A0A096NYP8_PAPAN Loading...

Calcium and integrin binding family member 4

AlphaFold DB (A0A2K5M8F7), UniProt , Accession A0A096NYP8, Species PAPAN (Papio anubis, Olive baboon), Gene CIB4, Length 185 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
1M41.9Very low55.5Low254 Ų254138.2 Ų138.2100%1.25168%0.681SS**  01290-70.4-176.8-14200107.6
2G38.4Very low58.1Low78 Ų78136.6 Ų136.680%0.80467%0.671SS**  trans133.356.1-179.400000112.7C4G2-C4 PolarHBondContact O-N 3.11Å
3Q43.3Very low60.3Low173 Ų173127.2 Ų127.281%0.80863%0.626SS**  trans-65.2122.5165.9-78.1176.1-7.600108.6L5Q3-L5 HydrophobicContact CB-CD1 4.5Å
4C33.2Very low62.3Low102 Ų102120 Ų12069%0.68959%0.591SS**  trans-106.286.6163.2-159.40000107.9G2 R6G2-C4 PolarHBondContact O-N 3.11Å; C4-R6 PolarHBondContact O-N 3.33Å
5L42.9Very low64.2Low151 Ų151118.2 Ų118.279%0.79158%0.58SS**THydrogen-bonded Turntrans-76.655.4178.4-82.6158.6000111.6Q3Q3-L5 HydrophobicContact CB-CD1 4.5Å
6R47.2Very low65.9Low204 Ų204117.3 Ų117.377%0.7757%0.574SS**THydrogen-bonded Turntrans-138-9.5178.1-131.5179.7-174-175.40.5116.7C4C4-R6 PolarHBondContact O-N 3.33Å
7Y53.1Low67.5Low112 Ų112111.1 Ų111.144%0.43954%0.543SS..  trans-143.6102.5-178.8-59.8-79.9000109.5M9 D33Y7-M9 VanDerWaalsContact C-N 3.29Å; Y7-M9 PolarHBondContact O-N 3.25Å; Y7-D33 HydrophobicContact CE1-CB 4.41Å
8Q67.2Low68.8Low144 Ų144108.5 Ų108.567%0.67353%0.53SS*.  trans-91.160.4174.1-75.8-176.4-23.600110.1Y44 Y45Q8-Y44 HydrophobicContact CB-CE2 4.42Å; Q8-Y44 WeakPolarHBondContact O-CE2 3.44Å; Q8-Y45 VanDerWaalsContact O-CE1 3.23Å; Q8-Y45 WeakPolarHBondContact O-CE1 3.46Å
9M78.8Confident69.9Low26 Ų26107.3 Ų107.313%0.12854%0.539CS..  trans-112.4126.3162.1179.3175.4-8500107.4Y7 D13 L14 Y17 I28 H32 Y45 F82Y7-M9 VanDerWaalsContact C-N 3.29Å; Y7-M9 PolarHBondContact O-N 3.25Å; M9-D13 HydrophobicContact CG-CB 4.08Å; M9-L14 HydrophobicContact CG-CB 4.49Å; M9-L14 HydrophobicContact SD-CB 4.13Å; M9-L14 HydrophobicContact SD-CD1 3.97Å; M9-Y17 HydrophobicContact CE-CD2 3.99Å; M9-Y17 HydrophobicContact CE-CE2 3.94Å; M9-Y17 HydrophobicContact SD-CD2 4.47Å; M9-I28 HydrophobicContact CE-CG2 4.19Å; M9-I28 HydrophobicContact SD-CG2 4.04Å; M9-H32 HydrophobicContact CE-CB 4.19Å; M9-Y45 HydrophobicContact CB-CE1 4.4Å; M9-Y45 HydrophobicContact CE-CE2 3.95Å; M9-F82 HydrophobicContact CE-CD1 4.43Å; M9-F82 HydrophobicContact CE-CE1 3.35Å; M9-F82 HydrophobicContact CE-CZ 3.49Å; M9-F82 VanDerWaalsContact CE-CZ 3.49Å
