A0A087X0R6_HUMAN Loading...

Sorting nexin 12

AlphaFold DB , UniProt , Accession A0A087X0R6, Species HUMAN (Homo sapiens, Human), Gene SNX12, Length 172 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
1M43Very low63Low247 Ų247150.1 Ų150.1100%1.21782%0.822SS**  0130.10-75.8172.1167.400106.6
2S50Low64.6Low113 Ų113151.2 Ų151.279%0.7982%0.824SS**  trans-70.9128.6-161.7-17.90000112.3T4S2-T4 PolarHBondContact O-N 2.83Å
3D49.4Very low65.7Low169 Ų169152.8 Ų152.890%0.90483%0.832SS**  trans-73.3101.7163.9-88.3-45.7000108.7A5D3-A5 PolarHBondContact O-N 3.33Å; D3-A5 VanDerWaalsContact O-N 3.11Å
4T57.1Low66.8Low119 Ų119149.2 Ų149.273%0.7382%0.824SS**  trans-73.598.3172.5-52.60000108.1S2 V6S2-T4 PolarHBondContact O-N 2.83Å; T4-V6 PolarHBondContact O-N 3.21Å
5A61Low67.7Low99 Ų99152.5 Ų152.582%0.81883%0.826SS**  trans-62.3100.6169.900000109.2D3 A7D3-A5 PolarHBondContact O-N 3.33Å; D3-A5 VanDerWaalsContact O-N 3.11Å; A5-A7 PolarHBondContact O-N 3.01Å
6V62.9Low68.5Low131 Ų131150.6 Ų150.679%0.79482%0.824SS**  trans-66.4114.7171.5-178.70000106.9T4 D8T4-V6 PolarHBondContact O-N 3.21Å; V6-D8 PolarHBondContact O-N 3.38Å
7A64.4Low69Low81 Ų81150.6 Ų150.667%0.66982%0.817SS**  trans-58.2120.9173.100000108.9A5 T9A5-A7 PolarHBondContact O-N 3.01Å; A7-T9 PolarHBondContact O-N 3.09Å
8D69.7Low69.8Low113 Ų113147.6 Ų147.660%0.60480%0.801SS**  trans-64.4106.2-179.4-165.1-5.8000109.2V6 R10V6-D8 PolarHBondContact O-N 3.38Å; D8-R10 PolarHBondContact O-N 2.98Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.47Å; D8-R10 VanDerWaalsContact OD1-CD 3.26Å; D8-R10 WeakPolarHBondContact OD1-CD 3.48Å; D8-R10 WeakPolarHBondContact OD1-CG 3.37Å; D8-R10 PolarHBondContact OD1-N 3.23Å; D8-R10 IonicContact OD1-NE 3.41Å; D8-R10 IonicContact OD2-NH1 2.75Å
9T76.2Confident70.1Confident139 Ų139146.4 Ų146.485%0.85379%0.793SS**  trans-82.58.4179.951.40000112.9A7 R11A7-T9 PolarHBondContact O-N 3.09Å; T9-R11 PolarHBondContact O-N 2.72Å
10R80.8Confident70.5Confident196 Ų196144.2 Ų144.274%0.7478%0.784SS**PPolyproline II helixtrans-64125.8176.2-74172.8-179152.1-3110.6D8 L12D8-R10 PolarHBondContact O-N 2.98Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.47Å; D8-R10 VanDerWaalsContact OD1-CD 3.26Å; D8-R10 WeakPolarHBondContact OD1-CD 3.48Å; D8-R10 WeakPolarHBondContact OD1-CG 3.37Å; D8-R10 PolarHBondContact OD1-N 3.23Å; D8-R10 IonicContact OD1-NE 3.41Å; D8-R10 IonicContact OD2-NH1 2.75Å; R10-L12 PolarHBondContact O-N 2.91Å
11R78.7Confident70.9Confident244 Ų244142.5 Ų142.592%0.92178%0.775SS**PPolyproline II helixtrans-57.8125.3169.8-80.7-174.8173-169.7-2.1109.1T9T9-R11 PolarHBondContact O-N 2.72Å
12L82Confident72.5Confident163 Ų163133.4 Ų133.485%0.85374%0.739SS**PPolyproline II helixtrans-62137.5171.6-62.7176.5000109.1R10 S14R10-L12 PolarHBondContact O-N 2.91Å; L12-S14 PolarHBondContact O-N 2.88Å
13N79.7Confident73.9Confident173 Ų173137.3 Ų137.393%0.92574%0.737SS**  trans-68.597.8176.7-132.252.5000108.4
14S80.9Confident75Confident102 Ų102130.5 Ų130.571%0.71371%0.707SS**PPolyproline II helixtrans-76.7139.7176.256.60000110L12L12-S14 PolarHBondContact O-N 2.88Å
15K80.6Confident75.6Confident198 Ų198130.2 Ų130.286%0.86171%0.707SS**PPolyproline II helixtrans-59.6135.1168-84.5178.6176.5175.30109.1Q17K15-Q17 PolarHBondContact O-N 2.88Å
16P79.3Confident76Confident123 Ų123131.7 Ų131.780%0.79971%0.709SS**PPolyproline II helixtrans-59.5138.6173.223.9-31.2000109.5
17Q77.3Confident76.2Confident151 Ų151128.2 Ų128.271%0.70669%0.69SS**PPolyproline II helixtrans-61.1137.5173.3-78.3-178.8-4600109.6K15K15-Q17 PolarHBondContact O-N 2.88Å
18D83.6Confident77Confident96 Ų96130.7 Ų130.751%0.51369%0.692SS.*PPolyproline II helixtrans-69.7144.9174.9-173.822.4000110.1T20 D21 A22D18-T20 PolarHBondContact O-N 3.31Å; D18-T20 PolarHBondContact OD2-OG1 2.79Å; D18-D21 HydrophobicContact CB-CB 4.39Å; D18-D21 PolarHBondContact O-N 2.87Å; D18-A22 PolarHBondContact O-N 2.84Å
19L76.4Confident78Confident125 Ų125129.1 Ų129.165%0.65468%0.68SS**Hα-helixtrans-61-30.3178.4-65.1174.1000111D21 Y23L19-D21 VanDerWaalsContact C-N 3.35Å; L19-Y23 HydrophobicContact CD2-CE2 4.05Å; L19-Y23 VanDerWaalsContact O-CD2 3.26Å; L19-Y23 WeakPolarHBondContact O-CD2 3.41Å; L19-Y23 PolarHBondContact O-N 2.71Å; L19-Y23 VanDerWaalsContact O-N 3.09Å
20T77.9Confident78.7Confident101 Ų101124.3 Ų124.362%0.6265%0.649SS**Hα-helixtrans-70.6-29.7175.873.50000113.1D18 G24D18-T20 PolarHBondContact O-N 3.31Å; D18-T20 PolarHBondContact OD2-OG1 2.79Å; T20-G24 WeakPolarHBondContact O-CA 3.41Å; T20-G24 PolarHBondContact O-N 3.25Å
21D78.7Confident79.4Confident110 Ų110119.7 Ų119.759%0.58864%0.636SS**Hα-helixtrans-81.4-36.7175.5-171.943.7000111D18 L19D18-D21 HydrophobicContact CB-CB 4.39Å; D18-D21 PolarHBondContact O-N 2.87Å; L19-D21 VanDerWaalsContact C-N 3.35Å
22A75.4Confident80.2Confident55 Ų55108.1 Ų108.146%0.45559%0.592SS.*Hα-helixtrans-68.5-34.2178.400000113.5D18D18-A22 PolarHBondContact O-N 2.84Å
23Y80.1Confident81Confident195 Ų195102.6 Ų102.677%0.76556%0.564SS**Hα-helixtrans-114.4-4.7-177.9-61.4-72.6000113.8L19L19-Y23 HydrophobicContact CD2-CE2 4.05Å; L19-Y23 VanDerWaalsContact O-CD2 3.26Å; L19-Y23 WeakPolarHBondContact O-CD2 3.41Å; L19-Y23 PolarHBondContact O-N 2.71Å; L19-Y23 VanDerWaalsContact O-N 3.09Å
24G73.2Confident81.8Confident26 Ų2694.4 Ų94.427%0.26852%0.52SS..SBendtrans-70.2149173.400000110.9T20 P26T20-G24 WeakPolarHBondContact O-CA 3.41Å; T20-G24 PolarHBondContact O-N 3.25Å; G24-P26 WeakPolarHBondContact O-CD 3.29Å; G24-P26 VanDerWaalsContact O-N 3.12Å
25P69.5Low82.6Confident113 Ų11392.4 Ų92.473%0.73450%0.498SS*.  trans-63.9114.2176.925.1-32000109.8S27P25-S27 PolarHBondContact O-N 2.87Å; P25-S27 VanDerWaalsContact O-N 3.07Å; P25-S27 PolarHBondContact O-OG 2.92Å
26P69.3Low83.3Confident131 Ų13186 Ų8685%0.85147%0.473SS*.  trans-76.5101.717630.4-29.1000106.8G24G24-P26 WeakPolarHBondContact O-CD 3.29Å; G24-P26 VanDerWaalsContact O-N 3.12Å
27S66.6Low84Confident58 Ų5882.8 Ų82.841%0.40645%0.453SS..  trans-159.864.4-171.137.70000113.5P25 F29 N57P25-S27 PolarHBondContact O-N 2.87Å; P25-S27 VanDerWaalsContact O-N 3.07Å; P25-S27 PolarHBondContact O-OG 2.92Å; S27-F29 PolarHBondContact O-N 3.07Å; S27-N57 PolarHBondContact O-ND2 2.9Å; S27-N57 PolarHBondContact O-OD1 3.07Å
28N81.6Confident84.8Confident132 Ų13279.1 Ų79.171%0.70644%0.435SS*.  trans-54.9110.7150.2-77.3-19.3000107.6N57 L58N28-N57 VanDerWaalsContact CA-OD1 3.3Å; N28-N57 WeakPolarHBondContact CA-OD1 3.27Å; N28-L58 HydrophobicContact CB-CD2 3.7Å
29F89.5Confident85.2Confident81 Ų8177.8 Ų77.836%0.35543%0.431SS..  trans-122.6148.6-179.877-92.1000110.1S27 E31 R55 T56 N57S27-F29 PolarHBondContact O-N 3.07Å; F29-E31 HydrophobicContact CD2-CG 4.27Å; F29-R55 HydrophobicContact CE2-CB 4.1Å; F29-T56 VanDerWaalsContact O-CA 3.27Å; F29-T56 WeakPolarHBondContact O-CA 3.38Å; F29-T56 WeakPolarHBondContact O-CB 3.35Å; F29-T56 PolarHBondContact O-OG1 2.94Å; F29-N57 HydrophobicContact CD1-CB 4.08Å; F29-N57 HydrophobicContact CE1-CB 3.72Å; F29-N57 HydrophobicContact CZ-CB 4.41Å; F29-N57 PolarHBondContact N-OD1 2.98Å; F29-N57 PolarHBondContact O-N 3.33Å; F29-N57 PolarHBondContact O-OD1 2.85Å
30L92.6Very high86Confident37 Ų3774.6 Ų74.619%0.19442%0.417CS..EExtended strand (participates in β ladder)trans-146.9111.6174.4173.662.5000106.6I32 M54 R55 T56 L58 F61 A131L30-I32 HydrophobicContact CD1-CD1 4.37Å; L30-I32 HydrophobicContact CD1-CG1 4.25Å; L30-M54 HydrophobicContact CD1-CG 3.91Å; L30-M54 HydrophobicContact CD1-SD 4.2Å; L30-R55 WeakPolarHBondContact CA-O 3.31Å; L30-T56 HydrophobicContact CD1-CG2 4.3Å; L30-L58 HydrophobicContact CB-CD1 4.02Å; L30-L58 HydrophobicContact CD2-CD1 4.2Å; L30-F61 HydrophobicContact CD1-CD2 4.42Å; L30-F61 HydrophobicContact CD1-CE2 3.9Å; L30-F61 HydrophobicContact CD1-CZ 4.29Å; L30-F61 HydrophobicContact CD2-CE2 3.92Å; L30-F61 HydrophobicContact CD2-CZ 4.19Å; L30-A131 VanDerWaalsContact CD2-C 3.49Å; L30-A131 HydrophobicContact CD2-CB 3.67Å; L30-A131 WeakPolarHBondContact CD2-O 3.11Å; L30-A131 HydrophobicContact CG-CB 4.5Å
31E94.1Very high86.6Confident99 Ų9971.8 Ų71.846%0.46341%0.408SS..EExtended strand (participates in β ladder)trans-119.9128.8-179.1-66.4174.5-172.300107.9F29 M54 R55F29-E31 HydrophobicContact CD2-CG 4.27Å; E31-M54 CarbonylContact O-C 3.59Å; E31-M54 WeakPolarHBondContact O-CA 3.44Å; E31-R55 PolarHBondContact N-O 2.89Å; E31-R55 PolarHBondContact O-N 2.8Å
32I97Very high86.9Confident2 Ų272.8 Ų72.81%0.0142%0.417CS..EExtended strand (participates in β ladder)trans-127.9117.4176.8-54.3176.6000108.6L30 V52 R53 M54 I127 N128 A131 L146L30-I32 HydrophobicContact CD1-CD1 4.37Å; L30-I32 HydrophobicContact CD1-CG1 4.25Å; I32-V52 HydrophobicContact CG2-CG1 3.74Å; I32-R53 CarbonylContact C-O 3.56Å; I32-R53 VanDerWaalsContact CA-O 3.26Å; I32-R53 WeakPolarHBondContact CA-O 3.43Å; I32-M54 HydrophobicContact CD1-CG 4.33Å; I32-M54 HydrophobicContact CG1-CB 4.15Å; I32-M54 HydrophobicContact CG1-CG 3.93Å; I32-I127 HydrophobicContact CB-CG2 4.16Å; I32-I127 HydrophobicContact CD1-CG1 3.99Å; I32-I127 HydrophobicContact CG2-CG1 4.23Å; I32-I127 HydrophobicContact CG2-CG2 3.61Å; I32-N128 PolarHBondContact N-OD1 3.07Å; I32-N128 PolarHBondContact O-ND2 3.09Å; I32-N128 PolarHBondContact O-OD1 3.49Å; I32-A131 HydrophobicContact CD1-CB 3.35Å; I32-L146 HydrophobicContact CD1-CD1 3.84Å; I32-L146 HydrophobicContact CD1-CD2 3.95Å; I32-L146 HydrophobicContact CG2-CD2 4.39Å
33D97.4Very high87.3Confident47 Ų4772.5 Ų72.525%0.25142%0.42SS..EExtended strand (participates in β ladder)trans-104.8142.1177.1-55.7-45.2000110F35 V52 R53 E124D33-F35 HydrophobicContact CB-CD1 3.97Å; D33-F35 HydrophobicContact CB-CE1 4.22Å; D33-V52 WeakPolarHBondContact O-CA 3.49Å; D33-R53 PolarHBondContact N-O 2.8Å; D33-R53 PolarHBondContact O-N 2.78Å; D33-R53 IonicContact OD2-CZ 3.41Å; D33-R53 IonicContact OD2-NE 3.25Å; D33-R53 PolarHBondContact OD2-NE 2.96Å; D33-R53 IonicContact OD2-NH2 2.71Å; D33-R53 PolarHBondContact OD2-NH2 2.88Å; D33-E124 WeakPolarHBondContact CA-OE1 3.36Å
34I97.3Very high87.2Confident1 Ų175.6 Ų75.61%0.00543%0.43CS..EExtended strand (participates in β ladder)trans-116.6121.2169.5-56-171.6000109.4Y50 E51 V52 F75 R120 L123 E124 I127I34-Y50 VanDerWaalsContact CG2-CB 3.45Å; I34-Y50 HydrophobicContact CG2-CD1 4.06Å; I34-Y50 HydrophobicContact CG2-CG 3.91Å; I34-E51 CarbonylContact C-O 3.58Å; I34-E51 VanDerWaalsContact CA-O 3.31Å; I34-E51 WeakPolarHBondContact CA-O 3.44Å; I34-V52 HydrophobicContact CG1-CG2 4.37Å; I34-F75 HydrophobicContact CD1-CE1 3.81Å; I34-F75 HydrophobicContact CD1-CZ 3.58Å; I34-R120 HydrophobicContact CB-CG 4.19Å; I34-R120 HydrophobicContact CG2-CG 3.84Å; I34-R120 WeakPolarHBondContact O-CD 3.3Å; I34-R120 VanDerWaalsContact O-CG 3.27Å; I34-R120 WeakPolarHBondContact O-CG 3.41Å; I34-R120 PolarHBondContact O-NH1 2.98Å; I34-L123 VanDerWaalsContact CD1-C 3.4Å; I34-L123 HydrophobicContact CD1-CB 3.54Å; I34-E124 HydrophobicContact CB-CB 4.2Å; I34-E124 HydrophobicContact CD1-CB 4.18Å; I34-E124 HydrophobicContact CG1-CB 4.07Å; I34-E124 PolarHBondContact N-OE1 2.86Å; I34-I127 HydrophobicContact CD1-CG2 4.07Å; I34-I127 HydrophobicContact CG1-CG2 4.41Å
35F96.3Very high87.8Confident60 Ų6077.8 Ų77.826%0.26345%0.446SS..EExtended strand (participates in β ladder)trans-149.1-175-17759.6-87.1000112.5D33 E51 R53D33-F35 HydrophobicContact CB-CD1 3.97Å; D33-F35 HydrophobicContact CB-CE1 4.22Å; F35-E51 HydrophobicContact CD2-CB 4.3Å; F35-E51 HydrophobicContact CE2-CB 4.05Å; F35-E51 WeakPolarHBondContact CE2-OE2 3.5Å; F35-E51 HydrophobicContact CZ-CB 4.22Å; F35-E51 PolarHBondContact N-O 3.41Å; F35-E51 PolarHBondContact O-N 2.75Å; F35-R53 HydrophobicContact CE1-CB 3.49Å; F35-R53 VanDerWaalsContact CE1-CB 3.49Å; F35-R53 HydrophobicContact CE1-CG 4.43Å; F35-R53 HydrophobicContact CZ-CB 4.03Å
