69-V73 HydrophobicContact CD1-CG2 4.37Å; L69-V73 HydrophobicContact CG-CG2 4.43Å; L69-V73 WeakPolarHBondContact O-CG2 3.31Å; L69-V73 PolarHBondContact O-N 3.22Å; L70-V73 PolarHBondContact O-N 3.28Å; I71-V73 PolarHBondContact O-N 3.04Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 3.05Å; V73-L76 PolarHBondContact O-N 3.33Å; V73-L77 HydrophobicContact CG1-CD1 4.09Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 2.73Å
74V90.1Very high88.6Confident69 Ų6936.9 Ų36.942%0.41821%0.211SC..Hα-helixtrans-61.6-42.8178.11710000110.8L70 I71 L77 L78L70-V74 HydrophobicContact CD2-CG2 4.17Å; L70-V74 WeakPolarHBondContact O-CB 3.26Å; L70-V74 VanDerWaalsContact O-CG2 3.3Å; L70-V74 WeakPolarHBondContact O-CG2 3.4Å; L70-V74 PolarHBondContact O-N 3.05Å; I71-V74 PolarHBondContact O-N 3.31Å; V74-L77 PolarHBondContact O-N 2.9Å; V74-L78 HydrophobicContact CG1-CD1 3.79Å; V74-L78 HydrophobicContact CG1-CG 4.44Å; V74-L78 WeakPolarHBondContact O-CB 3.47Å; V74-L78 VanDerWaalsContact O-CG 3.27Å; V74-L78 WeakPolarHBondContact O-CG 3.18Å; V74-L78 PolarHBondContact O-N 3.19Å
75L88.2Confident88.5Confident21 Ų2137.9 Ų37.911%0.1121%0.211CC..Hα-helixtrans-63.6-43.7175.9-73.1165.2000112I71 V73 L77 L78 L79 G80 F157I71-L75 HydrophobicContact CG2-CD1 3.58Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CB 3.26Å; I71-L75 WeakPolarHBondContact O-CD1 3.29Å; I71-L75 WeakPolarHBondContact O-CG 3.42Å; I71-L75 PolarHBondContact O-N 2.85Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 3.05Å; L75-L77 PolarHBondContact O-N 2.93Å; L75-L78 PolarHBondContact O-N 2.87Å; L75-L79 HydrophobicContact CD2-CD1 4.29Å; L75-L79 HydrophobicContact CD2-CD2 4.43Å; L75-L79 WeakPolarHBondContact O-CA 3.45Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.11Å; L75-G80 PolarHBondContact O-N 3.49Å; L75-F157 HydrophobicContact CD1-CE2 4.48Å; L75-F157 HydrophobicContact CD1-CZ 3.67Å; L75-F157 HydrophobicContact CD2-CE2 3.76Å; L75-F157 HydrophobicContact CD2-CZ 3.73Å; L75-F157 HydrophobicContact CG-CZ 4.36Å
76L91.1Very high88.3Confident0 Ų035.5 Ų35.50%020%0.195CC..Iπ-helixtrans-60.6-44.2175.1-94156.3000112T23 L26 I27 M30 S72 V73 L78 G80 S81 F92 F124 Q128T23-L76 HydrophobicContact CG2-CB 4.32Å; T23-L76 HydrophobicContact CG2-CD2 4.21Å; T23-L76 WeakPolarHBondContact CG2-O 3.18Å; L26-L76 HydrophobicContact CD1-CD2 4.27Å; I27-L76 HydrophobicContact CD1-CB 3.99Å; I27-L76 HydrophobicContact CG1-CB 3.89Å; I27-L76 HydrophobicContact CG1-CD1 4.12Å; M30-L76 HydrophobicContact CE-CD1 3.22Å; M30-L76 HydrophobicContact SD-CD1 4.09Å; S72-L76 WeakPolarHBondContact O-CB 3.5Å; S72-L76 PolarHBondContact O-N 3.16Å; V73-L76 PolarHBondContact O-N 3.33Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 3.12Å; L76-G80 CarbonylContact O-C 3.56Å; L76-G80 WeakPolarHBondContact O-CA 3.38Å; L76-G80 PolarHBondContact O-N 3.24Å; L76-S81 PolarHBondContact O-N 3.17Å; L76-F92 HydrophobicContact CD2-CZ 4.48Å; L76-F124 HydrophobicContact CD1-CD1 3.61Å; L76-F124 HydrophobicContact CD1-CE1 3.93Å; L76-F124 HydrophobicContact CD1-CG 4.44Å; L76-F124 HydrophobicContact CD2-CD1 4.29Å; L76-F124 HydrophobicContact CD2-CE1 3.78Å; L76-F124 HydrophobicContact CG-CD1 3.98Å; L76-F124 HydrophobicContact CG-CE1 3.98Å; L76-Q128 HydrophobicContact CG-CG 4.43Å; L76-Q128 VanDerWaalsContact CG-NE2 3.28Å
77L89.8Confident88.2Confident75 Ų7532.4 Ų32.439%0.39317%0.173SC..Iπ-helixtrans-62-41.7178.1-73.5172000112F24 I27 V73 V74 L75 S81F24-L77 HydrophobicContact CE1-CD2 4.09Å; I27-L77 HydrophobicContact CD1-CD2 3.45Å; I27-L77 VanDerWaalsContact CD1-CD2 3.45Å; I27-L77 HydrophobicContact CD1-CG 3.62Å; V73-L77 HydrophobicContact CG1-CD1 4.09Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 2.73Å; V74-L77 PolarHBondContact O-N 2.9Å; L75-L77 PolarHBondContact O-N 2.93Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.11Å; L77-S81 PolarHBondContact O-OG 3.48Å
78L86Confident88.1Confident67 Ų6728.8 Ų28.835%0.35115%0.15SC..Iπ-helixtrans-79.9-56.4-177.4-66174.9000112.4V5 V74 L75 L76 C82V5-L78 HydrophobicContact CG1-CD2 3.56Å; V74-L78 HydrophobicContact CG1-CD1 3.79Å; V74-L78 HydrophobicContact CG1-CG 4.44Å; V74-L78 WeakPolarHBondContact O-CB 3.47Å; V74-L78 VanDerWaalsContact O-CG 3.27Å; V74-L78 WeakPolarHBondContact O-CG 3.18Å; V74-L78 PolarHBondContact O-N 3.19Å; L75-L78 PolarHBondContact O-N 2.87Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 3.12Å; L78-C82 PolarHBondContact O-SG 3.4Å
79L87Confident88.1Confident22 Ų2227.8 Ų27.812%0.11514%0.143CC..Iπ-helixtrans-87.9-44.6-174-78.662.5000111.6L75 S81 C82 Q83 F132L75-L79 HydrophobicContact CD2-CD1 4.29Å; L75-L79 HydrophobicContact CD2-CD2 4.43Å; L75-L79 WeakPolarHBondContact O-CA 3.45Å; L75-L79 WeakPolarHBondContact O-CB 3.34Å; L75-L79 PolarHBondContact O-N 3.11Å; L79-S81 PolarHBondContact O-N 3.19Å; L79-C82 CarbonylContact O-C 3.52Å; L79-C82 WeakPolarHBondContact O-CA 3.27Å; L79-C82 WeakPolarHBondContact O-CB 3.29Å; L79-C82 PolarHBondContact O-N 3.5Å; L79-Q83 VanDerWaalsContact O-CG 3.28Å; L79-Q83 WeakPolarHBondContact O-CG 3.32Å; L79-Q83 PolarHBondContact O-N 3.03Å; L79-F132 HydrophobicContact CD2-CB 4.05Å; L79-F132 HydrophobicContact CD2-CD2 3.43Å; L79-F132 VanDerWaalsContact CD2-CD2 3.43Å; L79-F132 HydrophobicContact CD2-CE2 4Å; L79-F132 HydrophobicContact CD2-CG 3.81Å; L79-F132 HydrophobicContact CG-CD2 4.18Å
80G87.9Confident87.9Confident0 Ų027.8 Ų27.80%014%0.143CC..Iπ-helixtrans-58.3-47-179.200000112.1T23 L75 L76 C82 Q83 E84T23-G80 VanDerWaalsContact OG1-C 3.3Å; T23-G80 PolarHBondContact OG1-O 2.98Å; L75-G80 PolarHBondContact O-N 3.49Å; L76-G80 CarbonylContact O-C 3.56Å; L76-G80 WeakPolarHBondContact O-CA 3.38Å; L76-G80 PolarHBondContact O-N 3.24Å; G80-C82 PolarHBondContact O-N 3.48Å; G80-Q83 PolarHBondContact O-N 3.32Å; G80-Q83 VanDerWaalsContact O-N 3.11Å; G80-E84 WeakPolarHBondContact O-CB 3.43Å; G80-E84 PolarHBondContact O-N 3.08Å
81S86.4Confident87.9Confident14 Ų1422.6 Ų22.610%0.09812%0.116CC..Hα-helixtrans-57.3-36.7174.4-55.50000112.9L76 L77 L79 R85L76-S81 PolarHBondContact O-N 3.17Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.11Å; L77-S81 PolarHBondContact O-OG 3.48Å; L79-S81 PolarHBondContact O-N 3.19Å; S81-R85 WeakPolarHBondContact O-CB 3.47Å; S81-R85 VanDerWaalsContact O-CG 3.27Å; S81-R85 WeakPolarHBondContact O-CG 3.27Å; S81-R85 PolarHBondContact O-N 2.99Å
82C85Confident88.1Confident3 Ų320 Ų202%0.0210%0.102CC..Hα-helixtrans-74-40.6177.3-64.50000111.9L78 L79 G80 R85 R86L78-C82 PolarHBondContact O-SG 3.4Å; L79-C82 CarbonylContact O-C 3.52Å; L79-C82 WeakPolarHBondContact O-CA 3.27Å; L79-C82 WeakPolarHBondContact O-CB 3.29Å; L79-C82 PolarHBondContact O-N 3.5Å; G80-C82 PolarHBondContact O-N 3.48Å; C82-R85 PolarHBondContact O-N 3.17Å; C82-R86 WeakPolarHBondContact O-CB 3.23Å; C82-R86 PolarHBondContact O-N 3.46Å
83Q89.2Confident88.1Confident0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-64.2-45.9177.7-72166.2-4.400111L79 G80 R85 R86 W87 F92L79-Q83 VanDerWaalsContact O-CG 3.28Å; L79-Q83 WeakPolarHBondContact O-CG 3.32Å; L79-Q83 PolarHBondContact O-N 3.03Å; G80-Q83 PolarHBondContact O-N 3.32Å; G80-Q83 VanDerWaalsContact O-N 3.11Å; Q83-R85 PolarHBondContact O-N 3.34Å; Q83-R86 PolarHBondContact O-N 3.44Å; Q83-R86 VanDerWaalsContact O-N 3.14Å; Q83-W87 HydrophobicContact CB-CE3 4.03Å; Q83-W87 HydrophobicContact CB-CZ3 3.94Å; Q83-W87 HydrophobicContact CG-CH2 4.3Å; Q83-W87 HydrophobicContact CG-CZ3 4.02Å; Q83-W87 PolarHBondContact O-N 3.35Å; Q83-F92 HydrophobicContact CB-CD2 3.83Å; Q83-F92 HydrophobicContact CB-CE2 3.83Å; Q83-F92 VanDerWaalsContact OE1-CE2 3.25Å
84E89.9Confident88.1Confident0 Ų023.2 Ų23.20%012%0.118CC..Hα-helixtrans-61.4-43.4176-177.6162.7-171.500111.5C20 L21 V22 T23 G80 R86 G88 S89 F92 V209C20-E84 VanDerWaalsContact CA-CD 3.48Å; C20-E84 VanDerWaalsContact CA-OE2 3.32Å; C20-E84 WeakPolarHBondContact CA-OE2 3.32Å; C20-E84 WeakPolarHBondContact CB-OE2 3.31Å; L21-E84 PolarHBondContact N-OE1 3.2Å; V22-E84 WeakPolarHBondContact CB-OE1 3.37Å; V22-E84 PolarHBondContact N-OE1 2.87Å; T23-E84 WeakPolarHBondContact CB-OE2 3.49Å; T23-E84 PolarHBondContact N-OE2 3.41Å; T23-E84 PolarHBondContact OG1-OE2 3.48Å; G80-E84 WeakPolarHBondContact O-CB 3.43Å; G80-E84 PolarHBondContact O-N 3.08Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.44Å; E84-G88 CarbonylContact O-C 3.16Å; E84-G88 WeakPolarHBondContact O-CA 3.48Å; E84-G88 PolarHBondContact O-N 3.37Å; E84-S89 WeakPolarHBondContact CG-OG 3.28Å; E84-S89 VanDerWaalsContact OE1-CB 3.31Å; E84-S89 WeakPolarHBondContact OE1-CB 3.32Å; E84-S89 PolarHBondContact OE1-OG 3.01Å; E84-F92 HydrophobicContact CB-CB 4.47Å; E84-F92 HydrophobicContact CB-CD1 4Å; E84-F92 HydrophobicContact CB-CG 4.25Å; E84-F92 HydrophobicContact CG-CD1 4.41Å; E84-V209 HydrophobicContact CG-CG2 4.32Å
85R84.4Confident88.3Confident60 Ų6019.9 Ų19.923%0.22610%0.098CC..Hα-helixtrans-64.8-35.8173.7-74.5175.4-176.8-137.9-7.4113.1R9 R16 S81 C82 Q83 V209R9-R85 VanDerWaalsContact NH2-CZ 3.28Å; R16-R85 WeakPolarHBondContact CD-O 3.35Å; S81-R85 WeakPolarHBondContact O-CB 3.47Å; S81-R85 VanDerWaalsContact O-CG 3.27Å; S81-R85 WeakPolarHBondContact O-CG 3.27Å; S81-R85 PolarHBondContact O-N 2.99Å; C82-R85 PolarHBondContact O-N 3.17Å; Q83-R85 PolarHBondContact O-N 3.34Å; R85-V209 HydrophobicContact CG-CG2 4.5Å
86R83.8Confident88.6Confident50 Ų5019 Ų1919%0.1899%0.094CC..Hα-helixtrans-72.8-50.5-179-171.5177.7-168.5-179.33.5111.3R16 C82 Q83 E84 Q135 Q138 R214R16-R86 PolarHBondContact NH1-O 2.82Å; C82-R86 WeakPolarHBondContact O-CB 3.23Å; C82-R86 PolarHBondContact O-N 3.46Å; Q83-R86 PolarHBondContact O-N 3.44Å; Q83-R86 VanDerWaalsContact O-N 3.14Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.44Å; R86-Q135 VanDerWaalsContact NH1-CG 3.27Å; R86-Q135 PolarHBondContact NH1-O 2.85Å; R86-Q138 VanDerWaalsContact NH2-CB 3.32Å; R86-Q138 PolarHBondContact NH2-O 3.41Å; R86-R214 PolarHBondContact O-NH2 2.88Å
87W86Confident88.7Confident1 Ų122.1 Ų22.10%0.00411%0.11CC..Hα-helixtrans-95.4-19.5-170.6-60-34.7000113.9Q83 T91 F92 L95 L131 A134 Q135 I188 Q192 T211Q83-W87 HydrophobicContact CB-CE3 4.03Å; Q83-W87 HydrophobicContact CB-CZ3 3.94Å; Q83-W87 HydrophobicContact CG-CH2 4.3Å; Q83-W87 HydrophobicContact CG-CZ3 4.02Å; Q83-W87 PolarHBondContact O-N 3.35Å; W87-T91 HydrophobicContact CB-CG2 4.15Å; W87-F92 HydrophobicContact CE3-CD2 4.22Å; W87-F92 HydrophobicContact CZ3-CD2 4.38Å; W87-L95 HydrophobicContact CE3-CD2 3.95Å; W87-L95 HydrophobicContact CH2-CD2 3.94Å; W87-L95 HydrophobicContact CZ3-CD2 3.64Å; W87-L131 HydrophobicContact CH2-CB 4.31Å; W87-L131 WeakPolarHBondContact CH2-O 3.36Å; W87-L131 HydrophobicContact CZ3-CB 4.21Å; W87-L131 HydrophobicContact CZ3-CD2 4.2Å; W87-A134 HydrophobicContact CH2-CB 4.15Å; W87-A134 HydrophobicContact CZ2-CB 4.23Å; W87-Q135 HydrophobicContact CH2-CB 4.32Å; W87-Q135 HydrophobicContact CZ2-CB 4.09Å; W87-I188 HydrophobicContact CG-CG2 4.45Å; W87-I188 HydrophobicContact CZ2-CD1 4.49Å; W87-Q192 PolarHBondContact O-NE2 3.04Å; W87-T211 WeakPolarHBondContact O-CG2 3.46Å
88G86.6Confident88.9Confident0 Ų020.6 Ų20.60%010%0.102CC..  trans93.8154.6-167.500000111.2E84 F92 V209E84-G88 CarbonylContact O-C 3.16Å; E84-G88 WeakPolarHBondContact O-CA 3.48Å; E84-G88 PolarHBondContact O-N 3.37Å; G88-F92 WeakPolarHBondContact O-CB 3.45Å; G88-F92 PolarHBondContact O-N 2.88Å; G88-V209 WeakPolarHBondContact CA-O 3.38Å
89S87.3Confident89.3Confident2 Ų217.4 Ų17.41%0.0149%0.085CC..Hα-helixtrans-62.7-45.7-177.5-63.10000112.7E84 F92 L93 V209E84-S89 WeakPolarHBondContact CG-OG 3.28Å; E84-S89 VanDerWaalsContact OE1-CB 3.31Å; E84-S89 WeakPolarHBondContact OE1-CB 3.32Å; E84-S89 PolarHBondContact OE1-OG 3.01Å; S89-F92 PolarHBondContact O-N 3.49Å; S89-L93 WeakPolarHBondContact O-CB 3.17Å; S89-L93 PolarHBondContact O-N 2.91Å; S89-V209 PolarHBondContact N-O 3.01Å; S89-V209 PolarHBondContact OG-N 3.44Å
90V86.9Confident89.7Confident11 Ų1116.8 Ų16.87%0.0678%0.082CC..Hα-helixtrans-66.3-50.5-177.8174.30000110.9F92 L93 L94 E195 F200V90-F92 VanDerWaalsContact C-N 3.3Å; V90-F92 PolarHBondContact O-N 3.35Å; V90-L93 PolarHBondContact O-N 3.46Å; V90-L94 HydrophobicContact CG1-CD1 3.89Å; V90-L94 HydrophobicContact CG1-CG 4.36Å; V90-L94 WeakPolarHBondContact O-CB 3.15Å; V90-L94 WeakPolarHBondContact O-CG 3.2Å; V90-L94 PolarHBondContact O-N 3.32Å; V90-E195 HydrophobicContact CB-CB 4.24Å; V90-E195 HydrophobicContact CB-CG 3.92Å; V90-E195 HydrophobicContact CG1-CB 4.18Å; V90-E195 HydrophobicContact CG1-CG 4.28Å; V90-E195 HydrophobicContact CG2-CG 3.89Å; V90-F200 HydrophobicContact CB-CD2 4.33Å; V90-F200 HydrophobicContact CB-CE2 4.32Å; V90-F200 HydrophobicContact CG1-CD2 3.71Å; V90-F200 HydrophobicContact CG1-CE2 3.43Å; V90-F200 VanDerWaalsContact CG1-CE2 3.43Å; V90-F200 HydrophobicContact CG1-CZ 4.4Å; V90-F200 HydrophobicContact CG2-CD2 3.61Å; V90-F200 HydrophobicContact CG2-CE2 3.96Å; V90-F200 HydrophobicContact CG2-CG 4.08Å
91T89.5Confident89.9Confident0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-60.8-39.9177.2-53.70000111.8W87 L94 L95 I188 L191 Q192W87-T91 HydrophobicContact CB-CG2 4.15Å; T91-L94 PolarHBondContact O-N 3.05Å; T91-L95 WeakPolarHBondContact O-CB 3.5Å; T91-L95 PolarHBondContact O-N 3.25Å; T91-I188 HydrophobicContact CG2-CG2 4.22Å; T91-L191 HydrophobicContact CG2-CB 3.85Å; T91-L191 PolarHBondContact OG1-O 2.79Å; T91-Q192 HydrophobicContact CG2-CG 3.98Å; T91-Q192 WeakPolarHBondContact OG1-CG 3.41Å
92F91.9Very high90.2Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-62.3-42.9176173.9-115000112.1V22 L26 L76 Q83 E84 W87 G88 S89 V90 S96 L131V22-F92 HydrophobicContact CB-CD1 4.02Å; V22-F92 HydrophobicContact CB-CE1 4.39Å; V22-F92 HydrophobicContact CG1-CD1 3.58Å; V22-F92 HydrophobicContact CG1-CE1 3.79Å; L26-F92 HydrophobicContact CD1-CE1 4.13Å; L26-F92 HydrophobicContact CD1-CZ 4.49Å; L76-F92 HydrophobicContact CD2-CZ 4.48Å; Q83-F92 HydrophobicContact CB-CD2 3.83Å; Q83-F92 HydrophobicContact CB-CE2 3.83Å; Q83-F92 VanDerWaalsContact OE1-CE2 3.25Å; E84-F92 HydrophobicContact CB-CB 4.47Å; E84-F92 HydrophobicContact CB-CD1 4Å; E84-F92 HydrophobicContact CB-CG 4.25Å; E84-F92 HydrophobicContact CG-CD1 4.41Å; W87-F92 HydrophobicContact CE3-CD2 4.22Å; W87-F92 HydrophobicContact CZ3-CD2 4.38Å; G88-F92 WeakPolarHBondContact O-CB 3.45Å; G88-F92 PolarHBondContact O-N 2.88Å; S89-F92 PolarHBondContact O-N 3.49Å; V90-F92 VanDerWaalsContact C-N 3.3Å; V90-F92 PolarHBondContact O-N 3.35Å; F92-S96 WeakPolarHBondContact O-CB 3.2Å; F92-S96 PolarHBondContact O-N 2.99Å; F92-S96 PolarHBondContact O-OG 3.49Å; F92-L131 HydrophobicContact CD2-CD1 4.28Å; F92-L131 HydrophobicContact CE2-CD1 3.68Å
93L91.9Very high90.7Very high53 Ų5320.3 Ų20.328%0.27710%0.103SC..Hα-helixtrans-63.9-49175.7-178.164.1000111.7V22 S89 V90 L95 S96 I97V22-L93 HydrophobicContact CG1-CB 3.98Å; V22-L93 HydrophobicContact CG1-CD1 3.94Å; V22-L93 HydrophobicContact CG2-CB 4.29Å; S89-L93 WeakPolarHBondContact O-CB 3.17Å; S89-L93 PolarHBondContact O-N 2.91Å; V90-L93 PolarHBondContact O-N 3.46Å; L93-L95 PolarHBondContact O-N 2.91Å; L93-S96 WeakPolarHBondContact O-CB 3.11Å; L93-S96 PolarHBondContact O-N 3.22Å; L93-I97 HydrophobicContact CD1-CD1 4.19Å; L93-I97 HydrophobicContact CG-CD1 3.95Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.19Å
94L91.9Very high90.7Very high39 Ų3920.5 Ų20.520%0.20411%0.105CC..Hα-helixtrans-60.6-44.9178.4-73.6173.1000111.5V90 T91 S96 I97 I98 L191 L194V90-L94 HydrophobicContact CG1-CD1 3.89Å; V90-L94 HydrophobicContact CG1-CG 4.36Å; V90-L94 WeakPolarHBondContact O-CB 3.15Å; V90-L94 WeakPolarHBondContact O-CG 3.2Å; V90-L94 PolarHBondContact O-N 3.32Å; T91-L94 PolarHBondContact O-N 3.05Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.62Å; L94-I97 PolarHBondContact O-N 2.96Å; L94-I98 WeakPolarHBondContact O-CB 3.25Å; L94-I98 VanDerWaalsContact O-CG1 3.23Å; L94-I98 WeakPolarHBondContact O-CG1 3.25Å; L94-I98 PolarHBondContact O-N 2.8Å; L94-L191 HydrophobicContact CD1-CD2 4.46Å; L94-L194 HydrophobicContact CD1-CD2 3.88Å
95L93.7Very high90.7Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-64.3-37.2178.5-16265.5000111W87 T91 L93 T99 L131 Y183 F187 I188 L191W87-L95 HydrophobicContact CE3-CD2 3.95Å; W87-L95 HydrophobicContact CH2-CD2 3.94Å; W87-L95 HydrophobicContact CZ3-CD2 3.64Å; T91-L95 WeakPolarHBondContact O-CB 3.5Å; T91-L95 PolarHBondContact O-N 3.25Å; L93-L95 PolarHBondContact O-N 2.91Å; L95-T99 WeakPolarHBondContact O-CB 3.27Å; L95-T99 PolarHBondContact O-N 3.32Å; L95-T99 PolarHBondContact O-OG1 2.87Å; L95-L131 HydrophobicContact CB-CD2 4.12Å; L95-L131 HydrophobicContact CD2-CD2 3.61Å; L95-L131 HydrophobicContact CG-CD2 3.57Å; L95-Y183 HydrophobicContact CD1-CD1 3.96Å; L95-Y183 HydrophobicContact CD1-CD2 3.7Å; L95-Y183 HydrophobicContact CD1-CE1 3.89Å; L95-Y183 HydrophobicContact CD1-CE2 3.61Å; L95-Y183 HydrophobicContact CD1-CG 3.89Å; L95-Y183 HydrophobicContact CD2-CD2 4.08Å; L95-Y183 HydrophobicContact CD2-CE2 4.36Å; L95-Y183 HydrophobicContact CG-CD2 4.02Å; L95-Y183 HydrophobicContact CG-CE2 3.83Å; L95-F187 HydrophobicContact CD1-CE1 3.98Å; L95-I188 HydrophobicContact CD2-CD1 4.36Å; L95-I188 HydrophobicContact CD2-CG1 4.49Å; L95-L191 HydrophobicContact CD1-CD1 3.92Å