10H82.8Confident71Confident115 Ų115108.2 Ų108.253%0.53255%0.545SS..  trans-71.6149.8176.7-71.4-84.3000110E12 D13 L14H10-E12 PolarHBondContact O-N 3.23Å; H10-D13 IonicContact CD2-OD2 2.67Å; H10-D13 WeakPolarHBondContact O-CB 3.3Å; H10-D13 PolarHBondContact O-N 2.99Å; H10-L14 PolarHBondContact O-N 3.34Å
11W81.8Confident71.9Confident161 Ų161104.1 Ų104.161%0.6153%0.526SS*.Hα-helixtrans-62.2-33.8178.367.4-87.6000111.7L14 E15W11-L14 PolarHBondContact O-N 3Å; W11-E15 HydrophobicContact CE3-CG 4.43Å; W11-E15 WeakPolarHBondContact CZ3-OE2 3.47Å; W11-E15 WeakPolarHBondContact O-CG 3.39Å; W11-E15 PolarHBondContact O-N 3.3Å
12E86.4Confident74.3Confident119 Ų11995.2 Ų95.256%0.55648%0.48SS*.Hα-helixtrans-60.7-47.9174.9-63.4175.118000110.8H10 L14 E15 E16H10-E12 PolarHBondContact O-N 3.23Å; E12-L14 VanDerWaalsContact C-N 3.31Å; E12-L14 PolarHBondContact O-N 3.19Å; E12-E15 PolarHBondContact O-N 3.17Å; E12-E16 WeakPolarHBondContact O-CB 3.45Å; E12-E16 PolarHBondContact O-N 3.47Å
13D87.3Confident76.8Confident15 Ų1591.9 Ų91.98%0.0844%0.444CS..Hα-helixtrans-59.5-43.4175.5-62.5-33.2000111M9 H10 E15 E16 Y17 Y45 K46M9-D13 HydrophobicContact CG-CB 4.08Å; H10-D13 IonicContact CD2-OD2 2.67Å; H10-D13 WeakPolarHBondContact O-CB 3.3Å; H10-D13 PolarHBondContact O-N 2.99Å; D13-E15 PolarHBondContact O-N 2.74Å; D13-E16 PolarHBondContact O-N 3.45Å; D13-Y17 HydrophobicContact CB-CD2 4.29Å; D13-Y17 HydrophobicContact CB-CE2 3.95Å; D13-Y17 WeakPolarHBondContact O-CB 3.4Å; D13-Y17 WeakPolarHBondContact O-CD2 3.35Å; D13-Y17 VanDerWaalsContact O-CG 3.3Å; D13-Y17 PolarHBondContact O-N 3.19Å; D13-Y45 WeakPolarHBondContact CB-OH 3.27Å; D13-Y45 VanDerWaalsContact CG-OH 3.26Å; D13-Y45 PolarHBondContact OD2-OH 2.86Å; D13-K46 VanDerWaalsContact CG-NZ 3.32Å; D13-K46 IonicContact OD1-NZ 2.81Å; D13-K46 PolarHBondContact OD1-NZ 3.35Å; D13-K46 WeakPolarHBondContact OD2-CE 3.35Å; D13-K46 IonicContact OD2-NZ 3.32Å
14L88.2Confident79Confident26 Ų2686.1 Ų86.114%0.13642%0.42CS..Hα-helixtrans-64.2-40.7-179.9-177.464.9000112.1M9 H10 W11 E12 Q18 R25 I28 L29M9-L14 HydrophobicContact CG-CB 4.49Å; M9-L14 HydrophobicContact SD-CB 4.13Å; M9-L14 HydrophobicContact SD-CD1 3.97Å; H10-L14 PolarHBondContact O-N 3.34Å; W11-L14 PolarHBondContact O-N 3Å; E12-L14 VanDerWaalsContact C-N 3.31Å; E12-L14 PolarHBondContact O-N 3.19Å; L14-Q18 VanDerWaalsContact O-CB 3.28Å; L14-Q18 WeakPolarHBondContact O-CB 3.3Å; L14-Q18 PolarHBondContact