36N95.6Very high88.7Confident63 Ų6377.3 Ų77.334%0.33743%0.429SS..EExtended strand (participates in β ladder)trans49.964177.4-168.113.5000113.2Q38 E51N36-Q38 PolarHBondContact O-N 2.86Å; N36-Q38 PolarHBondContact OD1-NE2 3.48Å; N36-E51 HydrophobicContact CB-CB 4.37Å; N36-E51 HydrophobicContact CB-CG 4.29Å; N36-E51 PolarHBondContact ND2-OE1 2.75Å; N36-E51 PolarHBondContact ND2-OE2 2.95Å
37P95.2Very high89.7Confident56 Ų5674.7 Ų74.736%0.36441%0.405SS..EExtended strand (participates in β ladder)trans-64.2127.817628.3-33.6000110.3T48 T49 Y50 I116P37-T48 HydrophobicContact CB-CG2 4.09Å; P37-T49 CarbonylContact C-O 3.52Å; P37-T49 WeakPolarHBondContact CA-O 3.38Å; P37-Y50 HydrophobicContact CB-CD1 3.99Å; P37-Y50 HydrophobicContact CB-CE1 3.9Å; P37-I116 HydrophobicContact CB-CG2 3.29Å; P37-I116 HydrophobicContact CG-CG2 3.68Å
38Q93.9Very high91Very high73 Ų7372.5 Ų72.534%0.34139%0.389SS..EExtended strand (participates in β ladder)trans-133125.8180-76.4-169.27.800110.9N36 T48 T49N36-Q38 PolarHBondContact O-N 2.86Å; N36-Q38 PolarHBondContact OD1-NE2 3.48Å; Q38-T48 WeakPolarHBondContact O-CA 3.49Å; Q38-T49 PolarHBondContact N-O 3.48Å; Q38-T49 PolarHBondContact O-N 3.35Å; Q38-T49 PolarHBondContact O-OG1 2.69Å
39T92.7Very high91.7Very high69 Ų6966.8 Ų66.842%0.42336%0.358SS..EExtended strand (participates in β ladder)trans-82.7117.8174.4-58.60000109.5R46 F47 F111T39-R46 HydrophobicContact CG2-CB 4.08Å; T39-R46 HydrophobicContact CG2-CG 4.41Å; T39-F47 WeakPolarHBondContact CA-O 3.14Å; T39-F111 HydrophobicContact CG2-CD1 3.84Å; T39-F111 HydrophobicContact CG2-CE1 3.75Å
40V92Very high92Very high58 Ų5863 Ų6335%0.35234%0.342SS..EExtended strand (participates in β ladder)trans-111145.9179.2-177.40000109.1R46 F47 T49V40-R46 CarbonylContact O-C 3.59Å; V40-R46 VanDerWaalsContact O-CA 3.29Å; V40-R46 WeakPolarHBondContact O-CA 3.35Å; V40-F47 HydrophobicContact CB-CE2 4.09Å; V40-F47 HydrophobicContact CB-CZ 4.08Å; V40-F47 HydrophobicContact CG1-CZ 4.07Å; V40-F47 PolarHBondContact N-O 3.23Å; V40-F47 PolarHBondContact O-N 2.95Å; V40-T49 HydrophobicContact CG2-CG2 4.3Å
41G89.9Confident92.3Very high42 Ų4263.1 Ų63.143%0.43334%0.342SS..SBendtrans101.8-179.8177.800000113.5R46G41-R46 WeakPolarHBondContact O-CG 3.35Å
42V86.9Confident92.4Very high130 Ų13058.4 Ų58.479%0.78832%0.32SS*.SBendtrans-132.5141.9-175-176.10000110.3R44 A45V42-R44 PolarHBondContact O-N 3Å; V42-A45 PolarHBondContact O-N 3.33Å
43G83.3Confident92.5Very high49 Ų4962.1 Ų62.151%0.50533%0.333SS..G310 helixtrans62.6-122.9176.100000113.3R46G43-R46 WeakPolarHBondContact O-CG 3.41Å; G43-R46 PolarHBondContact O-NE 3.11Å
44R78.5Confident92.4Very high261 Ų26159.9 Ų59.999%0.98532%0.321SS*.G310 helixtrans-81.4-12.1-179.3-66.4-175178.9178.60.2113.9V42 R46V42-R44 PolarHBondContact O-N 3Å; R44-R46 VanDerWaalsContact C-N 3.31Å
45A83.9Confident92.4Very high72 Ų7264 Ų6460%0.59534%0.337SS*.G310 helixtrans-92.913.3178.800000112.9V42 F47V42-A45 PolarHBondContact O-N 3.33Å; A45-F47 WeakPolarHBondContact O-CD1 3.44Å
46R89.6Confident92.2Very high103 Ų10361.3 Ų61.339%0.38933%0.325SS..  trans-70.9138.7178.7-70.7-175-64.31605.7111.2T39 V40 G41 G43 R44 F111T39-R46 HydrophobicContact CG2-CB 4.08Å; T39-R46 HydrophobicContact CG2-CG 4.41Å; V40-R46 CarbonylContact O-C 3.59Å; V40-R46 VanDerWaalsContact O-CA 3.29Å; V40-R46 WeakPolarHBondContact O-CA 3.35Å; G41-R46 WeakPolarHBondContact O-CG 3.35Å; G43-R46 WeakPolarHBondContact O-CG 3.41Å; G43-R46 PolarHBondContact O-NE 3.11Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R46-F111 HydrophobicContact CB-CE1 3.82Å; R46-F111 HydrophobicContact CB-CE2 4.44Å; R46-F111 HydrophobicContact CB-CZ 3.52Å
47F90.7Very high92Very high76 Ų7661.1 Ų61.133%0.33332%0.324SS..EExtended strand (participates in β ladder)trans-146.1149.317358.3-88.8000111.3T39 V40 A45 T49 R71T39-F47 WeakPolarHBondContact CA-O 3.14Å; V40-F47 HydrophobicContact CB-CE2 4.09Å; V40-F47 HydrophobicContact CB-CZ 4.08Å; V40-F47 HydrophobicContact CG1-CZ 4.07Å; V40-F47 PolarHBondContact N-O 3.23Å; V40-F47 PolarHBondContact O-N 2.95Å; A45-F47 WeakPolarHBondContact O-CD1 3.44Å; F47-T49 HydrophobicContact CD2-CG2 3.73Å; F47-T49 HydrophobicContact CE2-CG2 3.5Å; F47-R71 HydrophobicContact CD2-CB 4.22Å
48T93.5Very high91.7Very high11 Ų1159.4 Ų59.47%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-89.6133.3176.6-45.60000110.2P37 Q38 Y50 I116P37-T48 HydrophobicContact CB-CG2 4.09Å; Q38-T48 WeakPolarHBondContact O-CA 3.49Å; T48-Y50 HydrophobicContact CG2-CE1 4.28Å; T48-Y50 HydrophobicContact CG2-CE2 4.36Å; T48-I116 HydrophobicContact CG2-CD1 4.33Å; T48-I116 HydrophobicContact CG2-CG1 4.41Å; T48-I116 HydrophobicContact CG2-CG2 4.33Å
49T95.8Very high91.3Very high12 Ų1260.6 Ų60.67%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-115.7157.7172.853.30000109.1P37 Q38 V40 F47 R69 R70 R71P37-T49 CarbonylContact C-O 3.52Å; P37-T49 WeakPolarHBondContact CA-O 3.38Å; Q38-T49 PolarHBondContact N-O 3.48Å; Q38-T49 PolarHBondContact O-N 3.35Å; Q38-T49 PolarHBondContact O-OG1 2.69Å; V40-T49 HydrophobicContact CG2-CG2 4.3Å; F47-T49 HydrophobicContact CD2-CG2 3.73Å; F47-T49 HydrophobicContact CE2-CG2 3.5Å; T49-R69 PolarHBondContact OG1-NH2 3.4Å; T49-R70 CarbonylContact C-O 3.6Å; T49-R70 WeakPolarHBondContact CA-O 3.34Å; T49-R71 HydrophobicContact CG2-CB 4.12Å
50Y96.8Very high91.1Very high1 Ų158.7 Ų58.70%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-131.1148.1-179.6-53.2-90.2000109.1I34 P37 T48 R69 R70 I116 R119 R120 L123I34-Y50 VanDerWaalsContact CG2-CB 3.45Å; I34-Y50 HydrophobicContact CG2-CD1 4.06Å; I34-Y50 HydrophobicContact CG2-CG 3.91Å; P37-Y50 HydrophobicContact CB-CD1 3.99Å; P37-Y50 HydrophobicContact CB-CE1 3.9Å; T48-Y50 HydrophobicContact CG2-CE1 4.28Å; T48-Y50 HydrophobicContact CG2-CE2 4.36Å; Y50-R69 WeakPolarHBondContact O-CA 3.26Å; Y50-R70 PolarHBondContact N-O 2.76Å; Y50-R70 PolarHBondContact O-N 2.82Å; Y50-I116 HydrophobicContact CE1-CG2 4.03Å; Y50-R119 WeakPolarHBondContact OH-CD 3.34Å; Y50-R119 WeakPolarHBondContact OH-CG 3.33Å; Y50-R120 HydrophobicContact CD1-CB 4.35Å; Y50-R120 HydrophobicContact CD1-CG 4.21Å; Y50-R120 HydrophobicContact CE1-CB 4.03Å; Y50-R120 HydrophobicContact CE1-CG 4.39Å; Y50-L123 HydrophobicContact CD2-CD1 3.96Å; Y50-L123 HydrophobicContact CE2-CD1 3.77Å
51E97.4Very high90.9Very high41 Ų4156.1 Ų56.119%0.19230%0.297CS..EExtended strand (participates in β ladder)trans-82.8125166.5-75.4176.2-17600109I34 F35 N36 R69I34-E51 CarbonylContact C-O 3.58Å; I34-E51 VanDerWaalsContact CA-O 3.31Å; I34-E51 WeakPolarHBondContact CA-O 3.44Å; F35-E51 HydrophobicContact CD2-CB 4.3Å; F35-E51 HydrophobicContact CE2-CB 4.05Å; F35-E51 WeakPolarHBondContact CE2-OE2 3.5Å; F35-E51 HydrophobicContact CZ-CB 4.22Å; F35-E51 PolarHBondContact N-O 3.41Å; F35-E51 PolarHBondContact O-N 2.75Å; N36-E51 HydrophobicContact CB-CB 4.37Å; N36-E51 HydrophobicContact CB-CG 4.29Å; N36-E51 PolarHBondContact ND2-OE1 2.75Å; N36-E51 PolarHBondContact ND2-OE2 2.95Å; E51-R69 HydrophobicContact CG-CG 3.76Å
52V97.9Very high90.9Very high0 Ų059.8 Ų59.80%030%0.301CS..EExtended strand (participates in β ladder)trans-105.9110.2175.1-176.40000106.5I32 D33 I34 C67 V68 R70 F75 L146I32-V52 HydrophobicContact CG2-CG1 3.74Å; D33-V52 WeakPolarHBondContact O-CA 3.49Å; I34-V52 HydrophobicContact CG1-CG2 4.37Å; V52-C67 WeakPolarHBondContact O-CA 3.5Å; V52-V68 HydrophobicContact CB-CG2 4.12Å; V52-V68 PolarHBondContact N-O 3.47Å; V52-V68 PolarHBondContact O-N 3.18Å; V52-R70 HydrophobicContact CG2-CB 3.9Å; V52-R70 HydrophobicContact CG2-CG 3.84Å; V52-F75 HydrophobicContact CG2-CE2 4.5Å; V52-F75 HydrophobicContact CG2-CZ 3.88Å; V52-L146 HydrophobicContact CG1-CD2 3.95Å
53R97.8Very high91.1Very high79 Ų7957.5 Ų57.530%0.29828%0.284SS..EExtended strand (participates in β ladder)trans-104.4129.7176.2-178.8174.763.9-158.21.4109.1I32 D33 F35 S66I32-R53 CarbonylContact C-O 3.56Å; I32-R53 VanDerWaalsContact CA-O 3.26Å; I32-R53 WeakPolarHBondContact CA-O 3.43Å; D33-R53 PolarHBondContact N-O 2.8Å; D33-R53 PolarHBondContact O-N 2.78Å; D33-R53 IonicContact OD2-CZ 3.41Å; D33-R53 IonicContact OD2-NE 3.25Å; D33-R53 PolarHBondContact OD2-NE 2.96Å; D33-R53 IonicContact OD2-NH2 2.71Å; D33-R53 PolarHBondContact OD2-NH2 2.88Å; F35-R53 HydrophobicContact CE1-CB 3.49Å; F35-R53 VanDerWaalsContact CE1-CB 3.49Å; F35-R53 HydrophobicContact CE1-CG 4.43Å; F35-R53 HydrophobicContact CZ-CB 4.03Å; R53-S66 CarbonylContact C-O 3.55Å; R53-S66 VanDerWaalsContact CA-O 3.29Å; R53-S66 WeakPolarHBondContact CA-O 3.45Å
54M96.6Very high91.4Very high0 Ų060 Ų600%028%0.281CS..EExtended strand (participates in β ladder)trans-119.9134.6177.8176.9-90.4-41.100109.2L30 E31 I32 T56 F61 E65 S66 L146 Q147L30-M54 HydrophobicContact CD1-CG 3.91Å; L30-M54 HydrophobicContact CD1-SD 4.2Å; E31-M54 CarbonylContact O-C 3.59Å; E31-M54 WeakPolarHBondContact O-CA 3.44Å; I32-M54 HydrophobicContact CD1-CG 4.33Å; I32-M54 HydrophobicContact CG1-CB 4.15Å; I32-M54 HydrophobicContact CG1-CG 3.93Å; M54-T56 HydrophobicContact SD-CG2 3.48Å; M54-T56 WeakPolarHBondContact SD-CG2 3.15Å; M54-F61 HydrophobicContact SD-CG 4.46Å; M54-E65 CarbonylContact O-C 3.58Å; M54-E65 VanDerWaalsContact O-CA 3.25Å; M54-E65 WeakPolarHBondContact O-CA 3.41Å; M54-S66 WeakPolarHBondContact CE-OG 3.18Å; M54-S66 PolarHBondContact N-O 3.49Å; M54-S66 PolarHBondContact O-N 3.27Å; M54-L146 HydrophobicContact CG-CD1 4.43Å; M54-Q147 HydrophobicContact CE-CG 3.93Å
55R95.4Very high92.2Very high89 Ų8953.6 Ų53.634%0.33626%0.262SS..EExtended strand (participates in β ladder)trans-130.3128173.9-67.2-175.4165147.42.9109.3F29 L30 E31 K64 E65F29-R55 HydrophobicContact CE2-CB 4.1Å; L30-R55 WeakPolarHBondContact CA-O 3.31Å; E31-R55 PolarHBondContact N-O 2.89Å; E31-R55 PolarHBondContact O-N 2.8Å; R55-K64 CarbonylContact C-O 3.57Å; R55-K64 WeakPolarHBondContact CA-O 3.27Å; R55-E65 WeakPolarHBondContact CD-OE1 3.24Å; R55-E65 HydrophobicContact CG-CG 4.09Å; R55-E65 IonicContact CZ-OE1 3.36Å; R55-E65 IonicContact NE-OE1 2.8Å; R55-E65 PolarHBondContact NE-OE1 2.89Å
56T93.9Very high92.8Very high3 Ų350.8 Ų50.82%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-157.3150.2-178.9-170.30000111.9F29 L30 M54 L58 F61 K64F29-T56 VanDerWaalsContact O-CA 3.27Å; F29-T56 WeakPolarHBondContact O-CA 3.38Å; F29-T56 WeakPolarHBondContact O-CB 3.35Å; F29-T56 PolarHBondContact O-OG1 2.94Å; L30-T56 HydrophobicContact CD1-CG2 4.3Å; M54-T56 HydrophobicContact SD-CG2 3.48Å; M54-T56 WeakPolarHBondContact SD-CG2 3.15Å; T56-L58 WeakPolarHBondContact OG1-CB 3.5Å; T56-L58 WeakPolarHBondContact OG1-CG 3.44Å; T56-L58 PolarHBondContact OG1-N 2.88Å; T56-F61 HydrophobicContact CG2-CB 3.64Å; T56-F61 HydrophobicContact CG2-CD2 3.59Å; T56-F61 HydrophobicContact CG2-CG 3.84Å; T56-K64 PolarHBondContact N-O 2.95Å; T56-K64 WeakPolarHBondContact O-CA 3.31Å; T56-K64 WeakPolarHBondContact O-CB 3.35Å; T56-K64 VanDerWaalsContact O-CD 3.26Å; T56-K64 WeakPolarHBondContact O-CD 3.38Å
57N89.9Confident93.2Very high58 Ų5849.5 Ų49.531%0.3124%0.244SC..  trans-99.6-4.3165.965.6-11000113.2S27 N28 F29 K64S27-N57 PolarHBondContact O-ND2 2.9Å; S27-N57 PolarHBondContact O-OD1 3.07Å; N28-N57 VanDerWaalsContact CA-OD1 3.3Å; N28-N57 WeakPolarHBondContact CA-OD1 3.27Å; F29-N57 HydrophobicContact CD1-CB 4.08Å; F29-N57 HydrophobicContact CE1-CB 3.72Å; F29-N57 HydrophobicContact CZ-CB 4.41Å; F29-N57 PolarHBondContact N-OD1 2.98Å; F29-N57 PolarHBondContact O-N 3.33Å; F29-N57 PolarHBondContact O-OD1 2.85Å; N57-K64 PolarHBondContact O-NZ 2.92Å