96S94.1Very high91.1Very high2 Ų227.3 Ų27.31%0.01414%0.138CC..Hα-helixtrans-62.7-48.2172.8-58.50000111.7F92 L93 L94 I98 T99 I100 L131F92-S96 WeakPolarHBondContact O-CB 3.2Å; F92-S96 PolarHBondContact O-N 2.99Å; F92-S96 PolarHBondContact O-OG 3.49Å; L93-S96 WeakPolarHBondContact O-CB 3.11Å; L93-S96 PolarHBondContact O-N 3.22Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.62Å; S96-I98 PolarHBondContact O-N 2.57Å; S96-T99 WeakPolarHBondContact O-CB 3.26Å; S96-T99 PolarHBondContact O-N 3.45Å; S96-I100 WeakPolarHBondContact O-CG1 3.31Å; S96-I100 PolarHBondContact O-N 3.19Å; S96-L131 WeakPolarHBondContact OG-CD1 3.31Å
97I93.3Very high91.4Very high65 Ų6525.2 Ų25.233%0.33313%0.13SC..Hα-helixtrans-59.6-46.2177.5-75.6168.6000111.6F57 L93 L94 T99 I100 T101F57-I97 HydrophobicContact CE1-CG2 4.05Å; L93-I97 HydrophobicContact CD1-CD1 4.19Å; L93-I97 HydrophobicContact CG-CD1 3.95Å; L93-I97 WeakPolarHBondContact O-CG1 3.39Å; L93-I97 PolarHBondContact O-N 3.19Å; L94-I97 PolarHBondContact O-N 2.96Å; I97-T99 VanDerWaalsContact C-N 3.33Å; I97-T99 PolarHBondContact O-N 3.4Å; I97-I100 PolarHBondContact O-N 3.37Å; I97-T101 PolarHBondContact O-N 2.95Å; I97-T101 PolarHBondContact O-OG1 2.98Å
98I94.5Very high91.5Very high44 Ų4427.5 Ų27.523%0.22614%0.144CC..Hα-helixtrans-63.7-42.4176.8-67.1165.6000109.9L94 S96 T101 T102 F187 L191L94-I98 WeakPolarHBondContact O-CB 3.25Å; L94-I98 VanDerWaalsContact O-CG1 3.23Å; L94-I98 WeakPolarHBondContact O-CG1 3.25Å; L94-I98 PolarHBondContact O-N 2.8Å; S96-I98 PolarHBondContact O-N 2.57Å; I98-T101 PolarHBondContact O-OG1 3.15Å; I98-T102 HydrophobicContact CG2-CG2 4.05Å; I98-T102 VanDerWaalsContact O-CB 3.3Å; I98-T102 WeakPolarHBondContact O-CB 3.26Å; I98-T102 VanDerWaalsContact O-CG2 3.26Å; I98-T102 WeakPolarHBondContact O-CG2 3.36Å; I98-T102 PolarHBondContact O-N 3.44Å; I98-T102 PolarHBondContact O-OG1 3.42Å; I98-F187 HydrophobicContact CD1-CZ 4.2Å; I98-L191 HydrophobicContact CD1-CD1 4.12Å; I98-L191 HydrophobicContact CD1-CD2 4.03Å
99T95.1Very high91.7Very high0 Ų031.8 Ų31.80%017%0.167CC..Hα-helixtrans-62.3-47.3177.6-550000111.2L95 S96 I97 T101 T102 L103 I127 A130 Y183L95-T99 WeakPolarHBondContact O-CB 3.27Å; L95-T99 PolarHBondContact O-N 3.32Å; L95-T99 PolarHBondContact O-OG1 2.87Å; S96-T99 WeakPolarHBondContact O-CB 3.26Å; S96-T99 PolarHBondContact O-N 3.45Å; I97-T99 VanDerWaalsContact C-N 3.33Å; I97-T99 PolarHBondContact O-N 3.4Å; T99-T101 VanDerWaalsContact C-N 3.32Å; T99-T101 PolarHBondContact O-N 3.05Å; T99-T102 PolarHBondContact O-OG1 3.28Å; T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 3.12Å; T99-I127 HydrophobicContact CG2-CB 4.41Å; T99-I127 HydrophobicContact CG2-CG1 4.43Å; T99-I127 HydrophobicContact CG2-CG2 4.07Å; T99-A130 HydrophobicContact CG2-CB 3.57Å; T99-Y183 WeakPolarHBondContact CA-OH 3.46Å; T99-Y183 PolarHBondContact N-OH 3.37Å; T99-Y183 WeakPolarHBondContact OG1-CE2 3.25Å; T99-Y183 PolarHBondContact OG1-OH 3.46Å
100I94.3Very high91.8Very high8 Ų833.6 Ų33.64%0.04118%0.178CC..Hα-helixtrans-56-47.6-179.2-72.2164.8000111.3V56 F57 Y59 A60 S96 I97 A104 F124 I127V56-I100 WeakPolarHBondContact O-CG2 3.48Å; F57-I100 HydrophobicContact CD1-CG2 4.24Å; Y59-I100 HydrophobicContact CE1-CG2 3.76Å; Y59-I100 PolarHBondContact OH-O 3.44Å; A60-I100 HydrophobicContact CB-CD1 3.98Å; A60-I100 HydrophobicContact CB-CG1 3.72Å; A60-I100 HydrophobicContact CB-CG2 4.05Å; S96-I100 WeakPolarHBondContact O-CG1 3.31Å; S96-I100 PolarHBondContact O-N 3.19Å; I97-I100 PolarHBondContact O-N 3.37Å; I100-A104 PolarHBondContact O-N 3.31Å; I100-F124 HydrophobicContact CD1-CE2 4.32Å; I100-I127 HydrophobicContact CG1-CD1 4.4Å; I100-I127 HydrophobicContact CG1-CG1 3.61Å; I100-I127 HydrophobicContact CG1-CG2 4.43Å
101T92.6Very high91.9Very high47 Ų4733.5 Ų33.529%0.28818%0.177SC..Hα-helixtrans-72.5-48.6-177.749.80000112.4V56 F57 I97 I98 T99 L103 A104 F105V56-T101 HydrophobicContact CG1-CG2 4.19Å; F57-T101 HydrophobicContact CE1-CG2 3.56Å; F57-T101 HydrophobicContact CZ-CG2 3.58Å; I97-T101 PolarHBondContact O-N 2.95Å; I97-T101 PolarHBondContact O-OG1 2.98Å; I98-T101 PolarHBondContact O-OG1 3.15Å; T99-T101 VanDerWaalsContact C-N 3.32Å; T99-T101 PolarHBondContact O-N 3.05Å; T101-L103 PolarHBondContact O-N 2.96Å; T101-A104 PolarHBondContact O-N 3.43Å; T101-F105 PolarHBondContact O-N 2.9Å; T101-F105 VanDerWaalsContact O-N 3.15Å
102T93.1Very high91.7Very high44 Ų4440.8 Ų40.827%0.2721%0.209SC..Hα-helixtrans-66.3-37.4179.654.80000112.4I98 T99 F105 I106I98-T102 HydrophobicContact CG2-CG2 4.05Å; I98-T102 VanDerWaalsContact O-CB 3.3Å; I98-T102 WeakPolarHBondContact O-CB 3.26Å; I98-T102 VanDerWaalsContact O-CG2 3.26Å; I98-T102 WeakPolarHBondContact O-CG2 3.36Å; I98-T102 PolarHBondContact O-N 3.44Å; I98-T102 PolarHBondContact O-OG1 3.42Å; T99-T102 PolarHBondContact O-OG1 3.28Å; T102-F105 PolarHBondContact O-N 3.35Å; T102-I106 WeakPolarHBondContact O-CB 3.45Å; T102-I106 VanDerWaalsContact O-CG1 3.3Å; T102-I106 WeakPolarHBondContact O-CG1 3.28Å; T102-I106 PolarHBondContact O-N 3.31Å
103L93.7Very high91.6Very high0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-64.9-45.5178.2-179.761.8000111.6T99 T101 F105 I106 Y107 A126 I127 L172 C175 A176 I179T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 3.12Å; T101-L103 PolarHBondContact O-N 2.96Å; L103-F105 VanDerWaalsContact C-N 3.34Å; L103-F105 PolarHBondContact O-N 3.11Å; L103-I106 PolarHBondContact O-N 3.44Å; L103-Y107 WeakPolarHBondContact O-CB 3.17Å; L103-Y107 PolarHBondContact O-N 3.13Å; L103-A126 HydrophobicContact CD2-CB 3.69Å; L103-I127 HydrophobicContact CD2-CD1 4.27Å; L103-L172 HydrophobicContact CD1-CD1 3.96Å; L103-L172 HydrophobicContact CD2-CD1 4.09Å; L103-L172 HydrophobicContact CD2-CG 4.39Å; L103-L172 HydrophobicContact CG-CD1 3.85Å; L103-C175 HydrophobicContact CD1-CB 3.7Å; L103-A176 HydrophobicContact CD1-CB 4.05Å; L103-A176 HydrophobicContact CD2-CB 4.24Å; L103-I179 VanDerWaalsContact CA-CD1 3.43Å; L103-I179 HydrophobicContact CB-CD1 3.76Å; L103-I179 HydrophobicContact CD1-CD1 3.75Å; L103-I179 HydrophobicContact CG-CD1 4.37Å
104A90.6Very high91.3Very high5 Ų548.4 Ų48.44%0.04126%0.257CS..Hα-helixtrans-56.6-50.3174.500000110.5L42 V56 Y59 I100 T101 Y107 T108L42-A104 HydrophobicContact CD2-CB 3.68Å; V56-A104 HydrophobicContact CG1-CB 4.28Å; Y59-A104 HydrophobicContact CE1-CB 4.07Å; I100-A104 PolarHBondContact O-N 3.31Å; T101-A104 PolarHBondContact O-N 3.43Å; A104-Y107 PolarHBondContact O-N 2.84Å; A104-T108 WeakPolarHBondContact O-CG2 3.05Å; A104-T108 PolarHBondContact O-N 3.08Å
105F89.9Confident90.7Very high137 Ų13749.5 Ų49.560%0.60128%0.278SS*.Hα-helixtrans-63-48.6-179.4-176.1-100000112.9T101 T102 L103 Y107 T108 L109T101-F105 PolarHBondContact O-N 2.9Å; T101-F105 VanDerWaalsContact O-N 3.15Å; T102-F105 PolarHBondContact O-N 3.35Å; L103-F105 VanDerWaalsContact C-N 3.34Å; L103-F105 PolarHBondContact O-N 3.11Å; F105-Y107 VanDerWaalsContact C-N 3.33Å; F105-Y107 PolarHBondContact O-N 3.09Å; F105-T108 PolarHBondContact O-N 3.33Å; F105-T108 PolarHBondContact O-OG1 2.85Å; F105-L109 HydrophobicContact CE1-CD1 4.45Å; F105-L109 PolarHBondContact O-N 3.1Å
106I91.8Very high89.9Confident65 Ų6550.4 Ų50.433%0.33329%0.287SS..Hα-helixtrans-63.7-41.9-179.9-70.7166.6000110.4T102 L103 L109 V110 C175 I179T102-I106 WeakPolarHBondContact O-CB 3.45Å; T102-I106 VanDerWaalsContact O-CG1 3.3Å; T102-I106 WeakPolarHBondContact O-CG1 3.28Å; T102-I106 PolarHBondContact O-N 3.31Å; L103-I106 PolarHBondContact O-N 3.44Å; I106-L109 PolarHBondContact O-N 2.91Å; I106-V110 HydrophobicContact CG2-CG2 4.36Å; I106-V110 VanDerWaalsContact O-CG2 3.32Å; I106-V110 WeakPolarHBondContact O-CG2 3.3Å; I106-V110 PolarHBondContact O-N 3.17Å; I106-C175 HydrophobicContact CG2-CB 4.25Å; I106-I179 HydrophobicContact CD1-CD1 3.7Å; I106-I179 HydrophobicContact CD1-CG1 3.58Å
107Y90.9Very high89.3Confident6 Ų658.7 Ų58.72%0.02433%0.326CS..Hα-helixtrans-64.1-40.3176.5-175.3-113.2000112.1V44 L103 A104 F105 L109 V110 L111 S119 I121 L171 L172V44-Y107 HydrophobicContact CB-CD1 4.22Å; V44-Y107 HydrophobicContact CB-CE1 4.37Å; V44-Y107 HydrophobicContact CG1-CD1 3.91Å; V44-Y107 HydrophobicContact CG1-CE1 4.35Å; L103-Y107 WeakPolarHBondContact O-CB 3.17Å; L103-Y107 PolarHBondContact O-N 3.13Å; A104-Y107 PolarHBondContact O-N 2.84Å; F105-Y107 VanDerWaalsContact C-N 3.33Å; F105-Y107 PolarHBondContact O-N 3.09Å; Y107-L109 VanDerWaalsContact C-N 3.29Å; Y107-L109 PolarHBondContact O-N 3.4Å; Y107-V110 PolarHBondContact O-N 2.93Å; Y107-L111 HydrophobicContact CD1-CD1 4Å; Y107-L111 HydrophobicContact CE1-CD1 3.4Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.4Å; Y107-L111 HydrophobicContact CE1-CG 4.18Å; Y107-L111 HydrophobicContact CE2-CD1 4.22Å; Y107-L111 HydrophobicContact CE2-CD2 4.41Å; Y107-L111 HydrophobicContact CE2-CG 4.15Å; Y107-L111 PolarHBondContact O-N 3.08Å; Y107-S119 WeakPolarHBondContact OH-CB 3.46Å; Y107-S119 PolarHBondContact OH-OG 2.84Å; Y107-S119 VanDerWaalsContact OH-OG 3.1Å; Y107-I121 HydrophobicContact CD1-CD1 3.92Å; Y107-I121 HydrophobicContact CD1-CG2 4.16Å; Y107-I121 HydrophobicContact CE1-CD1 4.3Å; Y107-I121 HydrophobicContact CE1-CG2 3.48Å; Y107-I121 VanDerWaalsContact CE1-CG2 3.48Å; Y107-L171 HydrophobicContact CE2-CB 4.02Å; Y107-L172 HydrophobicContact CD1-CD1 3.92Å; Y107-L172 HydrophobicContact CD2-CB 4.1Å; Y107-L172 HydrophobicContact CD2-CD1 3.9Å; Y107-L172 HydrophobicContact CE1-CD1 4.43Å; Y107-L172 HydrophobicContact CE2-CB 3.99Å; Y107-L172 HydrophobicContact CE2-CD1 4.42Å; Y107-L172 HydrophobicContact CG-CD1 3.62Å
108T88.6Confident88.7Confident49 Ų4957.9 Ų57.930%0.30133%0.328SS..Hα-helixtrans-57.5-43.6172.971.70000111.8V44 A104 F105 L111 F112V44-T108 HydrophobicContact CB-CG2 4.18Å; V44-T108 HydrophobicContact CG1-CG2 3.17Å; V44-T108 HydrophobicContact CG2-CG2 3.97Å; A104-T108 WeakPolarHBondContact O-CG2 3.05Å; A104-T108 PolarHBondContact O-N 3.08Å; F105-T108 PolarHBondContact O-N 3.33Å; F105-T108 PolarHBondContact O-OG1 2.85Å; T108-L111 PolarHBondContact O-N 3.05Å; T108-F112 WeakPolarHBondContact O-CB 3.24Å; T108-F112 PolarHBondContact O-N 3.48Å
109L89.4Confident88.2Confident91 Ų9157.3 Ų57.348%0.47633%0.328SS..Hα-helixtrans-70-41.9-176.9-173.4146.6000110.7F105 I106 Y107 F112 V113F105-L109 HydrophobicContact CE1-CD1 4.45Å; F105-L109 PolarHBondContact O-N 3.1Å; I106-L109 PolarHBondContact O-N 2.91Å; Y107-L109 VanDerWaalsContact C-N 3.29Å; Y107-L109 PolarHBondContact O-N 3.4Å; L109-F112 PolarHBondContact O-N 3.34Å; L109-V113 HydrophobicContact CD2-CG2 4.06Å; L109-V113 VanDerWaalsContact O-CG2 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 2.93Å
110V90.1Very high87.8Confident40 Ų4063.2 Ų63.224%0.24235%0.351CS..Hα-helixtrans-62.4-44.9175.9170.60000111I106 Y107 F112 V113 V114I106-V110 HydrophobicContact CG2-CG2 4.36Å; I106-V110 VanDerWaalsContact O-CG2 3.32Å; I106-V110 WeakPolarHBondContact O-CG2 3.3Å; I106-V110 PolarHBondContact O-N 3.17Å; Y107-V110 PolarHBondContact O-N 2.93Å; V110-F112 VanDerWaalsContact C-N 3.3Å; V110-F112 PolarHBondContact O-N 3.18Å; V110-V113 PolarHBondContact O-N 3.12Å; V110-V114 HydrophobicContact CG1-CG2 4.08Å; V110-V114 WeakPolarHBondContact O-CB 3.45Å; V110-V114 VanDerWaalsContact O-CG2 3.24Å; V110-V114 WeakPolarHBondContact O-CG2 3.3Å; V110-V114 PolarHBondContact O-N 2.94Å
111L88Confident87.5Confident8 Ų863 Ų634%0.04235%0.349CS..Hα-helixtrans-63-37.9177-75.7-178.8000112.3V44 Y107 T108 G115 G116V44-L111 HydrophobicContact CG1-CD1 4.04Å; V44-L111 VanDerWaalsContact O-CD1 3.31Å; V44-L111 WeakPolarHBondContact O-CD1 3.37Å; Y107-L111 HydrophobicContact CD1-CD1 4Å; Y107-L111 HydrophobicContact CE1-CD1 3.4Å; Y107-L111 VanDerWaalsContact CE1-CD1 3.4Å; Y107-L111 HydrophobicContact CE1-CG 4.18Å; Y107-L111 HydrophobicContact CE2-CD1 4.22Å; Y107-L111 HydrophobicContact CE2-CD2 4.41Å; Y107-L111 HydrophobicContact CE2-CG 4.15Å; Y107-L111 PolarHBondContact O-N 3.08Å; T108-L111 PolarHBondContact O-N 3.05Å; L111-G115 PolarHBondContact O-N 3.2Å; L111-G115 VanDerWaalsContact O-N 3.07Å; L111-G116 PolarHBondContact O-N 3.08Å
112F86.6Confident87.3Confident154 Ų15462.5 Ų62.568%0.67535%0.348SS*.Hα-helixtrans-65.7-43.1175.5-169.5-96.1000112.4T108 L109 V110 G115T108-F112 WeakPolarHBondContact O-CB 3.24Å; T108-F112 PolarHBondContact O-N 3.48Å; L109-F112 PolarHBondContact O-N 3.34Å; V110-F112 VanDerWaalsContact C-N 3.3Å; V110-F112 PolarHBondContact O-N 3.18Å; F112-G115 PolarHBondContact O-N 3.32Å
113V89.1Confident87.1Confident112 Ų11260.7 Ų60.768%0.67934%0.337SS*.Hα-helixtrans-70.4-40.4-179.9171.30000112.1L109 V110 G115L109-V113 HydrophobicContact CD2-CG2 4.06Å; L109-V113 VanDerWaalsContact O-CG2 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.43Å; L109-V113 PolarHBondContact O-N 2.93Å; V110-V113 PolarHBondContact O-N 3.12Å; V113-G115 PolarHBondContact O-N 3.44Å
114V86.3Confident87Confident101 Ų10160.7 Ų60.761%0.61234%0.337SS*.Hα-helixtrans-75.5-15.9179.5175.90000111.4V110 G116V110-V114 HydrophobicContact CG1-CG2 4.08Å; V110-V114 WeakPolarHBondContact O-CB 3.45Å; V110-V114 VanDerWaalsContact O-CG2 3.24Å; V110-V114 WeakPolarHBondContact O-CG2 3.3Å; V110-V114 PolarHBondContact O-N 2.94Å; V114-G116 VanDerWaalsContact C-N 3.29Å
115G79.6Confident87Confident61 Ų6161.9 Ų61.963%0.62935%0.345SS*.THydrogen-bonded Turntrans68.830.2-173.700000112.3L111 F112 V113L111-G115 PolarHBondContact O-N 3.2Å; L111-G115 VanDerWaalsContact O-N 3.07Å; F112-G115 PolarHBondContact O-N 3.32Å; V113-G115 PolarHBondContact O-N 3.44Å
116G76.8Confident87.1Confident20 Ų2055.4 Ų55.421%0.20632%0.317CS..PPolyproline II helixtrans-74156.8178.500000112.1P46 L111 V114P46-G116 WeakPolarHBondContact CD-O 3.47Å; P46-G116 WeakPolarHBondContact CG-O 3.35Å; L111-G116 PolarHBondContact O-N 3.08Å; V114-G116 VanDerWaalsContact C-N 3.29Å
117E80.7Confident87.2Confident176 Ų17652.3 Ų52.382%0.82230%0.301SS*.PPolyproline II helixtrans-67.6160.6174.5-64.5-176.2168.400112S119E117-S119 PolarHBondContact O-N 3.41Å
118A81.7Confident87.2Confident47 Ų4752.1 Ų52.139%0.38830%0.301SS..PPolyproline II helixtrans-59.4120.517300000110.2V44V44-A118 CarbonylContact O-C 3.56Å; V44-A118 WeakPolarHBondContact O-CA 3.46Å
119S83.5Confident87.4Confident32 Ų3249.9 Ų49.922%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-110.2133.2-178.1-1800000110.1V44 Y107 E117V44-S119 PolarHBondContact N-O 3.49Å; V44-S119 PolarHBondContact O-N 3.22Å; Y107-S119 WeakPolarHBondContact OH-CB 3.46Å; Y107-S119 PolarHBondContact OH-OG 2.84Å; Y107-S119 VanDerWaalsContact OH-OG 3.1Å; E117-S119 PolarHBondContact O-N 3.41Å
120R86.3Confident87.7Confident125 Ų12545.6 Ų45.647%0.47226%0.264SS..EExtended strand (participates in β ladder)trans-85122.3173.1-173.8177.8-179-115.8-10.6108.6S41 L42 D64S41-R120 PolarHBondContact OG-NE 3.45Å; S41-R120 PolarHBondContact OG-NH2 2.86Å; L42-R120 WeakPolarHBondContact O-CA 3.26Å; D64-R120 IonicContact OD1-CZ 3.69Å; D64-R120 IonicContact OD1-NH1 3.57Å; D64-R120 IonicContact OD1-NH2 2.97Å; D64-R120 PolarHBondContact OD1-NH2 3.27Å; D64-R120 IonicContact OD2-CZ 3.26Å; D64-R120 VanDerWaalsContact OD2-CZ 3.26Å; D64-R120 IonicContact OD2-NH1 2.73Å; D64-R120 PolarHBondContact OD2-NH1 3.18Å; D64-R120 IonicContact OD2-NH2 3.31Å; D64-R120 PolarHBondContact OD2-NH2 2.91Å
121I88.1Confident87.8Confident2 Ų243.7 Ų43.71%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-118.4139.3177.264.8172.2000111.3L42 V44 Y59 Y107 P169 L172L42-I121 HydrophobicContact CB-CD1 4.35Å; L42-I121 HydrophobicContact CB-CG1 3.75Å; L42-I121 HydrophobicContact CD2-CD1 4.19Å; L42-I121 HydrophobicContact CD2-CG1 4.48Å; L42-I121 PolarHBondContact N-O 3.44Å; L42-I121 PolarHBondContact O-N 2.77Å; V44-I121 HydrophobicContact CG2-CD1 4.2Å; V44-I121 HydrophobicContact CG2-CG1 4.41Å; Y59-I121 HydrophobicContact CD2-CD1 4.17Å; Y59-I121 HydrophobicContact CD2-CG1 4.05Å; Y59-I121 HydrophobicContact CE2-CD1 3.91Å; Y59-I121 HydrophobicContact CE2-CG1 4.28Å; Y107-I121 HydrophobicContact CD1-CD1 3.92Å; Y107-I121 HydrophobicContact CD1-CG2 4.16Å; Y107-I121 HydrophobicContact CE1-CD1 4.3Å; Y107-I121 HydrophobicContact CE1-CG2 3.48Å; Y107-I121 VanDerWaalsContact CE1-CG2 3.48Å; I121-P169 HydrophobicContact CG2-CG 4.25Å; I121-L172 HydrophobicContact CB-CD2 4.18Å; I121-L172 HydrophobicContact CD1-CD1 3.94Å; I121-L172 HydrophobicContact CG2-CD2 4.1Å