O-N 3.43Å; L14-R25 HydrophobicContact CD1-CB 4.39Å; L14-R25 HydrophobicContact CD2-CB 4.31Å; L14-R25 HydrophobicContact CD2-CG 4.27Å; L14-R25 HydrophobicContact CG-CG 4.28Å; L14-I28 HydrophobicContact CD1-CB 3.86Å; L14-I28 HydrophobicContact CD1-CD1 4.29Å; L14-I28 HydrophobicContact CD1-CG2 3.63Å; L14-L29 HydrophobicContact CD1-CD2 4.4Å; L14-L29 HydrophobicContact CD1-CG 4.3Å
15E89.9Confident81.7Confident93 Ų9386.8 Ų86.844%0.43541%0.408SS..Hα-helixtrans-68.6-40.6176.1-73.8-171.6169.800111.9W11 E12 D13 Q18 A19 R25W11-E15 HydrophobicContact CE3-CG 4.43Å; W11-E15 WeakPolarHBondContact CZ3-OE2 3.47Å; W11-E15 WeakPolarHBondContact O-CG 3.39Å; W11-E15 PolarHBondContact O-N 3.3Å; E12-E15 PolarHBondContact O-N 3.17Å; D13-E15 PolarHBondContact O-N 2.74Å; E15-Q18 PolarHBondContact O-N 2.99Å; E15-A19 WeakPolarHBondContact O-CB 3.48Å; E15-A19 PolarHBondContact O-N 3.02Å; E15-R25 IonicContact OE1-NH2 3.57Å
16E91.6Very high83.9Confident104 Ų10485.7 Ų85.749%0.48640%0.403SS..Hα-helixtrans-60.9-52175.1-179.1173.4-159.900111.1E12 D13 Q18 A19 L20E12-E16 WeakPolarHBondContact O-CB 3.45Å; E12-E16 PolarHBondContact O-N 3.47Å; D13-E16 PolarHBondContact O-N 3.45Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.12Å; E16-A19 PolarHBondContact O-N 2.84Å; E16-L20 HydrophobicContact CG-CD1 3.69Å; E16-L20 HydrophobicContact CG-CG 4.39Å; E16-L20 WeakPolarHBondContact O-CB 3.26Å; E16-L20 VanDerWaalsContact O-CG 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.33Å; E16-L20 PolarHBondContact O-N 2.72Å
17Y92.9Very high85.9Confident12 Ų1279.1 Ų79.15%0.04738%0.381CS..Hα-helixtrans-61.5-37.3178.3-67.2-45.6000112.2M9 D13 A19 L20 T21 Y45 F82 E83 L86M9-Y17 HydrophobicContact CE-CD2 3.99Å; M9-Y17 HydrophobicContact CE-CE2 3.94Å; M9-Y17 HydrophobicContact SD-CD2 4.47Å; D13-Y17 HydrophobicContact CB-CD2 4.29Å; D13-Y17 HydrophobicContact CB-CE2 3.95Å; D13-Y17 WeakPolarHBondContact O-CB 3.4Å; D13-Y17 WeakPolarHBondContact O-CD2 3.35Å; D13-Y17 VanDerWaalsContact O-CG 3.3Å; D13-Y17 PolarHBondContact O-N 3.19Å; Y17-A19 VanDerWaalsContact C-N 3.32Å; Y17-A19 PolarHBondContact O-N 3.38Å; Y17-L20 PolarHBondContact O-N 3.34Å; Y17-T21 WeakPolarHBondContact O-CB 3.37Å; Y17-T21 WeakPolarHBondContact O-CG2 3.23Å; Y17-T21 PolarHBondContact O-N 3.32Å; Y17-T21 PolarHBondContact O-OG1 2.86Å; Y17-Y45 HydrophobicContact CE2-CE2 4.22Å; Y17-F82 HydrophobicContact CD2-CE1 4.06Å; Y17-F82 HydrophobicContact CE2-CD1 4.11Å; Y17-F82 AromaticContact CE2-CE1 3.69Å; Y17-F82 HydrophobicContact CE2-CE1 3.69Å; Y17-E83 HydrophobicContact CE1-CG 3.98Å; Y17-L86 HydrophobicContact CD1-CD1 3.53Å; Y17-L86 HydrophobicContact CD2-CD1 3.96Å; Y17-L86 HydrophobicContact CE1-CD1 3.94Å; Y17-L86 HydrophobicContact CE2-CD1 4.32Å; Y17-L86 HydrophobicContact CG-CD1 3.56Å