58L88.4Confident93.5Very high21 Ų2146.4 Ų46.411%0.1123%0.231CC..  trans-58.9137.1-177.5-66.9172.8000111.3N28 L30 T56 I60 F61 K64N28-L58 HydrophobicContact CB-CD2 3.7Å; L30-L58 HydrophobicContact CB-CD1 4.02Å; L30-L58 HydrophobicContact CD2-CD1 4.2Å; T56-L58 WeakPolarHBondContact OG1-CB 3.5Å; T56-L58 WeakPolarHBondContact OG1-CG 3.44Å; T56-L58 PolarHBondContact OG1-N 2.88Å; L58-I60 VanDerWaalsContact C-N 3.26Å; L58-I60 HydrophobicContact CB-CG2 4.08Å; L58-I60 PolarHBondContact O-N 2.95Å; L58-F61 HydrophobicContact CB-CD2 4Å; L58-F61 HydrophobicContact CD1-CD2 4.25Å; L58-F61 HydrophobicContact CD1-CE2 3.95Å; L58-F61 PolarHBondContact O-N 2.81Å; L58-K64 PolarHBondContact O-NZ 3.15Å
59P86.8Confident93.6Very high98 Ų9850.5 Ų50.564%0.63625%0.246SC*.THydrogen-bonded Turntrans-73.4-18-177.729-34.9000113.2F61 W168P59-F61 PolarHBondContact O-N 3.06Å; P59-W168 VanDerWaalsContact O-CZ2 3.3Å; P59-W168 WeakPolarHBondContact O-CZ2 3.29Å
60I88Confident93.6Very high29 Ų2950.1 Ų50.115%0.14924%0.243CC..THydrogen-bonded Turntrans-69.3-19.7177.6-167.5150.4000112.8L58 Q137 N138 H143 W168L58-I60 VanDerWaalsContact C-N 3.26Å; L58-I60 HydrophobicContact CB-CG2 4.08Å; L58-I60 PolarHBondContact O-N 2.95Å; I60-Q137 HydrophobicContact CD1-CB 3.79Å; I60-Q137 VanDerWaalsContact CD1-O 3.28Å; I60-Q137 WeakPolarHBondContact CD1-O 3.41Å; I60-Q137 HydrophobicContact CG1-CB 4.45Å; I60-Q137 HydrophobicContact CG2-CB 4.36Å; I60-N138 WeakPolarHBondContact CD1-OD1 3.48Å; I60-H143 PolarHBondContact O-CE1 2.92Å; I60-W168 HydrophobicContact CB-CH2 4.4Å; I60-W168 HydrophobicContact CG1-CH2 3.95Å; I60-W168 WeakPolarHBondContact O-CH2 3.25Å; I60-W168 WeakPolarHBondContact O-CZ2 3.26Å
61F89Confident93.5Very high3 Ų353.5 Ų53.51%0.01326%0.255CS..SBendtrans-95.4128.1176.2-70.6-71.6000110L30 M54 T56 L58 P59 L63 Q137 L142 H143 L146L30-F61 HydrophobicContact CD1-CD2 4.42Å; L30-F61 HydrophobicContact CD1-CE2 3.9Å; L30-F61 HydrophobicContact CD1-CZ 4.29Å; L30-F61 HydrophobicContact CD2-CE2 3.92Å; L30-F61 HydrophobicContact CD2-CZ 4.19Å; M54-F61 HydrophobicContact SD-CG 4.46Å; T56-F61 HydrophobicContact CG2-CB 3.64Å; T56-F61 HydrophobicContact CG2-CD2 3.59Å; T56-F61 HydrophobicContact CG2-CG 3.84Å; L58-F61 HydrophobicContact CB-CD2 4Å; L58-F61 HydrophobicContact CD1-CD2 4.25Å; L58-F61 HydrophobicContact CD1-CE2 3.95Å; L58-F61 PolarHBondContact O-N 2.81Å; P59-F61 PolarHBondContact O-N 3.06Å; F61-L63 PolarHBondContact O-N 3.29Å; F61-Q137 HydrophobicContact CZ-CG 4.46Å; F61-L142 HydrophobicContact CZ-CD2 4.4Å; F61-H143 AromaticContact CD1-CE1 3.6Å; F61-H143 AromaticContact CD1-ND1 3.53Å; F61-H143 AromaticContact CE1-CE1 3.75Å; F61-H143 AromaticContact CE1-ND1 3.85Å; F61-L146 HydrophobicContact CE1-CD1 4.04Å; F61-L146 HydrophobicContact CZ-CD1 4.47Å
62K88.7Confident93.4Very high119 Ų11952.8 Ų52.852%0.51725%0.251SS..SBendtrans-60-46.1177.3-61.6-175.9179.5179.20112.2F161 C165K62-F161 HydrophobicContact CD-CZ 4.01Å; K62-F161 HydrophobicContact CG-CE1 4.43Å; K62-F161 HydrophobicContact CG-CE2 4.24Å; K62-F161 HydrophobicContact CG-CZ 3.52Å; K62-C165 VanDerWaalsContact CE-SG 3.53Å; K62-C165 PolarHBondContact NZ-SG 2.95Å
63L90.3Very high93.1Very high82 Ų8254.7 Ų54.743%0.42927%0.265SS..  trans-99.7134.2178.7-55.8179.2000109.5F61 Q147F61-L63 PolarHBondContact O-N 3.29Å; L63-Q147 HydrophobicContact CD1-CB 4.17Å; L63-Q147 PolarHBondContact O-NE2 3.46Å
64K91.3Very high93Very high103 Ų10352.1 Ų52.145%0.44826%0.257SS..SBendtrans-76.7-29.1173.8-58.7-59.7176.5-174.10112.2R55 T56 N57 L58R55-K64 CarbonylContact C-O 3.57Å; R55-K64 WeakPolarHBondContact CA-O 3.27Å; T56-K64 PolarHBondContact N-O 2.95Å; T56-K64 WeakPolarHBondContact O-CA 3.31Å; T56-K64 WeakPolarHBondContact O-CB 3.35Å; T56-K64 VanDerWaalsContact O-CD 3.26Å; T56-K64 WeakPolarHBondContact O-CD 3.38Å; N57-K64 PolarHBondContact O-NZ 2.92Å; L58-K64 PolarHBondContact O-NZ 3.15Å
65E95.1Very high93Very high125 Ų12552.1 Ų52.158%0.58426%0.257SS*.EExtended strand (participates in β ladder)trans-134.2138.9170.7-57-162.6138.700109.8M54 R55M54-E65 CarbonylContact O-C 3.58Å; M54-E65 VanDerWaalsContact O-CA 3.25Å; M54-E65 WeakPolarHBondContact O-CA 3.41Å; R55-E65 WeakPolarHBondContact CD-OE1 3.24Å; R55-E65 HydrophobicContact CG-CG 4.09Å; R55-E65 IonicContact CZ-OE1 3.36Å; R55-E65 IonicContact NE-OE1 2.8Å; R55-E65 PolarHBondContact NE-OE1 2.89Å
66S96.4Very high92.9Very high13 Ų1350 Ų509%0.09125%0.25CS..EExtended strand (participates in β ladder)trans-143.4154.4169.467.80000110.5R53 M54 L146R53-S66 CarbonylContact C-O 3.55Å; R53-S66 VanDerWaalsContact CA-O 3.29Å; R53-S66 WeakPolarHBondContact CA-O 3.45Å; M54-S66 WeakPolarHBondContact CE-OG 3.18Å; M54-S66 PolarHBondContact N-O 3.49Å; M54-S66 PolarHBondContact O-N 3.27Å; S66-L146 PolarHBondContact OG-O 3.36Å
67C96.8Very high92.8Very high76 Ų7652 Ų5251%0.51426%0.258SS..EExtended strand (participates in β ladder)trans-138116.2170.9-171.50000108.4V52V52-C67 WeakPolarHBondContact O-CA 3.5Å
68V97Very high93Very high11 Ų1149.3 Ų49.37%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-130.6149.4-175.7-61.90000109.9V52 R70 E148V52-V68 HydrophobicContact CB-CG2 4.12Å; V52-V68 PolarHBondContact N-O 3.47Å; V52-V68 PolarHBondContact O-N 3.18Å; V68-R70 HydrophobicContact CG2-CG 4.27Å; V68-E148 WeakPolarHBondContact CG1-O 3.2Å
69R96.4Very high93.2Very high97 Ų9750.2 Ų50.237%0.36625%0.247SC..EExtended strand (participates in β ladder)trans-94.1131.4175.8-78.2-176.872.3165.95111.6T49 Y50 E51T49-R69 PolarHBondContact OG1-NH2 3.4Å; Y50-R69 WeakPolarHBondContact O-CA 3.26Å; E51-R69 HydrophobicContact CG-CG 3.76Å
70R96.6Very high93.4Very high5 Ų549.9 Ų49.92%0.01924%0.239CC..EExtended strand (participates in β ladder)trans-134.6143.9-179-61.8-65.2176.5-111.99.8111.1T49 Y50 V52 V68 D74 F75 M144 F145 E148 E149T49-R70 CarbonylContact C-O 3.6Å; T49-R70 WeakPolarHBondContact CA-O 3.34Å; Y50-R70 PolarHBondContact N-O 2.76Å; Y50-R70 PolarHBondContact O-N 2.82Å; V52-R70 HydrophobicContact CG2-CB 3.9Å; V52-R70 HydrophobicContact CG2-CG 3.84Å; V68-R70 HydrophobicContact CG2-CG 4.27Å; R70-D74 HydrophobicContact CB-CB 4.46Å; R70-F75 HydrophobicContact CB-CD2 4.44Å; R70-F75 HydrophobicContact CB-CE2 3.73Å; R70-F75 HydrophobicContact CB-CZ 4.34Å; R70-M144 PolarHBondContact NH2-O 3.37Å; R70-F145 HydrophobicContact CB-CE2 4.28Å; R70-F145 HydrophobicContact CB-CZ 4.05Å; R70-F145 HydrophobicContact CG-CE1 4.25Å; R70-F145 HydrophobicContact CG-CE2 3.86Å; R70-F145 HydrophobicContact CG-CZ 3.7Å; R70-F145 VanDerWaalsContact CZ-O 3.27Å; R70-F145 PolarHBondContact NE-O 2.79Å; R70-F145 PolarHBondContact NH2-O 2.96Å; R70-E148 PolarHBondContact NH2-O 3.07Å; R70-E149 PolarHBondContact NH1-O 3.48Å
71R94.8Very high93.5Very high71 Ų7149 Ų4927%0.26823%0.234SC..EExtended strand (participates in β ladder)trans-102.4162.916953.1177.1-169.3162.619.6110.3F47 T49 S73 D74 F75F47-R71 HydrophobicContact CD2-CB 4.22Å; T49-R71 HydrophobicContact CG2-CB 4.12Å; R71-S73 VanDerWaalsContact CD-OG 3.27Å; R71-S73 WeakPolarHBondContact CD-OG 3.45Å; R71-S73 PolarHBondContact NE-OG 3.02Å; R71-S73 PolarHBondContact NH2-OG 3.07Å; R71-S73 PolarHBondContact O-N 3.06Å; R71-S73 VanDerWaalsContact O-N 3.11Å; R71-D74 HydrophobicContact CG-CB 4.47Å; R71-D74 VanDerWaalsContact CG-CG 3.46Å; R71-D74 WeakPolarHBondContact CG-OD1 3.41Å; R71-D74 WeakPolarHBondContact CG-OD2 3.5Å; R71-D74 PolarHBondContact N-OD2 3.39Å; R71-D74 IonicContact NE-OD1 3.91Å; R71-D74 PolarHBondContact NE-OD1 2.75Å; R71-D74 VanDerWaalsContact O-CB 3.29Å; R71-D74 WeakPolarHBondContact O-CB 3.38Å; R71-D74 PolarHBondContact O-N 3.35Å; R71-F75 WeakPolarHBondContact O-CD2 3.31Å
72Y93.5Very high93.5Very high26 Ų2648.8 Ų48.810%0.10223%0.234CC..Hα-helixtrans-49.7-40178.8176.5-93000113.7D74 F75 E76 L93 P94 K96 R119 L123Y72-D74 PolarHBondContact O-N 2.96Å; Y72-F75 WeakPolarHBondContact O-CB 3.04Å; Y72-F75 PolarHBondContact O-N 3.41Å; Y72-F75 VanDerWaalsContact O-N 3.1Å; Y72-E76 HydrophobicContact CD1-CG 4.04Å; Y72-E76 HydrophobicContact CE1-CG 3.5Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.45Å; Y72-E76 PolarHBondContact O-N 3.48Å; Y72-E76 VanDerWaalsContact O-N 3.08Å; Y72-L93 HydrophobicContact CE2-CB 4.46Å; Y72-P94 HydrophobicContact CE2-CG 4.31Å; Y72-P94 WeakPolarHBondContact CE2-O 3.38Å; Y72-P94 PolarHBondContact OH-O 3.42Å; Y72-P94 VanDerWaalsContact OH-O 3.09Å; Y72-K96 HydrophobicContact CE1-CB 4.28Å; Y72-K96 HydrophobicContact CE1-CG 4.04Å; Y72-R119 HydrophobicContact CD2-CG 4.39Å; Y72-L123 HydrophobicContact CD2-CD2 4.01Å; Y72-L123 HydrophobicContact CE2-CD2 4.36Å
73S93.3Very high93.6Very high40 Ų4047.5 Ų47.528%0.2823%0.23SC..Hα-helixtrans-69.7-18.5179.4460000114.3R71 W77R71-S73 VanDerWaalsContact CD-OG 3.27Å; R71-S73 WeakPolarHBondContact CD-OG 3.45Å; R71-S73 PolarHBondContact NE-OG 3.02Å; R71-S73 PolarHBondContact NH2-OG 3.07Å; R71-S73 PolarHBondContact O-N 3.06Å; R71-S73 VanDerWaalsContact O-N 3.11Å; S73-W77 PolarHBondContact O-N 3Å
74D95.3Very high93.3Very high25 Ų2550.2 Ų50.213%0.13423%0.234CC..Hα-helixtrans-74.7-33.4171.6-55.4-24.4000110.6R70 R71 Y72 W77 L78 F145 I151R70-D74 HydrophobicContact CB-CB 4.46Å; R71-D74 HydrophobicContact CG-CB 4.47Å; R71-D74 VanDerWaalsContact CG-CG 3.46Å; R71-D74 WeakPolarHBondContact CG-OD1 3.41Å; R71-D74 WeakPolarHBondContact CG-OD2 3.5Å; R71-D74 PolarHBondContact N-OD2 3.39Å; R71-D74 IonicContact NE-OD1 3.91Å; R71-D74 PolarHBondContact NE-OD1 2.75Å; R71-D74 VanDerWaalsContact O-CB 3.29Å; R71-D74 WeakPolarHBondContact O-CB 3.38Å; R71-D74 PolarHBondContact O-N 3.35Å; Y72-D74 PolarHBondContact O-N 2.96Å; D74-W77 WeakPolarHBondContact O-CB 3.29Å; D74-W77 PolarHBondContact O-N 2.61Å; D74-L78 PolarHBondContact O-N 3.29Å; D74-F145 HydrophobicContact CB-CE2 3.97Å; D74-I151 HydrophobicContact CB-CD1 3.65Å
75F95.4Very high92.5Very high0 Ų048.5 Ų48.50%023%0.23CC..Hα-helixtrans-69.3-37.7171.2-68.3-99.2000111.5I34 V52 R70 R71 Y72 W77 L78 K79 L93 L123 F126 I127 F145I34-F75 HydrophobicContact CD1-CE1 3.81Å; I34-F75 HydrophobicContact CD1-CZ 3.58Å; V52-F75 HydrophobicContact CG2-CE2 4.5Å; V52-F75 HydrophobicContact CG2-CZ 3.88Å; R70-F75 HydrophobicContact CB-CD2 4.44Å; R70-F75 HydrophobicContact CB-CE2 3.73Å; R70-F75 HydrophobicContact CB-CZ 4.34Å; R71-F75 WeakPolarHBondContact O-CD2 3.31Å; Y72-F75 WeakPolarHBondContact O-CB 3.04Å; Y72-F75 PolarHBondContact O-N 3.41Å; Y72-F75 VanDerWaalsContact O-N 3.1Å; F75-W77 VanDerWaalsContact C-N 3.29Å; F75-W77 PolarHBondContact O-N 3.34Å; F75-L78 PolarHBondContact O-N 2.94Å; F75-K79 WeakPolarHBondContact O-CB 3.38Å; F75-K79 PolarHBondContact O-N 2.86Å; F75-L93 HydrophobicContact CB-CD2 3.87Å; F75-L123 HydrophobicContact CB-CD2 3.94Å; F75-L123 HydrophobicContact CD1-CB 4.5Å; F75-L123 HydrophobicContact CD1-CD2 3.84Å; F75-L123 HydrophobicContact CD2-CD1 4.16Å; F75-L123 HydrophobicContact CD2-CD2 3.93Å; F75-L123 HydrophobicContact CE1-CB 4.14Å; F75-L123 HydrophobicContact CE1-CD2 4.28Å; F75-L123 HydrophobicContact CE2-CD1 4.01Å; F75-L123 HydrophobicContact CE2-CD2 4.39Å; F75-L123 HydrophobicContact CG-CD2 3.65Å; F75-L123 HydrophobicContact CZ-CB 4.24Å; F75-L123 HydrophobicContact CZ-CD1 4.38Å; F75-F126 AromaticContact CD1-CD1 3.92Å; F75-F126 HydrophobicContact CD1-CD1 3.92Å; F75-F126 HydrophobicContact CD1-CE1 4.12Å; F75-I127 HydrophobicContact CE1-CB 4.24Å; F75-F145 HydrophobicContact CD1-CE1 4.26Å; F75-F145 HydrophobicContact CD1-CE2 4.4Å; F75-F145 AromaticContact CD1-CZ 3.62Å; F75-F145 HydrophobicContact CD1-CZ 3.62Å; F75-F145 HydrophobicContact CD2-CE2 4.34Å; F75-F145 AromaticContact CD2-CZ 3.91Å; F75-F145 HydrophobicContact CD2-CZ 3.91Å; F75-F145 AromaticContact CE1-CE1 3.89Å; F75-F145 HydrophobicContact CE1-CE1 3.89Å; F75-F145 AromaticContact CE1-CZ 3.49Å; F75-F145 HydrophobicContact CE1-CZ 3.49Å; F75-F145 VanDerWaalsContact CE1-CZ 3.49Å; F75-F145 AromaticContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CG-CE2 4.26Å; F75-F145 AromaticContact CG-CZ 3.82Å; F75-F145 HydrophobicContact CG-CZ 3.82Å; F75-F145 HydrophobicContact CZ-CE1 4.13Å; F75-F145 AromaticContact CZ-CZ 3.56Å; F75-F145 HydrophobicContact CZ-CZ 3.56Å