122C88.3Confident88Confident38 Ų3844 Ų4426%0.25725%0.254SS..  trans-151.6157.9173.1640000109.9Y59 D64Y59-C122 CarbonylContact O-C 3.58Å; Y59-C122 VanDerWaalsContact O-CA 3.3Å; Y59-C122 WeakPolarHBondContact O-CA 3.14Å; D64-C122 PolarHBondContact OD2-SG 2.87Å
123G89.6Confident88.2Confident5 Ų536.6 Ų36.65%0.05222%0.222CC..  trans103.1154.2170.200000116.2Y59 A60 S62Y59-G123 PolarHBondContact O-N 3.35Å; A60-G123 CarbonylContact O-C 3.55Å; S62-G123 WeakPolarHBondContact O-CA 3.44Å; S62-G123 PolarHBondContact O-N 2.94Å
124F90.9Very high88.3Confident0 Ų031.3 Ų31.30%019%0.189CC..SBendtrans-87.4-7.9-172.1-157.6-109.6000114.2L26 M30 A60 L61 H63 L76 I100 A126 I127 Q128L26-F124 HydrophobicContact CD1-CZ 4.16Å; M30-F124 HydrophobicContact SD-CB 3.76Å; M30-F124 HydrophobicContact SD-CG 4.17Å; A60-F124 HydrophobicContact CB-CD2 4.28Å; A60-F124 WeakPolarHBondContact O-CA 3.46Å; A60-F124 WeakPolarHBondContact O-CB 3.46Å; A60-F124 WeakPolarHBondContact O-CD2 3.34Å; A60-F124 PolarHBondContact O-N 3.2Å; L61-F124 HydrophobicContact CD2-CD2 4.17Å; L61-F124 HydrophobicContact CD2-CE2 4.36Å; H63-F124 PolarHBondContact NE2-N 3.41Å; L76-F124 HydrophobicContact CD1-CD1 3.61Å; L76-F124 HydrophobicContact CD1-CE1 3.93Å; L76-F124 HydrophobicContact CD1-CG 4.44Å; L76-F124 HydrophobicContact CD2-CD1 4.29Å; L76-F124 HydrophobicContact CD2-CE1 3.78Å; L76-F124 HydrophobicContact CG-CD1 3.98Å; L76-F124 HydrophobicContact CG-CE1 3.98Å; I100-F124 HydrophobicContact CD1-CE2 4.32Å; F124-A126 PolarHBondContact O-N 2.93Å; F124-I127 HydrophobicContact CD2-CB 4.1Å; F124-I127 HydrophobicContact CD2-CG1 4.26Å; F124-I127 HydrophobicContact CD2-CG2 4.38Å; F124-I127 HydrophobicContact CE1-CB 4.48Å; F124-I127 HydrophobicContact CE1-CG2 4.24Å; F124-I127 HydrophobicContact CE2-CB 3.95Å; F124-I127 HydrophobicContact CE2-CG1 4.24Å; F124-I127 HydrophobicContact CE2-CG2 3.72Å; F124-I127 HydrophobicContact CG-CB 4.45Å; F124-I127 HydrophobicContact CZ-CB 4.14Å; F124-I127 HydrophobicContact CZ-CG2 3.63Å; F124-I127 WeakPolarHBondContact O-CB 3.4Å; F124-I127 PolarHBondContact O-N 3.46Å; F124-Q128 HydrophobicContact CD1-CG 3.5Å; F124-Q128 HydrophobicContact CE1-CG 3.67Å; F124-Q128 PolarHBondContact O-N 2.98Å
125S90.6Very high88.4Confident30 Ų3026.5 Ų26.521%0.2116%0.16CC..Hα-helixtrans-63-38-171.8580000113.1Q128 L129 H173S125-Q128 PolarHBondContact O-N 3.36Å; S125-L129 WeakPolarHBondContact O-CB 3.4Å; S125-L129 PolarHBondContact O-N 3.18Å; S125-H173 PolarHBondContact OG-CE1 3.28Å
126A91.8Very high88.7Confident1 Ų123.6 Ų23.61%0.00813%0.13CC..Hα-helixtrans-67.6-38.7176.700000111.9L103 F124 L129 A130 L172 A176L103-A126 HydrophobicContact CD2-CB 3.69Å; F124-A126 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 2.73Å; A126-A130 PolarHBondContact O-N 2.96Å; A126-L172 HydrophobicContact CB-CD2 4.01Å; A126-L172 HydrophobicContact CB-CG 4.09Å; A126-A176 HydrophobicContact CB-CB 4.21Å; A126-A176 VanDerWaalsContact O-CB 3.24Å; A126-A176 WeakPolarHBondContact O-CB 3.39Å
127I93.4Very high89Confident0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-63.4-47.7175.8-63.267.6000109.3A60 T99 I100 L103 F124 L129 A130 L131A60-I127 HydrophobicContact CB-CD1 3.74Å; A60-I127 HydrophobicContact CB-CG1 4.22Å; T99-I127 HydrophobicContact CG2-CB 4.41Å; T99-I127 HydrophobicContact CG2-CG1 4.43Å; T99-I127 HydrophobicContact CG2-CG2 4.07Å; I100-I127 HydrophobicContact CG1-CD1 4.4Å; I100-I127 HydrophobicContact CG1-CG1 3.61Å; I100-I127 HydrophobicContact CG1-CG2 4.43Å; L103-I127 HydrophobicContact CD2-CD1 4.27Å; F124-I127 HydrophobicContact CD2-CB 4.1Å; F124-I127 HydrophobicContact CD2-CG1 4.26Å; F124-I127 HydrophobicContact CD2-CG2 4.38Å; F124-I127 HydrophobicContact CE1-CB 4.48Å; F124-I127 HydrophobicContact CE1-CG2 4.24Å; F124-I127 HydrophobicContact CE2-CB 3.95Å; F124-I127 HydrophobicContact CE2-CG1 4.24Å; F124-I127 HydrophobicContact CE2-CG2 3.72Å; F124-I127 HydrophobicContact CG-CB 4.45Å; F124-I127 HydrophobicContact CZ-CB 4.14Å; F124-I127 HydrophobicContact CZ-CG2 3.63Å; F124-I127 WeakPolarHBondContact O-CB 3.4Å; F124-I127 PolarHBondContact O-N 3.46Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.28Å; I127-A130 WeakPolarHBondContact O-CB 3.18Å; I127-A130 PolarHBondContact O-N 3.46Å; I127-A130 VanDerWaalsContact O-N 3.17Å; I127-L131 HydrophobicContact CG2-CD1 4.13Å; I127-L131 HydrophobicContact CG2-CG 4.44Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 3.27Å
128Q92.6Very high88.9Confident3 Ų319.1 Ų19.11%0.01410%0.101CC..Hα-helixtrans-56.7-42.2175.4-82.7-66.6-23.100112.5L76 F124 S125 L131 F132L76-Q128 HydrophobicContact CG-CG 4.43Å; L76-Q128 VanDerWaalsContact CG-NE2 3.28Å; F124-Q128 HydrophobicContact CD1-CG 3.5Å; F124-Q128 HydrophobicContact CE1-CG 3.67Å; F124-Q128 PolarHBondContact O-N 2.98Å; S125-Q128 PolarHBondContact O-N 3.36Å; Q128-L131 PolarHBondContact O-N 3.42Å; Q128-F132 WeakPolarHBondContact O-CB 3.25Å; Q128-F132 PolarHBondContact O-N 2.86Å
129L92.4Very high88.5Confident2 Ų217.4 Ų17.41%0.019%0.087CC..Hα-helixtrans-63.1-45.1176.8-175.354000111.8S125 A126 I127 L131 F132 T133 P154 F157 L158 H173 I177S125-L129 WeakPolarHBondContact O-CB 3.4Å; S125-L129 PolarHBondContact O-N 3.18Å; A126-L129 PolarHBondContact O-N 2.73Å; I127-L129 VanDerWaalsContact C-N 3.28Å; I127-L129 PolarHBondContact O-N 3.28Å; L129-L131 PolarHBondContact O-N 2.89Å; L129-F132 HydrophobicContact CD1-CD1 4.49Å; L129-F132 PolarHBondContact O-N 3.11Å; L129-T133 HydrophobicContact CD1-CG2 4.27Å; L129-T133 HydrophobicContact CG-CG2 4.43Å; L129-T133 WeakPolarHBondContact O-CG2 3.25Å; L129-T133 PolarHBondContact O-N 3.03Å; L129-P154 HydrophobicContact CD1-CB 4.25Å; L129-F157 HydrophobicContact CD1-CB 4.35Å; L129-F157 HydrophobicContact CD1-CD1 3.6Å; L129-F157 HydrophobicContact CD1-CE1 4.35Å; L129-F157 HydrophobicContact CD1-CG 4.32Å; L129-L158 HydrophobicContact CD2-CD1 4.32Å; L129-H173 HydrophobicContact CD2-CB 3.92Å; L129-I177 HydrophobicContact CD1-CG1 4.44Å; L129-I177 HydrophobicContact CD2-CD1 4.09Å; L129-I177 HydrophobicContact CD2-CG1 3.87Å; L129-I177 HydrophobicContact CG-CG1 3.93Å
130A94.6Very high87.3Confident0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-58.2-49.9176.100000111.6T99 A126 I127 F132 T133 A134 A176 G180T99-A130 HydrophobicContact CG2-CB 3.57Å; A126-A130 PolarHBondContact O-N 2.96Å; I127-A130 WeakPolarHBondContact O-CB 3.18Å; I127-A130 PolarHBondContact O-N 3.46Å; I127-A130 VanDerWaalsContact O-N 3.17Å; A130-F132 VanDerWaalsContact C-N 3.32Å; A130-F132 PolarHBondContact O-N 2.82Å; A130-T133 PolarHBondContact O-N 3.44Å; A130-T133 VanDerWaalsContact O-N 3.15Å; A130-T133 PolarHBondContact O-OG1 2.82Å; A130-A134 PolarHBondContact O-N 2.94Å; A130-A134 VanDerWaalsContact O-N 3.08Å; A130-A176 WeakPolarHBondContact CA-O 3.23Å; A130-A176 HydrophobicContact CB-CB 4.08Å; A130-A176 VanDerWaalsContact CB-O 3.23Å; A130-A176 WeakPolarHBondContact CB-O 3.44Å; A130-G180 WeakPolarHBondContact O-CA 3.35Å
131L93.7Very high85.9Confident0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-63.2-39.8178.5-60.9179.6000111.6W87 F92 L95 S96 I127 Q128 L129 T133 A134 Q135 Y183W87-L131 HydrophobicContact CH2-CB 4.31Å; W87-L131 WeakPolarHBondContact CH2-O 3.36Å; W87-L131 HydrophobicContact CZ3-CB 4.21Å; W87-L131 HydrophobicContact CZ3-CD2 4.2Å; F92-L131 HydrophobicContact CD2-CD1 4.28Å; F92-L131 HydrophobicContact CE2-CD1 3.68Å; L95-L131 HydrophobicContact CB-CD2 4.12Å; L95-L131 HydrophobicContact CD2-CD2 3.61Å; L95-L131 HydrophobicContact CG-CD2 3.57Å; S96-L131 WeakPolarHBondContact OG-CD1 3.31Å; I127-L131 HydrophobicContact CG2-CD1 4.13Å; I127-L131 HydrophobicContact CG2-CG 4.44Å; I127-L131 WeakPolarHBondContact O-CG 3.47Å; I127-L131 PolarHBondContact O-N 3.27Å; Q128-L131 PolarHBondContact O-N 3.42Å; L129-L131 PolarHBondContact O-N 2.89Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 2.94Å; L131-A134 WeakPolarHBondContact O-CB 3.42Å; L131-A134 PolarHBondContact O-N 3.07Å; L131-Q135 PolarHBondContact O-N 3.44Å; L131-Y183 HydrophobicContact CD2-CE2 4.39Å
132F91.7Very high84.6Confident14 Ų1430 Ų306%0.06115%0.146CC..Hα-helixtrans-62.2-40.7174.6-177.6-117.2000112.2L79 Q128 L129 A130 A134 Q135 C136 L153 P154L79-F132 HydrophobicContact CD2-CB 4.05Å; L79-F132 HydrophobicContact CD2-CD2 3.43Å; L79-F132 VanDerWaalsContact CD2-CD2 3.43Å; L79-F132 HydrophobicContact CD2-CE2 4Å; L79-F132 HydrophobicContact CD2-CG 3.81Å; L79-F132 HydrophobicContact CG-CD2 4.18Å; Q128-F132 WeakPolarHBondContact O-CB 3.25Å; Q128-F132 PolarHBondContact O-N 2.86Å; L129-F132 HydrophobicContact CD1-CD1 4.49Å; L129-F132 PolarHBondContact O-N 3.11Å; A130-F132 VanDerWaalsContact C-N 3.32Å; A130-F132 PolarHBondContact O-N 2.82Å; F132-A134 VanDerWaalsContact C-N 3.34Å; F132-A134 PolarHBondContact O-N 3.21Å; F132-Q135 WeakPolarHBondContact O-CB 3.3Å; F132-Q135 PolarHBondContact O-N 2.84Å; F132-C136 VanDerWaalsContact CZ-SG 3.53Å; F132-C136 PolarHBondContact O-N 3.49Å; F132-C136 PolarHBondContact O-SG 3.24Å; F132-C136 VanDerWaalsContact O-SG 3.38Å; F132-L153 HydrophobicContact CE1-CB 3.95Å; F132-L153 HydrophobicContact CE1-CD2 4.31Å; F132-L153 HydrophobicContact CZ-CB 4.03Å; F132-L153 HydrophobicContact CZ-CD2 3.66Å; F132-L153 HydrophobicContact CZ-CG 4.47Å; F132-P154 HydrophobicContact CD1-CG 4.2Å; F132-P154 HydrophobicContact CE1-CG 4.31Å
133T91.4Very high83.2Confident0 Ų037.5 Ų37.50%017%0.169CC..Hα-helixtrans-63.4-40.4176.871.90000112L129 A130 L131 Q135 C136 R137 P154 I177 G180L129-T133 HydrophobicContact CD1-CG2 4.27Å; L129-T133 HydrophobicContact CG-CG2 4.43Å; L129-T133 WeakPolarHBondContact O-CG2 3.25Å; L129-T133 PolarHBondContact O-N 3.03Å; A130-T133 PolarHBondContact O-N 3.44Å; A130-T133 VanDerWaalsContact O-N 3.15Å; A130-T133 PolarHBondContact O-OG1 2.82Å; L131-T133 VanDerWaalsContact C-N 3.33Å; L131-T133 PolarHBondContact O-N 2.94Å; T133-Q135 VanDerWaalsContact C-N 3.33Å; T133-Q135 PolarHBondContact O-N 2.71Å; T133-C136 PolarHBondContact O-N 2.94Å; T133-R137 WeakPolarHBondContact O-CB 3.39Å; T133-R137 PolarHBondContact O-N 2.9Å; T133-P154 HydrophobicContact CG2-CB 3.33Å; T133-P154 HydrophobicContact CG2-CG 3.58Å; T133-I177 HydrophobicContact CG2-CB 4.17Å; T133-I177 HydrophobicContact CG2-CG1 3.86Å; T133-I177 HydrophobicContact CG2-CG2 4.15Å; T133-G180 VanDerWaalsContact OG1-C 3.29Å; T133-G180 WeakPolarHBondContact OG1-CA 3.5Å
134A90.9Very high81.8Confident0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-62-43.2174.400000110.9W87 A130 L131 F132 C136 R137 Q138 G180 Y183W87-A134 HydrophobicContact CH2-CB 4.15Å; W87-A134 HydrophobicContact CZ2-CB 4.23Å; A130-A134 PolarHBondContact O-N 2.94Å; A130-A134 VanDerWaalsContact O-N 3.08Å; L131-A134 WeakPolarHBondContact O-CB 3.42Å; L131-A134 PolarHBondContact O-N 3.07Å; F132-A134 VanDerWaalsContact C-N 3.34Å; F132-A134 PolarHBondContact O-N 3.21Å; A134-C136 PolarHBondContact O-N 3.31Å; A134-R137 PolarHBondContact O-N 3.2Å; A134-Q138 WeakPolarHBondContact O-CG 3.38Å; A134-Q138 PolarHBondContact O-N 2.76Å; A134-G180 WeakPolarHBondContact CA-O 3.39Å; A134-Y183 HydrophobicContact CB-CD2 3.94Å; A134-Y183 HydrophobicContact CB-CG 4.42Å
135Q88.7Confident80.1Confident1 Ų146.3 Ų46.31%0.00521%0.214CC..Hα-helixtrans-61.8-44.3177.1-168.2179.814.700112.4F12 R86 W87 L131 F132 T133 Q138 A139F12-Q135 HydrophobicContact CD1-CG 3.97Å; F12-Q135 HydrophobicContact CE1-CG 4.49Å; R86-Q135 VanDerWaalsContact NH1-CG 3.27Å; R86-Q135 PolarHBondContact NH1-O 2.85Å; W87-Q135 HydrophobicContact CH2-CB 4.32Å; W87-Q135 HydrophobicContact CZ2-CB 4.09Å; L131-Q135 PolarHBondContact O-N 3.44Å; F132-Q135 WeakPolarHBondContact O-CB 3.3Å; F132-Q135 PolarHBondContact O-N 2.84Å; T133-Q135 VanDerWaalsContact C-N 3.33Å; T133-Q135 PolarHBondContact O-N 2.71Å; Q135-Q138 PolarHBondContact O-N 3.14Å; Q135-A139 PolarHBondContact O-N 2.91Å
136C85.8Confident78.6Confident0 Ų055.6 Ų55.60%025%0.245CC..Hα-helixtrans-63-42.6175.9-74.40000111.9F132 T133 A134 Q138 A139 T140 V150 P154F132-C136 VanDerWaalsContact CZ-SG 3.53Å; F132-C136 PolarHBondContact O-N 3.49Å; F132-C136 PolarHBondContact O-SG 3.24Å; F132-C136 VanDerWaalsContact O-SG 3.38Å; T133-C136 PolarHBondContact O-N 2.94Å; A134-C136 PolarHBondContact O-N 3.31Å; C136-Q138 VanDerWaalsContact C-N 3.32Å; C136-Q138 PolarHBondContact O-N 3.01Å; C136-A139 CarbonylContact O-C 3.52Å; C136-A139 PolarHBondContact O-N 2.93Å; C136-T140 PolarHBondContact O-N 3.5Å; C136-V150 HydrophobicContact CB-CG1 3.82Å; C136-V150 WeakPolarHBondContact CB-O 3.21Å; C136-P154 HydrophobicContact CB-CG 4.14Å
137R83Confident77.2Confident71 Ų7160.8 Ų60.827%0.26828%0.28SS..Hα-helixtrans-61.4-40177.5-175.3-179.7-177.5-139.44.8111.9T133 A134 A139 T140 H181 Y183 H184T133-R137 WeakPolarHBondContact O-CB 3.39Å; T133-R137 PolarHBondContact O-N 2.9Å; A134-R137 PolarHBondContact O-N 3.2Å; R137-A139 PolarHBondContact O-N 3.17Å; R137-T140 PolarHBondContact O-N 2.85Å; R137-T140 PolarHBondContact O-OG1 3.33Å; R137-H181 WeakPolarHBondContact CD-O 3.41Å; R137-H181 PolarHBondContact NE-O 3.4Å; R137-H181 PolarHBondContact NH1-O 3.2Å; R137-Y183 PolarHBondContact NH1-O 3.15Å; R137-Y183 VanDerWaalsContact NH1-O 3.07Å; R137-H184 PolarHBondContact NH1-CD2 2.98Å; R137-H184 PolarHBondContact NH1-CE1 3.47Å; R137-H184 PolarHBondContact NH1-ND1 3.41Å; R137-H184 PolarHBondContact NH1-NE2 2.85Å; R137-H184 PolarHBondContact NH2-CD2 3.11Å; R137-H184 PolarHBondContact NH2-NE2 3.42Å
138Q78.6Confident75.9Confident31 Ų3164.2 Ų64.215%0.14530%0.298CS..THydrogen-bonded Turntrans-71.4-14.5175.9-67.1-172.5-16.900113.7R86 A134 Q135 C136 Q185R86-Q138 VanDerWaalsContact NH2-CB 3.32Å; R86-Q138 PolarHBondContact NH2-O 3.41Å; A134-Q138 WeakPolarHBondContact O-CG 3.38Å; A134-Q138 PolarHBondContact O-N 2.76Å; Q135-Q138 PolarHBondContact O-N 3.14Å; C136-Q138 VanDerWaalsContact C-N 3.32Å; C136-Q138 PolarHBondContact O-N 3.01Å; Q138-Q185 HydrophobicContact CG-CG 4.41Å
139A72.6Confident74.9Confident10 Ų1067.7 Ų67.78%0.08332%0.32CS..THydrogen-bonded Turntrans-104.318.1-179.900000112.4F12 Q135 C136 R137 Q141 R142 V150F12-A139 HydrophobicContact CE1-CB 4.09Å; Q135-A139 PolarHBondContact O-N 2.91Å; C136-A139 CarbonylContact O-C 3.52Å; C136-A139 PolarHBondContact O-N 2.93Å; R137-A139 PolarHBondContact O-N 3.17Å; A139-Q141 PolarHBondContact O-N 2.88Å; A139-R142 PolarHBondContact O-N 3.47Å; A139-V150 HydrophobicContact CB-CG1 4.13Å
140T58.1Low74.3Confident84 Ų8467.6 Ų67.652%0.51532%0.32SS..THydrogen-bonded Turntrans-54.9-24.8-173.512.20000115C136 R137 R142 W151C136-T140 PolarHBondContact O-N 3.5Å; R137-T140 PolarHBondContact O-N 2.85Å; R137-T140 PolarHBondContact O-OG1 3.33Å; T140-R142 VanDerWaalsContact C-N 3.33Å; T140-W151 HydrophobicContact CG2-CB 4.36Å
141Q56.3Low73.3Confident184 Ų18472.9 Ų72.986%0.8634%0.34SS*.THydrogen-bonded Turntrans-79.8-12.7176.5-65.7-63.4-28.700113.7A139A139-Q141 PolarHBondContact O-N 2.88Å
142R61.5Low72.7Confident155 Ų15577.4 Ų77.459%0.58536%0.36SS*.PPolyproline II helixtrans-96.3131.4178.4-62.5-171.6175.8-167.6-3.7109L11 A139 T140 V150L11-R142 PolarHBondContact O-NH1 2.92Å; A139-R142 PolarHBondContact O-N 3.47Å; T140-R142 VanDerWaalsContact C-N 3.33Å; R142-V150 WeakPolarHBondContact O-CG2 3.39Å
143R59.1Low72.4Confident197 Ų19778.4 Ų78.474%0.74337%0.366SS*.EExtended strand (participates in β ladder)trans-98.5125.4172.7-65.2-175.5-177-172.71109
144L59.3Low72.1Confident35 Ų3578.4 Ų78.418%0.18337%0.366CS..EExtended strand (participates in β ladder)trans-77.4127.1175.1-135.3136.3000107.3L11 F12 R146 C147 L148 V150 L153L11-L144 HydrophobicContact CD2-CD1 3.2Å; L11-L144 HydrophobicContact CD2-CG 3.57Å; F12-L144 HydrophobicContact CE2-CD1 4.16Å; F12-L144 HydrophobicContact CZ-CD1 4.17Å; L144-R146 PolarHBondContact O-N 3.25Å; L144-R146 VanDerWaalsContact O-N 3.14Å; L144-C147 PolarHBondContact O-N 3.24Å; L144-L148 PolarHBondContact N-O 3.36Å; L144-L148 PolarHBondContact O-N 2.86Å; L144-L148 VanDerWaalsContact O-N 3.08Å; L144-V150 HydrophobicContact CB-CG2 4.01Å; L144-V150 HydrophobicContact CD1-CG2 4.03Å; L144-L153 HydrophobicContact CB-CD1 4.39Å; L144-L153 HydrophobicContact CD1-CD1 3.77Å; L144-L153 HydrophobicContact CD1-CD2 3.98Å; L144-L153 HydrophobicContact CG-CD1 4.5Å
145L57Low71.9Confident155 Ų15582.4 Ų82.481%0.81238%0.381SS*.THydrogen-bonded Turntrans54.829.3-177.6-74.9140.9000114.7C147L145-C147 PolarHBondContact O-N 3.06Å
146R59.1Low71.8Confident225 Ų22585.7 Ų85.785%0.84940%0.398SS*.THydrogen-bonded Turntrans59.2-15-175.3-92.3176.4173168-2.3116.5L144L144-R146 PolarHBondContact O-N 3.25Å; L144-R146 VanDerWaalsContact O-N 3.14Å
147C62.3Low71.7Confident110 Ų11089 Ų8974%0.74341%0.413SS*.THydrogen-bonded Turntrans-113.8-28.4-171.1-65.40000114.3L144 L145L144-C147 PolarHBondContact O-N 3.24Å; L145-C147 PolarHBondContact O-N 3.06Å