18Q91.4Very high87.7Confident64 Ų6473.8 Ų73.830%0.29936%0.36SS..Hα-helixtrans-66.6-34174.8-171.6-178.13.800112.4L14 E15 E16 I28L14-Q18 VanDerWaalsContact O-CB 3.28Å; L14-Q18 WeakPolarHBondContact O-CB 3.3Å; L14-Q18 PolarHBondContact O-N 3.43Å; E15-Q18 PolarHBondContact O-N 2.99Å; E16-Q18 VanDerWaalsContact C-N 3.28Å; E16-Q18 PolarHBondContact O-N 3.12Å; Q18-I28 HydrophobicContact CB-CD1 3.94Å
19A90.3Very high88.8Confident85 Ų8569.9 Ų69.970%0.70234%0.344SS*.Hα-helixtrans-75.8-27.8177.900000112.9E15 E16 Y17E15-A19 WeakPolarHBondContact O-CB 3.48Å; E15-A19 PolarHBondContact O-N 3.02Å; E16-A19 PolarHBondContact O-N 2.84Å; Y17-A19 VanDerWaalsContact C-N 3.32Å; Y17-A19 PolarHBondContact O-N 3.38Å
20L90.4Very high89.3Confident126 Ų12669.3 Ų69.366%0.6634%0.342SS*.Hα-helixtrans-97.4-9.4-175.7-63.7177.5000114.1E16 Y17E16-L20 HydrophobicContact CG-CD1 3.69Å; E16-L20 HydrophobicContact CG-CG 4.39Å; E16-L20 WeakPolarHBondContact O-CB 3.26Å; E16-L20 VanDerWaalsContact O-CG 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.33Å; E16-L20 PolarHBondContact O-N 2.72Å; Y17-L20 PolarHBondContact O-N 3.34Å
21T91.7Very high89.6Confident23 Ų2363.9 Ų63.914%0.14132%0.317CS..SBendtrans-127.7164.1-177.868.70000111.7Y17 L23 S90Y17-T21 WeakPolarHBondContact O-CB 3.37Å; Y17-T21 WeakPolarHBondContact O-CG2 3.23Å; Y17-T21 PolarHBondContact O-N 3.32Å; Y17-T21 PolarHBondContact O-OG1 2.86Å; T21-L23 PolarHBondContact O-N 3.45Å; T21-L23 WeakPolarHBondContact OG1-CB 3.31Å; T21-S90 WeakPolarHBondContact CB-OG 3.29Å
22F90.7Very high90Very high67 Ų6756.2 Ų56.229%0.29429%0.288SS..SBendtrans-87.833.9174.9-58.8-77.3000112S90 S93 Q95 A96 L100F22-S90 WeakPolarHBondContact CD2-OG 3.29Å; F22-S90 PolarHBondContact N-OG 3.4Å; F22-S93 PolarHBondContact O-OG 2.9Å; F22-Q95 HydrophobicContact CB-CB 4.06Å; F22-Q95 WeakPolarHBondContact CD1-O 3.47Å; F22-A96 HydrophobicContact CB-CB 4.27Å; F22-A96 HydrophobicContact CD2-CB 3.78Å; F22-A96 HydrophobicContact CE2-CB 4.37Å; F22-A96 HydrophobicContact CG-CB 4.03Å; F22-L100 HydrophobicContact CD2-CD2 4.07Å; F22-L100 HydrophobicContact CE2-CD2 3.48Å; F22-L100 VanDerWaalsContact CE2-CD2 3.48Å; F22-L100 HydrophobicContact CZ-CD2 4.46Å