76E93.7Very high91.5Very high44 Ų4443.1 Ų43.121%0.20621%0.206CC..Hα-helixtrans-58.7-43170.7-68.3-174.4120.400111Y72 K79 N80 L93 K96Y72-E76 HydrophobicContact CD1-CG 4.04Å; Y72-E76 HydrophobicContact CE1-CG 3.5Å; Y72-E76 WeakPolarHBondContact CE1-OE1 3.45Å; Y72-E76 PolarHBondContact O-N 3.48Å; Y72-E76 VanDerWaalsContact O-N 3.08Å; E76-K79 PolarHBondContact O-N 2.87Å; E76-N80 PolarHBondContact O-N 3.3Å; E76-N80 PolarHBondContact O-ND2 2.88Å; E76-L93 HydrophobicContact CB-CD1 4.38Å; E76-L93 HydrophobicContact CG-CD1 3.96Å; E76-K96 VanDerWaalsContact CD-NZ 3.33Å; E76-K96 IonicContact OE1-NZ 2.75Å; E76-K96 PolarHBondContact OE1-NZ 2.96Å; E76-K96 IonicContact OE2-NZ 3.3Å; E76-K96 PolarHBondContact OE2-NZ 3.33Å
77W93.1Very high90.8Very high47 Ų4752.6 Ų52.618%0.17825%0.245CC..Hα-helixtrans-60.9-49.6175.7172.182.7000111.8S73 D74 F75 K79 N80 E81 C141 M144 I151S73-W77 PolarHBondContact O-N 3Å; D74-W77 WeakPolarHBondContact O-CB 3.29Å; D74-W77 PolarHBondContact O-N 2.61Å; F75-W77 VanDerWaalsContact C-N 3.29Å; F75-W77 PolarHBondContact O-N 3.34Å; W77-K79 VanDerWaalsContact C-N 3.32Å; W77-K79 PolarHBondContact O-N 3.5Å; W77-N80 PolarHBondContact O-N 2.65Å; W77-E81 HydrophobicContact CH2-CG 4.47Å; W77-E81 HydrophobicContact CZ2-CG 4.21Å; W77-E81 WeakPolarHBondContact O-CB 3.26Å; W77-E81 PolarHBondContact O-N 2.83Å; W77-C141 HydrophobicContact CH2-CB 3.7Å; W77-C141 HydrophobicContact CZ2-CB 4.49Å; W77-C141 HydrophobicContact CZ3-CB 4.3Å; W77-M144 HydrophobicContact CH2-CE 3.17Å; W77-M144 HydrophobicContact CZ2-CE 3.56Å; W77-M144 HydrophobicContact CZ3-CE 4.13Å; W77-I151 HydrophobicContact CD2-CG2 3.94Å; W77-I151 HydrophobicContact CE3-CD1 4.09Å; W77-I151 HydrophobicContact CE3-CG2 3.76Å; W77-I151 HydrophobicContact CH2-CG2 3.89Å; W77-I151 HydrophobicContact CZ2-CG2 4Å; W77-I151 HydrophobicContact CZ3-CD1 4.36Å; W77-I151 HydrophobicContact CZ3-CG2 3.75Å
78L93.4Very high90.2Very high0 Ų049.7 Ų49.70%023%0.225CC..Hα-helixtrans-58.7-43.9178.8177.165.2000111.7D74 F75 E81 L82 F126 I127 C141 L142 F145D74-L78 PolarHBondContact O-N 3.29Å; F75-L78 PolarHBondContact O-N 2.94Å; L78-E81 PolarHBondContact O-N 3.32Å; L78-L82 HydrophobicContact CD1-CD1 4Å; L78-L82 HydrophobicContact CD1-CG 4.24Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CG 3.48Å; L78-L82 PolarHBondContact O-N 3.37Å; L78-F126 HydrophobicContact CD2-CE1 4.33Å; L78-I127 HydrophobicContact CD2-CD1 3.67Å; L78-C141 HydrophobicContact CD1-CB 4.26Å; L78-L142 HydrophobicContact CD2-CD1 4.27Å; L78-F145 HydrophobicContact CB-CD2 4.09Å; L78-F145 HydrophobicContact CB-CE2 4.48Å; L78-F145 HydrophobicContact CB-CG 4.47Å; L78-F145 HydrophobicContact CD1-CB 4.2Å; L78-F145 HydrophobicContact CD2-CB 4.2Å; L78-F145 HydrophobicContact CD2-CD1 3.84Å; L78-F145 HydrophobicContact CD2-CD2 4.13Å; L78-F145 HydrophobicContact CD2-CE1 4.25Å; L78-F145 HydrophobicContact CD2-CG 3.78Å; L78-F145 HydrophobicContact CG-CG 4.5Å
79K92.7Very high89.6Confident41 Ų4155.9 Ų55.918%0.17826%0.262CS..Hα-helixtrans-57.5-50.8176.1165.7165.4-169.7-60.80111.4F75 E76 W77 E81 L82 E83 V90 L93 F126F75-K79 WeakPolarHBondContact O-CB 3.38Å; F75-K79 PolarHBondContact O-N 2.86Å; E76-K79 PolarHBondContact O-N 2.87Å; W77-K79 VanDerWaalsContact C-N 3.32Å; W77-K79 PolarHBondContact O-N 3.5Å; K79-E81 VanDerWaalsContact C-N 3.27Å; K79-E81 PolarHBondContact O-N 3.05Å; K79-L82 PolarHBondContact O-N 2.84Å; K79-E83 WeakPolarHBondContact CE-OE1 3.4Å; K79-E83 HydrophobicContact CG-CG 4.47Å; K79-E83 IonicContact NZ-OE1 3.91Å; K79-E83 PolarHBondContact NZ-OE1 3.1Å; K79-E83 IonicContact NZ-OE2 3.73Å; K79-E83 PolarHBondContact NZ-OE2 3.11Å; K79-E83 WeakPolarHBondContact O-CG 3.49Å; K79-E83 PolarHBondContact O-N 3.19Å; K79-V90 HydrophobicContact CB-CG1 4.11Å; K79-V90 HydrophobicContact CD-CG1 4.06Å; K79-V90 HydrophobicContact CG-CG1 3.66Å; K79-L93 HydrophobicContact CB-CD1 4.04Å; K79-L93 HydrophobicContact CD-CD1 3.75Å; K79-L93 HydrophobicContact CD-CG 3.93Å; K79-L93 HydrophobicContact CG-CD1 4.49Å; K79-F126 HydrophobicContact CB-CE2 4.34Å; K79-F126 HydrophobicContact CB-CZ 3.99Å
80N91.2Very high89.1Confident91 Ų9151.9 Ų51.949%0.48725%0.249SC..Hα-helixtrans-64.1-34.9-177.9-66.6-19000112.1E76 W77 R84E76-N80 PolarHBondContact O-N 3.3Å; E76-N80 PolarHBondContact O-ND2 2.88Å; W77-N80 PolarHBondContact O-N 2.65Å; N80-R84 WeakPolarHBondContact O-CB 3.4Å; N80-R84 PolarHBondContact O-N 3.3Å; N80-R84 VanDerWaalsContact O-N 3.13Å
81E89.9Confident88.7Confident9 Ų952.8 Ų52.84%0.04226%0.255CS..Hα-helixtrans-66.2-47.4178-160.671179.700111.3W77 L78 K79 R84 D85 C141 Y155W77-E81 HydrophobicContact CH2-CG 4.47Å; W77-E81 HydrophobicContact CZ2-CG 4.21Å; W77-E81 WeakPolarHBondContact O-CB 3.26Å; W77-E81 PolarHBondContact O-N 2.83Å; L78-E81 PolarHBondContact O-N 3.32Å; K79-E81 VanDerWaalsContact C-N 3.27Å; K79-E81 PolarHBondContact O-N 3.05Å; E81-R84 PolarHBondContact O-N 3.08Å; E81-R84 IonicContact OE1-CZ 2.64Å; E81-R84 IonicContact OE1-NH1 2.86Å; E81-R84 IonicContact OE1-NH2 3.17Å; E81-R84 PolarHBondContact OE1-NH2 2.86Å; E81-R84 IonicContact OE2-CZ 3.92Å; E81-R84 IonicContact OE2-NH1 2.76Å; E81-R84 PolarHBondContact OE2-NH1 2.8Å; E81-R84 IonicContact OE2-NH2 3.52Å; E81-R84 PolarHBondContact OE2-NH2 2.86Å; E81-D85 PolarHBondContact O-N 3.49Å; E81-C141 HydrophobicContact CB-CB 4.21Å; E81-C141 HydrophobicContact CG-CB 3.53Å; E81-Y155 WeakPolarHBondContact OE1-CD1 3.26Å
82L89.5Confident88.4Confident0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-66.3-36.4177.2-69.7170.2000112.4L78 K79 R84 S86 V90 I130 A136 E139L78-L82 HydrophobicContact CD1-CD1 4Å; L78-L82 HydrophobicContact CD1-CG 4.24Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CG 3.48Å; L78-L82 PolarHBondContact O-N 3.37Å; K79-L82 PolarHBondContact O-N 2.84Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3Å; L82-S86 CarbonylContact O-C 3.53Å; L82-S86 WeakPolarHBondContact O-CA 3.27Å; L82-S86 WeakPolarHBondContact O-CB 3.4Å; L82-S86 PolarHBondContact O-N 3.24Å; L82-V90 HydrophobicContact CB-CG2 3.82Å; L82-I130 HydrophobicContact CD1-CD1 4.05Å; L82-I130 HydrophobicContact CD1-CG1 4.32Å; L82-I130 HydrophobicContact CD1-CG2 3.49Å; L82-I130 VanDerWaalsContact CD1-CG2 3.49Å; L82-A136 HydrophobicContact CD2-CB 4.23Å; L82-E139 HydrophobicContact CD2-CB 4.04Å; L82-E139 HydrophobicContact CD2-CG 3.88Å
83E89.3Confident88.2Confident92 Ų9254.9 Ų54.943%0.4328%0.279SS..Hα-helixtrans-69.1-27.4175.9-74.7-18015300113K79 V90K79-E83 WeakPolarHBondContact CE-OE1 3.4Å; K79-E83 HydrophobicContact CG-CG 4.47Å; K79-E83 IonicContact NZ-OE1 3.91Å; K79-E83 PolarHBondContact NZ-OE1 3.1Å; K79-E83 IonicContact NZ-OE2 3.73Å; K79-E83 PolarHBondContact NZ-OE2 3.11Å; K79-E83 WeakPolarHBondContact O-CG 3.49Å; K79-E83 PolarHBondContact O-N 3.19Å; E83-V90 HydrophobicContact CG-CB 3.85Å; E83-V90 HydrophobicContact CG-CG2 3.64Å
84R84.9Confident87.9Confident139 Ų13954.2 Ų54.253%0.52527%0.274SS..Hα-helixtrans-81.3-47.7-179.6-171.9-175.666.1-127.2-0.1111.9N80 E81 L82N80-R84 WeakPolarHBondContact O-CB 3.4Å; N80-R84 PolarHBondContact O-N 3.3Å; N80-R84 VanDerWaalsContact O-N 3.13Å; E81-R84 PolarHBondContact O-N 3.08Å; E81-R84 IonicContact OE1-CZ 2.64Å; E81-R84 IonicContact OE1-NH1 2.86Å; E81-R84 IonicContact OE1-NH2 3.17Å; E81-R84 PolarHBondContact OE1-NH2 2.86Å; E81-R84 IonicContact OE2-CZ 3.92Å; E81-R84 IonicContact OE2-NH1 2.76Å; E81-R84 PolarHBondContact OE2-NH1 2.8Å; E81-R84 IonicContact OE2-NH2 3.52Å; E81-R84 PolarHBondContact OE2-NH2 2.86Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3Å
85D74.8Confident87Confident66 Ų6655.6 Ų55.635%0.35330%0.295SS..Hα-helixtrans-101.8-24.2-167.4-59-27.7000112.4E81 P157E81-D85 PolarHBondContact O-N 3.49Å; D85-P157 WeakPolarHBondContact OD2-CB 3.31Å; D85-P157 WeakPolarHBondContact OD2-CG 3.11Å
86S74.5Confident86Confident12 Ų1259.7 Ų59.78%0.08431%0.312CS..  trans-109.5139.2-178.2-41.90000111.8L82 I88 E139L82-S86 CarbonylContact O-C 3.53Å; L82-S86 WeakPolarHBondContact O-CA 3.27Å; L82-S86 WeakPolarHBondContact O-CB 3.4Å; L82-S86 PolarHBondContact O-N 3.24Å; S86-I88 PolarHBondContact O-N 2.81Å; S86-E139 WeakPolarHBondContact OG-CG 3.37Å; S86-E139 PolarHBondContact OG-OE1 3.43Å
87K79.9Confident85.2Confident212 Ų21258.8 Ų58.892%0.92231%0.313SS*.  trans-77.433.3174.4-61.6-176.6-179.2179.20112.8
88I84.5Confident84.1Confident16 Ų1662.2 Ų62.28%0.08233%0.333CS..  trans-95.9140.1-172.8-57.3169.8000109S86 V90 L135 A136S86-I88 PolarHBondContact O-N 2.81Å; I88-V90 PolarHBondContact O-N 2.81Å; I88-V90 VanDerWaalsContact O-N 3.12Å; I88-L135 HydrophobicContact CD1-CB 3.49Å; I88-L135 VanDerWaalsContact CD1-CB 3.49Å; I88-L135 HydrophobicContact CG1-CB 3.7Å; I88-L135 HydrophobicContact CG1-CD1 4.07Å; I88-A136 HydrophobicContact CD1-CB 3.7Å; I88-A136 VanDerWaalsContact CD1-N 3.27Å
89V84.1Confident83.2Confident140 Ų14070.1 Ų70.185%0.84837%0.368SS*.  trans-77.697.9168.6-1780000108.1
90V86.7Confident82.4Confident14 Ų1471.5 Ų71.59%0.08537%0.372CS..PPolyproline II helixtrans-72.5126.5-178.1177.20000110.1K79 L82 E83 I88 F126 I130K79-V90 HydrophobicContact CB-CG1 4.11Å; K79-V90 HydrophobicContact CD-CG1 4.06Å; K79-V90 HydrophobicContact CG-CG1 3.66Å; L82-V90 HydrophobicContact CB-CG2 3.82Å; E83-V90 HydrophobicContact CG-CB 3.85Å; E83-V90 HydrophobicContact CG-CG2 3.64Å; I88-V90 PolarHBondContact O-N 2.81Å; I88-V90 VanDerWaalsContact O-N 3.12Å; V90-F126 HydrophobicContact CG1-CE2 3.69Å; V90-F126 HydrophobicContact CG1-CZ 4.2Å; V90-I130 HydrophobicContact CB-CD1 4.49Å; V90-I130 HydrophobicContact CG1-CD1 4.12Å; V90-I130 HydrophobicContact CG2-CD1 4.37Å
91P88.9Confident81.6Confident24 Ų2471.9 Ų71.916%0.15637%0.371CS..PPolyproline II helixtrans-59.5150.7176.9-21.532.4000111.8F126 K129 I130P91-F126 HydrophobicContact CB-CD2 4.18Å; P91-F126 WeakPolarHBondContact O-CD2 3.26Å; P91-F126 WeakPolarHBondContact O-CE2 3.17Å; P91-K129 HydrophobicContact CB-CD 4.21Å; P91-K129 HydrophobicContact CG-CB 3.79Å; P91-K129 HydrophobicContact CG-CD 4Å; P91-I130 HydrophobicContact CG-CD1 4.31Å; P91-I130 HydrophobicContact CG-CG1 4.48Å
92P87.9Confident81Confident113 Ų11376.6 Ų76.673%0.73440%0.396SS*.PPolyproline II helixtrans-65.9139.2176.228.1-34.1000110.7
93L89.6Confident80Confident28 Ų2881 Ų8115%0.14742%0.424CS..PPolyproline II helixtrans-74.1151.7169.3-73.6168.6000110.4Y72 F75 E76 K79 G95 L123 F126Y72-L93 HydrophobicContact CE2-CB 4.46Å; F75-L93 HydrophobicContact CB-CD2 3.87Å; E76-L93 HydrophobicContact CB-CD1 4.38Å; E76-L93 HydrophobicContact CG-CD1 3.96Å; K79-L93 HydrophobicContact CB-CD1 4.04Å; K79-L93 HydrophobicContact CD-CD1 3.75Å; K79-L93 HydrophobicContact CD-CG 3.93Å; K79-L93 HydrophobicContact CG-CD1 4.49Å; L93-G95 PolarHBondContact O-N 3.06Å; L93-L123 HydrophobicContact CD2-CD2 4.01Å; L93-F126 HydrophobicContact CD2-CB 4.27Å; L93-F126 HydrophobicContact CD2-CD1 3.65Å; L93-F126 HydrophobicContact CD2-CD2 3.63Å; L93-F126 HydrophobicContact CD2-CE1 3.82Å; L93-F126 HydrophobicContact CD2-CE2 3.79Å; L93-F126 HydrophobicContact CD2-CG 3.56Å; L93-F126 HydrophobicContact CD2-CZ 3.89Å; L93-F126 HydrophobicContact CG-CD2 4.15Å; L93-F126 HydrophobicContact CG-CE2 4.09Å; L93-F126 HydrophobicContact CG-CZ 4.43Å