148L65.4Low71.7Confident71 Ų7186.7 Ų86.737%0.37241%0.405SS..EExtended strand (participates in β ladder)trans-104.9124.5-177.5-115.174.5000111.9L144 V150 F152 L156L144-L148 PolarHBondContact N-O 3.36Å; L144-L148 PolarHBondContact O-N 2.86Å; L144-L148 VanDerWaalsContact O-N 3.08Å; L148-V150 PolarHBondContact O-N 3.08Å; L148-F152 HydrophobicContact CD2-CD1 4.46Å; L148-L156 HydrophobicContact CD2-CD1 3.53Å
149P71.9Confident72Confident76 Ų7691 Ų9149%0.49443%0.429SS..EExtended strand (participates in β ladder)trans-64.9130.6169.827.3-31.5000108.9W151 F152P149-W151 PolarHBondContact O-N 3.41Å; P149-W151 VanDerWaalsContact O-N 3.08Å; P149-F152 HydrophobicContact CG-CB 4.26Å; P149-F152 PolarHBondContact O-N 3.07Å
150V78.4Confident72.4Confident1 Ų193.2 Ų93.21%0.00644%0.444CS..G310 helixtrans-59.9-24.6-177.4172.50000112.2F12 C136 A139 R142 L144 L148 F152 L153F12-V150 HydrophobicContact CE1-CG1 3.91Å; F12-V150 HydrophobicContact CZ-CG1 3.82Å; C136-V150 HydrophobicContact CB-CG1 3.82Å; C136-V150 WeakPolarHBondContact CB-O 3.21Å; A139-V150 HydrophobicContact CB-CG1 4.13Å; R142-V150 WeakPolarHBondContact O-CG2 3.39Å; L144-V150 HydrophobicContact CB-CG2 4.01Å; L144-V150 HydrophobicContact CD1-CG2 4.03Å; L148-V150 PolarHBondContact O-N 3.08Å; V150-F152 PolarHBondContact O-N 3.18Å; V150-L153 PolarHBondContact O-N 3.23Å
151W75.3Confident73.2Confident111 Ų11190.4 Ų90.442%0.4243%0.432SS..G310 helixtrans-64.5-21175.4-172.771.3000114.1T140 P149 P154 H181T140-W151 HydrophobicContact CG2-CB 4.36Å; P149-W151 PolarHBondContact O-N 3.41Å; P149-W151 VanDerWaalsContact O-N 3.08Å; W151-P154 WeakPolarHBondContact O-CD 3.48Å; W151-H181 AromaticContact CD1-NE2 3.86Å; W151-H181 AromaticContact CE2-CD2 3.8Å; W151-H181 AromaticContact CE2-NE2 3.17Å; W151-H181 AromaticContact CZ2-CD2 3.72Å; W151-H181 AromaticContact CZ2-NE2 3.22Å; W151-H181 WeakPolarHBondContact CZ2-NE2 3.42Å; W151-H181 AromaticContact NE1-CD2 3.28Å; W151-H181 PolarHBondContact NE1-CD2 3.48Å; W151-H181 VanDerWaalsContact NE1-CD2 3.28Å; W151-H181 AromaticContact NE1-CE1 3.79Å; W151-H181 AromaticContact NE1-NE2 2.79Å; W151-H181 PolarHBondContact NE1-NE2 2.92Å
152F80.7Confident74.3Confident94 Ų9484.9 Ų84.941%0.41241%0.408SS..G310 helixtrans-84.1-15.9177.7-166.7-112.6000113.5L148 P149 V150 W155 L156L148-F152 HydrophobicContact CD2-CD1 4.46Å; P149-F152 HydrophobicContact CG-CB 4.26Å; P149-F152 PolarHBondContact O-N 3.07Å; V150-F152 PolarHBondContact O-N 3.18Å; F152-W155 HydrophobicContact CD2-CB 4.18Å; F152-W155 HydrophobicContact CD2-CG 4.4Å; F152-W155 HydrophobicContact CE2-CB 4.05Å; F152-W155 HydrophobicContact CE2-CG 4.5Å; F152-W155 WeakPolarHBondContact O-CB 3.33Å; F152-W155 PolarHBondContact O-N 3.05Å; F152-W155 VanDerWaalsContact O-N 3.14Å; F152-L156 HydrophobicContact CD1-CD1 3.72Å; F152-L156 HydrophobicContact CD1-CD2 4.19Å; F152-L156 HydrophobicContact CD1-CG 3.64Å; F152-L156 HydrophobicContact CE1-CD1 3.98Å; F152-L156 HydrophobicContact CE1-CD2 3.57Å; F152-L156 HydrophobicContact CE1-CG 3.52Å; F152-L156 HydrophobicContact CZ-CD2 4.4Å; F152-L156 HydrophobicContact CZ-CG 4.49Å; F152-L156 PolarHBondContact O-N 3.47Å
153L84.7Confident75.1Confident36 Ų3684.7 Ų84.719%0.18842%0.418CS..Hα-helixtrans-56.8-41.5-176.9-107.887.6000114.5F132 L144 V150 W155 L156 F157F132-L153 HydrophobicContact CE1-CB 3.95Å; F132-L153 HydrophobicContact CE1-CD2 4.31Å; F132-L153 HydrophobicContact CZ-CB 4.03Å; F132-L153 HydrophobicContact CZ-CD2 3.66Å; F132-L153 HydrophobicContact CZ-CG 4.47Å; L144-L153 HydrophobicContact CB-CD1 4.39Å; L144-L153 HydrophobicContact CD1-CD1 3.77Å; L144-L153 HydrophobicContact CD1-CD2 3.98Å; L144-L153 HydrophobicContact CG-CD1 4.5Å; V150-L153 PolarHBondContact O-N 3.23Å; L153-W155 VanDerWaalsContact C-N 3.26Å; L153-W155 PolarHBondContact O-N 3.38Å; L153-L156 PolarHBondContact O-N 3.3Å; L153-F157 WeakPolarHBondContact O-CB 3.46Å; L153-F157 PolarHBondContact O-N 3.21Å
154P86.1Confident75.6Confident0 Ų080.7 Ų80.70%041%0.41CS..Hα-helixtrans-60.2-34.8177.7-29.137.8000114.5L129 F132 T133 C136 W151 F157 L158L129-P154 HydrophobicContact CD1-CB 4.25Å; F132-P154 HydrophobicContact CD1-CG 4.2Å; F132-P154 HydrophobicContact CE1-CG 4.31Å; T133-P154 HydrophobicContact CG2-CB 3.33Å; T133-P154 HydrophobicContact CG2-CG 3.58Å; C136-P154 HydrophobicContact CB-CG 4.14Å; W151-P154 WeakPolarHBondContact O-CD 3.48Å; P154-F157 PolarHBondContact O-N 3.38Å; P154-L158 WeakPolarHBondContact O-CB 3.27Å; P154-L158 PolarHBondContact O-N 3.4Å
155W86.7Confident76.1Confident84 Ų8481 Ų8132%0.31841%0.412SS..Hα-helixtrans-70.8-38.8178.1-59.7100.7000111.3F152 L153 F157 L158 L159 L174 I177F152-W155 HydrophobicContact CD2-CB 4.18Å; F152-W155 HydrophobicContact CD2-CG 4.4Å; F152-W155 HydrophobicContact CE2-CB 4.05Å; F152-W155 HydrophobicContact CE2-CG 4.5Å; F152-W155 WeakPolarHBondContact O-CB 3.33Å; F152-W155 PolarHBondContact O-N 3.05Å; F152-W155 VanDerWaalsContact O-N 3.14Å; L153-W155 VanDerWaalsContact C-N 3.26Å; L153-W155 PolarHBondContact O-N 3.38Å; W155-F157 VanDerWaalsContact C-N 3.35Å; W155-L158 HydrophobicContact CE3-CD2 4.43Å; W155-L158 WeakPolarHBondContact O-CB 3.46Å; W155-L158 PolarHBondContact O-N 3.22Å; W155-L159 PolarHBondContact O-N 2.85Å; W155-L174 HydrophobicContact CZ3-CD2 3.85Å; W155-I177 HydrophobicContact CE3-CD1 4.17Å; W155-I177 HydrophobicContact CH2-CG2 3.99Å; W155-I177 HydrophobicContact CZ2-CG2 3.77Å; W155-I177 HydrophobicContact CZ3-CD1 4.28Å
156L85.1Confident76.4Confident69 Ų6979.5 Ų79.536%0.36141%0.412SS..Hα-helixtrans-64.9-40.4171.5-71.2174.4000112.1L148 F152 L153 L159 S160L148-L156 HydrophobicContact CD2-CD1 3.53Å; F152-L156 HydrophobicContact CD1-CD1 3.72Å; F152-L156 HydrophobicContact CD1-CD2 4.19Å; F152-L156 HydrophobicContact CD1-CG 3.64Å; F152-L156 HydrophobicContact CE1-CD1 3.98Å; F152-L156 HydrophobicContact CE1-CD2 3.57Å; F152-L156 HydrophobicContact CE1-CG 3.52Å; F152-L156 HydrophobicContact CZ-CD2 4.4Å; F152-L156 HydrophobicContact CZ-CG 4.49Å; F152-L156 PolarHBondContact O-N 3.47Å; L153-L156 PolarHBondContact O-N 3.3Å; L156-L159 PolarHBondContact O-N 3.48Å; L156-S160 WeakPolarHBondContact O-CB 3.36Å; L156-S160 PolarHBondContact O-N 3.41Å
157F84.2Confident76.6Confident71 Ų7172.4 Ų72.431%0.31141%0.408SS..Hα-helixtrans-64.5-41.5176.9-172.3-91.3000111.5L75 L129 L153 P154 W155 S160 G161L75-F157 HydrophobicContact CD1-CE2 4.48Å; L75-F157 HydrophobicContact CD1-CZ 3.67Å; L75-F157 HydrophobicContact CD2-CE2 3.76Å; L75-F157 HydrophobicContact CD2-CZ 3.73Å; L75-F157 HydrophobicContact CG-CZ 4.36Å; L129-F157 HydrophobicContact CD1-CB 4.35Å; L129-F157 HydrophobicContact CD1-CD1 3.6Å; L129-F157 HydrophobicContact CD1-CE1 4.35Å; L129-F157 HydrophobicContact CD1-CG 4.32Å; L153-F157 WeakPolarHBondContact O-CB 3.46Å; L153-F157 PolarHBondContact O-N 3.21Å; P154-F157 PolarHBondContact O-N 3.38Å; W155-F157 VanDerWaalsContact C-N 3.35Å; F157-S160 PolarHBondContact O-N 2.95Å; F157-G161 PolarHBondContact O-N 2.92Å
158L83.6Confident76.9Confident21 Ų2168.8 Ų68.811%0.1138%0.383CS..Hα-helixtrans-58-51172.1178.671.3000111.4L129 P154 W155 S160 G161 L162 H173 L174 I177L129-L158 HydrophobicContact CD2-CD1 4.32Å; P154-L158 WeakPolarHBondContact O-CB 3.27Å; P154-L158 PolarHBondContact O-N 3.4Å; W155-L158 HydrophobicContact CE3-CD2 4.43Å; W155-L158 WeakPolarHBondContact O-CB 3.46Å; W155-L158 PolarHBondContact O-N 3.22Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-S160 PolarHBondContact O-N 2.87Å; L158-G161 PolarHBondContact O-N 3.09Å; L158-G161 VanDerWaalsContact O-N 3.1Å; L158-L162 HydrophobicContact CD1-CD1 3.7Å; L158-L162 HydrophobicContact CG-CD1 4.08Å; L158-L162 WeakPolarHBondContact O-CD1 3.05Å; L158-L162 PolarHBondContact O-N 3.49Å; L158-H173 HydrophobicContact CD1-CB 3.3Å; L158-L174 HydrophobicContact CD2-CD2 3.7Å; L158-L174 HydrophobicContact CD2-CG 4.31Å; L158-I177 HydrophobicContact CB-CD1 4.08Å; L158-I177 HydrophobicContact CD1-CD1 4.5Å; L158-I177 HydrophobicContact CD2-CD1 3.83Å; L158-I177 HydrophobicContact CG-CD1 4.37Å
159L84.3Confident77.6Confident121 Ų12167.1 Ų67.163%0.63438%0.376SS*.Hα-helixtrans-60-42.4-179.5-172.470.7000111.4W155 L156 L163W155-L159 PolarHBondContact O-N 2.85Å; L156-L159 PolarHBondContact O-N 3.48Å; L159-L163 PolarHBondContact O-N 3.38Å
160S80.8Confident78.1Confident57 Ų5765.3 Ų65.340%0.39937%0.368SS..Hα-helixtrans-63.3-44173.9-169.70000111.5L156 F157 L158 L162 L163 L164L156-S160 WeakPolarHBondContact O-CB 3.36Å; L156-S160 PolarHBondContact O-N 3.41Å; F157-S160 PolarHBondContact O-N 2.95Å; L158-S160 VanDerWaalsContact C-N 3.3Å; L158-S160 PolarHBondContact O-N 2.87Å; S160-L162 PolarHBondContact O-N 3.47Å; S160-L163 PolarHBondContact O-N 3.38Å; S160-L164 WeakPolarHBondContact O-CD1 3.22Å; S160-L164 PolarHBondContact O-N 2.91Å; S160-L164 WeakPolarHBondContact OG-CD1 3.21Å
161G75.8Confident78.6Confident26 Ų2669 Ų6927%0.26839%0.387SS..Hα-helixtrans-61.2-44179.700000112.8F157 L158 L163 L164 L165F157-G161 PolarHBondContact O-N 2.92Å; L158-G161 PolarHBondContact O-N 3.09Å; L158-G161 VanDerWaalsContact O-N 3.1Å; G161-L163 VanDerWaalsContact C-N 3.28Å; G161-L163 PolarHBondContact O-N 3.38Å; G161-L164 PolarHBondContact O-N 3.27Å; G161-L165 PolarHBondContact O-N 3.5Å
162L80.2Confident79.3Confident68 Ų6864 Ų6436%0.35637%0.368SS..Hα-helixtrans-61.5-36.3174.8-95.667.6000112.3L158 S160 A170L158-L162 HydrophobicContact CD1-CD1 3.7Å; L158-L162 HydrophobicContact CG-CD1 4.08Å; L158-L162 WeakPolarHBondContact O-CD1 3.05Å; L158-L162 PolarHBondContact O-N 3.49Å; S160-L162 PolarHBondContact O-N 3.47Å; L162-A170 HydrophobicContact CD1-CB 4.1Å; L162-A170 HydrophobicContact CD2-CB 3.97Å; L162-A170 HydrophobicContact CG-CB 4.3Å
163L76.4Confident79.8Confident151 Ų15160.3 Ų60.379%0.79135%0.353SS*.Hα-helixtrans-73.7-37.9179-171.166000112.4L159 S160 G161L159-L163 PolarHBondContact O-N 3.38Å; S160-L163 PolarHBondContact O-N 3.38Å; G161-L163 VanDerWaalsContact C-N 3.28Å; G161-L163 PolarHBondContact O-N 3.38Å
164L71.4Confident80.1Confident113 Ų11361.7 Ų61.759%0.59236%0.36SS*.Hα-helixtrans-78.4-36.6-179.8-84.791.6000112.7S160 G161S160-L164 WeakPolarHBondContact O-CD1 3.22Å; S160-L164 PolarHBondContact O-N 2.91Å; S160-L164 WeakPolarHBondContact OG-CD1 3.21Å; G161-L164 PolarHBondContact O-N 3.27Å
165L68.7Low80.3Confident41 Ų4162.2 Ų62.222%0.21536%0.363CS..  trans-128.189.1-178.5-80.478.8000110.2I71 G161 G167 T168I71-L165 HydrophobicContact CD1-CD1 3.52Å; G161-L165 PolarHBondContact O-N 3.5Å; L165-G167 PolarHBondContact O-N 3.34Å; L165-T168 HydrophobicContact CB-CG2 3.79Å; L165-T168 HydrophobicContact CD2-CG2 4.08Å; L165-T168 PolarHBondContact O-N 3.44Å; L165-T168 PolarHBondContact O-OG1 2.74Å
166P62.6Low80.7Confident124 Ų12458.2 Ų58.281%0.80535%0.348SS*.THydrogen-bonded Turntrans-64.8-11-177.525.4-33.9000114.1
167G63.2Low81.1Confident76 Ų7655 Ų5578%0.78433%0.331SS*.THydrogen-bonded Turntrans-91.20.2177.900000115.5L165L165-G167 PolarHBondContact O-N 3.34Å
168T70.1Confident81.5Confident33 Ų3355 Ų5520%0.20234%0.34CS..SBendtrans-80.6134.9-177.950.50000112.1L165 A170L165-T168 HydrophobicContact CB-CG2 3.79Å; L165-T168 HydrophobicContact CD2-CG2 4.08Å; L165-T168 PolarHBondContact O-N 3.44Å; L165-T168 PolarHBondContact O-OG1 2.74Å; T168-A170 PolarHBondContact O-N 2.91Å
169P79.1Confident82Confident37 Ų3754.5 Ų54.524%0.2434%0.336CS..  trans-6899.1-179.925.5-32.4000110.4I121 L171 L172 H173I121-P169 HydrophobicContact CG2-CG 4.25Å; P169-L171 PolarHBondContact O-N 3.04Å; P169-L172 HydrophobicContact CB-CB 3.98Å; P169-L172 HydrophobicContact CG-CB 3.78Å; P169-L172 HydrophobicContact CG-CD2 3.83Å; P169-L172 HydrophobicContact CG-CG 4.47Å; P169-L172 VanDerWaalsContact O-CB 3.31Å; P169-L172 WeakPolarHBondContact O-CB 3.28Å; P169-L172 PolarHBondContact O-N 3.15Å; P169-H173 PolarHBondContact O-N 3.15Å
170A83.5Confident82.4Confident37 Ų3748.7 Ų48.731%0.30631%0.306SS..Hα-helixtrans-55-37.9-178.300000112.7L162 T168 L172 H173 L174L162-A170 HydrophobicContact CD1-CB 4.1Å; L162-A170 HydrophobicContact CD2-CB 3.97Å; L162-A170 HydrophobicContact CG-CB 4.3Å; T168-A170 PolarHBondContact O-N 2.91Å; A170-L172 VanDerWaalsContact C-N 3.34Å; A170-L172 PolarHBondContact O-N 3.32Å; A170-H173 PolarHBondContact O-N 3.5Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.27Å
171L87.4Confident82.9Confident79 Ų7947.8 Ų47.841%0.41430%0.296SS..Hα-helixtrans-60.8-39.5175.7-70.2175.5000112.7Y107 P169 H173 L174 C175Y107-L171 HydrophobicContact CE2-CB 4.02Å; P169-L171 PolarHBondContact O-N 3.04Å; L171-H173 VanDerWaalsContact C-N 3.34Å; L171-H173 PolarHBondContact O-N 3.03Å; L171-L174 HydrophobicContact CD2-CD1 4.34Å; L171-L174 PolarHBondContact O-N 3.45Å; L171-C175 PolarHBondContact O-N 2.49Å; L171-C175 PolarHBondContact O-SG 2.88Å
172L90.4Very high83.6Confident6 Ų651.6 Ų51.63%0.03131%0.31CS..Hα-helixtrans-62.9-44.3177.1-176.972.3000110.5L103 Y107 I121 A126 P169 A170 C175 A176L103-L172 HydrophobicContact CD1-CD1 3.96Å; L103-L172 HydrophobicContact CD2-CD1 4.09Å; L103-L172 HydrophobicContact CD2-CG 4.39Å; L103-L172 HydrophobicContact CG-CD1 3.85Å; Y107-L172 HydrophobicContact CD1-CD1 3.92Å; Y107-L172 HydrophobicContact CD2-CB 4.1Å; Y107-L172 HydrophobicContact CD2-CD1 3.9Å; Y107-L172 HydrophobicContact CE1-CD1 4.43Å; Y107-L172 HydrophobicContact CE2-CB 3.99Å; Y107-L172 HydrophobicContact CE2-CD1 4.42Å; Y107-L172 HydrophobicContact CG-CD1 3.62Å; I121-L172 HydrophobicContact CB-CD2 4.18Å; I121-L172 HydrophobicContact CD1-CD1 3.94Å; I121-L172 HydrophobicContact CG2-CD2 4.1Å; A126-L172 HydrophobicContact CB-CD2 4.01Å; A126-L172 HydrophobicContact CB-CG 4.09Å; P169-L172 HydrophobicContact CB-CB 3.98Å; P169-L172 HydrophobicContact CG-CB 3.78Å; P169-L172 HydrophobicContact CG-CD2 3.83Å; P169-L172 HydrophobicContact CG-CG 4.47Å; P169-L172 VanDerWaalsContact O-CB 3.31Å; P169-L172 WeakPolarHBondContact O-CB 3.28Å; P169-L172 PolarHBondContact O-N 3.15Å; A170-L172 VanDerWaalsContact C-N 3.34Å; A170-L172 PolarHBondContact O-N 3.32Å; L172-C175 WeakPolarHBondContact O-CB 3.24Å; L172-C175 PolarHBondContact O-N 2.83Å; L172-A176 PolarHBondContact O-N 3.16Å
173H90.9Very high84.1Confident17 Ų1749 Ų498%0.07930%0.295CS..Hα-helixtrans-68.5-33.3177.7-70-61.1000112.8S125 L129 L158 P169 A170 L171 A176 I177S125-H173 PolarHBondContact OG-CE1 3.28Å; L129-H173 HydrophobicContact CD2-CB 3.92Å; L158-H173 HydrophobicContact CD1-CB 3.3Å; P169-H173 PolarHBondContact O-N 3.15Å; A170-H173 PolarHBondContact O-N 3.5Å; L171-H173 VanDerWaalsContact C-N 3.34Å; L171-H173 PolarHBondContact O-N 3.03Å; H173-A176 WeakPolarHBondContact O-CB 3.18Å; H173-A176 PolarHBondContact O-N 3.07Å; H173-I177 WeakPolarHBondContact O-CG1 3.44Å; H173-I177 PolarHBondContact O-N 3.23Å
174L90.8Very high84.7Confident65 Ų6545.6 Ų45.634%0.3428%0.275SS..Hα-helixtrans-63.1-46.6170.5-72.8170.6000111.4W155 L158 A170 L171 A176 I177 C178W155-L174 HydrophobicContact CZ3-CD2 3.85Å; L158-L174 HydrophobicContact CD2-CD2 3.7Å; L158-L174 HydrophobicContact CD2-CG 4.31Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.27Å; L171-L174 HydrophobicContact CD2-CD1 4.34Å; L171-L174 PolarHBondContact O-N 3.45Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 3.02Å; L174-I177 PolarHBondContact O-N 3.47Å; L174-C178 PolarHBondContact O-N 3.34Å; L174-C178 PolarHBondContact O-SG 3.37Å; L174-C178 VanDerWaalsContact O-SG 3.35Å
175C92.1Very high85.4Confident11 Ų1144.8 Ų44.87%0.07427%0.269CS..Hα-helixtrans-57.5-41.8173.7-67.30000111.6L103 I106 L171 L172 I177 C178 I179L103-C175 HydrophobicContact CD1-CB 3.7Å; I106-C175 HydrophobicContact CG2-CB 4.25Å; L171-C175 PolarHBondContact O-N 2.49Å; L171-C175 PolarHBondContact O-SG 2.88Å; L172-C175 WeakPolarHBondContact O-CB 3.24Å; L172-C175 PolarHBondContact O-N 2.83Å; C175-I177 PolarHBondContact O-N 2.98Å; C175-C178 WeakPolarHBondContact O-CB 3.49Å; C175-C178 PolarHBondContact O-N 3.28Å; C175-I179 VanDerWaalsContact O-CG1 3.3Å; C175-I179 WeakPolarHBondContact O-CG1 3.38Å; C175-I179 PolarHBondContact O-N 2.97Å
176A94.3Very high86.3Confident0 Ų047.8 Ų47.80%029%0.29CS..Hα-helixtrans-61.2-43.1176.600000112.7L103 A126 A130 L172 H173 L174 I179 G180L103-A176 HydrophobicContact CD1-CB 4.05Å; L103-A176 HydrophobicContact CD2-CB 4.24Å; A126-A176 HydrophobicContact CB-CB 4.21Å; A126-A176 VanDerWaalsContact O-CB 3.24Å; A126-A176 WeakPolarHBondContact O-CB 3.39Å; A130-A176 WeakPolarHBondContact CA-O 3.23Å; A130-A176 HydrophobicContact CB-CB 4.08Å; A130-A176 VanDerWaalsContact CB-O 3.23Å; A130-A176 WeakPolarHBondContact CB-O 3.44Å; L172-A176 PolarHBondContact O-N 3.16Å; H173-A176 WeakPolarHBondContact O-CB 3.18Å; H173-A176 PolarHBondContact O-N 3.07Å; L174-A176 VanDerWaalsContact C-N 3.27Å; L174-A176 PolarHBondContact O-N 3.02Å; A176-I179 PolarHBondContact O-N 3.02Å; A176-G180 PolarHBondContact O-N 3.36Å