23L90.8Very high90.1Very high8 Ų852.8 Ų52.84%0.04227%0.273CS..  trans-117144.8-173.2-58.5171.2000111T21 E27 I28 I31 L86 A89T21-L23 PolarHBondContact O-N 3.45Å; T21-L23 WeakPolarHBondContact OG1-CB 3.31Å; L23-E27 HydrophobicContact CB-CB 4.31Å; L23-E27 HydrophobicContact CD2-CB 4.37Å; L23-I28 HydrophobicContact CB-CD1 4.32Å; L23-I28 HydrophobicContact CB-CG1 3.87Å; L23-I28 HydrophobicContact CD1-CG1 4.38Å; L23-I31 HydrophobicContact CD1-CD1 3.66Å; L23-L86 HydrophobicContact CD1-CD2 3.91Å; L23-A89 HydrophobicContact CD1-CB 4.09Å; L23-A89 HydrophobicContact CD2-CB 4.33Å
24T90.9Very high90.1Very high51 Ų5153.5 Ų53.531%0.31328%0.278SS..  trans-78.7160.9171.766.40000111.2N26 E27 I28T24-N26 PolarHBondContact O-N 2.8Å; T24-E27 WeakPolarHBondContact CB-OE2 3.19Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.37Å; T24-E27 PolarHBondContact N-OE2 3.29Å; T24-E27 PolarHBondContact O-N 3.5Å; T24-E27 VanDerWaalsContact O-N 3.11Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-N 2.85Å; T24-E27 PolarHBondContact OG1-OE2 3.38Å; T24-I28 WeakPolarHBondContact O-CG1 3.37Å; T24-I28 PolarHBondContact O-N 3.29Å
25R89.7Confident90.1Very high117 Ų11752.3 Ų52.344%0.44227%0.272SS..Hα-helixtrans-52.8-40.2174.4-64.8-172.6174.3102.9-0.4112.7L14 E15 I28 L29L14-R25 HydrophobicContact CD1-CB 4.39Å; L14-R25 HydrophobicContact CD2-CB 4.31Å; L14-R25 HydrophobicContact CD2-CG 4.27Å; L14-R25 HydrophobicContact CG-CG 4.28Å; E15-R25 IonicContact OE1-NH2 3.57Å; R25-I28 PolarHBondContact O-N 3.36Å; R25-L29 VanDerWaalsContact O-CG 3.28Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.21Å
26N88.7Confident90Very high128 Ų12850.8 Ų50.868%0.68427%0.266SS*.Hα-helixtrans-67.7-40.7-178.9-69.9-18.1000111.6T24 L29 C30T24-N26 PolarHBondContact O-N 2.8Å; N26-L29 PolarHBondContact O-N 3.01Å; N26-C30 WeakPolarHBondContact O-CB 3.38Å; N26-C30 PolarHBondContact O-N 3.36Å
27E90.2Very high89.8Confident65 Ų6553 Ų5330%0.30427%0.274SS..Hα-helixtrans-63.7-45.9175.2-71.8164.1128.400110.9L23 T24 L29 C30 I31L23-E27 HydrophobicContact CB-CB 4.31Å; L23-E27 HydrophobicContact CD2-CB 4.37Å; T24-E27 WeakPolarHBondContact CB-OE2 3.19Å; T24-E27 WeakPolarHBondContact CG2-OE2 3.37Å; T24-E27 PolarHBondContact N-OE2 3.29Å; T24-E27 PolarHBondContact O-N 3.5Å; T24-E27 VanDerWaalsContact O-N 3.11Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-N 2.85Å; T24-E27 PolarHBondContact OG1-OE2 3.38Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 2.99Å; E27-C30 WeakPolarHBondContact O-CB 3.3Å; E27-C30 PolarHBondContact O-N 2.87Å; E27-C30 VanDerWaalsContact O-N 3.13Å; E27-I31 WeakPolarHBondContact O-CG1 3.47Å; E27-I31 PolarHBondContact O-N 2.87Å