94P86.4Confident79.2Confident25 Ų2586.7 Ų86.716%0.16245%0.448CS..SBendtrans-57137.4169.124.6-32.2000109.4Y72 K96 R119 L123Y72-P94 HydrophobicContact CE2-CG 4.31Å; Y72-P94 WeakPolarHBondContact CE2-O 3.38Å; Y72-P94 PolarHBondContact OH-O 3.42Å; Y72-P94 VanDerWaalsContact OH-O 3.09Å; P94-K96 PolarHBondContact O-N 3.41Å; P94-R119 HydrophobicContact CG-CG 4.31Å; P94-L123 HydrophobicContact CG-CD2 3.82Å; P94-L123 HydrophobicContact CG-CG 3.88Å
95G77.3Confident78.7Confident55 Ų5585 Ų8557%0.56744%0.442SS*.PPolyproline II helixtrans-52.2139.6-167.700000113.8L93 A97L93-G95 PolarHBondContact O-N 3.06Å; G95-A97 PolarHBondContact O-N 3.09Å
96K72.8Confident78.5Confident85 Ų8586.6 Ų86.637%0.3747%0.474SS..  trans-56.4-16.6175.7-164.3168-167137.70113.4Y72 E76 P94 L98 R119Y72-K96 HydrophobicContact CE1-CB 4.28Å; Y72-K96 HydrophobicContact CE1-CG 4.04Å; E76-K96 VanDerWaalsContact CD-NZ 3.33Å; E76-K96 IonicContact OE1-NZ 2.75Å; E76-K96 PolarHBondContact OE1-NZ 2.96Å; E76-K96 IonicContact OE2-NZ 3.3Å; E76-K96 PolarHBondContact OE2-NZ 3.33Å; P94-K96 PolarHBondContact O-N 3.41Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 HydrophobicContact CD-CD2 4.25Å; K96-L98 HydrophobicContact CG-CD2 4.37Å; K96-L98 HydrophobicContact CG-CG 4.49Å; K96-L98 PolarHBondContact O-N 3.33Å; K96-R119 PolarHBondContact O-NH2 2.6Å
97A78Confident78.6Confident26 Ų2688.7 Ų88.722%0.21548%0.484CS..  trans52.947.317700000112.9G95 K99 R100 Q101 F115G95-A97 PolarHBondContact O-N 3.09Å; A97-K99 PolarHBondContact O-N 3.47Å; A97-R100 HydrophobicContact CB-CB 4.11Å; A97-R100 HydrophobicContact CB-CG 4.16Å; A97-R100 WeakPolarHBondContact O-CA 3.4Å; A97-R100 WeakPolarHBondContact O-CB 3.48Å; A97-R100 PolarHBondContact O-N 3.39Å; A97-Q101 PolarHBondContact O-N 3.33Å; A97-F115 HydrophobicContact CB-CE1 4.49Å; A97-F115 HydrophobicContact CB-CE2 3.42Å; A97-F115 VanDerWaalsContact CB-CE2 3.42Å; A97-F115 HydrophobicContact CB-CZ 3.34Å
98L70.6Confident78.4Confident118 Ų11884.5 Ų84.562%0.61847%0.468SS*.G310 helixtrans-51-34.5179.6-69.9166.5000112.7K96 R100 Q101K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 HydrophobicContact CD-CD2 4.25Å; K96-L98 HydrophobicContact CG-CD2 4.37Å; K96-L98 HydrophobicContact CG-CG 4.49Å; K96-L98 PolarHBondContact O-N 3.33Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 2.98Å; L98-Q101 PolarHBondContact O-N 2.93Å
99K72.9Confident78.3Confident167 Ų16784 Ų8473%0.72647%0.466SS*.G310 helixtrans-65-29.8175.8-64.3-176.3179.9-179.40113.8A97 Q101 R105A97-K99 PolarHBondContact O-N 3.47Å; K99-Q101 VanDerWaalsContact C-N 3.3Å; K99-R105 PolarHBondContact O-NH1 2.91Å
100R75.8Confident78.1Confident69 Ų6978.6 Ų78.626%0.2643%0.432SS..G310 helixtrans-81.6-9.2177.2-65.7-175.2177.3-102.28.9112.6A97 L98 G109 I110 E112 F115A97-R100 HydrophobicContact CB-CB 4.11Å; A97-R100 HydrophobicContact CB-CG 4.16Å; A97-R100 WeakPolarHBondContact O-CA 3.4Å; A97-R100 WeakPolarHBondContact O-CB 3.48Å; A97-R100 PolarHBondContact O-N 3.39Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 PolarHBondContact O-N 2.98Å; R100-G109 WeakPolarHBondContact O-CA 3.45Å; R100-I110 HydrophobicContact CB-CG2 3.96Å; R100-E112 IonicContact CZ-OE2 2.92Å; R100-E112 IonicContact NH1-OE2 3.33Å; R100-E112 PolarHBondContact NH1-OE2 3.4Å; R100-F115 VanDerWaalsContact CD-CD2 3.42Å
101Q74.7Confident77.9Confident99 Ų9980.1 Ų80.146%0.46344%0.438SS..G310 helixtrans-90.8-6.3174.2-64.9-178.4-8.700113.2A97 L98 K99 I110A97-Q101 PolarHBondContact O-N 3.33Å; L98-Q101 PolarHBondContact O-N 2.93Å; K99-Q101 VanDerWaalsContact C-N 3.3Å; Q101-I110 HydrophobicContact CG-CD1 4.46Å; Q101-I110 HydrophobicContact CG-CG2 3.61Å
102L78.5Confident77.9Confident109 Ų10982 Ų8257%0.57145%0.445SS*.SBendtrans-67.3140.2180-71.6170.2000111.1R105L102-R105 WeakPolarHBondContact O-CG 3.45Å
103P67.1Low77.9Confident92 Ų9284.5 Ų84.560%0.59745%0.447SS*.SBendtrans-69.5162.2175.430.4-34.4000111.5
104F72.6Confident77.8Confident211 Ų21186.2 Ų86.293%0.92546%0.461SS*.SBendtrans66.533.9176.1-46-76.5000115.5
105R74.2Confident77.9Confident104 Ų10485.4 Ų85.439%0.39246%0.455SS..  trans-83.8153.9168.8-62.4179.564.586.812.3110.7K99 L102 D107K99-R105 PolarHBondContact O-NH1 2.91Å; L102-R105 WeakPolarHBondContact O-CG 3.45Å; R105-D107 VanDerWaalsContact CB-OD1 3.31Å; R105-D107 WeakPolarHBondContact CB-OD1 3.41Å; R105-D107 IonicContact CZ-OD1 2.75Å; R105-D107 IonicContact CZ-OD2 3.84Å; R105-D107 IonicContact NE-OD1 3Å; R105-D107 PolarHBondContact NE-OD1 3.22Å; R105-D107 IonicContact NE-OD2 3.7Å; R105-D107 PolarHBondContact NE-OD2 3.36Å; R105-D107 IonicContact NH2-OD1 3.48Å; R105-D107 IonicContact NH2-OD2 3.66Å; R105-D107 PolarHBondContact NH2-OD2 3.37Å
106G70.6Confident78.6Confident99 Ų9983.7 Ų83.7100%1.02143%0.432SS*.SBendtrans-82.40.4171.600000114
107D76.9Confident79.5Confident56 Ų5682.9 Ų82.930%0.29943%0.43SS..SBendtrans-117.2165.7176.559.528.3000110.6R105 G109R105-D107 VanDerWaalsContact CB-OD1 3.31Å; R105-D107 WeakPolarHBondContact CB-OD1 3.41Å; R105-D107 IonicContact CZ-OD1 2.75Å; R105-D107 IonicContact CZ-OD2 3.84Å; R105-D107 IonicContact NE-OD1 3Å; R105-D107 PolarHBondContact NE-OD1 3.22Å; R105-D107 IonicContact NE-OD2 3.7Å; R105-D107 PolarHBondContact NE-OD2 3.36Å; R105-D107 IonicContact NH2-OD1 3.48Å; R105-D107 IonicContact NH2-OD2 3.66Å; R105-D107 PolarHBondContact NH2-OD2 3.37Å; D107-G109 PolarHBondContact O-N 3.45Å; D107-G109 VanDerWaalsContact O-N 3.09Å; D107-G109 WeakPolarHBondContact OD1-CA 3.42Å; D107-G109 PolarHBondContact OD1-N 3.47Å
108E76.2Confident80.1Confident124 Ų12487.4 Ų87.458%0.57945%0.447SS*.  trans-73.110.3173.9-70.3-65.4140.100112.9I110 F111E108-I110 PolarHBondContact O-N 3.02Å; E108-I110 VanDerWaalsContact O-N 3.07Å; E108-F111 HydrophobicContact CB-CB 4.27Å; E108-F111 PolarHBondContact O-N 2.92Å
109G81.9Confident81.2Confident5 Ų582.7 Ų82.75%0.05242%0.421CS..G310 helixtrans57.3-109.8173.500000113.8R100 D107 F111R100-G109 WeakPolarHBondContact O-CA 3.45Å; D107-G109 PolarHBondContact O-N 3.45Å; D107-G109 VanDerWaalsContact O-N 3.09Å; D107-G109 WeakPolarHBondContact OD1-CA 3.42Å; D107-G109 PolarHBondContact OD1-N 3.47Å; G109-F111 VanDerWaalsContact C-N 3.28Å
110I80.8Confident82.3Confident28 Ų2876.5 Ų76.514%0.14439%0.393CS..G310 helixtrans-80-6.8178.861.2168.1000114R100 Q101 E108 F115R100-I110 HydrophobicContact CB-CG2 3.96Å; Q101-I110 HydrophobicContact CG-CD1 4.46Å; Q101-I110 HydrophobicContact CG-CG2 3.61Å; E108-I110 PolarHBondContact O-N 3.02Å; E108-I110 VanDerWaalsContact O-N 3.07Å; I110-F115 HydrophobicContact CB-CD1 4.32Å; I110-F115 HydrophobicContact CB-CE1 3.95Å; I110-F115 HydrophobicContact CG2-CE1 4.01Å; I110-F115 WeakPolarHBondContact O-CD1 3.48Å
111F82.9Confident83.2Confident45 Ų4577.3 Ų77.320%0.19740%0.399CS..G310 helixtrans-104.13.1178.5-52.4-71.4000112.6T39 R46 E108 G109T39-F111 HydrophobicContact CG2-CD1 3.84Å; T39-F111 HydrophobicContact CG2-CE1 3.75Å; R46-F111 HydrophobicContact CB-CE1 3.82Å; R46-F111 HydrophobicContact CB-CE2 4.44Å; R46-F111 HydrophobicContact CB-CZ 3.52Å; E108-F111 HydrophobicContact CB-CB 4.27Å; E108-F111 PolarHBondContact O-N 2.92Å; G109-F111 VanDerWaalsContact C-N 3.28Å
112E88Confident84.2Confident65 Ų6573.4 Ų73.430%0.30439%0.386SS..  trans-63.8132.4171.9-164.7-167.716500110.1R100 S114 F115 I116R100-E112 IonicContact CZ-OE2 2.92Å; R100-E112 IonicContact NH1-OE2 3.33Å; R100-E112 PolarHBondContact NH1-OE2 3.4Å; E112-S114 VanDerWaalsContact C-N 3.32Å; E112-S114 WeakPolarHBondContact CG-OG 3.32Å; E112-S114 PolarHBondContact O-N 3.17Å; E112-S114 PolarHBondContact OE1-OG 3.31Å; E112-S114 PolarHBondContact OE2-OG 2.93Å; E112-F115 HydrophobicContact CB-CB 4.15Å; E112-F115 WeakPolarHBondContact O-CB 3.22Å; E112-F115 PolarHBondContact O-N 3.18Å; E112-F115 VanDerWaalsContact O-N 3.11Å; E112-I116 WeakPolarHBondContact O-CG1 3.43Å; E112-I116 PolarHBondContact O-N 3.35Å
113E87.7Confident85Confident165 Ų16568.2 Ų68.277%0.77136%0.358SS*.Hα-helixtrans-60.4-40.6-175.9-174170.8-158.900112.4F115 I116 E117E113-F115 VanDerWaalsContact C-N 3.27Å; E113-F115 PolarHBondContact O-N 2.99Å; E113-I116 PolarHBondContact O-N 2.98Å; E113-E117 WeakPolarHBondContact O-CB 3.1Å; E113-E117 PolarHBondContact O-N 3.37Å
114S88.3Confident86.4Confident63 Ų6365.8 Ų65.844%0.44134%0.339SS..Hα-helixtrans-56.7-42.4175.667.20000111.8E112 E118E112-S114 VanDerWaalsContact C-N 3.32Å; E112-S114 WeakPolarHBondContact CG-OG 3.32Å; E112-S114 PolarHBondContact O-N 3.17Å; E112-S114 PolarHBondContact OE1-OG 3.31Å; E112-S114 PolarHBondContact OE2-OG 2.93Å; S114-E118 WeakPolarHBondContact O-CB 3.24Å; S114-E118 PolarHBondContact O-N 3.26Å
115F88.8Confident87.5Confident9 Ų961.2 Ų61.24%0.03932%0.321CS..Hα-helixtrans-72.8-39.9179.7177.2-103.8000112.3A97 R100 I110 E112 E113 E117 R119A97-F115 HydrophobicContact CB-CE1 4.49Å; A97-F115 HydrophobicContact CB-CE2 3.42Å; A97-F115 VanDerWaalsContact CB-CE2 3.42Å; A97-F115 HydrophobicContact CB-CZ 3.34Å; R100-F115 VanDerWaalsContact CD-CD2 3.42Å; I110-F115 HydrophobicContact CB-CD1 4.32Å; I110-F115 HydrophobicContact CB-CE1 3.95Å; I110-F115 HydrophobicContact CG2-CE1 4.01Å; I110-F115 WeakPolarHBondContact O-CD1 3.48Å; E112-F115 HydrophobicContact CB-CB 4.15Å; E112-F115 WeakPolarHBondContact O-CB 3.22Å; E112-F115 PolarHBondContact O-N 3.18Å; E112-F115 VanDerWaalsContact O-N 3.11Å; E113-F115 VanDerWaalsContact C-N 3.27Å; E113-F115 PolarHBondContact O-N 2.99Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.34Å; F115-R119 VanDerWaalsContact CE1-CZ 3.42Å; F115-R119 VanDerWaalsContact CZ-CZ 3.45Å; F115-R119 VanDerWaalsContact O-CB 3.26Å; F115-R119 WeakPolarHBondContact O-CB 3.27Å; F115-R119 PolarHBondContact O-N 2.69Å
116I91.2Very high88.5Confident18 Ų1856.4 Ų56.49%0.09230%0.303CS..Hα-helixtrans-60.8-43175.9-71.5172.8000110.1P37 T48 Y50 E112 E113 R120P37-I116 HydrophobicContact CB-CG2 3.29Å; P37-I116 HydrophobicContact CG-CG2 3.68Å; T48-I116 HydrophobicContact CG2-CD1 4.33Å; T48-I116 HydrophobicContact CG2-CG1 4.41Å; T48-I116 HydrophobicContact CG2-CG2 4.33Å; Y50-I116 HydrophobicContact CE1-CG2 4.03Å; E112-I116 WeakPolarHBondContact O-CG1 3.43Å; E112-I116 PolarHBondContact O-N 3.35Å; E113-I116 PolarHBondContact O-N 2.98Å; I116-R120 WeakPolarHBondContact O-CB 3.3Å; I116-R120 PolarHBondContact O-N 3.2Å
117E91.9Very high89.7Confident69 Ų6951.7 Ų51.732%0.32225%0.254SS..Hα-helixtrans-70.7-44.2179.7-178.152.7-149.600112.4E113 F115 R119 R120 Q121E113-E117 WeakPolarHBondContact O-CB 3.1Å; E113-E117 PolarHBondContact O-N 3.37Å; F115-E117 VanDerWaalsContact C-N 3.29Å; F115-E117 PolarHBondContact O-N 3.34Å; E117-R119 VanDerWaalsContact C-N 3.28Å; E117-R119 PolarHBondContact O-N 3.47Å; E117-R120 VanDerWaalsContact CD-NE 3.27Å; E117-R120 WeakPolarHBondContact O-CB 3.34Å; E117-R120 PolarHBondContact O-N 2.67Å; E117-R120 VanDerWaalsContact O-N 3.15Å; E117-R120 IonicContact OE1-CZ 3.66Å; E117-R120 VanDerWaalsContact OE1-CZ 3.3Å; E117-R120 IonicContact OE1-NE 2.98Å; E117-R120 PolarHBondContact OE1-NE 2.84Å; E117-R120 IonicContact OE1-NH2 2.78Å; E117-R120 PolarHBondContact OE1-NH2 2.92Å; E117-R120 WeakPolarHBondContact OE2-CD 3.14Å; E117-R120 IonicContact OE2-CZ 3.66Å; E117-R120 IonicContact OE2-NE 2.86Å; E117-R120 PolarHBondContact OE2-NE 3.04Å; E117-Q121 WeakPolarHBondContact O-CG 3.25Å; E117-Q121 PolarHBondContact O-N 3.31Å; E117-Q121 WeakPolarHBondContact OE1-CG 3.46Å; E117-Q121 PolarHBondContact OE1-NE2 2.92Å
118E91.4Very high90.5Very high121 Ų12151.7 Ų51.757%0.56525%0.254SS*.Hα-helixtrans-55.8-45.6172.9-175.4-168.8162.500110.9S114 G122S114-E118 WeakPolarHBondContact O-CB 3.24Å; S114-E118 PolarHBondContact O-N 3.26Å; E118-G122 PolarHBondContact O-N 3.07Å