177I93.2Very high87.6Confident1 Ų145.9 Ų45.91%0.00527%0.269CS..Hα-helixtrans-61.1-46.4174.6-67.6168.9000110.4L129 T133 W155 L158 H173 L174 C175 I179 G180 H181L129-I177 HydrophobicContact CD1-CG1 4.44Å; L129-I177 HydrophobicContact CD2-CD1 4.09Å; L129-I177 HydrophobicContact CD2-CG1 3.87Å; L129-I177 HydrophobicContact CG-CG1 3.93Å; T133-I177 HydrophobicContact CG2-CB 4.17Å; T133-I177 HydrophobicContact CG2-CG1 3.86Å; T133-I177 HydrophobicContact CG2-CG2 4.15Å; W155-I177 HydrophobicContact CE3-CD1 4.17Å; W155-I177 HydrophobicContact CH2-CG2 3.99Å; W155-I177 HydrophobicContact CZ2-CG2 3.77Å; W155-I177 HydrophobicContact CZ3-CD1 4.28Å; L158-I177 HydrophobicContact CB-CD1 4.08Å; L158-I177 HydrophobicContact CD1-CD1 4.5Å; L158-I177 HydrophobicContact CD2-CD1 3.83Å; L158-I177 HydrophobicContact CG-CD1 4.37Å; H173-I177 WeakPolarHBondContact O-CG1 3.44Å; H173-I177 PolarHBondContact O-N 3.23Å; L174-I177 PolarHBondContact O-N 3.47Å; C175-I177 PolarHBondContact O-N 2.98Å; I177-I179 VanDerWaalsContact C-N 3.34Å; I177-I179 PolarHBondContact O-N 2.85Å; I177-G180 PolarHBondContact O-N 2.87Å; I177-H181 VanDerWaalsContact CG2-CE1 3.45Å; I177-H181 WeakPolarHBondContact CG2-CE1 3.3Å; I177-H181 PolarHBondContact O-N 3.44Å; I177-H181 PolarHBondContact O-ND1 2.64Å
178C92.7Very high88.8Confident72 Ų7242.3 Ų42.349%0.48623%0.232SC..Hα-helixtrans-58.2-45.5176.9-67.20000111.6L174 C175 H181 N182L174-C178 PolarHBondContact O-N 3.34Å; L174-C178 PolarHBondContact O-SG 3.37Å; L174-C178 VanDerWaalsContact O-SG 3.35Å; C175-C178 WeakPolarHBondContact O-CB 3.49Å; C175-C178 PolarHBondContact O-N 3.28Å; C178-H181 PolarHBondContact O-N 3.32Å; C178-N182 PolarHBondContact O-N 2.88Å; C178-N182 PolarHBondContact O-ND2 2.99Å
179I94.6Very high89.6Confident9 Ų941.7 Ų41.75%0.04623%0.233CC..Hα-helixtrans-60.9-49.1178.4-70.2167.2000111L103 I106 C175 A176 I177 H181 N182 Y183L103-I179 VanDerWaalsContact CA-CD1 3.43Å; L103-I179 HydrophobicContact CB-CD1 3.76Å; L103-I179 HydrophobicContact CD1-CD1 3.75Å; L103-I179 HydrophobicContact CG-CD1 4.37Å; I106-I179 HydrophobicContact CD1-CD1 3.7Å; I106-I179 HydrophobicContact CD1-CG1 3.58Å; C175-I179 VanDerWaalsContact O-CG1 3.3Å; C175-I179 WeakPolarHBondContact O-CG1 3.38Å; C175-I179 PolarHBondContact O-N 2.97Å; A176-I179 PolarHBondContact O-N 3.02Å; I177-I179 VanDerWaalsContact C-N 3.34Å; I177-I179 PolarHBondContact O-N 2.85Å; I179-H181 VanDerWaalsContact C-N 3.27Å; I179-H181 PolarHBondContact O-N 2.87Å; I179-N182 WeakPolarHBondContact O-CA 3.02Å; I179-N182 VanDerWaalsContact O-CB 3.31Å; I179-N182 WeakPolarHBondContact O-CB 2.97Å; I179-N182 PolarHBondContact O-N 3.03Å; I179-Y183 HydrophobicContact CG2-CE1 4.19Å; I179-Y183 HydrophobicContact CG2-CE2 4.08Å; I179-Y183 WeakPolarHBondContact CG2-OH 2.99Å; I179-Y183 PolarHBondContact O-N 3.48Å
180G92.6Very high89.9Confident0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-70-23.5-177.900000113.8A130 T133 A134 A176 I177 N182 Y183A130-G180 WeakPolarHBondContact O-CA 3.35Å; T133-G180 VanDerWaalsContact OG1-C 3.29Å; T133-G180 WeakPolarHBondContact OG1-CA 3.5Å; A134-G180 WeakPolarHBondContact CA-O 3.39Å; A176-G180 PolarHBondContact O-N 3.36Å; I177-G180 PolarHBondContact O-N 2.87Å; G180-N182 PolarHBondContact O-N 3.01Å; G180-Y183 PolarHBondContact O-N 3.45Å
181H90.3Very high90.1Very high37 Ų3741.6 Ų41.617%0.17123%0.232CC..Hα-helixtrans-65.4-29.2166.5-78.658000112.8R137 W151 I177 C178 I179 Y183R137-H181 WeakPolarHBondContact CD-O 3.41Å; R137-H181 PolarHBondContact NE-O 3.4Å; R137-H181 PolarHBondContact NH1-O 3.2Å; W151-H181 AromaticContact CD1-NE2 3.86Å; W151-H181 AromaticContact CE2-CD2 3.8Å; W151-H181 AromaticContact CE2-NE2 3.17Å; W151-H181 AromaticContact CZ2-CD2 3.72Å; W151-H181 AromaticContact CZ2-NE2 3.22Å; W151-H181 WeakPolarHBondContact CZ2-NE2 3.42Å; W151-H181 AromaticContact NE1-CD2 3.28Å; W151-H181 PolarHBondContact NE1-CD2 3.48Å; W151-H181 VanDerWaalsContact NE1-CD2 3.28Å; W151-H181 AromaticContact NE1-CE1 3.79Å; W151-H181 AromaticContact NE1-NE2 2.79Å; W151-H181 PolarHBondContact NE1-NE2 2.92Å; I177-H181 VanDerWaalsContact CG2-CE1 3.45Å; I177-H181 WeakPolarHBondContact CG2-CE1 3.3Å; I177-H181 PolarHBondContact O-N 3.44Å; I177-H181 PolarHBondContact O-ND1 2.64Å; C178-H181 PolarHBondContact O-N 3.32Å; I179-H181 VanDerWaalsContact C-N 3.27Å; I179-H181 PolarHBondContact O-N 2.87Å; H181-Y183 VanDerWaalsContact C-N 3.29Å; H181-Y183 PolarHBondContact O-N 3.5Å
182N92Very high90Very high107 Ų10738.9 Ų38.957%0.57222%0.218SC*.Hα-helixtrans-78.6-9.6176.8-76.7-79.2000113.2C178 I179 G180 H184C178-N182 PolarHBondContact O-N 2.88Å; C178-N182 PolarHBondContact O-ND2 2.99Å; I179-N182 WeakPolarHBondContact O-CA 3.02Å; I179-N182 VanDerWaalsContact O-CB 3.31Å; I179-N182 WeakPolarHBondContact O-CB 2.97Å; I179-N182 PolarHBondContact O-N 3.03Å; G180-N182 PolarHBondContact O-N 3.01Å; N182-H184 PolarHBondContact O-CE1 2.92Å; N182-H184 PolarHBondContact O-N 3.31Å; N182-H184 VanDerWaalsContact O-N 3.1Å; N182-H184 PolarHBondContact O-ND1 3.33Å
183Y90.9Very high89.6Confident13 Ų1345 Ų455%0.05125%0.246CC..  trans-77.1100.6171.5-63-28000110.8L95 T99 L131 A134 R137 I179 G180 H181 F187L95-Y183 HydrophobicContact CD1-CD1 3.96Å; L95-Y183 HydrophobicContact CD1-CD2 3.7Å; L95-Y183 HydrophobicContact CD1-CE1 3.89Å; L95-Y183 HydrophobicContact CD1-CE2 3.61Å; L95-Y183 HydrophobicContact CD1-CG 3.89Å; L95-Y183 HydrophobicContact CD2-CD2 4.08Å; L95-Y183 HydrophobicContact CD2-CE2 4.36Å; L95-Y183 HydrophobicContact CG-CD2 4.02Å; L95-Y183 HydrophobicContact CG-CE2 3.83Å; T99-Y183 WeakPolarHBondContact CA-OH 3.46Å; T99-Y183 PolarHBondContact N-OH 3.37Å; T99-Y183 WeakPolarHBondContact OG1-CE2 3.25Å; T99-Y183 PolarHBondContact OG1-OH 3.46Å; L131-Y183 HydrophobicContact CD2-CE2 4.39Å; A134-Y183 HydrophobicContact CB-CD2 3.94Å; A134-Y183 HydrophobicContact CB-CG 4.42Å; R137-Y183 PolarHBondContact NH1-O 3.15Å; R137-Y183 VanDerWaalsContact NH1-O 3.07Å; I179-Y183 HydrophobicContact CG2-CE1 4.19Å; I179-Y183 HydrophobicContact CG2-CE2 4.08Å; I179-Y183 WeakPolarHBondContact CG2-OH 2.99Å; I179-Y183 PolarHBondContact O-N 3.48Å; G180-Y183 PolarHBondContact O-N 3.45Å; H181-Y183 VanDerWaalsContact C-N 3.29Å; H181-Y183 PolarHBondContact O-N 3.5Å; Y183-F187 AromaticContact CD1-CD1 3.95Å; Y183-F187 HydrophobicContact CD1-CD1 3.95Å; Y183-F187 AromaticContact CD1-CE1 3.78Å; Y183-F187 HydrophobicContact CD1-CE1 3.78Å; Y183-F187 AromaticContact CE1-CE1 3.96Å; Y183-F187 HydrophobicContact CE1-CE1 3.96Å
184H87.8Confident88.8Confident80 Ų8047.5 Ų47.537%0.3726%0.26SS..  trans-89.3156.5178.9-65.875.6000111.1R137 N182 P186 F187 I188R137-H184 PolarHBondContact NH1-CD2 2.98Å; R137-H184 PolarHBondContact NH1-CE1 3.47Å; R137-H184 PolarHBondContact NH1-ND1 3.41Å; R137-H184 PolarHBondContact NH1-NE2 2.85Å; R137-H184 PolarHBondContact NH2-CD2 3.11Å; R137-H184 PolarHBondContact NH2-NE2 3.42Å; N182-H184 PolarHBondContact O-CE1 2.92Å; N182-H184 PolarHBondContact O-N 3.31Å; N182-H184 VanDerWaalsContact O-N 3.1Å; N182-H184 PolarHBondContact O-ND1 3.33Å; H184-P186 HydrophobicContact CB-CG 4.08Å; H184-F187 PolarHBondContact O-N 2.84Å; H184-I188 PolarHBondContact O-N 2.64Å
185Q87.3Confident87.9Confident96 Ų9645.2 Ų45.245%0.44925%0.247SC..Hα-helixtrans-51.7-50173.8-78.8-69.8-4.100113.9Q138 F187 I188 G189Q138-Q185 HydrophobicContact CG-CG 4.41Å; Q185-F187 VanDerWaalsContact C-N 3.32Å; Q185-F187 PolarHBondContact O-N 3.34Å; Q185-I188 PolarHBondContact O-N 3.43Å; Q185-G189 PolarHBondContact O-N 3.23Å
186P87.7Confident86.8Confident103 Ų10350.3 Ų50.367%0.66927%0.27SS*.Hα-helixtrans-61.2-37.5178.421.8-35.4000113.3H184 G189 A190H184-P186 HydrophobicContact CB-CG 4.08Å; P186-G189 PolarHBondContact O-N 3.1Å; P186-A190 PolarHBondContact O-N 3.18Å
187F88.8Confident85.4Confident84 Ų8453.5 Ų53.537%0.36830%0.296SS..Hα-helixtrans-64.7-44177.1177.5-105.3000111.8L95 I98 Y183 H184 Q185 G189 A190 L191L95-F187 HydrophobicContact CD1-CE1 3.98Å; I98-F187 HydrophobicContact CD1-CZ 4.2Å; Y183-F187 AromaticContact CD1-CD1 3.95Å; Y183-F187 HydrophobicContact CD1-CD1 3.95Å; Y183-F187 AromaticContact CD1-CE1 3.78Å; Y183-F187 HydrophobicContact CD1-CE1 3.78Å; Y183-F187 AromaticContact CE1-CE1 3.96Å; Y183-F187 HydrophobicContact CE1-CE1 3.96Å; H184-F187 PolarHBondContact O-N 2.84Å; Q185-F187 VanDerWaalsContact C-N 3.32Å; Q185-F187 PolarHBondContact O-N 3.34Å; F187-G189 VanDerWaalsContact C-N 3.29Å; F187-G189 PolarHBondContact O-N 3.36Å; F187-A190 PolarHBondContact O-N 2.91Å; F187-L191 HydrophobicContact CD1-CD1 4.26Å; F187-L191 HydrophobicContact CE1-CD1 3.7Å; F187-L191 HydrophobicContact CE1-CG 4.42Å; F187-L191 HydrophobicContact CZ-CD1 4Å; F187-L191 HydrophobicContact CZ-CG 4.4Å; F187-L191 PolarHBondContact O-N 3.14Å; F187-L191 VanDerWaalsContact O-N 3.13Å
188I87.9Confident84Confident1 Ų159 Ų591%0.00533%0.326CS..Hα-helixtrans-66.9-34175.6-70.3169.9000110.8W87 T91 L95 H184 Q185 L191 Q192W87-I188 HydrophobicContact CG-CG2 4.45Å; W87-I188 HydrophobicContact CZ2-CD1 4.49Å; T91-I188 HydrophobicContact CG2-CG2 4.22Å; L95-I188 HydrophobicContact CD2-CD1 4.36Å; L95-I188 HydrophobicContact CD2-CG1 4.49Å; H184-I188 PolarHBondContact O-N 2.64Å; Q185-I188 PolarHBondContact O-N 3.43Å; I188-L191 PolarHBondContact O-N 3.35Å; I188-Q192 VanDerWaalsContact O-CG 3.26Å; I188-Q192 WeakPolarHBondContact O-CG 3.43Å; I188-Q192 PolarHBondContact O-N 2.96Å; I188-Q192 VanDerWaalsContact O-N 3.15Å
189G86.6Confident82.3Confident21 Ų2160.8 Ų60.822%0.21633%0.33CS..Hα-helixtrans-61.7-47171.800000112.5Q185 P186 F187 L191 Q192 E193Q185-G189 PolarHBondContact O-N 3.23Å; P186-G189 PolarHBondContact O-N 3.1Å; F187-G189 VanDerWaalsContact C-N 3.29Å; F187-G189 PolarHBondContact O-N 3.36Å; G189-L191 VanDerWaalsContact C-N 3.28Å; G189-L191 PolarHBondContact O-N 3.42Å; G189-Q192 WeakPolarHBondContact O-CA 3.2Å; G189-Q192 VanDerWaalsContact O-CB 3.31Å; G189-Q192 WeakPolarHBondContact O-CB 3.49Å; G189-Q192 PolarHBondContact O-N 3.37Å; G189-E193 PolarHBondContact O-N 3.42Å
190A86.8Confident80.5Confident53 Ų5363.6 Ų63.644%0.43834%0.341SS..Hα-helixtrans-60.4-36.8176.700000112.6P186 F187 Q192 E193 L194P186-A190 PolarHBondContact O-N 3.18Å; F187-A190 PolarHBondContact O-N 2.91Å; A190-Q192 VanDerWaalsContact C-N 3.26Å; A190-Q192 PolarHBondContact O-N 2.76Å; A190-E193 PolarHBondContact O-N 3.02Å; A190-L194 PolarHBondContact O-N 3.48Å
191L86.8Confident78.9Confident18 Ų1867 Ų679%0.09437%0.37CS..Hα-helixtrans-70.3-21.4172.9-67.6178.5000113.5T91 L94 L95 I98 F187 I188 G189T91-L191 HydrophobicContact CG2-CB 3.85Å; T91-L191 PolarHBondContact OG1-O 2.79Å; L94-L191 HydrophobicContact CD1-CD2 4.46Å; L95-L191 HydrophobicContact CD1-CD1 3.92Å; I98-L191 HydrophobicContact CD1-CD1 4.12Å; I98-L191 HydrophobicContact CD1-CD2 4.03Å; F187-L191 HydrophobicContact CD1-CD1 4.26Å; F187-L191 HydrophobicContact CE1-CD1 3.7Å; F187-L191 HydrophobicContact CE1-CG 4.42Å; F187-L191 HydrophobicContact CZ-CD1 4Å; F187-L191 HydrophobicContact CZ-CG 4.4Å; F187-L191 PolarHBondContact O-N 3.14Å; F187-L191 VanDerWaalsContact O-N 3.13Å; I188-L191 PolarHBondContact O-N 3.35Å; G189-L191 VanDerWaalsContact C-N 3.28Å; G189-L191 PolarHBondContact O-N 3.42Å
192Q86.4Confident77.4Confident22 Ų2275 Ų7510%0.10341%0.405CS..Hα-helixtrans-79.7-40.4173.6-69.8169.9-9.700110.3W87 T91 I188 G189 A190 L194 E195 T211 R214W87-Q192 PolarHBondContact O-NE2 3.04Å; T91-Q192 HydrophobicContact CG2-CG 3.98Å; T91-Q192 WeakPolarHBondContact OG1-CG 3.41Å; I188-Q192 VanDerWaalsContact O-CG 3.26Å; I188-Q192 WeakPolarHBondContact O-CG 3.43Å; I188-Q192 PolarHBondContact O-N 2.96Å; I188-Q192 VanDerWaalsContact O-N 3.15Å; G189-Q192 WeakPolarHBondContact O-CA 3.2Å; G189-Q192 VanDerWaalsContact O-CB 3.31Å; G189-Q192 WeakPolarHBondContact O-CB 3.49Å; G189-Q192 PolarHBondContact O-N 3.37Å; A190-Q192 VanDerWaalsContact C-N 3.26Å; A190-Q192 PolarHBondContact O-N 2.76Å; Q192-L194 PolarHBondContact O-N 2.97Å; Q192-E195 VanDerWaalsContact O-CB 3.26Å; Q192-E195 WeakPolarHBondContact O-CB 3.32Å; Q192-E195 PolarHBondContact O-N 3.18Å; Q192-T211 HydrophobicContact CB-CG2 3.86Å; Q192-T211 HydrophobicContact CG-CG2 3.56Å; Q192-R214 VanDerWaalsContact OE1-NH1 3.08Å
193E81.7Confident76Confident134 Ų13472.7 Ų72.763%0.62639%0.391SS*.Hα-helixtrans-61-32173.9-68.4176.2-176.300112.4G189 A190 E195 E196 A197G189-E193 PolarHBondContact O-N 3.42Å; A190-E193 PolarHBondContact O-N 3.02Å; E193-E195 PolarHBondContact O-N 2.73Å; E193-E196 WeakPolarHBondContact O-CB 3.38Å; E193-E196 PolarHBondContact O-N 2.89Å; E193-A197 PolarHBondContact O-N 3.41Å
194L74.6Confident74.5Confident71 Ų7174.5 Ų74.537%0.37241%0.405SS..Hα-helixtrans-63-27.5174.7-168.367000113.1L94 A190 Q192 A197 I199L94-L194 HydrophobicContact CD1-CD2 3.88Å; A190-L194 PolarHBondContact O-N 3.48Å; Q192-L194 PolarHBondContact O-N 2.97Å; L194-A197 PolarHBondContact O-N 3.36Å; L194-I199 HydrophobicContact CD1-CD1 3.71Å; L194-I199 HydrophobicContact CD2-CD1 4.32Å; L194-I199 HydrophobicContact CG-CD1 3.82Å
195E71.7Confident73.3Confident17 Ų1776.4 Ų76.48%0.07942%0.418CS..Hα-helixtrans-68.7-38.2172.8-173.9179.9157.600111V90 Q192 E193 A197 N198 Y208 T211V90-E195 HydrophobicContact CB-CB 4.24Å; V90-E195 HydrophobicContact CB-CG 3.92Å; V90-E195 HydrophobicContact CG1-CB 4.18Å; V90-E195 HydrophobicContact CG1-CG 4.28Å; V90-E195 HydrophobicContact CG2-CG 3.89Å; Q192-E195 VanDerWaalsContact O-CB 3.26Å; Q192-E195 WeakPolarHBondContact O-CB 3.32Å; Q192-E195 PolarHBondContact O-N 3.18Å; E193-E195 PolarHBondContact O-N 2.73Å; E195-A197 PolarHBondContact O-N 2.8Å; E195-N198 PolarHBondContact O-N 3.19Å; E195-Y208 WeakPolarHBondContact OE1-CE2 3.38Å; E195-T211 PolarHBondContact OE1-N 2.87Å; E195-T211 PolarHBondContact OE1-OG1 3.31Å; E195-T211 WeakPolarHBondContact OE2-CB 3.38Å; E195-T211 WeakPolarHBondContact OE2-CG2 3.34Å; E195-T211 PolarHBondContact OE2-OG1 3.4Å
196E68.1Low71.9Confident117 Ų11781 Ų8155%0.54743%0.431SS..Hα-helixtrans-68.3-22.4177.4-58.2-175.4170.500112.2E193 N198E193-E196 WeakPolarHBondContact O-CB 3.38Å; E193-E196 PolarHBondContact O-N 2.89Å; E196-N198 PolarHBondContact O-N 3.36Å
197A64.4Low70.9Confident67 Ų6779.7 Ų79.755%0.55442%0.417SS*.THydrogen-bonded Turntrans-72.111.5172.800000114.5E193 L194 E195 I199E193-A197 PolarHBondContact O-N 3.41Å; L194-A197 PolarHBondContact O-N 3.36Å; E195-A197 PolarHBondContact O-N 2.8Å; A197-I199 PolarHBondContact O-N 2.98Å
198N63.6Low69.9Low118 Ų11877 Ų7763%0.63141%0.405SS*.THydrogen-bonded Turntrans67.221.6166.3-113.3-5.5000116.6E195 E196 F200 A201E195-N198 PolarHBondContact O-N 3.19Å; E196-N198 PolarHBondContact O-N 3.36Å; N198-F200 PolarHBondContact O-N 3.17Å; N198-F200 VanDerWaalsContact O-N 3.12Å; N198-A201 HydrophobicContact CB-CB 4.47Å; N198-A201 PolarHBondContact O-N 3Å
199I58.5Low69Low109 Ų10977 Ų7756%0.55941%0.405SS*.THydrogen-bonded Turntrans-60.9-23.2176-60178.7000111.9L194 A197L194-I199 HydrophobicContact CD1-CD1 3.71Å; L194-I199 HydrophobicContact CD2-CD1 4.32Å; L194-I199 HydrophobicContact CG-CD1 3.82Å; A197-I199 PolarHBondContact O-N 2.98Å
200F57.1Low68.2Low67 Ų6777.1 Ų77.129%0.29440%0.401SS..THydrogen-bonded Turntrans-114.727.9-178.9-66.7-80.7000114.1V90 N198 F202 I203V90-F200 HydrophobicContact CB-CD2 4.33Å; V90-F200 HydrophobicContact CB-CE2 4.32Å; V90-F200 HydrophobicContact CG1-CD2 3.71Å; V90-F200 HydrophobicContact CG1-CE2 3.43Å; V90-F200 VanDerWaalsContact CG1-CE2 3.43Å; V90-F200 HydrophobicContact CG1-CZ 4.4Å; V90-F200 HydrophobicContact CG2-CD2 3.61Å; V90-F200 HydrophobicContact CG2-CE2 3.96Å; V90-F200 HydrophobicContact CG2-CG 4.08Å; N198-F200 PolarHBondContact O-N 3.17Å; N198-F200 VanDerWaalsContact O-N 3.12Å; F200-F202 PolarHBondContact O-N 3.34Å; F200-I203 HydrophobicContact CD1-CD1 3.86Å; F200-I203 PolarHBondContact O-N 3.27Å; F200-I203 VanDerWaalsContact O-N 3.09Å
201A57.4Low67.2Low73 Ų7375 Ų7560%0.60338%0.383SS*.THydrogen-bonded Turntrans-57.3-10.7179.100000115N198N198-A201 HydrophobicContact CB-CB 4.47Å; N198-A201 PolarHBondContact O-N 3Å
202F59.8Low65.7Low204 Ų20477.4 Ų77.490%0.89540%0.401SS*.THydrogen-bonded Turntrans-86.1-14.2-179.7-144.3-93.4000114F200F200-F202 PolarHBondContact O-N 3.34Å
203I61.8Low63.9Low58 Ų5878.9 Ų78.930%0.29742%0.418SS..SBendtrans-100.6128-174.4-53.8179.1000109.5F200 M207 Y208F200-I203 HydrophobicContact CD1-CD1 3.86Å; F200-I203 PolarHBondContact O-N 3.27Å; F200-I203 VanDerWaalsContact O-N 3.09Å; I203-M207 HydrophobicContact CG2-CB 3.99Å; I203-M207 HydrophobicContact CG2-CG 4.3Å; I203-M207 HydrophobicContact CG2-SD 4.16Å; I203-Y208 HydrophobicContact CB-CD1 4.28Å; I203-Y208 HydrophobicContact CB-CE1 4.22Å; I203-Y208 HydrophobicContact CG2-CD1 3.66Å; I203-Y208 HydrophobicContact CG2-CE1 4.07Å