28I91Very high89.5Confident0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-59.2-43.7178.1-63.4164.1000111.1M9 L14 Q18 L23 T24 R25 I31 H32 L86M9-I28 HydrophobicContact CE-CG2 4.19Å; M9-I28 HydrophobicContact SD-CG2 4.04Å; L14-I28 HydrophobicContact CD1-CB 3.86Å; L14-I28 HydrophobicContact CD1-CD1 4.29Å; L14-I28 HydrophobicContact CD1-CG2 3.63Å; Q18-I28 HydrophobicContact CB-CD1 3.94Å; L23-I28 HydrophobicContact CB-CD1 4.32Å; L23-I28 HydrophobicContact CB-CG1 3.87Å; L23-I28 HydrophobicContact CD1-CG1 4.38Å; T24-I28 WeakPolarHBondContact O-CG1 3.37Å; T24-I28 PolarHBondContact O-N 3.29Å; R25-I28 PolarHBondContact O-N 3.36Å; I28-I31 PolarHBondContact O-N 3.4Å; I28-H32 WeakPolarHBondContact O-CB 3.4Å; I28-H32 PolarHBondContact O-N 3.07Å; I28-L86 HydrophobicContact CG1-CD2 4.27Å; I28-L86 HydrophobicContact CG2-CD2 4.22Å
29L89.3Confident89.1Confident63 Ų6351.8 Ų51.833%0.3327%0.272SS..Hα-helixtrans-65.6-38.8176.4-69.6173.8000112.4L14 R25 N26 E27 H32 D33L14-L29 HydrophobicContact CD1-CD2 4.4Å; L14-L29 HydrophobicContact CD1-CG 4.3Å; R25-L29 VanDerWaalsContact O-CG 3.28Å; R25-L29 WeakPolarHBondContact O-CG 3.36Å; R25-L29 PolarHBondContact O-N 3.21Å; N26-L29 PolarHBondContact O-N 3.01Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 2.99Å; L29-H32 PolarHBondContact O-N 3.25Å; L29-D33 PolarHBondContact O-N 3.18Å
30C89.1Confident88.4Confident14 Ų1451.2 Ų51.210%0.09526%0.26CS..Hα-helixtrans-64.8-40.1175.6-1770000111.7N26 E27 T34 C185N26-C30 WeakPolarHBondContact O-CB 3.38Å; N26-C30 PolarHBondContact O-N 3.36Å; E27-C30 WeakPolarHBondContact O-CB 3.3Å; E27-C30 PolarHBondContact O-N 2.87Å; E27-C30 VanDerWaalsContact O-N 3.13Å; C30-T34 PolarHBondContact O-N 2.76Å; C30-T34 PolarHBondContact O-OG1 3.16Å; C30-C185 HydrophobicContact CB-CB 4.01Å; C30-C185 WeakPolarHBondContact CB-SG 3.49Å; C30-C185 WeakPolarHBondContact SG-CB 3.44Å; C30-C185 CovalentContact SG-SG 2.05Å; C30-C185 PolarHBondContact SG-SG 2.82Å