119R93.4Very high91.3Very high19 Ų1952 Ų527%0.07225%0.254CS..Hα-helixtrans-64.8-43.1176.6177.1176.3-79.5177-8111.7Y50 Y72 P94 K96 F115 E117 Q121 G122 L123Y50-R119 WeakPolarHBondContact OH-CD 3.34Å; Y50-R119 WeakPolarHBondContact OH-CG 3.33Å; Y72-R119 HydrophobicContact CD2-CG 4.39Å; P94-R119 HydrophobicContact CG-CG 4.31Å; K96-R119 PolarHBondContact O-NH2 2.6Å; F115-R119 VanDerWaalsContact CE1-CZ 3.42Å; F115-R119 VanDerWaalsContact CZ-CZ 3.45Å; F115-R119 VanDerWaalsContact O-CB 3.26Å; F115-R119 WeakPolarHBondContact O-CB 3.27Å; F115-R119 PolarHBondContact O-N 2.69Å; E117-R119 VanDerWaalsContact C-N 3.28Å; E117-R119 PolarHBondContact O-N 3.47Å; R119-Q121 PolarHBondContact O-N 2.96Å; R119-G122 PolarHBondContact O-N 3.46Å; R119-L123 HydrophobicContact CG-CD1 3.86Å; R119-L123 HydrophobicContact CG-CG 4.14Å; R119-L123 WeakPolarHBondContact O-CB 3.46Å; R119-L123 VanDerWaalsContact O-CG 3.24Å; R119-L123 WeakPolarHBondContact O-CG 3.47Å; R119-L123 PolarHBondContact O-N 3.05Å
120R95.2Very high91.9Very high36 Ų3651.9 Ų51.914%0.13625%0.251CS..Hα-helixtrans-56.4-50.1178.3-172.5-155.668.765.43.4110.8I34 Y50 I116 E117 G122 L123 E124I34-R120 HydrophobicContact CB-CG 4.19Å; I34-R120 HydrophobicContact CG2-CG 3.84Å; I34-R120 WeakPolarHBondContact O-CD 3.3Å; I34-R120 VanDerWaalsContact O-CG 3.27Å; I34-R120 WeakPolarHBondContact O-CG 3.41Å; I34-R120 PolarHBondContact O-NH1 2.98Å; Y50-R120 HydrophobicContact CD1-CB 4.35Å; Y50-R120 HydrophobicContact CD1-CG 4.21Å; Y50-R120 HydrophobicContact CE1-CB 4.03Å; Y50-R120 HydrophobicContact CE1-CG 4.39Å; I116-R120 WeakPolarHBondContact O-CB 3.3Å; I116-R120 PolarHBondContact O-N 3.2Å; E117-R120 VanDerWaalsContact CD-NE 3.27Å; E117-R120 WeakPolarHBondContact O-CB 3.34Å; E117-R120 PolarHBondContact O-N 2.67Å; E117-R120 VanDerWaalsContact O-N 3.15Å; E117-R120 IonicContact OE1-CZ 3.66Å; E117-R120 VanDerWaalsContact OE1-CZ 3.3Å; E117-R120 IonicContact OE1-NE 2.98Å; E117-R120 PolarHBondContact OE1-NE 2.84Å; E117-R120 IonicContact OE1-NH2 2.78Å; E117-R120 PolarHBondContact OE1-NH2 2.92Å; E117-R120 WeakPolarHBondContact OE2-CD 3.14Å; E117-R120 IonicContact OE2-CZ 3.66Å; E117-R120 IonicContact OE2-NE 2.86Å; E117-R120 PolarHBondContact OE2-NE 3.04Å; R120-G122 PolarHBondContact O-N 3.46Å; R120-L123 PolarHBondContact O-N 3.01Å; R120-E124 IonicContact CZ-OE2 3.72Å; R120-E124 IonicContact NH1-OE1 2.74Å; R120-E124 PolarHBondContact NH1-OE1 3.34Å; R120-E124 IonicContact NH1-OE2 3.97Å; R120-E124 PolarHBondContact NH1-OE2 3.23Å; R120-E124 IonicContact NH2-OE2 2.67Å; R120-E124 WeakPolarHBondContact O-CB 3.44Å; R120-E124 PolarHBondContact O-N 3.32Å
121Q94.8Very high92.5Very high86 Ų8650.5 Ų50.540%0.40225%0.245SC..Hα-helixtrans-60.1-44.3177.1-69.1175.321.500112.1E117 R119 E124 Q125E117-Q121 WeakPolarHBondContact O-CG 3.25Å; E117-Q121 PolarHBondContact O-N 3.31Å; E117-Q121 WeakPolarHBondContact OE1-CG 3.46Å; E117-Q121 PolarHBondContact OE1-NE2 2.92Å; R119-Q121 PolarHBondContact O-N 2.96Å; Q121-E124 PolarHBondContact O-N 2.83Å; Q121-Q125 VanDerWaalsContact O-CG 3.32Å; Q121-Q125 WeakPolarHBondContact O-CG 3.37Å; Q121-Q125 PolarHBondContact O-N 3.02Å
122G94.9Very high92.8Very high17 Ų1750.7 Ų50.718%0.17526%0.259CS..Hα-helixtrans-64.7-39.4177.900000113.2E118 R119 R120 E124 F126E118-G122 PolarHBondContact O-N 3.07Å; R119-G122 PolarHBondContact O-N 3.46Å; R120-G122 PolarHBondContact O-N 3.46Å; G122-E124 VanDerWaalsContact C-N 3.35Å; G122-F126 WeakPolarHBondContact O-CB 3.11Å; G122-F126 PolarHBondContact O-N 3.42Å
123L96.3Very high92.9Very high0 Ų050.7 Ų50.70%026%0.259CS..Hα-helixtrans-67.1-38.1176.1-69.8176.5000111.5I34 Y50 Y72 F75 L93 P94 R119 R120 F126 I127I34-L123 VanDerWaalsContact CD1-C 3.4Å; I34-L123 HydrophobicContact CD1-CB 3.54Å; Y50-L123 HydrophobicContact CD2-CD1 3.96Å; Y50-L123 HydrophobicContact CE2-CD1 3.77Å; Y72-L123 HydrophobicContact CD2-CD2 4.01Å; Y72-L123 HydrophobicContact CE2-CD2 4.36Å; F75-L123 HydrophobicContact CB-CD2 3.94Å; F75-L123 HydrophobicContact CD1-CB 4.5Å; F75-L123 HydrophobicContact CD1-CD2 3.84Å; F75-L123 HydrophobicContact CD2-CD1 4.16Å; F75-L123 HydrophobicContact CD2-CD2 3.93Å; F75-L123 HydrophobicContact CE1-CB 4.14Å; F75-L123 HydrophobicContact CE1-CD2 4.28Å; F75-L123 HydrophobicContact CE2-CD1 4.01Å; F75-L123 HydrophobicContact CE2-CD2 4.39Å; F75-L123 HydrophobicContact CG-CD2 3.65Å; F75-L123 HydrophobicContact CZ-CB 4.24Å; F75-L123 HydrophobicContact CZ-CD1 4.38Å; L93-L123 HydrophobicContact CD2-CD2 4.01Å; P94-L123 HydrophobicContact CG-CD2 3.82Å; P94-L123 HydrophobicContact CG-CG 3.88Å; R119-L123 HydrophobicContact CG-CD1 3.86Å; R119-L123 HydrophobicContact CG-CG 4.14Å; R119-L123 WeakPolarHBondContact O-CB 3.46Å; R119-L123 VanDerWaalsContact O-CG 3.24Å; R119-L123 WeakPolarHBondContact O-CG 3.47Å; R119-L123 PolarHBondContact O-N 3.05Å; R120-L123 PolarHBondContact O-N 3.01Å; L123-F126 WeakPolarHBondContact O-CB 3.35Å; L123-F126 PolarHBondContact O-N 3.47Å; L123-I127 WeakPolarHBondContact O-CG2 3.27Å; L123-I127 PolarHBondContact O-N 2.82Å
124E96.2Very high92.9Very high41 Ų4147 Ų4719%0.19225%0.249CC..Hα-helixtrans-66.1-46.3178.6-179.2167.6-118.500110.8D33 I34 R120 Q121 G122 F126 I127 N128D33-E124 WeakPolarHBondContact CA-OE1 3.36Å; I34-E124 HydrophobicContact CB-CB 4.2Å; I34-E124 HydrophobicContact CD1-CB 4.18Å; I34-E124 HydrophobicContact CG1-CB 4.07Å; I34-E124 PolarHBondContact N-OE1 2.86Å; R120-E124 IonicContact CZ-OE2 3.72Å; R120-E124 IonicContact NH1-OE1 2.74Å; R120-E124 PolarHBondContact NH1-OE1 3.34Å; R120-E124 IonicContact NH1-OE2 3.97Å; R120-E124 PolarHBondContact NH1-OE2 3.23Å; R120-E124 IonicContact NH2-OE2 2.67Å; R120-E124 WeakPolarHBondContact O-CB 3.44Å; R120-E124 PolarHBondContact O-N 3.32Å; Q121-E124 PolarHBondContact O-N 2.83Å; G122-E124 VanDerWaalsContact C-N 3.35Å; E124-F126 VanDerWaalsContact C-N 3.3Å; E124-F126 PolarHBondContact O-N 3.33Å; E124-I127 WeakPolarHBondContact O-CG2 3.49Å; E124-I127 PolarHBondContact O-N 3.48Å; E124-N128 WeakPolarHBondContact O-CB 3.41Å; E124-N128 PolarHBondContact O-N 3.06Å; E124-N128 PolarHBondContact O-ND2 3.15Å
125Q94.9Very high92.9Very high115 Ų11548.1 Ų48.154%0.53725%0.25SC..Hα-helixtrans-61.5-39.6174-69.8175.223.500112.2Q121 K129Q121-Q125 VanDerWaalsContact O-CG 3.32Å; Q121-Q125 WeakPolarHBondContact O-CG 3.37Å; Q121-Q125 PolarHBondContact O-N 3.02Å; Q125-K129 WeakPolarHBondContact O-CB 3.45Å; Q125-K129 VanDerWaalsContact O-CG 3.27Å; Q125-K129 WeakPolarHBondContact O-CG 3.48Å; Q125-K129 PolarHBondContact O-N 2.96Å
126F95.4Very high93Very high3 Ų347.7 Ų47.71%0.01325%0.248CC..Hα-helixtrans-61.8-52.1177.3167.1-92.4000111.5F75 L78 K79 V90 P91 L93 G122 L123 E124 K129 I130F75-F126 AromaticContact CD1-CD1 3.92Å; F75-F126 HydrophobicContact CD1-CD1 3.92Å; F75-F126 HydrophobicContact CD1-CE1 4.12Å; L78-F126 HydrophobicContact CD2-CE1 4.33Å; K79-F126 HydrophobicContact CB-CE2 4.34Å; K79-F126 HydrophobicContact CB-CZ 3.99Å; V90-F126 HydrophobicContact CG1-CE2 3.69Å; V90-F126 HydrophobicContact CG1-CZ 4.2Å; P91-F126 HydrophobicContact CB-CD2 4.18Å; P91-F126 WeakPolarHBondContact O-CD2 3.26Å; P91-F126 WeakPolarHBondContact O-CE2 3.17Å; L93-F126 HydrophobicContact CD2-CB 4.27Å; L93-F126 HydrophobicContact CD2-CD1 3.65Å; L93-F126 HydrophobicContact CD2-CD2 3.63Å; L93-F126 HydrophobicContact CD2-CE1 3.82Å; L93-F126 HydrophobicContact CD2-CE2 3.79Å; L93-F126 HydrophobicContact CD2-CG 3.56Å; L93-F126 HydrophobicContact CD2-CZ 3.89Å; L93-F126 HydrophobicContact CG-CD2 4.15Å; L93-F126 HydrophobicContact CG-CE2 4.09Å; L93-F126 HydrophobicContact CG-CZ 4.43Å; G122-F126 WeakPolarHBondContact O-CB 3.11Å; G122-F126 PolarHBondContact O-N 3.42Å; L123-F126 WeakPolarHBondContact O-CB 3.35Å; L123-F126 PolarHBondContact O-N 3.47Å; E124-F126 VanDerWaalsContact C-N 3.3Å; E124-F126 PolarHBondContact O-N 3.33Å; F126-K129 PolarHBondContact O-N 3.33Å; F126-I130 HydrophobicContact CD2-CG1 4.49Å; F126-I130 HydrophobicContact CE1-CG1 4.3Å; F126-I130 HydrophobicContact CE2-CG1 4.04Å; F126-I130 HydrophobicContact CZ-CG1 3.93Å; F126-I130 PolarHBondContact O-N 3.18Å
127I96.1Very high92.9Very high0 Ų048.3 Ų48.30%025%0.25CS..Hα-helixtrans-70.6-36.4-173.8-166.260.7000112.1I32 I34 F75 L78 L123 E124 K129 I130 A131 L142 F145 L146I32-I127 HydrophobicContact CB-CG2 4.16Å; I32-I127 HydrophobicContact CD1-CG1 3.99Å; I32-I127 HydrophobicContact CG2-CG1 4.23Å; I32-I127 HydrophobicContact CG2-CG2 3.61Å; I34-I127 HydrophobicContact CD1-CG2 4.07Å; I34-I127 HydrophobicContact CG1-CG2 4.41Å; F75-I127 HydrophobicContact CE1-CB 4.24Å; L78-I127 HydrophobicContact CD2-CD1 3.67Å; L123-I127 WeakPolarHBondContact O-CG2 3.27Å; L123-I127 PolarHBondContact O-N 2.82Å; E124-I127 WeakPolarHBondContact O-CG2 3.49Å; E124-I127 PolarHBondContact O-N 3.48Å; I127-K129 PolarHBondContact O-N 3.23Å; I127-I130 PolarHBondContact O-N 2.87Å; I127-A131 VanDerWaalsContact O-CB 3.25Å; I127-A131 WeakPolarHBondContact O-CB 3.28Å; I127-A131 PolarHBondContact O-N 3.42Å; I127-L142 HydrophobicContact CD1-CD1 4.08Å; I127-F145 HydrophobicContact CD1-CD1 3.93Å; I127-F145 HydrophobicContact CD1-CE1 3.8Å; I127-F145 HydrophobicContact CG1-CE1 4.26Å; I127-L146 HydrophobicContact CD1-CD2 4.14Å; I127-L146 HydrophobicContact CG1-CD2 3.93Å
128N95Very high92.7Very high56 Ų5650 Ų5030%0.29926%0.262SS..Hα-helixtrans-62.8-41.8175.3-80.7-69.5000111.6I32 E124 G132I32-N128 PolarHBondContact N-OD1 3.07Å; I32-N128 PolarHBondContact O-ND2 3.09Å; I32-N128 PolarHBondContact O-OD1 3.49Å; E124-N128 WeakPolarHBondContact O-CB 3.41Å; E124-N128 PolarHBondContact O-N 3.06Å; E124-N128 PolarHBondContact O-ND2 3.15Å; N128-G132 PolarHBondContact O-N 3.39Å
129K93.3Very high92.6Very high132 Ų13246.3 Ų46.357%0.57424%0.244SC*.Hα-helixtrans-64.3-42176-75.2174.4-177.3174.70112.5P91 Q125 F126 I127P91-K129 HydrophobicContact CB-CD 4.21Å; P91-K129 HydrophobicContact CG-CB 3.79Å; P91-K129 HydrophobicContact CG-CD 4Å; Q125-K129 WeakPolarHBondContact O-CB 3.45Å; Q125-K129 VanDerWaalsContact O-CG 3.27Å; Q125-K129 WeakPolarHBondContact O-CG 3.48Å; Q125-K129 PolarHBondContact O-N 2.96Å; F126-K129 PolarHBondContact O-N 3.33Å; I127-K129 PolarHBondContact O-N 3.23Å
130I93.6Very high92.3Very high1 Ų148.5 Ų48.51%0.00525%0.253CS..Hα-helixtrans-67.8-49.4178.1-74.5-57.4000111L82 V90 P91 F126 I127 G132 H133 A136 L142L82-I130 HydrophobicContact CD1-CD1 4.05Å; L82-I130 HydrophobicContact CD1-CG1 4.32Å; L82-I130 HydrophobicContact CD1-CG2 3.49Å; L82-I130 VanDerWaalsContact CD1-CG2 3.49Å; V90-I130 HydrophobicContact CB-CD1 4.49Å; V90-I130 HydrophobicContact CG1-CD1 4.12Å; V90-I130 HydrophobicContact CG2-CD1 4.37Å; P91-I130 HydrophobicContact CG-CD1 4.31Å; P91-I130 HydrophobicContact CG-CG1 4.48Å; F126-I130 HydrophobicContact CD2-CG1 4.49Å; F126-I130 HydrophobicContact CE1-CG1 4.3Å; F126-I130 HydrophobicContact CE2-CG1 4.04Å; F126-I130 HydrophobicContact CZ-CG1 3.93Å; F126-I130 PolarHBondContact O-N 3.18Å; I127-I130 PolarHBondContact O-N 2.87Å; I130-G132 VanDerWaalsContact C-N 3.25Å; I130-G132 PolarHBondContact O-N 2.78Å; I130-H133 WeakPolarHBondContact O-CB 3.41Å; I130-H133 PolarHBondContact O-N 3.23Å; I130-A136 HydrophobicContact CG2-CB 4.07Å; I130-A136 VanDerWaalsContact O-CB 3.28Å; I130-A136 WeakPolarHBondContact O-CB 3.39Å; I130-L142 HydrophobicContact CG2-CD1 3.93Å