204P60.3Low62.4Low52 Ų5278.3 Ų78.334%0.33841%0.41SS..  trans-63.5141.5177.9-19.530.4000113W206 M207 Y208P204-W206 HydrophobicContact CB-CD2 4.12Å; P204-W206 VanDerWaalsContact CB-CE2 3.47Å; P204-W206 HydrophobicContact CB-CG 4.19Å; P204-W206 HydrophobicContact CB-CZ2 3.95Å; P204-W206 HydrophobicContact CG-CZ2 3.89Å; P204-W206 PolarHBondContact O-N 2.97Å; P204-M207 WeakPolarHBondContact O-CB 3.3Å; P204-M207 PolarHBondContact O-N 2.84Å; P204-Y208 WeakPolarHBondContact O-CD1 3.49Å; P204-Y208 WeakPolarHBondContact O-CE1 3.49Å
205N61.5Low60.9Low119 Ų11980.1 Ų80.164%0.63642%0.424SS*.THydrogen-bonded Turntrans-59-19.2-177-66.5-31.2000115.5Y208N205-Y208 PolarHBondContact OD1-OH 3.44Å
206W59.2Low59.6Low194 Ų19488.4 Ų88.474%0.73545%0.454SS*.THydrogen-bonded Turntrans-82.8-18.2176.452.9-97.7000113.1P204P204-W206 HydrophobicContact CB-CD2 4.12Å; P204-W206 VanDerWaalsContact CB-CE2 3.47Å; P204-W206 HydrophobicContact CB-CG 4.19Å; P204-W206 HydrophobicContact CB-CZ2 3.95Å; P204-W206 HydrophobicContact CG-CZ2 3.89Å; P204-W206 PolarHBondContact O-N 2.97Å
207M65.1Low58.1Low75 Ų7590 Ų9037%0.36947%0.465SS..SBendtrans-85-12.9-173-165.8169.9-171.900112.5L21 I203 P204L21-M207 WeakPolarHBondContact CB-O 3.26Å; L21-M207 HydrophobicContact CD1-CE 3.89Å; L21-M207 HydrophobicContact CD1-CG 3.86Å; L21-M207 HydrophobicContact CD2-CG 4.26Å; I203-M207 HydrophobicContact CG2-CB 3.99Å; I203-M207 HydrophobicContact CG2-CG 4.3Å; I203-M207 HydrophobicContact CG2-SD 4.16Å; P204-M207 WeakPolarHBondContact O-CB 3.3Å; P204-M207 PolarHBondContact O-N 2.84Å
208Y68Low56.9Low28 Ų2891.5 Ų91.511%0.1147%0.47CS..SBendtrans-143.8172.1-179.269.3-82.6000111E195 I203 P204 N205 P210E195-Y208 WeakPolarHBondContact OE1-CE2 3.38Å; I203-Y208 HydrophobicContact CB-CD1 4.28Å; I203-Y208 HydrophobicContact CB-CE1 4.22Å; I203-Y208 HydrophobicContact CG2-CD1 3.66Å; I203-Y208 HydrophobicContact CG2-CE1 4.07Å; P204-Y208 WeakPolarHBondContact O-CD1 3.49Å; P204-Y208 WeakPolarHBondContact O-CE1 3.49Å; N205-Y208 PolarHBondContact OD1-OH 3.44Å; Y208-P210 HydrophobicContact CE2-CB 4Å; Y208-P210 WeakPolarHBondContact O-CD 3.41Å
209V70.6Confident55.6Low0 Ų095.4 Ų95.40%048%0.476CS..  trans-93.2105.6175.5-174.80000109.1R16 E84 R85 G88 S89R16-V209 HydrophobicContact CB-CG1 3.85Å; E84-V209 HydrophobicContact CG-CG2 4.32Å; R85-V209 HydrophobicContact CG-CG2 4.5Å; G88-V209 WeakPolarHBondContact CA-O 3.38Å; S89-V209 PolarHBondContact N-O 3.01Å; S89-V209 PolarHBondContact OG-N 3.44Å
210P68Low54.6Low23 Ų2399.1 Ų99.115%0.14949%0.488CS..  trans-73.8146.4-177.229.1-34.7000112.4Y208Y208-P210 HydrophobicContact CE2-CB 4Å; Y208-P210 WeakPolarHBondContact O-CD 3.41Å
211T65.6Low53.6Low8 Ų8100.3 Ų100.35%0.04951%0.51CS..G310 helixtrans-69.7-32.9172.533.20000113.7R16 W87 Q192 E195 A213 R214R16-T211 PolarHBondContact NH2-O 3.42Å; R16-T211 VanDerWaalsContact NH2-O 3.12Å; W87-T211 WeakPolarHBondContact O-CG2 3.46Å; Q192-T211 HydrophobicContact CB-CG2 3.86Å; Q192-T211 HydrophobicContact CG-CG2 3.56Å; E195-T211 PolarHBondContact OE1-N 2.87Å; E195-T211 PolarHBondContact OE1-OG1 3.31Å; E195-T211 WeakPolarHBondContact OE2-CB 3.38Å; E195-T211 WeakPolarHBondContact OE2-CG2 3.34Å; E195-T211 PolarHBondContact OE2-OG1 3.4Å; T211-A213 PolarHBondContact O-N 3.29Å; T211-R214 PolarHBondContact O-N 3.41Å
212S56.3Low52.5Low69 Ų69102.8 Ų102.848%0.48352%0.518SS..G310 helixtrans-58.7-15.4-175.663.90000114.8R214 V215S212-R214 PolarHBondContact O-N 3.49Å; S212-V215 PolarHBondContact O-N 3.15Å
213A49.7Very low51.3Low54 Ų5498.1 Ų98.145%0.44651%0.51SS..G310 helixtrans-64.6-14172.100000114R16 T211R16-A213 HydrophobicContact CG-CB 4.44Å; T211-A213 PolarHBondContact O-N 3.29Å
214R49.2Very low50Low122 Ų122104 Ų10446%0.4654%0.537SS..G310 helixtrans-82.7-19.3174.7-110.3-169-94.5147.76.7114.2R16 R86 Q192 T211 S212R16-R214 VanDerWaalsContact NH2-CB 3.29Å; R86-R214 PolarHBondContact O-NH2 2.88Å; Q192-R214 VanDerWaalsContact OE1-NH1 3.08Å; T211-R214 PolarHBondContact O-N 3.41Å; S212-R214 PolarHBondContact O-N 3.49Å
215V44Very low48.6Very low109 Ų109112.3 Ų112.366%0.66156%0.561SS**THydrogen-bonded Turntrans-103.4-14.6-172.2-173.90000112.6S212 L217S212-V215 PolarHBondContact O-N 3.15Å; V215-L217 PolarHBondContact O-N 3.38Å
216R42.6Very low47.1Very low191 Ų191111.8 Ų111.872%0.72157%0.567SS**SBendtrans-7196.7164.5-83-175.7174.9166.5-1108.9
217L36.8Very low45.6Very low149 Ų149108.6 Ų108.678%0.7857%0.568SS**  trans-38.6147.7160.2-79.4145000110V215 R219V215-L217 PolarHBondContact O-N 3.38Å; L217-R219 PolarHBondContact O-N 2.89Å
218P39.9Very low44Very low100 Ų100110.7 Ų110.765%0.64959%0.587SS**  trans-54.8112.2172.831.7000107.4F220P218-F220 VanDerWaalsContact C-N 3.28Å; P218-F220 PolarHBondContact O-N 3.35Å
219R36.2Very low42.2Very low200 Ų200118 Ų11876%0.75562%0.623SS**  trans-60.2107.5157.7-77.4-174.6-165.4144.3-3.8103.4L217 A221L217-R219 PolarHBondContact O-N 2.89Å; R219-A221 PolarHBondContact O-N 3.49Å
220F37.4Very low40.4Very low187 Ų187127.2 Ų127.282%0.8266%0.663SS**  trans-53.4103.8160.2-69.8-81.4000104.6P218 T222P218-F220 VanDerWaalsContact C-N 3.28Å; P218-F220 PolarHBondContact O-N 3.35Å; F220-T222 PolarHBondContact O-N 3.39Å
221A36.2Very low38.6Very low91 Ų91135.1 Ų135.175%0.75270%0.7SS**  trans-57.4103.9163.400000104R219 S223R219-A221 PolarHBondContact O-N 3.49Å; A221-S223 PolarHBondContact O-N 3.29Å
222T34.9Very low37Very low126 Ų126139.3 Ų139.377%0.77374%0.736SS**  trans-58.788.1157.527.90000104.7F220 H224F220-T222 PolarHBondContact O-N 3.39Å; T222-H224 PolarHBondContact O-N 3.18Å
223S34.2Very low35.8Very low105 Ų105142.5 Ų142.573%0.73475%0.752SS**  trans-49.4110.6167.8-1780000105.5A221 R225A221-S223 PolarHBondContact O-N 3.29Å; S223-R225 VanDerWaalsContact C-N 3.26Å; S223-R225 PolarHBondContact O-N 3.48Å
224H34Very low35Very low183 Ų183146.7 Ų146.785%0.84777%0.767SS**  trans-51.499.5169.4-91.7-103.6000106.6T222 S226T222-H224 PolarHBondContact O-N 3.18Å; H224-S226 VanDerWaalsContact C-N 3.3Å; H224-S226 PolarHBondContact O-N 3.44Å
225R30.9Very low34.2Very low226 Ų226149.7 Ų149.785%0.85379%0.786SS**  trans-64.5101.1168.2-167.8175.6-171.9166.71.1104.7S223 V227S223-R225 VanDerWaalsContact C-N 3.26Å; S223-R225 PolarHBondContact O-N 3.48Å; R225-V227 PolarHBondContact O-N 3.44Å
226S29.6Very low33.5Very low108 Ų108149 Ų14976%0.75579%0.792SS**  trans-52.7104.8169.950.70000108.3H224 P228H224-S226 VanDerWaalsContact C-N 3.3Å; H224-S226 PolarHBondContact O-N 3.44Å; S226-P228 WeakPolarHBondContact O-CD 3.26Å
227V29Very low32.9Very low127 Ų127144.4 Ų144.477%0.7780%0.795SS**PPolyproline II helixtrans-75.9119.2168.7177.20000106.4R225 Q229R225-V227 PolarHBondContact O-N 3.44Å; V227-Q229 PolarHBondContact O-N 3.04Å
228P30.4Very low33Very low118 Ų118143.3 Ų143.377%0.76680%0.796SS**PPolyproline II helixtrans-68.7126172-13.428.6000109.3S226 F230S226-P228 WeakPolarHBondContact O-CD 3.26Å; P228-F230 PolarHBondContact O-N 3.45Å
229Q31.8Very low33.1Very low182 Ų182144.2 Ų144.285%0.8580%0.802SS**PPolyproline II helixtrans-61.4118.5173.7-99.2161.8-24.200111.3V227V227-Q229 PolarHBondContact O-N 3.04Å
230F31.9Very low33.9Very low194 Ų194139.8 Ų139.885%0.85180%0.799SS**  trans46.2109.8137.7-78-97.2000119.4P228P228-F230 PolarHBondContact O-N 3.45Å
231M30.2Very low33.5Very low188 Ų188137.3 Ų137.393%0.92680%0.799SS**PPolyproline II helixtrans-77.6116.6142.6-73.8-149.1172.300108.6
232A31.1Very low33.1Very low97 Ų97144.3 Ų144.380%0.80281%0.806SS**PPolyproline II helixtrans-71.2131.217300000110.1
233V31.9Very low32.8Very low136 Ų136145.6 Ų145.682%0.82481%0.808SS**PPolyproline II helixtrans-83.1131.3172.2171.80000108.7
234D32.3Very low33.4Very low141 Ų141145.5 Ų145.575%0.75481%0.805SS**PPolyproline II helixtrans-49.1139.6173.5-82.4-48.9000113.4
235H33.5Very low33.2Very low185 Ų185143.4 Ų143.486%0.85681%0.805SS**  -166.8103.8129.9-85.8-45.6000112.3
236A29.1Very low33.2Very low96 Ų96137.2 Ų137.279%0.79380%0.802SS**  trans55.1120.4131.300000124.3
237A30.4Very low33.2Very low94 Ų94142.3 Ų142.378%0.77781%0.807SS**  trans111.2155133.800000118.1
238P39.1Very low33.3Very low125 Ų125142.8 Ų142.881%0.81281%0.805SS**  -120.9-178-79.829.3-8.6000113.9
239P41.3Very low33.1Very low119 Ų119143.6 Ų143.677%0.77380%0.802SS**  trans-109.1-151.3-154.437.6-22.5000114.6
240P52.3Low33Very low107 Ų107142.8 Ų142.870%0.69580%0.798SS**  -130.4159.5-68.535-18.7000113
241V28.8Very low32.9Very low135 Ų135141.8 Ų141.882%0.81880%0.796SS**  trans-151.8117.2157.7-1700000114.6
242R28.9Very low32.8Very low239 Ų239143 Ų14390%0.90279%0.791SS**  trans70.2108.4149.5-78.2176.6169162.2-3123.5
243D27.7Very low32.7Very low153 Ų153145.6 Ų145.682%0.81879%0.788SS**  trans-59.2-179.3143.8-88.1-28.9000115.2
244P47.5Very low33Very low102 Ų102148.1 Ų148.166%0.66279%0.791SS**  cis-139.3-171.2-16.527.2-3.3000114.8
245T30.1Very low33.6Very low139 Ų139146.9 Ų146.985%0.85379%0.79SS**  trans112.8134.915766.50000114.4
246A29.3Very low34.2Very low96 Ų96144.2 Ų144.279%0.79379%0.789SS**  cis-161.7169.9-3.200000109
247Y30.5Very low35Very low216 Ų216143.9 Ų143.985%0.84778%0.781SS**  trans-64.8144.7-172-78.9-114.6000116.2
248N30.8Very low35.7Very low136 Ų136142.6 Ų142.673%0.72777%0.765SS**  trans40.5136.1138.3-68-81.8000121.7
249L27.1Very low36.1Very low135 Ų135140 Ų14071%0.70775%0.753SS**  161.6150.9101.2-155.871.2000112
250H30.1Very low36.3Very low165 Ų165142.5 Ų142.576%0.76475%0.748SS**  trans92.5100.9176.3-56.4-65.8000114
251Q28.9Very low36Very low174 Ų174139.4 Ų139.481%0.81373%0.727SS**  cis45.19733.8-155.2170.77.700112.6
252W28.5Very low37.1Very low214 Ų214139.3 Ų139.381%0.81172%0.719SS**  trans-173.5115.9134.1-107.557.2000111.2
253M28.7Very low38.1Very low151 Ų151134.8 Ų134.874%0.74471%0.708SS**  trans57.999.7147.7-71.6172.1-167.500121.2
254E37.7Very low39.3Very low189 Ų189132 Ų13288%0.88370%0.697SS**PPolyproline II helixtrans-100139141.5-91.7169.9153.500109.2
255P45.7Very low39.3Very low114 Ų114133.3 Ų133.374%0.7469%0.694SS**PPolyproline II helixtrans-68.5149.4179.228-32.4000111.1S257P255-S257 PolarHBondContact O-N 3.33Å
256P45.1Very low40.3Very low129 Ų129129.2 Ų129.284%0.83867%0.674SS**PPolyproline II helixtrans-65.9122.9178.726.6-31.2000109.7
257S47.4Very low41.2Very low90 Ų90127.5 Ų127.563%0.62966%0.66SS**PPolyproline II helixtrans-57.8138.1169.645.80000109.7P255P255-S257 PolarHBondContact O-N 3.33Å
258P44.3Very low42.2Very low67 Ų67119.5 Ų119.544%0.43564%0.639SS.*PPolyproline II helixtrans-68.1140.3-173.327.5-34.7000111.2W260 V261P258-W260 HydrophobicContact CG-CZ2 4.25Å; P258-W260 VanDerWaalsContact CG-NE1 3.25Å; P258-W260 PolarHBondContact O-N 3.42Å; P258-V261 HydrophobicContact CG-CG2 4.33Å; P258-V261 PolarHBondContact O-N 2.86Å
259A48Very low43.3Very low69 Ų69115.8 Ų115.857%0.5763%0.626SS**Hα-helixtrans-51.4-25.9-168.700000115.8V261 M262 E263A259-V261 VanDerWaalsContact C-N 3.34Å; A259-V261 PolarHBondContact O-N 2.98Å; A259-M262 PolarHBondContact O-N 2.88Å; A259-E263 PolarHBondContact O-N 3.26Å
260W45.5Very low44.7Very low172 Ų172113.2 Ų113.265%0.65262%0.616SS**Hα-helixtrans-69-28178.662.2-91000113.4P258 M262 V264P258-W260 HydrophobicContact CG-CZ2 4.25Å; P258-W260 VanDerWaalsContact CG-NE1 3.25Å; P258-W260 PolarHBondContact O-N 3.42Å; W260-M262 VanDerWaalsContact C-N 3.34Å; W260-V264 VanDerWaalsContact O-CG2 3.27Å; W260-V264 WeakPolarHBondContact O-CG2 3.5Å; W260-V264 PolarHBondContact O-N 3.01Å; W260-V264 VanDerWaalsContact O-N 3.09Å
261V46.6Very low46Very low43 Ų43108.4 Ų108.426%0.26160%0.601SS.*Hα-helixtrans-71.9-34.2175.4-179.30000110.5P258 A259 Q265P258-V261 HydrophobicContact CG-CG2 4.33Å; P258-V261 PolarHBondContact O-N 2.86Å; A259-V261 VanDerWaalsContact C-N 3.34Å; A259-V261 PolarHBondContact O-N 2.98Å; V261-Q265 WeakPolarHBondContact O-CB 3.43Å; V261-Q265 VanDerWaalsContact O-CG 3.26Å; V261-Q265 WeakPolarHBondContact O-CG 3.2Å; V261-Q265 PolarHBondContact O-N 3.08Å; V261-Q265 VanDerWaalsContact O-N 3.07Å
262M50.5Low47.4Very low132 Ų132107 Ų10765%0.6560%0.595SS**Hα-helixtrans-73-35.7176.5-162169.972.500111.7A259 W260 A266A259-M262 PolarHBondContact O-N 2.88Å; W260-M262 VanDerWaalsContact C-N 3.34Å; M262-A266 WeakPolarHBondContact O-CB 3.21Å; M262-A266 PolarHBondContact O-N 2.86Å
263E50.5Low49Very low144 Ų14499.5 Ų99.567%0.67358%0.578SS**Hα-helixtrans-68.3-38.7173.5-90175.5158.200113A259 A266 A267A259-E263 PolarHBondContact O-N 3.26Å; E263-A266 PolarHBondContact O-N 2.68Å; E263-A267 WeakPolarHBondContact O-CB 3.49Å; E263-A267 PolarHBondContact O-N 3.43Å
264V52.8Low50.7Low95 Ų9598.3 Ų98.358%0.57657%0.571SS**Hα-helixtrans-69.9-39.3176.5173.90000111.1W260 A267 A268W260-V264 VanDerWaalsContact O-CG2 3.27Å; W260-V264 WeakPolarHBondContact O-CG2 3.5Å; W260-V264 PolarHBondContact O-N 3.01Å; W260-V264 VanDerWaalsContact O-N 3.09Å; V264-A267 PolarHBondContact O-N 3.35Å; V264-A268 VanDerWaalsContact O-CB 3.32Å; V264-A268 WeakPolarHBondContact O-CB 3.35Å; V264-A268 PolarHBondContact O-N 3Å
265Q47.3Very low52.3Low130 Ų13093.3 Ų93.361%0.60755%0.553SS**Hα-helixtrans-70-36.5174.7-73.1170.2-600112.1V261 A269V261-Q265 WeakPolarHBondContact O-CB 3.43Å; V261-Q265 VanDerWaalsContact O-CG 3.26Å; V261-Q265 WeakPolarHBondContact O-CG 3.2Å; V261-Q265 PolarHBondContact O-N 3.08Å; V261-Q265 VanDerWaalsContact O-N 3.07Å; Q265-A269 VanDerWaalsContact O-CB 3.23Å; Q265-A269 WeakPolarHBondContact O-CB 3.4Å; Q265-A269 PolarHBondContact O-N 3.04Å
266A50.2Low53.5Low52 Ų5293.1 Ų93.143%0.4355%0.545SS..Hα-helixtrans-68.8-39.8173.100000111.8M262 E263 A269 V270M262-A266 WeakPolarHBondContact O-CB 3.21Å; M262-A266 PolarHBondContact O-N 2.86Å; E263-A266 PolarHBondContact O-N 2.68Å; A266-A269 PolarHBondContact O-N 2.62Å; A266-V270 WeakPolarHBondContact O-CB 2.97Å; A266-V270 WeakPolarHBondContact O-CG2 3.48Å; A266-V270 PolarHBondContact O-N 3.36Å
267A49.2Very low54.9Low61 Ų6193.2 Ų93.250%0.50453%0.534SS..Hα-helixtrans-67.3-38.3175.700000112.2E263 V264 S271E263-A267 WeakPolarHBondContact O-CB 3.49Å; E263-A267 PolarHBondContact O-N 3.43Å; V264-A267 PolarHBondContact O-N 3.35Å; A267-S271 WeakPolarHBondContact O-CB 3.02Å; A267-S271 PolarHBondContact O-N 3.43Å
268A50.8Low56.3Low48 Ų4894.8 Ų94.840%0.39753%0.532SS..Hα-helixtrans-66.7-44.1173.300000111.7V264 V270 S271 E272V264-A268 VanDerWaalsContact O-CB 3.32Å; V264-A268 WeakPolarHBondContact O-CB 3.35Å; V264-A268 PolarHBondContact O-N 3Å; A268-V270 VanDerWaalsContact C-N 3.34Å; A268-V270 PolarHBondContact O-N 2.91Å; A268-S271 PolarHBondContact O-N 3.31Å; A268-E272 WeakPolarHBondContact O-CG 3.24Å; A268-E272 PolarHBondContact O-N 2.9Å
269A54.5Low57.8Low57 Ų5797.7 Ų97.747%0.47154%0.539SS..Hα-helixtrans-66.2-33.6176.500000112.9Q265 A266 A273Q265-A269 VanDerWaalsContact O-CB 3.23Å; Q265-A269 WeakPolarHBondContact O-CB 3.4Å; Q265-A269 PolarHBondContact O-N 3.04Å; A266-A269 PolarHBondContact O-N 2.62Å; A269-A273 VanDerWaalsContact O-CB 3.26Å; A269-A273 WeakPolarHBondContact O-CB 3.49Å; A269-A273 PolarHBondContact O-N 3.46Å
270V56Low59.1Low81 Ų81100.3 Ų100.349%0.49154%0.543SS..Hα-helixtrans-70-40.6173.31700000110.7A266 A268 A273 E274A266-V270 WeakPolarHBondContact O-CB 2.97Å; A266-V270 WeakPolarHBondContact O-CG2 3.48Å; A266-V270 PolarHBondContact O-N 3.36Å; A268-V270 VanDerWaalsContact C-N 3.34Å; A268-V270 PolarHBondContact O-N 2.91Å; V270-A273 PolarHBondContact O-N 2.84Å; V270-E274 HydrophobicContact CG1-CG 4.46Å; V270-E274 WeakPolarHBondContact O-CB 3.44Å; V270-E274 WeakPolarHBondContact O-CG 3.13Å; V270-E274 PolarHBondContact O-N 2.9Å
271S57.6Low60.3Low65 Ų6596.8 Ų96.846%0.45554%0.537SS..Hα-helixtrans-64.9-40175.6-174.70000112.4A267 A268 V275A267-S271 WeakPolarHBondContact O-CB 3.02Å; A267-S271 PolarHBondContact O-N 3.43Å; A268-S271 PolarHBondContact O-N 3.31Å; S271-V275 VanDerWaalsContact O-CG2 3.23Å; S271-V275 WeakPolarHBondContact O-CG2 3.23Å; S271-V275 PolarHBondContact O-N 2.91Å; S271-V275 VanDerWaalsContact O-N 3.09Å
272E58.2Low61.7Low145 Ų145103.2 Ų103.268%0.67856%0.556SS**Hα-helixtrans-69.6-36.6176.1-72.5-178.7178.100111.7A268 L276A268-E272 WeakPolarHBondContact O-CG 3.24Å; A268-E272 PolarHBondContact O-N 2.9Å; E272-L276 WeakPolarHBondContact O-CB 3.38Å; E272-L276 PolarHBondContact O-N 3.5Å
273A62.9Low62.8Low55 Ų5599.6 Ų99.646%0.45555%0.548SS..Hα-helixtrans-68.4-39.3175.500000112.7A269 V270 L276 E277A269-A273 VanDerWaalsContact O-CB 3.26Å; A269-A273 WeakPolarHBondContact O-CB 3.49Å; A269-A273 PolarHBondContact O-N 3.46Å; V270-A273 PolarHBondContact O-N 2.84Å; A273-L276 PolarHBondContact O-N 3.41Å; A273-E277 WeakPolarHBondContact O-CB 3.48Å; A273-E277 PolarHBondContact O-N 3.5Å
274E64.6Low63.9Low126 Ų12694.7 Ų94.759%0.58954%0.535SS*.Hα-helixtrans-66.5-40.2175.2-76.6-178.8168.700111.6V270 E277 E278V270-E274 HydrophobicContact CG1-CG 4.46Å; V270-E274 WeakPolarHBondContact O-CB 3.44Å; V270-E274 WeakPolarHBondContact O-CG 3.13Å; V270-E274 PolarHBondContact O-N 2.9Å; E274-E277 PolarHBondContact O-N 3.34Å; E274-E278 WeakPolarHBondContact O-CB 3.41Å; E274-E278 PolarHBondContact O-N 3.47Å
275V70.5Confident64.4Low85 Ų8594.5 Ų94.552%0.51553%0.53SS..Hα-helixtrans-65.5-41174.9172.10000111S271 E278 E279S271-V275 VanDerWaalsContact O-CG2 3.23Å; S271-V275 WeakPolarHBondContact O-CG2 3.23Å; S271-V275 PolarHBondContact O-N 2.91Å; S271-V275 VanDerWaalsContact O-N 3.09Å; V275-E278 PolarHBondContact O-N 3.27Å; V275-E279 PolarHBondContact O-N 2.83Å
276L71Confident65.4Low110 Ų11093.3 Ų93.358%0.57653%0.526SS*.Hα-helixtrans-67.2-39176.5-168.475.6000111.7E272 A273 E279 L280E272-L276 WeakPolarHBondContact O-CB 3.38Å; E272-L276 PolarHBondContact O-N 3.5Å; A273-L276 PolarHBondContact O-N 3.41Å; L276-E279 PolarHBondContact O-N 3.37Å; L276-L280 WeakPolarHBondContact O-CB 3.42Å; L276-L280 PolarHBondContact O-N 3.31Å
277E75.3Confident66.2Low130 Ų13093.2 Ų93.261%0.60753%0.525SS*.Hα-helixtrans-64.5-43.1176.1-174.2176.2-179.500111.2A273 E274 L280 L281A273-E277 WeakPolarHBondContact O-CB 3.48Å; A273-E277 PolarHBondContact O-N 3.5Å; E274-E277 PolarHBondContact O-N 3.34Å; E277-L280 PolarHBondContact O-N 3.44Å; E277-L281 WeakPolarHBondContact O-CB 3.37Å; E277-L281 PolarHBondContact O-N 3.07Å
278E75.5Confident66.9Low123 Ų12394.6 Ų94.658%0.57553%0.531SS*.Hα-helixtrans-63-41.1175-17191.9-159.800111.6E274 V275 L281 R282E274-E278 WeakPolarHBondContact O-CB 3.41Å; E274-E278 PolarHBondContact O-N 3.47Å; V275-E278 PolarHBondContact O-N 3.27Å; E278-L281 PolarHBondContact O-N 2.84Å; E278-R282 WeakPolarHBondContact O-CB 3Å; E278-R282 PolarHBondContact O-N 2.72Å
279E76.2Confident67Low128 Ų12897.8 Ų97.860%0.59854%0.541SS*.Hα-helixtrans-66.5-41.2174.6-80.8-164.2157.200112.5V275 L276 L281 R282 A283V275-E279 PolarHBondContact O-N 2.83Å; L276-E279 PolarHBondContact O-N 3.37Å; E279-L281 VanDerWaalsContact C-N 3.32Å; E279-R282 PolarHBondContact O-N 3.28Å; E279-A283 VanDerWaalsContact O-CB 3.28Å; E279-A283 WeakPolarHBondContact O-CB 3.3Å; E279-A283 PolarHBondContact O-N 2.89Å
280L74.6Confident67Low125 Ų125102 Ų10265%0.65455%0.551SS**Hα-helixtrans-66.6-36.8175.8-122.6170.8000111.5L276 E277 A283 G284L276-L280 WeakPolarHBondContact O-CB 3.42Å; L276-L280 PolarHBondContact O-N 3.31Å; E277-L280 PolarHBondContact O-N 3.44Å; L280-A283 PolarHBondContact O-N 3.34Å; L280-G284 PolarHBondContact O-N 3.14Å
281L72.4Confident66.6Low98 Ų98105.1 Ų105.151%0.51357%0.565SS.*Hα-helixtrans-70.4-41.1177.6-161.7148.8000110.5E277 E278 E279 G284 I285E277-L281 WeakPolarHBondContact O-CB 3.37Å; E277-L281 PolarHBondContact O-N 3.07Å; E278-L281 PolarHBondContact O-N 2.84Å; E279-L281 VanDerWaalsContact C-N 3.32Å; L281-G284 PolarHBondContact O-N 3.07Å; L281-I285 HydrophobicContact CD2-CD1 3.54Å; L281-I285 HydrophobicContact CD2-CG1 4.31Å; L281-I285 VanDerWaalsContact O-CG1 3.26Å; L281-I285 WeakPolarHBondContact O-CG1 3.39Å; L281-I285 PolarHBondContact O-N 3.14Å
282R75.6Confident65.9Low177 Ų177104.8 Ų104.867%0.66857%0.566SS**Hα-helixtrans-62-44169.7-85.8-176.1171.3-152.9-2.1112.4E278 E279 G284 I285 M286E278-R282 WeakPolarHBondContact O-CB 3Å; E278-R282 PolarHBondContact O-N 2.72Å; E279-R282 PolarHBondContact O-N 3.28Å; R282-G284 VanDerWaalsContact C-N 3.33Å; R282-I285 PolarHBondContact O-N 3.08Å; R282-M286 WeakPolarHBondContact O-CB 3.16Å; R282-M286 VanDerWaalsContact O-CG 3.27Å; R282-M286 WeakPolarHBondContact O-CG 3.37Å; R282-M286 PolarHBondContact O-N 3.42Å
283A73.9Confident65.1Low57 Ų57102.5 Ų102.547%0.47156%0.564SS.*Hα-helixtrans-64.7-38.5176.900000111.5E279 L280 M286 A287E279-A283 VanDerWaalsContact O-CB 3.28Å; E279-A283 WeakPolarHBondContact O-CB 3.3Å; E279-A283 PolarHBondContact O-N 2.89Å; L280-A283 PolarHBondContact O-N 3.34Å; A283-M286 PolarHBondContact O-N 3.24Å; A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 3.27Å
284G72.8Confident64.3Low40 Ų40108.6 Ų108.641%0.41259%0.588SS.*Hα-helixtrans-66.3-40.717500000112.9L280 L281 R282 S288L280-G284 PolarHBondContact O-N 3.14Å; L281-G284 PolarHBondContact O-N 3.07Å; R282-G284 VanDerWaalsContact C-N 3.33Å; G284-S288 VanDerWaalsContact O-CB 3.22Å; G284-S288 WeakPolarHBondContact O-CB 3.31Å; G284-S288 PolarHBondContact O-N 3.33Å
285I63.7Low63.3Low91 Ų91107.5 Ų107.547%0.46759%0.591SS.*Hα-helixtrans-64.1-46.1173.6-70.3170000110.4L281 R282 S288 L289L281-I285 HydrophobicContact CD2-CD1 3.54Å; L281-I285 HydrophobicContact CD2-CG1 4.31Å; L281-I285 VanDerWaalsContact O-CG1 3.26Å; L281-I285 WeakPolarHBondContact O-CG1 3.39Å; L281-I285 PolarHBondContact O-N 3.14Å; R282-I285 PolarHBondContact O-N 3.08Å; I285-S288 PolarHBondContact O-N 3.27Å; I285-L289 HydrophobicContact CG2-CD1 3.83Å; I285-L289 WeakPolarHBondContact O-CB 3.01Å; I285-L289 PolarHBondContact O-N 3.39Å
286M67.4Low62Low106 Ų106109.1 Ų109.152%0.52259%0.591SS.*Hα-helixtrans-66-40.8179.4-72.6-69.1-68.900112.4R282 A283 L289 Q290R282-M286 WeakPolarHBondContact O-CB 3.16Å; R282-M286 VanDerWaalsContact O-CG 3.27Å; R282-M286 WeakPolarHBondContact O-CG 3.37Å; R282-M286 PolarHBondContact O-N 3.42Å; A283-M286 PolarHBondContact O-N 3.24Å; M286-L289 PolarHBondContact O-N 3.01Å; M286-Q290 WeakPolarHBondContact O-CB 3.42Å; M286-Q290 WeakPolarHBondContact O-CG 3.48Å; M286-Q290 PolarHBondContact O-N 3.24Å
287A67.4Low60.7Low49 Ų49110.5 Ų110.541%0.40560%0.603SS.*Hα-helixtrans-65.3-41.5174.500000111.4A283 L289 Q290 D291A283-A287 WeakPolarHBondContact O-CB 3.3Å; A283-A287 PolarHBondContact O-N 3.27Å; A287-L289 VanDerWaalsContact C-N 3.27Å; A287-L289 PolarHBondContact O-N 3.08Å; A287-Q290 PolarHBondContact O-N 2.92Å; A287-D291 PolarHBondContact O-N 3.49Å
288S63.9Low59.2Low91 Ų91111.7 Ų111.764%0.63661%0.609SS**Hα-helixtrans-69.1-24176.4-165.40000113.2G284 I285G284-S288 VanDerWaalsContact O-CB 3.22Å; G284-S288 WeakPolarHBondContact O-CB 3.31Å; G284-S288 PolarHBondContact O-N 3.33Å; I285-S288 PolarHBondContact O-N 3.27Å
289L53.6Low57.7Low114 Ų114110.1 Ų110.160%0.59761%0.607SS**Hα-helixtrans-81.2-31.8170.9-92.2153.2000112.4I285 M286 A287 A292I285-L289 HydrophobicContact CG2-CD1 3.83Å; I285-L289 WeakPolarHBondContact O-CB 3.01Å; I285-L289 PolarHBondContact O-N 3.39Å; M286-L289 PolarHBondContact O-N 3.01Å; A287-L289 VanDerWaalsContact C-N 3.27Å; A287-L289 PolarHBondContact O-N 3.08Å; L289-A292 WeakPolarHBondContact O-CB 3.43Å; L289-A292 PolarHBondContact O-N 2.93Å
290Q54.9Low56Low147 Ų147108.1 Ų108.169%0.68761%0.606SS**Hα-helixtrans-77.3-23176.7-79.2165.6-16.400113.1M286 A287 A292M286-Q290 WeakPolarHBondContact O-CB 3.42Å; M286-Q290 WeakPolarHBondContact O-CG 3.48Å; M286-Q290 PolarHBondContact O-N 3.24Å; A287-Q290 PolarHBondContact O-N 2.92Å; Q290-A292 PolarHBondContact O-N 3.32Å
291D47.2Very low54.8Low145 Ų145108.5 Ų108.578%0.77560%0.602SS**THydrogen-bonded Turntrans-81.42.9169.4-98.5-12.9000113.6A287 P293A287-D291 PolarHBondContact O-N 3.49Å; D291-P293 WeakPolarHBondContact O-CD 3.48Å
292A41.8Very low53.6Low58 Ų58109 Ų10948%0.47961%0.614SS.*SBendtrans-87.1105.2165.900000108.6L289 Q290 D294L289-A292 WeakPolarHBondContact O-CB 3.43Å; L289-A292 PolarHBondContact O-N 2.93Å; Q290-A292 PolarHBondContact O-N 3.32Å; A292-D294 PolarHBondContact O-N 3Å
293P41.5Very low52.4Low98 Ų98105.5 Ų105.564%0.63662%0.616SS**  trans-62.4137.3169.227.8-33.7000108.7D291 T295D291-P293 WeakPolarHBondContact O-CD 3.48Å; P293-T295 PolarHBondContact O-N 3.18Å
294D45.5Very low51.3Low182 Ų182104.3 Ų104.397%0.97360%0.604SS**SBendtrans-63.829.7172.9-99.2-29.7000113.6A292A292-D294 PolarHBondContact O-N 3Å
295T44.6Very low50.7Low103 Ų103104.9 Ų104.963%0.63260%0.601SS**SBendtrans-128.1103.9-178.951.60000109.8P293P293-T295 PolarHBondContact O-N 3.18Å
296K43.5Very low50.8Low119 Ų119105.3 Ų105.352%0.51761%0.612SS.*  trans39.197.5146.1-150.6173.9-169.9178.40115.3E298K296-E298 PolarHBondContact O-N 3.48Å
297V43.9Very low50.7Low139 Ų139105.4 Ų105.484%0.84261%0.614SS**  trans-63.7103176.5178.80000110.6V299V297-V299 HydrophobicContact CG1-CG2 4.32Å
298E43.4Very low50.6Low155 Ų155108 Ų10872%0.72461%0.613SS**  trans-86.9114.8175.3-65.8-173.6168.700110.4K296K296-E298 PolarHBondContact O-N 3.48Å
299V44.9Very low50.8Low90 Ų90105.5 Ų105.555%0.54559%0.593SS.*  trans-96.2122.5176.4-173.10000110V297 K301 A327V297-V299 HydrophobicContact CG1-CG2 4.32Å; V299-K301 PolarHBondContact O-N 3.34Å; V299-A327 HydrophobicContact CG1-CB 4.19Å
300P40.3Very low51.5Low87 Ų87105.5 Ų105.557%0.56559%0.59SS**  trans-65.3128.3177.8-19.730.9000112.6S302P300-S302 PolarHBondContact O-N 3.36Å
301K47.7Very low52.3Low132 Ų132102.6 Ų102.657%0.57458%0.576SS**G310 helixtrans-60-5.2179.7-68.8-177.4177.2-178.90115.8V299 S303 V350V299-K301 PolarHBondContact O-N 3.34Å; K301-S303 VanDerWaalsContact C-N 3.33Å; K301-S303 PolarHBondContact O-N 3.34Å; K301-V350 HydrophobicContact CD-CG1 4.42Å
302S48.7Very low53.2Low109 Ų10995.7 Ų95.776%0.76254%0.539SS*.G310 helixtrans-81.4-7.2-176.956.30000114.6P300P300-S302 PolarHBondContact O-N 3.36Å
303S50.1Low54.7Low103 Ų10398.2 Ų98.272%0.7254%0.541SS*.G310 helixtrans-100.412.1-175.4-55.80000114.3K301K301-S303 VanDerWaalsContact C-N 3.33Å; K301-S303 PolarHBondContact O-N 3.34Å
304V51Low56.3Low33 Ų33102.2 Ų102.220%0.255%0.548CS..SBendtrans-108.9120.8-174-168.70000109.5S306 L309 V323 L326V304-S306 PolarHBondContact O-N 2.93Å; V304-S306 VanDerWaalsContact O-N 3.11Å; V304-L309 HydrophobicContact CG1-CB 4.5Å; V304-L309 HydrophobicContact CG1-CD1 4.18Å; V304-V323 HydrophobicContact CG2-CG1 4.32Å; V304-L326 HydrophobicContact CG1-CB 4.27Å; V304-L326 HydrophobicContact CG1-CD1 4.06Å
305S60.8Low57Low52 Ų5298.5 Ų98.536%0.36453%0.526SS..  trans-65.3111.6175.161.10000109.7L307 R308 L309S305-L307 PolarHBondContact O-N 3.35Å; S305-L307 VanDerWaalsContact O-N 3.11Å; S305-R308 PolarHBondContact O-N 2.99Å; S305-R308 VanDerWaalsContact O-N 3.08Å; S305-R308 WeakPolarHBondContact OG-CB 3.45Å; S305-R308 VanDerWaalsContact OG-CD 3.25Å; S305-R308 WeakPolarHBondContact OG-CD 3.22Å; S305-R308 VanDerWaalsContact OG-CG 3.26Å; S305-R308 WeakPolarHBondContact OG-CG 3.34Å; S305-L309 PolarHBondContact O-N 2.78Å
306S64.1Low58.1Low99 Ų9996.7 Ų96.769%0.69253%0.529SS*.Hα-helixtrans-51.1-35.3-178.351.30000113.6V304 Q310V304-S306 PolarHBondContact O-N 2.93Å; V304-S306 VanDerWaalsContact O-N 3.11Å; S306-Q310 WeakPolarHBondContact O-CB 3.45Å; S306-Q310 PolarHBondContact O-N 3.23Å
307L66Low59.4Low108 Ų10893.3 Ų93.357%0.56551%0.514SS*.Hα-helixtrans-67.5-38.6-179.4-168.5145.2000113.3S305 Q310 Q311S305-L307 PolarHBondContact O-N 3.35Å; S305-L307 VanDerWaalsContact O-N 3.11Å; L307-Q310 PolarHBondContact O-N 2.96Å; L307-Q311 HydrophobicContact CD2-CG 4.47Å; L307-Q311 WeakPolarHBondContact O-CG 3.46Å; L307-Q311 PolarHBondContact O-N 3.25Å; L307-Q311 VanDerWaalsContact O-N 3.08Å
308R65Low61Low103 Ų10390.3 Ų90.339%0.38950%0.497SS..Hα-helixtrans-75.8-33.2179.9-63.5-177.2-177.7159.1-4.9112S305 Q311 L312 L326 K330 L332S305-R308 PolarHBondContact O-N 2.99Å; S305-R308 VanDerWaalsContact O-N 3.08Å; S305-R308 WeakPolarHBondContact OG-CB 3.45Å; S305-R308 VanDerWaalsContact OG-CD 3.25Å; S305-R308 WeakPolarHBondContact OG-CD 3.22Å; S305-R308 VanDerWaalsContact OG-CG 3.26Å; S305-R308 WeakPolarHBondContact OG-CG 3.34Å; R308-Q311 PolarHBondContact O-N 3Å; R308-L312 PolarHBondContact O-N 3.44Å; R308-L312 VanDerWaalsContact O-N 3.08Å; R308-L326 HydrophobicContact CB-CD1 4.31Å; R308-L326 HydrophobicContact CB-CD2 4.07Å; R308-K330 PolarHBondContact NH1-O 3.43Å; R308-L332 HydrophobicContact CB-CD1 4.21Å
309L68.4Low62.2Low39 Ų3985.9 Ų85.920%0.20448%0.481CS..Hα-helixtrans-63.9-44.7172.3-159.9173.6000110V304 S305 Q311 L312 E313 T319 V323 L326V304-L309 HydrophobicContact CG1-CB 4.5Å; V304-L309 HydrophobicContact CG1-CD1 4.18Å; S305-L309 PolarHBondContact O-N 2.78Å; L309-Q311 VanDerWaalsContact C-N 3.27Å; L309-Q311 PolarHBondContact O-N 2.79Å; L309-L312 PolarHBondContact O-N 3.28Å; L309-E313 PolarHBondContact O-N 2.76Å; L309-T319 HydrophobicContact CD2-CG2 4.29Å; L309-V323 HydrophobicContact CD1-CG2 3.44Å; L309-V323 VanDerWaalsContact CD1-CG2 3.44Å; L309-V323 HydrophobicContact CG-CG2 4.05Å; L309-L326 HydrophobicContact CB-CD1 4.13Å
310Q68.9Low63.3Low115 Ų11589 Ų8954%0.53749%0.489SS..Hα-helixtrans-64.2-31176.4-164.717817.200112.9S306 L307 K314S306-Q310 WeakPolarHBondContact O-CB 3.45Å; S306-Q310 PolarHBondContact O-N 3.23Å; L307-Q310 PolarHBondContact O-N 2.96Å; Q310-K314 WeakPolarHBondContact O-CB 3.39Å; Q310-K314 PolarHBondContact O-N 3.38Å
311Q70.9Confident64.7Low86 Ų8688.2 Ų88.240%0.40248%0.477SS..Hα-helixtrans-69.6-42173.5-75.9173.9-30.800112.2L307 R308 L309 K314 M315 L332L307-Q311 HydrophobicContact CD2-CG 4.47Å; L307-Q311 WeakPolarHBondContact O-CG 3.46Å; L307-Q311 PolarHBondContact O-N 3.25Å; L307-Q311 VanDerWaalsContact O-N 3.08Å; R308-Q311 PolarHBondContact O-N 3Å; L309-Q311 VanDerWaalsContact C-N 3.27Å; L309-Q311 PolarHBondContact O-N 2.79Å; Q311-K314 PolarHBondContact O-N 3.39Å; Q311-M315 WeakPolarHBondContact O-CG 3.31Å; Q311-M315 PolarHBondContact O-N 3.42Å; Q311-L332 HydrophobicContact CB-CD1 4.46Å
312L65.4Low65.7Low0 Ų082 Ų820%045%0.45CS..Hα-helixtrans-67.5-38.3175.9-71.7173.6000112.5R308 L309 M315 G316 F317 A322 L326 L332 A335 I336 L339R308-L312 PolarHBondContact O-N 3.44Å; R308-L312 VanDerWaalsContact O-N 3.08Å; L309-L312 PolarHBondContact O-N 3.28Å; L312-M315 HydrophobicContact CD2-CE 3.97Å; L312-M315 CarbonylContact O-C 3.35Å; L312-M315 PolarHBondContact O-N 2.9Å; L312-M315 VanDerWaalsContact O-N 3.12Å; L312-G316 PolarHBondContact O-N 3.29Å; L312-F317 HydrophobicContact CD2-CD2 4.03Å; L312-F317 HydrophobicContact CD2-CE2 4.44Å; L312-F317 PolarHBondContact O-N 3.22Å; L312-A322 HydrophobicContact CB-CB 4.08Å; L312-A322 HydrophobicContact CD1-CB 3.9Å; L312-L326 HydrophobicContact CD1-CD1 3.61Å; L312-L326 HydrophobicContact CD1-CD2 4.12Å; L312-L326 HydrophobicContact CD1-CG 3.65Å; L312-L332 HydrophobicContact CD1-CD1 4.19Å; L312-L332 HydrophobicContact CD2-CD1 3.85Å; L312-L332 HydrophobicContact CG-CD1 3.68Å; L312-A335 HydrophobicContact CD1-CB 4.22Å; L312-I336 HydrophobicContact CD2-CD1 4.32Å; L312-I336 HydrophobicContact CD2-CG1 3.48Å; L312-I336 VanDerWaalsContact CD2-CG1 3.48Å; L312-L339 HydrophobicContact CD1-CD1 4.22Å; L312-L339 HydrophobicContact CD2-CD1 4.18Å
313E73.8Confident66.6Low111 Ų11178.2 Ų78.252%0.51942%0.423SS..Hα-helixtrans-63-43.3174.2-174.2-179-172.900111.3L309 M315 G316 T319L309-E313 PolarHBondContact O-N 2.76Å; E313-M315 PolarHBondContact O-N 2.95Å; E313-G316 PolarHBondContact O-N 3.03Å; E313-T319 HydrophobicContact CB-CG2 4.47Å; E313-T319 HydrophobicContact CG-CG2 4.15Å
314K74.7Confident67.5Low181 Ų18175.3 Ų75.379%0.78740%0.4SS*.Hα-helixtrans-62.6-23.2173.4-87.9-170.1173.6-174.30113.7Q310 Q311 G316Q310-K314 WeakPolarHBondContact O-CB 3.39Å; Q310-K314 PolarHBondContact O-N 3.38Å; Q311-K314 PolarHBondContact O-N 3.39Å; K314-G316 VanDerWaalsContact C-N 3.31Å
315M61.1Low68.3Low104 Ų10473.8 Ų73.851%0.51239%0.391SS..THydrogen-bonded Turntrans-883.1173.5-67.4-156.8-65.900113.4Q311 L312 E313 F317 I336Q311-M315 WeakPolarHBondContact O-CG 3.31Å; Q311-M315 PolarHBondContact O-N 3.42Å; L312-M315 HydrophobicContact CD2-CE 3.97Å; L312-M315 CarbonylContact O-C 3.35Å; L312-M315 PolarHBondContact O-N 2.9Å; L312-M315 VanDerWaalsContact O-N 3.12Å; E313-M315 PolarHBondContact O-N 2.95Å; M315-F317 HydrophobicContact CB-CD2 3.91Å; M315-F317 HydrophobicContact CB-CE2 3.9Å; M315-F317 HydrophobicContact CE-CE2 4.26Å; M315-I336 HydrophobicContact CE-CD1 3.47Å; M315-I336 VanDerWaalsContact CE-CD1 3.47Å; M315-I336 HydrophobicContact CE-CG1 3.83Å
316G68.4Low68.7Low66 Ų6671.7 Ų71.768%0.6838%0.376SS*.THydrogen-bonded Turntrans88.410.5173.200000115.1L312 E313 K314L312-G316 PolarHBondContact O-N 3.29Å; E313-G316 PolarHBondContact O-N 3.03Å; K314-G316 VanDerWaalsContact C-N 3.31Å
317F69.9Low68.9Low48 Ų4868.7 Ų68.721%0.21136%0.357CS..  trans-81.5137.6178.9-65.9-74000112L312 M315 T319 L339 I340L312-F317 HydrophobicContact CD2-CD2 4.03Å; L312-F317 HydrophobicContact CD2-CE2 4.44Å; L312-F317 PolarHBondContact O-N 3.22Å; M315-F317 HydrophobicContact CB-CD2 3.91Å; M315-F317 HydrophobicContact CB-CE2 3.9Å; M315-F317 HydrophobicContact CE-CE2 4.26Å; F317-T319 PolarHBondContact O-N 2.61Å; F317-L339 HydrophobicContact CB-CD1 4.14Å; F317-L339 HydrophobicContact CD1-CB 3.86Å; F317-L339 HydrophobicContact CD1-CD1 4.12Å; F317-L339 HydrophobicContact CD1-CG 4.43Å; F317-L339 HydrophobicContact CD2-CD1 4.43Å; F317-L339 HydrophobicContact CE1-CB 3.89Å; F317-L339 HydrophobicContact CG-CD1 3.98Å; F317-I340 HydrophobicContact CZ-CG1 4.29Å