131A92.8Very high92.2Very high0 Ų046.9 Ų46.90%025%0.247CC..Hα-helixtrans-69.9-24.7-175.200000112.7L30 I32 I127 H133 Q137 L142 L146L30-A131 VanDerWaalsContact CD2-C 3.49Å; L30-A131 HydrophobicContact CD2-CB 3.67Å; L30-A131 WeakPolarHBondContact CD2-O 3.11Å; L30-A131 HydrophobicContact CG-CB 4.5Å; I32-A131 HydrophobicContact CD1-CB 3.35Å; I127-A131 VanDerWaalsContact O-CB 3.25Å; I127-A131 WeakPolarHBondContact O-CB 3.28Å; I127-A131 PolarHBondContact O-N 3.42Å; A131-H133 VanDerWaalsContact C-N 3.27Å; A131-H133 PolarHBondContact O-N 3.41Å; A131-Q137 WeakPolarHBondContact O-CG 3.49Å; A131-Q137 PolarHBondContact O-NE2 2.67Å; A131-L142 HydrophobicContact CB-CD1 4.43Å; A131-L142 HydrophobicContact CB-CD2 4.32Å; A131-L146 HydrophobicContact CB-CD1 4.31Å
132G90.1Very high92.1Very high48 Ų4842.8 Ų42.850%0.49523%0.228SC..THydrogen-bonded Turntrans-73.8-11.1170.400000114.8N128 I130N128-G132 PolarHBondContact O-N 3.39Å; I130-G132 VanDerWaalsContact C-N 3.25Å; I130-G132 PolarHBondContact O-N 2.78Å
133H90.4Very high92Very high66 Ų6642.3 Ų42.331%0.30622%0.221SC..  trans-86.3121.1-176.8-165.1-71000111.4I130 A131 L135 A136 Q137I130-H133 WeakPolarHBondContact O-CB 3.41Å; I130-H133 PolarHBondContact O-N 3.23Å; A131-H133 VanDerWaalsContact C-N 3.27Å; A131-H133 PolarHBondContact O-N 3.41Å; H133-L135 VanDerWaalsContact C-N 3.31Å; H133-L135 PolarHBondContact ND1-N 3.03Å; H133-L135 PolarHBondContact O-N 3.21Å; H133-A136 HydrophobicContact CB-CB 4.11Å; H133-A136 WeakPolarHBondContact O-CB 3.2Å; H133-A136 PolarHBondContact O-N 2.74Å; H133-Q137 PolarHBondContact O-N 3.05Å
134P87.8Confident91.8Very high86 Ų8642.3 Ų42.356%0.55822%0.221SC*.Hα-helixtrans-56.8-39.6-174.9-27.234.5000114.1A136 Q137 N138P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.35Å; P134-Q137 PolarHBondContact O-N 3.37Å; P134-N138 PolarHBondContact O-N 3.35Å
135L88.1Confident91.8Very high88 Ų8840.3 Ų40.346%0.46121%0.212SC..Hα-helixtrans-64.8-35.3176.3-61.4-179.4000112.6I88 H133 N138I88-L135 HydrophobicContact CD1-CB 3.49Å; I88-L135 VanDerWaalsContact CD1-CB 3.49Å; I88-L135 HydrophobicContact CG1-CB 3.7Å; I88-L135 HydrophobicContact CG1-CD1 4.07Å; H133-L135 VanDerWaalsContact C-N 3.31Å; H133-L135 PolarHBondContact ND1-N 3.03Å; H133-L135 PolarHBondContact O-N 3.21Å; L135-N138 PolarHBondContact O-N 3.13Å
136A89.6Confident91.8Very high0 Ų034.9 Ų34.90%019%0.186CC..Hα-helixtrans-75.1-31.2178.800000111.3L82 I88 I130 H133 P134 N138 E139 L142L82-A136 HydrophobicContact CD2-CB 4.23Å; I88-A136 HydrophobicContact CD1-CB 3.7Å; I88-A136 VanDerWaalsContact CD1-N 3.27Å; I130-A136 HydrophobicContact CG2-CB 4.07Å; I130-A136 VanDerWaalsContact O-CB 3.28Å; I130-A136 WeakPolarHBondContact O-CB 3.39Å; H133-A136 HydrophobicContact CB-CB 4.11Å; H133-A136 WeakPolarHBondContact O-CB 3.2Å; H133-A136 PolarHBondContact O-N 2.74Å; P134-A136 VanDerWaalsContact C-N 3.32Å; P134-A136 PolarHBondContact O-N 3.35Å; A136-N138 PolarHBondContact O-N 3.26Å; A136-E139 WeakPolarHBondContact O-CB 3.28Å; A136-E139 PolarHBondContact O-N 3.28Å; A136-L142 HydrophobicContact CB-CD2 4.35Å; A136-L142 WeakPolarHBondContact O-CD2 3.18Å
137Q90Very high91.7Very high30 Ų3035.8 Ų35.814%0.1419%0.191CC..Hα-helixtrans-61.8-27.3174.3-66.3178.9-6.800112.5I60 F61 A131 H133 P134 E139 H143I60-Q137 HydrophobicContact CD1-CB 3.79Å; I60-Q137 VanDerWaalsContact CD1-O 3.28Å; I60-Q137 WeakPolarHBondContact CD1-O 3.41Å; I60-Q137 HydrophobicContact CG1-CB 4.45Å; I60-Q137 HydrophobicContact CG2-CB 4.36Å; F61-Q137 HydrophobicContact CZ-CG 4.46Å; A131-Q137 WeakPolarHBondContact O-CG 3.49Å; A131-Q137 PolarHBondContact O-NE2 2.67Å; H133-Q137 PolarHBondContact O-N 3.05Å; P134-Q137 PolarHBondContact O-N 3.37Å; Q137-E139 VanDerWaalsContact C-N 3.28Å; Q137-H143 PolarHBondContact O-NE2 3.03Å
138N88.1Confident91.6Very high106 Ų10638.9 Ų38.957%0.56721%0.205SC*.THydrogen-bonded Turntrans-77-14.9175.5-68.5-25000113.4I60 P134 L135 A136I60-N138 WeakPolarHBondContact CD1-OD1 3.48Å; P134-N138 PolarHBondContact O-N 3.35Å; L135-N138 PolarHBondContact O-N 3.13Å; A136-N138 PolarHBondContact O-N 3.26Å
139E88.5Confident91.4Very high43 Ų4344.8 Ų44.820%0.20123%0.231CC..  trans-85.8127-174.6-63.2-66.7170.400112L82 S86 A136 Q137 C141 L142 H143L82-E139 HydrophobicContact CD2-CB 4.04Å; L82-E139 HydrophobicContact CD2-CG 3.88Å; S86-E139 WeakPolarHBondContact OG-CG 3.37Å; S86-E139 PolarHBondContact OG-OE1 3.43Å; A136-E139 WeakPolarHBondContact O-CB 3.28Å; A136-E139 PolarHBondContact O-N 3.28Å; Q137-E139 VanDerWaalsContact C-N 3.28Å; E139-C141 PolarHBondContact O-N 3.41Å; E139-L142 PolarHBondContact O-N 3.04Å; E139-H143 PolarHBondContact O-CD2 2.64Å; E139-H143 VanDerWaalsContact O-CD2 3.23Å
140R88.4Confident91.2Very high64 Ų6441.9 Ų41.924%0.24223%0.232CC..Hα-helixtrans-61.5-29.6178.8176.6171.9-176.7-106.1-10.4112.7L142 H143 M144 E148 Y155R140-L142 PolarHBondContact O-N 3.34Å; R140-H143 PolarHBondContact O-N 2.73Å; R140-H143 VanDerWaalsContact O-N 3.17Å; R140-M144 PolarHBondContact O-N 2.85Å; R140-E148 IonicContact NH2-OE1 2.73Å; R140-E148 PolarHBondContact NH2-OE1 3.26Å; R140-Y155 HydrophobicContact CB-CE2 4.3Å; R140-Y155 WeakPolarHBondContact CB-OH 3.36Å; R140-Y155 HydrophobicContact CG-CE2 4.04Å
141C91.4Very high91Very high2 Ų243.2 Ų43.21%0.01424%0.238CC..Hα-helixtrans-60.4-34.7179.2630000112.4W77 L78 E81 E139 F145 Y155W77-C141 HydrophobicContact CH2-CB 3.7Å; W77-C141 HydrophobicContact CZ2-CB 4.49Å; W77-C141 HydrophobicContact CZ3-CB 4.3Å; L78-C141 HydrophobicContact CD1-CB 4.26Å; E81-C141 HydrophobicContact CB-CB 4.21Å; E81-C141 HydrophobicContact CG-CB 3.53Å; E139-C141 PolarHBondContact O-N 3.41Å; C141-F145 VanDerWaalsContact O-CB 3.27Å; C141-F145 WeakPolarHBondContact O-CB 3.13Å; C141-F145 PolarHBondContact O-N 3.05Å; C141-Y155 HydrophobicContact CB-CE1 4.45Å
142L93.1Very high90.8Very high0 Ų046.9 Ų46.90%026%0.258CS..Hα-helixtrans-67.1-44.4175.4-177.964.6000111.4F61 L78 I127 I130 A131 A136 E139 R140 F145 L146F61-L142 HydrophobicContact CZ-CD2 4.4Å; L78-L142 HydrophobicContact CD2-CD1 4.27Å; I127-L142 HydrophobicContact CD1-CD1 4.08Å; I130-L142 HydrophobicContact CG2-CD1 3.93Å; A131-L142 HydrophobicContact CB-CD1 4.43Å; A131-L142 HydrophobicContact CB-CD2 4.32Å; A136-L142 HydrophobicContact CB-CD2 4.35Å; A136-L142 WeakPolarHBondContact O-CD2 3.18Å; E139-L142 PolarHBondContact O-N 3.04Å; R140-L142 PolarHBondContact O-N 3.34Å; L142-F145 PolarHBondContact O-N 2.95Å; L142-L146 HydrophobicContact CD1-CD1 3.72Å; L142-L146 HydrophobicContact CD1-CG 4.16Å; L142-L146 HydrophobicContact CG-CD1 3.93Å; L142-L146 WeakPolarHBondContact O-CG 3.35Å; L142-L146 PolarHBondContact O-N 3.06Å
143H92.4Very high90.5Very high7 Ų752.7 Ų52.73%0.03227%0.265CS..Hα-helixtrans-63.2-45.6177.3-65.5-77.9000111.7I60 F61 Q137 E139 R140 F145 L146 Q147I60-H143 PolarHBondContact O-CE1 2.92Å; F61-H143 AromaticContact CD1-CE1 3.6Å; F61-H143 AromaticContact CD1-ND1 3.53Å; F61-H143 AromaticContact CE1-CE1 3.75Å; F61-H143 AromaticContact CE1-ND1 3.85Å; Q137-H143 PolarHBondContact O-NE2 3.03Å; E139-H143 PolarHBondContact O-CD2 2.64Å; E139-H143 VanDerWaalsContact O-CD2 3.23Å; R140-H143 PolarHBondContact O-N 2.73Å; R140-H143 VanDerWaalsContact O-N 3.17Å; H143-F145 VanDerWaalsContact C-N 3.27Å; H143-F145 PolarHBondContact O-N 3Å; H143-L146 PolarHBondContact O-N 2.86Å; H143-Q147 VanDerWaalsContact O-CB 3.31Å; H143-Q147 WeakPolarHBondContact O-CB 3.17Å; H143-Q147 PolarHBondContact O-N 2.74Å
144M93.4Very high90.1Very high0 Ų056.2 Ų56.20%029%0.286CS..Hα-helixtrans-60.7-40.3175.5-177.6167.861.400111.1R70 W77 R140 E148 I151 D152 Y155R70-M144 PolarHBondContact NH2-O 3.37Å; W77-M144 HydrophobicContact CH2-CE 3.17Å; W77-M144 HydrophobicContact CZ2-CE 3.56Å; W77-M144 HydrophobicContact CZ3-CE 4.13Å; R140-M144 PolarHBondContact O-N 2.85Å; M144-E148 HydrophobicContact CG-CB 4.32Å; M144-E148 HydrophobicContact CG-CG 4.39Å; M144-E148 WeakPolarHBondContact O-CB 3.18Å; M144-E148 PolarHBondContact O-N 2.98Å; M144-I151 HydrophobicContact CE-CG2 3.97Å; M144-I151 HydrophobicContact SD-CG2 4.49Å; M144-D152 HydrophobicContact SD-CB 3.87Å; M144-D152 PolarHBondContact SD-N 2.92Å; M144-D152 VanDerWaalsContact SD-N 3.41Å; M144-Y155 HydrophobicContact CE-CD1 4.16Å; M144-Y155 HydrophobicContact CE-CG 4Å
145F95.5Very high89.6Confident0 Ų053.2 Ų53.20%026%0.264CS..Hα-helixtrans-64.8-43177.1-176.2-91000112.9R70 D74 F75 L78 I127 C141 L142 H143 I151R70-F145 HydrophobicContact CB-CE2 4.28Å; R70-F145 HydrophobicContact CB-CZ 4.05Å; R70-F145 HydrophobicContact CG-CE1 4.25Å; R70-F145 HydrophobicContact CG-CE2 3.86Å; R70-F145 HydrophobicContact CG-CZ 3.7Å; R70-F145 VanDerWaalsContact CZ-O 3.27Å; R70-F145 PolarHBondContact NE-O 2.79Å; R70-F145 PolarHBondContact NH2-O 2.96Å; D74-F145 HydrophobicContact CB-CE2 3.97Å; F75-F145 HydrophobicContact CD1-CE1 4.26Å; F75-F145 HydrophobicContact CD1-CE2 4.4Å; F75-F145 AromaticContact CD1-CZ 3.62Å; F75-F145 HydrophobicContact CD1-CZ 3.62Å; F75-F145 HydrophobicContact CD2-CE2 4.34Å; F75-F145 AromaticContact CD2-CZ 3.91Å; F75-F145 HydrophobicContact CD2-CZ 3.91Å; F75-F145 AromaticContact CE1-CE1 3.89Å; F75-F145 HydrophobicContact CE1-CE1 3.89Å; F75-F145 AromaticContact CE1-CZ 3.49Å; F75-F145 HydrophobicContact CE1-CZ 3.49Å; F75-F145 VanDerWaalsContact CE1-CZ 3.49Å; F75-F145 AromaticContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CE2-CZ 3.78Å; F75-F145 HydrophobicContact CG-CE2 4.26Å; F75-F145 AromaticContact CG-CZ 3.82Å; F75-F145 HydrophobicContact CG-CZ 3.82Å; F75-F145 HydrophobicContact CZ-CE1 4.13Å; F75-F145 AromaticContact CZ-CZ 3.56Å; F75-F145 HydrophobicContact CZ-CZ 3.56Å; L78-F145 HydrophobicContact CB-CD2 4.09Å; L78-F145 HydrophobicContact CB-CE2 4.48Å; L78-F145 HydrophobicContact CB-CG 4.47Å; L78-F145 HydrophobicContact CD1-CB 4.2Å; L78-F145 HydrophobicContact CD2-CB 4.2Å; L78-F145 HydrophobicContact CD2-CD1 3.84Å; L78-F145 HydrophobicContact CD2-CD2 4.13Å; L78-F145 HydrophobicContact CD2-CE1 4.25Å; L78-F145 HydrophobicContact CD2-CG 3.78Å; L78-F145 HydrophobicContact CG-CG 4.5Å; I127-F145 HydrophobicContact CD1-CD1 3.93Å; I127-F145 HydrophobicContact CD1-CE1 3.8Å; I127-F145 HydrophobicContact CG1-CE1 4.26Å; C141-F145 VanDerWaalsContact O-CB 3.27Å; C141-F145 WeakPolarHBondContact O-CB 3.13Å; C141-F145 PolarHBondContact O-N 3.05Å; L142-F145 PolarHBondContact O-N 2.95Å; H143-F145 VanDerWaalsContact C-N 3.27Å; H143-F145 PolarHBondContact O-N 3Å; F145-I151 HydrophobicContact CD2-CD1 3.81Å; F145-I151 HydrophobicContact CE2-CD1 4.34Å
146L95.6Very high88.9Confident0 Ų053.6 Ų53.60%027%0.27CS..Hα-helixtrans-89.9-28.3-173.2-67.2175000114.7I32 V52 M54 F61 S66 I127 A131 L142 H143I32-L146 HydrophobicContact CD1-CD1 3.84Å; I32-L146 HydrophobicContact CD1-CD2 3.95Å; I32-L146 HydrophobicContact CG2-CD2 4.39Å; V52-L146 HydrophobicContact CG1-CD2 3.95Å; M54-L146 HydrophobicContact CG-CD1 4.43Å; F61-L146 HydrophobicContact CE1-CD1 4.04Å; F61-L146 HydrophobicContact CZ-CD1 4.47Å; S66-L146 PolarHBondContact OG-O 3.36Å; I127-L146 HydrophobicContact CD1-CD2 4.14Å; I127-L146 HydrophobicContact CG1-CD2 3.93Å; A131-L146 HydrophobicContact CB-CD1 4.31Å; L142-L146 HydrophobicContact CD1-CD1 3.72Å; L142-L146 HydrophobicContact CD1-CG 4.16Å; L142-L146 HydrophobicContact CG-CD1 3.93Å; L142-L146 WeakPolarHBondContact O-CG 3.35Å; L142-L146 PolarHBondContact O-N 3.06Å; H143-L146 PolarHBondContact O-N 2.86Å
147Q93Very high87.9Confident23 Ų2356 Ų5611%0.10729%0.285CS..Hα-helixtrans-116.2-29.7-168-61-173.9-27.900114.6M54 L63 H143M54-Q147 HydrophobicContact CE-CG 3.93Å; L63-Q147 HydrophobicContact CD1-CB 4.17Å; L63-Q147 PolarHBondContact O-NE2 3.46Å; H143-Q147 VanDerWaalsContact O-CB 3.31Å; H143-Q147 WeakPolarHBondContact O-CB 3.17Å; H143-Q147 PolarHBondContact O-N 2.74Å