318P77Confident69Low76 Ų7667.1 Ų67.149%0.49436%0.36SS..  trans-61.9129.5177.823-30.4000110.6E320 K321 A322P318-E320 PolarHBondContact O-N 3.03Å; P318-K321 HydrophobicContact CG-CB 4.21Å; P318-K321 HydrophobicContact CG-CD 4.14Å; P318-K321 HydrophobicContact CG-CG 4.23Å; P318-K321 PolarHBondContact O-N 3.44Å; P318-A322 WeakPolarHBondContact O-CB 3.49Å; P318-A322 PolarHBondContact O-N 2.9Å
319T68.4Low69Low62 Ų6264.2 Ų64.238%0.3835%0.354SS..Hα-helixtrans-59.1-32.8-170.651.80000112.9L309 E313 F317 A322 V323L309-T319 HydrophobicContact CD2-CG2 4.29Å; E313-T319 HydrophobicContact CB-CG2 4.47Å; E313-T319 HydrophobicContact CG-CG2 4.15Å; F317-T319 PolarHBondContact O-N 2.61Å; T319-A322 PolarHBondContact O-N 3.34Å; T319-V323 WeakPolarHBondContact O-CB 3.32Å; T319-V323 WeakPolarHBondContact O-CG2 3.32Å; T319-V323 PolarHBondContact O-N 2.96Å
320E69.1Low68.9Low154 Ų15470.3 Ų70.372%0.7238%0.379SS*.Hα-helixtrans-65.2-48.7178.5-62.6176178.200112P318 V324P318-E320 PolarHBondContact O-N 3.03Å; E320-V324 WeakPolarHBondContact O-CG2 2.98Å; E320-V324 PolarHBondContact O-N 3.19Å
321K68.5Low68.8Low72 Ų7271.3 Ų71.331%0.31338%0.383SS..Hα-helixtrans-68.9-37.8176.2-66.7-169.5171.1-172.50111.3P318 V323 V324 A325 L339 D342 I344P318-K321 HydrophobicContact CG-CB 4.21Å; P318-K321 HydrophobicContact CG-CD 4.14Å; P318-K321 HydrophobicContact CG-CG 4.23Å; P318-K321 PolarHBondContact O-N 3.44Å; K321-V323 VanDerWaalsContact C-N 3.34Å; K321-V323 PolarHBondContact O-N 2.91Å; K321-V324 PolarHBondContact O-N 3.5Å; K321-A325 WeakPolarHBondContact O-CB 3.4Å; K321-A325 PolarHBondContact O-N 3.03Å; K321-L339 HydrophobicContact CB-CD2 3.52Å; K321-D342 IonicContact NZ-OD1 4Å; K321-D342 PolarHBondContact NZ-OD1 3.29Å; K321-D342 IonicContact NZ-OD2 2.73Å; K321-I344 HydrophobicContact CB-CD1 4.05Å
322A69.9Low68.6Low1 Ų169 Ų691%0.00837%0.373CS..Hα-helixtrans-64.4-37.2179.900000113L312 P318 T319 L326 L339L312-A322 HydrophobicContact CB-CB 4.08Å; L312-A322 HydrophobicContact CD1-CB 3.9Å; P318-A322 WeakPolarHBondContact O-CB 3.49Å; P318-A322 PolarHBondContact O-N 2.9Å; T319-A322 PolarHBondContact O-N 3.34Å; A322-L326 VanDerWaalsContact O-CB 3.26Å; A322-L326 WeakPolarHBondContact O-CB 3.38Å; A322-L326 VanDerWaalsContact O-CG 3.31Å; A322-L326 WeakPolarHBondContact O-CG 3.31Å; A322-L326 PolarHBondContact O-N 2.94Å; A322-L339 HydrophobicContact CB-CD1 4.27Å
323V67.7Low68.9Low30 Ų3074.5 Ų74.518%0.18240%0.403CS..Hα-helixtrans-65.3-43.2175.1167.50000111.2V304 L309 T319 K321 A327V304-V323 HydrophobicContact CG2-CG1 4.32Å; L309-V323 HydrophobicContact CD1-CG2 3.44Å; L309-V323 VanDerWaalsContact CD1-CG2 3.44Å; L309-V323 HydrophobicContact CG-CG2 4.05Å; T319-V323 WeakPolarHBondContact O-CB 3.32Å; T319-V323 WeakPolarHBondContact O-CG2 3.32Å; T319-V323 PolarHBondContact O-N 2.96Å; K321-V323 VanDerWaalsContact C-N 3.34Å; K321-V323 PolarHBondContact O-N 2.91Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.49Å; V323-A327 PolarHBondContact O-N 2.94Å
324V69.3Low68.7Low41 Ų4170.4 Ų70.425%0.24839%0.39CS..Hα-helixtrans-67.2-44.7178.6177.50000110.8E320 K321 L326 A327 A328 I344 A348E320-V324 WeakPolarHBondContact O-CG2 2.98Å; E320-V324 PolarHBondContact O-N 3.19Å; K321-V324 PolarHBondContact O-N 3.5Å; V324-L326 PolarHBondContact O-N 2.78Å; V324-A327 PolarHBondContact O-N 3.18Å; V324-A328 WeakPolarHBondContact O-CB 3.46Å; V324-A328 PolarHBondContact O-N 3.4Å; V324-I344 HydrophobicContact CB-CG2 4.42Å; V324-I344 HydrophobicContact CG1-CG2 3.97Å; V324-A348 HydrophobicContact CG1-CB 4.3Å; V324-A348 HydrophobicContact CG2-CB 4.16Å
325A67.4Low68.3Low1 Ų161.8 Ų61.81%0.00835%0.353CS..Hα-helixtrans-62.7-41.9177.300000112.4K321 A328 T329 A335 L339 I344K321-A325 WeakPolarHBondContact O-CB 3.4Å; K321-A325 PolarHBondContact O-N 3.03Å; A325-A328 PolarHBondContact O-N 3.1Å; A325-T329 PolarHBondContact O-N 2.83Å; A325-T329 PolarHBondContact O-OG1 3.41Å; A325-A335 HydrophobicContact CB-CB 3.92Å; A325-L339 HydrophobicContact CB-CD1 4.18Å; A325-L339 HydrophobicContact CB-CD2 4.21Å; A325-L339 HydrophobicContact CB-CG 3.88Å; A325-I344 HydrophobicContact CB-CD1 3.91Å
326L68.6Low68.4Low9 Ų958.2 Ų58.25%0.04734%0.336CS..Hα-helixtrans-67.6-37.2174.9-80.6169.8000112.5V304 R308 L309 L312 A322 V324 A328 K330 A335V304-L326 HydrophobicContact CG1-CB 4.27Å; V304-L326 HydrophobicContact CG1-CD1 4.06Å; R308-L326 HydrophobicContact CB-CD1 4.31Å; R308-L326 HydrophobicContact CB-CD2 4.07Å; L309-L326 HydrophobicContact CB-CD1 4.13Å; L312-L326 HydrophobicContact CD1-CD1 3.61Å; L312-L326 HydrophobicContact CD1-CD2 4.12Å; L312-L326 HydrophobicContact CD1-CG 3.65Å; A322-L326 VanDerWaalsContact O-CB 3.26Å; A322-L326 WeakPolarHBondContact O-CB 3.38Å; A322-L326 VanDerWaalsContact O-CG 3.31Å; A322-L326 WeakPolarHBondContact O-CG 3.31Å; A322-L326 PolarHBondContact O-N 2.94Å; V324-L326 PolarHBondContact O-N 2.78Å; L326-A328 VanDerWaalsContact C-N 3.34Å; L326-K330 VanDerWaalsContact O-CA 3.29Å; L326-K330 WeakPolarHBondContact O-CA 3.5Å; L326-K330 PolarHBondContact O-N 3.35Å; L326-A335 HydrophobicContact CD2-CB 3.91Å; L326-A335 HydrophobicContact CG-CB 4.03Å
327A68.8Low68.6Low35 Ų3558.3 Ų58.329%0.28933%0.326SS..Hα-helixtrans-65.3-39.2175.300000111.7V299 V323 V324V299-A327 HydrophobicContact CG1-CB 4.19Å; V323-A327 VanDerWaalsContact O-CB 3.28Å; V323-A327 WeakPolarHBondContact O-CB 3.49Å; V323-A327 PolarHBondContact O-N 2.94Å; V324-A327 PolarHBondContact O-N 3.18Å
328A67.2Low68.4Low76 Ų7658.7 Ų58.763%0.62833%0.33SS*.Hα-helixtrans-69-42.4178.800000112.8V324 A325 L326 L338V324-A328 WeakPolarHBondContact O-CB 3.46Å; V324-A328 PolarHBondContact O-N 3.4Å; A325-A328 PolarHBondContact O-N 3.1Å; L326-A328 VanDerWaalsContact C-N 3.34Å; A328-L338 HydrophobicContact CB-CD1 4.4Å
329T66.3Low67.9Low42 Ų4255.9 Ų55.926%0.25831%0.31SS..Hα-helixtrans-105-21.9-168.757.40000114.6A325 Q331 A335 L338A325-T329 PolarHBondContact O-N 2.83Å; A325-T329 PolarHBondContact O-OG1 3.41Å; T329-Q331 PolarHBondContact O-N 3.38Å; T329-Q331 PolarHBondContact OG1-O 2.9Å; T329-A335 PolarHBondContact OG1-N 2.99Å; T329-L338 HydrophobicContact CG2-CD1 3.35Å; T329-L338 HydrophobicContact CG2-CG 4.2Å
330K65.4Low67.9Low167 Ų16758.8 Ų58.873%0.72632%0.322SS*.SBendtrans54.90.9-173.9-61.6-178.3178.6175.30115.6R308 L326R308-K330 PolarHBondContact NH1-O 3.43Å; L326-K330 VanDerWaalsContact O-CA 3.29Å; L326-K330 WeakPolarHBondContact O-CA 3.5Å; L326-K330 PolarHBondContact O-N 3.35Å
331Q66.9Low67.8Low135 Ų13558.3 Ų58.363%0.63132%0.32SS*.SBendtrans-126.1142179.4-70.1-174.7-11.100110.1T329 A335T329-Q331 PolarHBondContact O-N 3.38Å; T329-Q331 PolarHBondContact OG1-O 2.9Å; Q331-A335 PolarHBondContact O-N 2.97Å; Q331-A335 VanDerWaalsContact O-N 3.09Å
332L66.6Low67.4Low37 Ų3759.9 Ų59.919%0.19433%0.332CS..Hα-helixtrans-64.1-47.3-174.3-175.970.9000111.8R308 Q311 L312 G334 A335 I336R308-L332 HydrophobicContact CB-CD1 4.21Å; Q311-L332 HydrophobicContact CB-CD1 4.46Å; L312-L332 HydrophobicContact CD1-CD1 4.19Å; L312-L332 HydrophobicContact CD2-CD1 3.85Å; L312-L332 HydrophobicContact CG-CD1 3.68Å; L332-G334 VanDerWaalsContact C-N 3.32Å; L332-G334 PolarHBondContact O-N 3.38Å; L332-A335 WeakPolarHBondContact O-CB 3.39Å; L332-A335 PolarHBondContact O-N 3.18Å; L332-A335 VanDerWaalsContact O-N 3.17Å; L332-I336 HydrophobicContact CD1-CD1 4.48Å; L332-I336 HydrophobicContact CD2-CD1 4.48Å; L332-I336 HydrophobicContact CG-CD1 3.9Å; L332-I336 VanDerWaalsContact O-CG1 3.25Å; L332-I336 WeakPolarHBondContact O-CG1 3.34Å; L332-I336 PolarHBondContact O-N 2.9Å
333D71.3Confident66.7Low116 Ų11663.6 Ų63.662%0.6236%0.358SS*.Hα-helixtrans-67.6-33.2-175.9-55.7-40.3000112.7S337D333-S337 PolarHBondContact O-N 3.14Å; D333-S337 VanDerWaalsContact O-N 3.1Å; D333-S337 PolarHBondContact O-OG 3.18Å
334G70.3Confident66.1Low25 Ų2563.4 Ų63.426%0.25836%0.355SS..Hα-helixtrans-68.7-41.2171.900000112.4L332 S337 L338L332-G334 VanDerWaalsContact C-N 3.32Å; L332-G334 PolarHBondContact O-N 3.38Å; G334-S337 PolarHBondContact O-N 3.26Å; G334-L338 PolarHBondContact O-N 2.9Å; G334-L338 VanDerWaalsContact O-N 3.12Å
335A65.8Low65.1Low0 Ų064.2 Ų64.20%037%0.372CS..Hα-helixtrans-64.9-39.2175.900000112L312 A325 L326 T329 Q331 L332 L338 L339L312-A335 HydrophobicContact CD1-CB 4.22Å; A325-A335 HydrophobicContact CB-CB 3.92Å; L326-A335 HydrophobicContact CD2-CB 3.91Å; L326-A335 HydrophobicContact CG-CB 4.03Å; T329-A335 PolarHBondContact OG1-N 2.99Å; Q331-A335 PolarHBondContact O-N 2.97Å; Q331-A335 VanDerWaalsContact O-N 3.09Å; L332-A335 WeakPolarHBondContact O-CB 3.39Å; L332-A335 PolarHBondContact O-N 3.18Å; L332-A335 VanDerWaalsContact O-N 3.17Å; A335-L338 PolarHBondContact O-N 2.81Å; A335-L339 WeakPolarHBondContact O-CB 3.16Å; A335-L339 WeakPolarHBondContact O-CD1 3.32Å; A335-L339 WeakPolarHBondContact O-CG 3.02Å; A335-L339 PolarHBondContact O-N 2.93Å; A335-L339 VanDerWaalsContact O-N 3.08Å
336I64.6Low64.2Low30 Ų3073.5 Ų73.515%0.15442%0.415CS..Hα-helixtrans-62.1-44.7175-65.7161.7000110.4L312 M315 L332 L338 L339 I340L312-I336 HydrophobicContact CD2-CD1 4.32Å; L312-I336 HydrophobicContact CD2-CG1 3.48Å; L312-I336 VanDerWaalsContact CD2-CG1 3.48Å; M315-I336 HydrophobicContact CE-CD1 3.47Å; M315-I336 VanDerWaalsContact CE-CD1 3.47Å; M315-I336 HydrophobicContact CE-CG1 3.83Å; L332-I336 HydrophobicContact CD1-CD1 4.48Å; L332-I336 HydrophobicContact CD2-CD1 4.48Å; L332-I336 HydrophobicContact CG-CD1 3.9Å; L332-I336 VanDerWaalsContact O-CG1 3.25Å; L332-I336 WeakPolarHBondContact O-CG1 3.34Å; L332-I336 PolarHBondContact O-N 2.9Å; I336-L338 PolarHBondContact O-N 3.45Å; I336-L339 PolarHBondContact O-N 3.3Å; I336-I340 HydrophobicContact CG2-CD1 3.52Å; I336-I340 HydrophobicContact CG2-CG1 4.19Å; I336-I340 VanDerWaalsContact O-CG1 3.27Å; I336-I340 WeakPolarHBondContact O-CG1 3.24Å; I336-I340 PolarHBondContact O-N 3.32Å
337S71.3Confident62.9Low67 Ų6781.5 Ų81.547%0.46945%0.452SS..Hα-helixtrans-61.7-44.2-179.8-56.50000111.8D333 G334 L339 I340 E341D333-S337 PolarHBondContact O-N 3.14Å; D333-S337 VanDerWaalsContact O-N 3.1Å; D333-S337 PolarHBondContact O-OG 3.18Å; G334-S337 PolarHBondContact O-N 3.26Å; S337-L339 VanDerWaalsContact C-N 3.31Å; S337-L339 PolarHBondContact O-N 2.92Å; S337-I340 PolarHBondContact O-N 2.97Å; S337-E341 WeakPolarHBondContact O-CB 3.27Å; S337-E341 PolarHBondContact O-N 3.1Å
338L65.4Low61.7Low56 Ų5682.6 Ų82.629%0.29346%0.461SS..Hα-helixtrans-66.2-30.9176.1-70.9-179.5000113.8A328 T329 G334 A335 I336 D342 S343A328-L338 HydrophobicContact CB-CD1 4.4Å; T329-L338 HydrophobicContact CG2-CD1 3.35Å; T329-L338 HydrophobicContact CG2-CG 4.2Å; G334-L338 PolarHBondContact O-N 2.9Å; G334-L338 VanDerWaalsContact O-N 3.12Å; A335-L338 PolarHBondContact O-N 2.81Å; I336-L338 PolarHBondContact O-N 3.45Å; L338-D342 PolarHBondContact O-N 3.27Å; L338-S343 PolarHBondContact O-N 3.3Å
339L66.4Low60.4Low17 Ų1783 Ų839%0.08946%0.456CS..Hα-helixtrans-76.9-32.3176.8-72.2164.7000112.5L312 F317 K321 A322 A325 A335 I336 S337 I344L312-L339 HydrophobicContact CD1-CD1 4.22Å; L312-L339 HydrophobicContact CD2-CD1 4.18Å; F317-L339 HydrophobicContact CB-CD1 4.14Å; F317-L339 HydrophobicContact CD1-CB 3.86Å; F317-L339 HydrophobicContact CD1-CD1 4.12Å; F317-L339 HydrophobicContact CD1-CG 4.43Å; F317-L339 HydrophobicContact CD2-CD1 4.43Å; F317-L339 HydrophobicContact CE1-CB 3.89Å; F317-L339 HydrophobicContact CG-CD1 3.98Å; K321-L339 HydrophobicContact CB-CD2 3.52Å; A322-L339 HydrophobicContact CB-CD1 4.27Å; A325-L339 HydrophobicContact CB-CD1 4.18Å; A325-L339 HydrophobicContact CB-CD2 4.21Å; A325-L339 HydrophobicContact CB-CG 3.88Å; A335-L339 WeakPolarHBondContact O-CB 3.16Å; A335-L339 WeakPolarHBondContact O-CD1 3.32Å; A335-L339 WeakPolarHBondContact O-CG 3.02Å; A335-L339 PolarHBondContact O-N 2.93Å; A335-L339 VanDerWaalsContact O-N 3.08Å; I336-L339 PolarHBondContact O-N 3.3Å; S337-L339 VanDerWaalsContact C-N 3.31Å; S337-L339 PolarHBondContact O-N 2.92Å; L339-I344 HydrophobicContact CD2-CD1 3.57Å; L339-I344 HydrophobicContact CG-CD1 4.23Å
340I69.4Low59.1Low123 Ų12384.3 Ų84.363%0.63146%0.464SS*.Hα-helixtrans-73.6-36.6176-69.8171.1000110.8F317 I336 S337 D342F317-I340 HydrophobicContact CZ-CG1 4.29Å; I336-I340 HydrophobicContact CG2-CD1 3.52Å; I336-I340 HydrophobicContact CG2-CG1 4.19Å; I336-I340 VanDerWaalsContact O-CG1 3.27Å; I336-I340 WeakPolarHBondContact O-CG1 3.24Å; I336-I340 PolarHBondContact O-N 3.32Å; S337-I340 PolarHBondContact O-N 2.97Å; I340-D342 VanDerWaalsContact C-N 3.26Å; I340-D342 PolarHBondContact O-N 3.42Å
341E66.8Low57.6Low144 Ų14481.2 Ų81.267%0.67346%0.459SS*.THydrogen-bonded Turntrans-86.57.5-177.5-151.7164.9-159.900113.3S337 S343S337-E341 WeakPolarHBondContact O-CB 3.27Å; S337-E341 PolarHBondContact O-N 3.1Å; E341-S343 PolarHBondContact O-N 3.43Å; E341-S343 PolarHBondContact O-OG 3.07Å
342D60.8Low56.2Low105 Ų10579.2 Ų79.256%0.56146%0.46SS*.THydrogen-bonded Turntrans4228.9-179.1-146.213.7000115K321 L338 I340 I344K321-D342 IonicContact NZ-OD1 4Å; K321-D342 PolarHBondContact NZ-OD1 3.29Å; K321-D342 IonicContact NZ-OD2 2.73Å; L338-D342 PolarHBondContact O-N 3.27Å; I340-D342 VanDerWaalsContact C-N 3.26Å; I340-D342 PolarHBondContact O-N 3.42Å; D342-I344 PolarHBondContact O-N 2.88Å; D342-I344 VanDerWaalsContact O-N 3.1Å
343S55.1Low54.5Low79 Ų7987.9 Ų87.955%0.55250%0.496SS*.  trans-83.918.9-171.8-63.30000113.1L338 E341L338-S343 PolarHBondContact O-N 3.3Å; E341-S343 PolarHBondContact O-N 3.43Å; E341-S343 PolarHBondContact O-OG 3.07Å
344I53.9Low52.6Low26 Ų2685.6 Ų85.613%0.13350%0.5CS..SBendtrans-9997.1179.7-54.6170.7000107.2K321 V324 A325 L339 D342K321-I344 HydrophobicContact CB-CD1 4.05Å; V324-I344 HydrophobicContact CB-CG2 4.42Å; V324-I344 HydrophobicContact CG1-CG2 3.97Å; A325-I344 HydrophobicContact CB-CD1 3.91Å; L339-I344 HydrophobicContact CD2-CD1 3.57Å; L339-I344 HydrophobicContact CG-CD1 4.23Å; D342-I344 PolarHBondContact O-N 2.88Å; D342-I344 VanDerWaalsContact O-N 3.1Å
345G47.9Very low50.7Low58 Ų5893.8 Ų93.860%0.59853%0.528SS*.  trans-54.1138.6-179.100000112.8Q347G345-Q347 PolarHBondContact O-N 3.21Å
346E48.7Very low49Very low196 Ų19699.2 Ų99.292%0.91657%0.566SS**THydrogen-bonded Turntrans-63.55.8-170.6-59.7-167.215500116.1
347Q42.2Very low47.3Very low177 Ų177106.1 Ų106.183%0.82760%0.597SS**THydrogen-bonded Turntrans-102.33-174.8-70.3-179.419.600115.1G345 V349G345-Q347 PolarHBondContact O-N 3.21Å; Q347-V349 PolarHBondContact O-N 2.99Å; Q347-V349 VanDerWaalsContact O-N 3.08Å
348A43Very low45.8Very low58 Ų58108.2 Ų108.248%0.47961%0.61SS.*  trans-82.481.1176.700000112V324V324-A348 HydrophobicContact CG1-CB 4.3Å; V324-A348 HydrophobicContact CG2-CB 4.16Å
349V40.6Very low44.4Very low86 Ų86111.8 Ų111.852%0.52164%0.636SS.*PPolyproline II helixtrans-90.8123178.3176.60000111.1Q347 V351Q347-V349 PolarHBondContact O-N 2.99Å; Q347-V349 VanDerWaalsContact O-N 3.08Å; V349-V351 HydrophobicContact CG1-CG2 4.49Å
350V38Very low43Very low68 Ų68120 Ų12041%0.41267%0.674SS.*PPolyproline II helixtrans-94.5116.8178.5-179.90000110.4K301K301-V350 HydrophobicContact CD-CG1 4.42Å
351V34.9Very low41Very low103 Ų103123.6 Ų123.662%0.62469%0.688SS**PPolyproline II helixtrans-98.5138176-172.60000111V349V349-V351 HydrophobicContact CG1-CG2 4.49Å
352S37.2Very low39.4Very low93 Ų93121.9 Ų121.965%0.6569%0.692SS**PPolyproline II helixtrans-90.5119.9171.342.40000110.6G354S352-G354 PolarHBondContact O-N 3.44Å; S352-G354 VanDerWaalsContact O-N 3.12Å
353K31.8Very low38.3Very low218 Ų218126.3 Ų126.395%0.94873%0.727SS**  trans-8098.3175.1-146.5-177.8-172.5178.60110.9
354G31.4Very low37.5Very low68 Ų68128.7 Ų128.770%0.70174%0.735SS**  trans49.3112.1132.100000120.9S352S352-G354 PolarHBondContact O-N 3.44Å; S352-G354 VanDerWaalsContact O-N 3.12Å
355K29.3Very low36.6Very low197 Ų197134.1 Ų134.186%0.85777%0.767SS**  trans-69122.8149.5-173159.1178.9168.40108.7
356S29.4Very low36Very low114 Ų114138.3 Ų138.380%0.79778%0.776SS**  trans-75.6126.1176.946.60000111.7
357H30.7Very low35.3Very low175 Ų175134.9 Ų134.981%0.8177%0.768SS**  trans-105.7141.9160.5-95.5-78.5000109.9
358P38.2Very low34.8Very low112 Ų112132.3 Ų132.373%0.72776%0.764SS**PPolyproline II helixtrans-88.5169.7-171.536.7-34.9000113.2
359P37.3Very low34.3Very low131 Ų131137.3 Ų137.385%0.85178%0.783SS**PPolyproline II helixtrans-84.6159.9-166.533.3-33.2000115
360Q35.9Very low33.8Very low190 Ų190140.9 Ų140.989%0.88880%0.802SS**PPolyproline II helixtrans-61156.1-174-68.3171.8-55.200116.4
361Q28.9Very low33.5Very low198 Ų198146.5 Ų146.593%0.92583%0.832SS**  trans-151.7130.9136.6-107.1173.2-5.300110.3
362S31.6Very low33.4Very low107 Ų107150.2 Ų150.275%0.74885%0.85SS**  trans-93.8166162.650.70000108.8
363P39Very low33.1Very low199 Ų199155.4 Ų155.4100%1.29287%0.868SS**  cis-103.4046.221.6-6.9000116.1

Retrieved 363 of 363 residues in 512 ms (Link to these results)

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