148E93.3Very high86.5Confident65 Ų6557.8 Ų57.830%0.30431%0.312SS..SBendtrans-86.3147.2-178.1-61.6-176.8-159.500110.2V68 R70 R140 M144V68-E148 WeakPolarHBondContact CG1-O 3.2Å; R70-E148 PolarHBondContact NH2-O 3.07Å; R140-E148 IonicContact NH2-OE1 2.73Å; R140-E148 PolarHBondContact NH2-OE1 3.26Å; M144-E148 HydrophobicContact CG-CB 4.32Å; M144-E148 HydrophobicContact CG-CG 4.39Å; M144-E148 WeakPolarHBondContact O-CB 3.18Å; M144-E148 PolarHBondContact O-N 2.98Å
149E90.8Very high84.8Confident179 Ų17958.2 Ų58.284%0.83631%0.309SS*.SBendtrans-68.8-39-178.8-172.2174.7-176.800111.8R70R70-E149 PolarHBondContact NH1-O 3.48Å
150A89.8Confident82.9Confident72 Ų7258.8 Ų58.860%0.59532%0.318SS*.SBendtrans-120.4145.1179.500000111.2
151I89.4Confident80.9Confident29 Ų2957.1 Ų57.115%0.14931%0.312CS..  trans-87.6118.3174.9-62.9172.5000108.7D74 W77 M144 F145 R153D74-I151 HydrophobicContact CB-CD1 3.65Å; W77-I151 HydrophobicContact CD2-CG2 3.94Å; W77-I151 HydrophobicContact CE3-CD1 4.09Å; W77-I151 HydrophobicContact CE3-CG2 3.76Å; W77-I151 HydrophobicContact CH2-CG2 3.89Å; W77-I151 HydrophobicContact CZ2-CG2 4Å; W77-I151 HydrophobicContact CZ3-CD1 4.36Å; W77-I151 HydrophobicContact CZ3-CG2 3.75Å; M144-I151 HydrophobicContact CE-CG2 3.97Å; M144-I151 HydrophobicContact SD-CG2 4.49Å; F145-I151 HydrophobicContact CD2-CD1 3.81Å; F145-I151 HydrophobicContact CE2-CD1 4.34Å; I151-R153 PolarHBondContact O-N 3.45Å
152D87.8Confident78.7Confident77 Ų7759.9 Ų59.941%0.41233%0.331SS..  trans-74.9109.8170.6-177.68.7000110.4M144 N154 Y155M144-D152 HydrophobicContact SD-CB 3.87Å; M144-D152 PolarHBondContact SD-N 2.92Å; M144-D152 VanDerWaalsContact SD-N 3.41Å; D152-N154 VanDerWaalsContact C-N 3.27Å; D152-N154 PolarHBondContact O-N 3.23Å; D152-N154 PolarHBondContact OD1-N 3.18Å; D152-Y155 VanDerWaalsContact O-CB 3.24Å; D152-Y155 WeakPolarHBondContact O-CB 3.34Å; D152-Y155 PolarHBondContact O-N 2.91Å
153R84.9Confident76.2Confident170 Ų17066.7 Ų66.764%0.64236%0.363SS*.THydrogen-bonded Turntrans-75.3-15.2179.2-63.7-169.1-175.7167.59.6113.8I151I151-R153 PolarHBondContact O-N 3.45Å
154N81.9Confident73.8Confident140 Ų14069.3 Ų69.375%0.74938%0.382SS*.THydrogen-bonded Turntrans-93.214.6175.4-63.9-21000111.5D152 V156D152-N154 VanDerWaalsContact C-N 3.27Å; D152-N154 PolarHBondContact O-N 3.23Å; D152-N154 PolarHBondContact OD1-N 3.18Å; N154-V156 PolarHBondContact O-N 3.12Å
155Y76.4Confident71.5Confident22 Ų2270.8 Ų70.89%0.08639%0.392CS..PPolyproline II helixtrans-54.7133.4174.7167.8-118000111.4E81 R140 C141 M144 D152 P157E81-Y155 WeakPolarHBondContact OE1-CD1 3.26Å; R140-Y155 HydrophobicContact CB-CE2 4.3Å; R140-Y155 WeakPolarHBondContact CB-OH 3.36Å; R140-Y155 HydrophobicContact CG-CE2 4.04Å; C141-Y155 HydrophobicContact CB-CE1 4.45Å; M144-Y155 HydrophobicContact CE-CD1 4.16Å; M144-Y155 HydrophobicContact CE-CG 4Å; D152-Y155 VanDerWaalsContact O-CB 3.24Å; D152-Y155 WeakPolarHBondContact O-CB 3.34Å; D152-Y155 PolarHBondContact O-N 2.91Å; Y155-P157 HydrophobicContact CE1-CG 4.41Å
156V73.1Confident69.1Low97 Ų9776.6 Ų76.659%0.58843%0.429SS*.PPolyproline II helixtrans-98.8116.1174.6-178.60000109.5N154N154-V156 PolarHBondContact O-N 3.12Å
157P69.8Low66.8Low49 Ų4980 Ų8032%0.31847%0.465SS..THydrogen-bonded Turntrans-57.9151.7174.5-2535000113.4D85 Y155D85-P157 WeakPolarHBondContact OD2-CB 3.31Å; D85-P157 WeakPolarHBondContact OD2-CG 3.11Å; Y155-P157 HydrophobicContact CE1-CG 4.41Å
158G59.5Low64.6Low69 Ų6983.4 Ų83.471%0.71148%0.477SS*.THydrogen-bonded Turntrans93.3-0.3168.600000116.4S160G158-S160 PolarHBondContact O-N 3.5Å
159K52.8Low62.3Low114 Ų11485.4 Ų85.450%0.49650%0.497SS..  trans-74.496.3160.7-70.9-171.4-178.9179.20108.1
160S49.4Very low59.8Low56 Ų5681.1 Ų81.139%0.39249%0.493SS..  trans-50.5144.6171.4590000109.4G158 S162 Q163G158-S160 PolarHBondContact O-N 3.5Å; S160-S162 PolarHBondContact O-N 2.95Å; S160-S162 PolarHBondContact OG-OG 3.25Å; S160-Q163 PolarHBondContact O-N 3.34Å
161F45.6Very low57.5Low28 Ų2884.4 Ų84.412%0.12351%0.505CS..Hα-helixtrans-52.6-29.7-178.5-160.5-68.6000112.3K62 Q163 C164 C165 W168K62-F161 HydrophobicContact CD-CZ 4.01Å; K62-F161 HydrophobicContact CG-CE1 4.43Å; K62-F161 HydrophobicContact CG-CE2 4.24Å; K62-F161 HydrophobicContact CG-CZ 3.52Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-Q163 PolarHBondContact O-N 3.26Å; F161-C164 PolarHBondContact O-N 3.37Å; F161-C165 HydrophobicContact CD1-CB 4.04Å; F161-C165 HydrophobicContact CE1-CB 3.97Å; F161-C165 PolarHBondContact O-N 3.04Å; F161-W168 HydrophobicContact CB-CE3 3.83Å; F161-W168 HydrophobicContact CB-CZ3 3.5Å; F161-W168 VanDerWaalsContact CB-CZ3 3.5Å; F161-W168 AromaticContact CD1-CD2 3.52Å; F161-W168 HydrophobicContact CD1-CD2 3.52Å; F161-W168 AromaticContact CD1-CE3 2.86Å; F161-W168 HydrophobicContact CD1-CE3 2.86Å; F161-W168 HydrophobicContact CD1-CG 4.4Å; F161-W168 AromaticContact CD1-CH2 3.46Å; F161-W168 HydrophobicContact CD1-CH2 3.46Å; F161-W168 VanDerWaalsContact CD1-CH2 3.46Å; F161-W168 HydrophobicContact CD1-CZ2 4.08Å; F161-W168 AromaticContact CD1-CZ3 2.87Å; F161-W168 HydrophobicContact CD1-CZ3 2.87Å; F161-W168 HydrophobicContact CD2-CE3 4.29Å; F161-W168 AromaticContact CD2-CH2 3.61Å; F161-W168 HydrophobicContact CD2-CH2 3.61Å; F161-W168 AromaticContact CD2-CZ3 3.42Å; F161-W168 HydrophobicContact CD2-CZ3 3.42Å; F161-W168 VanDerWaalsContact CD2-CZ3 3.42Å; F161-W168 AromaticContact CE1-CD2 3.37Å; F161-W168 HydrophobicContact CE1-CD2 3.37Å; F161-W168 AromaticContact CE1-CE2 3.51Å; F161-W168 AromaticContact CE1-CE3 3.18Å; F161-W168 HydrophobicContact CE1-CE3 3.18Å; F161-W168 HydrophobicContact CE1-CG 4.24Å; F161-W168 AromaticContact CE1-CH2 3.12Å; F161-W168 HydrophobicContact CE1-CH2 3.12Å; F161-W168 AromaticContact CE1-CZ2 3.37Å; F161-W168 HydrophobicContact CE1-CZ2 3.37Å; F161-W168 AromaticContact CE1-CZ3 3.09Å; F161-W168 HydrophobicContact CE1-CZ3 3.09Å; F161-W168 AromaticContact CE2-CH2 3.31Å; F161-W168 HydrophobicContact CE2-CH2 3.31Å; F161-W168 HydrophobicContact CE2-CZ2 4.09Å; F161-W168 AromaticContact CE2-CZ3 3.64Å; F161-W168 HydrophobicContact CE2-CZ3 3.64Å; F161-W168 HydrophobicContact CG-CD2 4.45Å; F161-W168 AromaticContact CG-CE3 3.45Å; F161-W168 HydrophobicContact CG-CE3 3.45Å; F161-W168 VanDerWaalsContact CG-CE3 3.45Å; F161-W168 AromaticContact CG-CH2 3.64Å; F161-W168 HydrophobicContact CG-CH2 3.64Å; F161-W168 AromaticContact CG-CZ3 2.99Å; F161-W168 HydrophobicContact CG-CZ3 2.99Å; F161-W168 HydrophobicContact CZ-CD2 4.24Å; F161-W168 AromaticContact CZ-CE2 3.98Å; F161-W168 HydrophobicContact CZ-CE3 4Å; F161-W168 AromaticContact CZ-CH2 2.99Å; F161-W168 HydrophobicContact CZ-CH2 2.99Å; F161-W168 AromaticContact CZ-CZ2 3.33Å; F161-W168 HydrophobicContact CZ-CZ2 3.33Å; F161-W168 AromaticContact CZ-CZ3 3.44Å; F161-W168 HydrophobicContact CZ-CZ3 3.44Å; F161-W168 VanDerWaalsContact CZ-CZ3 3.44Å
162S44.5Very low54.9Low60 Ų6091.2 Ų91.242%0.4257%0.565SS.*Hα-helixtrans-61.3-29.2173.754.70000115.4S160S160-S162 PolarHBondContact O-N 2.95Å; S160-S162 PolarHBondContact OG-OG 3.25Å
163Q42.1Very low53.2Low144 Ų14491.9 Ų91.967%0.67357%0.573SS**Hα-helixtrans-83.8-24.1-179.7-76.4-175.7-2.400113.6S160 F161S160-Q163 PolarHBondContact O-N 3.34Å; F161-Q163 VanDerWaalsContact C-N 3.34Å; F161-Q163 PolarHBondContact O-N 3.26Å
164C41.8Very low51.6Low62 Ų6287.8 Ų87.842%0.41957%0.57SS.*Hα-helixtrans-97.8-13.5179.7-720000113.3F161F161-C164 PolarHBondContact O-N 3.37Å
165C43.4Very low49.9Very low31 Ų3184.9 Ų84.921%0.20956%0.56CS.*  trans-135.891.9179.5-71.20000109.7K62 F161 G167 W168K62-C165 VanDerWaalsContact CE-SG 3.53Å; K62-C165 PolarHBondContact NZ-SG 2.95Å; F161-C165 HydrophobicContact CD1-CB 4.04Å; F161-C165 HydrophobicContact CE1-CB 3.97Å; F161-C165 PolarHBondContact O-N 3.04Å; C165-G167 PolarHBondContact O-N 3.11Å; C165-W168 PolarHBondContact O-N 3.18Å
166P45.5Very low48.3Very low121 Ų12188.6 Ų88.679%0.78659%0.587SS**G310 helixtrans-64.2-6.4-174.823.2-32.6000114.9W168P166-W168 VanDerWaalsContact C-N 3.33Å; P166-W168 PolarHBondContact O-N 3.21Å
167G46.9Very low46.8Very low72 Ų7288.1 Ų88.174%0.74259%0.587SS**G310 helixtrans-82.31.9177.200000115.8C165C165-G167 PolarHBondContact O-N 3.11Å
168W47.7Very low45.3Very low95 Ų9590.7 Ų90.736%0.3661%0.605SS.*G310 helixtrans-107.22.4-172.1-110.318.4000116.1P59 I60 F161 C165 P166 A170P59-W168 VanDerWaalsContact O-CZ2 3.3Å; P59-W168 WeakPolarHBondContact O-CZ2 3.29Å; I60-W168 HydrophobicContact CB-CH2 4.4Å; I60-W168 HydrophobicContact CG1-CH2 3.95Å; I60-W168 WeakPolarHBondContact O-CH2 3.25Å; I60-W168 WeakPolarHBondContact O-CZ2 3.26Å; F161-W168 HydrophobicContact CB-CE3 3.83Å; F161-W168 HydrophobicContact CB-CZ3 3.5Å; F161-W168 VanDerWaalsContact CB-CZ3 3.5Å; F161-W168 AromaticContact CD1-CD2 3.52Å; F161-W168 HydrophobicContact CD1-CD2 3.52Å; F161-W168 AromaticContact CD1-CE3 2.86Å; F161-W168 HydrophobicContact CD1-CE3 2.86Å; F161-W168 HydrophobicContact CD1-CG 4.4Å; F161-W168 AromaticContact CD1-CH2 3.46Å; F161-W168 HydrophobicContact CD1-CH2 3.46Å; F161-W168 VanDerWaalsContact CD1-CH2 3.46Å; F161-W168 HydrophobicContact CD1-CZ2 4.08Å; F161-W168 AromaticContact CD1-CZ3 2.87Å; F161-W168 HydrophobicContact CD1-CZ3 2.87Å; F161-W168 HydrophobicContact CD2-CE3 4.29Å; F161-W168 AromaticContact CD2-CH2 3.61Å; F161-W168 HydrophobicContact CD2-CH2 3.61Å; F161-W168 AromaticContact CD2-CZ3 3.42Å; F161-W168 HydrophobicContact CD2-CZ3 3.42Å; F161-W168 VanDerWaalsContact CD2-CZ3 3.42Å; F161-W168 AromaticContact CE1-CD2 3.37Å; F161-W168 HydrophobicContact CE1-CD2 3.37Å; F161-W168 AromaticContact CE1-CE2 3.51Å; F161-W168 AromaticContact CE1-CE3 3.18Å; F161-W168 HydrophobicContact CE1-CE3 3.18Å; F161-W168 HydrophobicContact CE1-CG 4.24Å; F161-W168 AromaticContact CE1-CH2 3.12Å; F161-W168 HydrophobicContact CE1-CH2 3.12Å; F161-W168 AromaticContact CE1-CZ2 3.37Å; F161-W168 HydrophobicContact CE1-CZ2 3.37Å; F161-W168 AromaticContact CE1-CZ3 3.09Å; F161-W168 HydrophobicContact CE1-CZ3 3.09Å; F161-W168 AromaticContact CE2-CH2 3.31Å; F161-W168 HydrophobicContact CE2-CH2 3.31Å; F161-W168 HydrophobicContact CE2-CZ2 4.09Å; F161-W168 AromaticContact CE2-CZ3 3.64Å; F161-W168 HydrophobicContact CE2-CZ3 3.64Å; F161-W168 HydrophobicContact CG-CD2 4.45Å; F161-W168 AromaticContact CG-CE3 3.45Å; F161-W168 HydrophobicContact CG-CE3 3.45Å; F161-W168 VanDerWaalsContact CG-CE3 3.45Å; F161-W168 AromaticContact CG-CH2 3.64Å; F161-W168 HydrophobicContact CG-CH2 3.64Å; F161-W168 AromaticContact CG-CZ3 2.99Å; F161-W168 HydrophobicContact CG-CZ3 2.99Å; F161-W168 HydrophobicContact CZ-CD2 4.24Å; F161-W168 AromaticContact CZ-CE2 3.98Å; F161-W168 HydrophobicContact CZ-CE3 4Å; F161-W168 AromaticContact CZ-CH2 2.99Å; F161-W168 HydrophobicContact CZ-CH2 2.99Å; F161-W168 AromaticContact CZ-CZ2 3.33Å; F161-W168 HydrophobicContact CZ-CZ2 3.33Å; F161-W168 AromaticContact CZ-CZ3 3.44Å; F161-W168 HydrophobicContact CZ-CZ3 3.44Å; F161-W168 VanDerWaalsContact CZ-CZ3 3.44Å; C165-W168 PolarHBondContact O-N 3.18Å; P166-W168 VanDerWaalsContact C-N 3.33Å; P166-W168 PolarHBondContact O-N 3.21Å; W168-A170 PolarHBondContact O-N 3.18Å
169S44.9Very low44.2Very low106 Ų10692.2 Ų92.274%0.74160%0.598SS**THydrogen-bonded Turntrans-70.46.1177.3-77.50000115.1
170A38.8Very low43.6Very low89 Ų8990.5 Ų90.574%0.73661%0.606SS**THydrogen-bonded Turntrans-108.414.6-168.300000116W168W168-A170 PolarHBondContact O-N 3.18Å
171V42Very low43.1Very low142 Ų14293.4 Ų93.486%0.86162%0.624SS**  trans-135.146.6179.2-156.10000112.7
172A33.9Very low42.9Very low171 Ų17199.4 Ų99.4100%1.41367%0.669SS**  trans-123.30163.600000109.4

Retrieved 172 of 172 residues in 367.5 ms (Link to these results)

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