31I90.1Very high87.6Confident0 Ų051.5 Ų51.50%027%0.27CS..Hα-helixtrans-64.1-47.5174.6-65.8165.4000110.2L23 E27 I28 D33 T34 F35 F82 V85 L86 A89 W183L23-I31 HydrophobicContact CD1-CD1 3.66Å; E27-I31 WeakPolarHBondContact O-CG1 3.47Å; E27-I31 PolarHBondContact O-N 2.87Å; I28-I31 PolarHBondContact O-N 3.4Å; I31-D33 PolarHBondContact O-N 3Å; I31-T34 PolarHBondContact O-N 3.03Å; I31-F35 VanDerWaalsContact O-CB 3.26Å; I31-F35 WeakPolarHBondContact O-CB 3.5Å; I31-F35 PolarHBondContact O-N 3.36Å; I31-F82 HydrophobicContact CG2-CE2 3.97Å; I31-V85 HydrophobicContact CG2-CG1 3.75Å; I31-L86 HydrophobicContact CB-CD2 4.22Å; I31-L86 HydrophobicContact CD1-CD2 3.77Å; I31-L86 HydrophobicContact CG2-CD2 3.95Å; I31-A89 HydrophobicContact CD1-CB 3.59Å; I31-W183 HydrophobicContact CG1-CD2 3.79Å; I31-W183 VanDerWaalsContact CG1-CE2 3.46Å; I31-W183 HydrophobicContact CG1-CG 3.85Å; I31-W183 HydrophobicContact CG1-CZ2 4.04Å; I31-W183 VanDerWaalsContact CG1-NE1 3.25Å; I31-W183 HydrophobicContact CG2-CH2 4.45Å; I31-W183 HydrophobicContact CG2-CZ2 4.13Å
32H89.9Confident86.6Confident1 Ų154.6 Ų54.61%0.00531%0.307CS..Hα-helixtrans-58.1-45.5177.8173.4-89.8000112.3M9 I28 L29 F35 L36 Y45 F82M9-H32 HydrophobicContact CE-CB 4.19Å; I28-H32 WeakPolarHBondContact O-CB 3.4Å; I28-H32 PolarHBondContact O-N 3.07Å; L29-H32 PolarHBondContact O-N 3.25Å; H32-F35 PolarHBondContact O-N 3.09Å; H32-L36 WeakPolarHBondContact CE1-CD1 3.28Å; H32-L36 WeakPolarHBondContact O-CG 3.39Å; H32-L36 PolarHBondContact O-N 2.98Å; H32-Y45 AromaticContact CD2-CD1 3.9Å; H32-Y45 AromaticContact CD2-CG 3.73Å; H32-Y45 AromaticContact NE2-CD1 3.54Å; H32-Y45 AromaticContact NE2-CG 3.76Å; H32-F82 HydrophobicContact CB-CE2 3.9Å; H32-F82 HydrophobicContact CB-CZ 3.91Å
33D87.9Confident85.8Confident46 Ų4656.8 Ų56.825%0.24632%0.316CS..Hα-helixtrans-63.3-43.1177.3-17477.4000111.9Y7 L29 I31 K37Y7-D33 HydrophobicContact CE1-CB 4.41Å; L29-D33 PolarHBondContact O-N 3.18Å; I31-D33 PolarHBondContact O-N 3Å; D33-K37 WeakPolarHBondContact O-CG 3.4Å; D33-K37 PolarHBondContact O-N 2.91Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 WeakPolarHBondContact OD2-CE 3.47Å; D33-K37 IonicContact OD2-NZ 4Å; D33-K37 PolarHBondContact OD2-NZ 2.99Å
34T86.9Confident85.4Confident30 Ų3059.5 Ų59.518%0.18433%0.326CS..Hα-helixtrans-65.8-42.1176.2-53.70000112.4C30 I31 L36 K37 L38 L58 W183C30-T34 PolarHBondContact O-N 2.76Å; C30-T34 PolarHBondContact O-OG1 3.16Å; I31-T34 PolarHBondContact O-N 3.03Å; T34-L36 PolarHBondContact O-N 3.1Å; T34-K37 WeakPolarHBondContact O-CB 3.35Å; T34-K37 PolarHBondContact O-N 3.21Å; T34-L38 HydrophobicContact CG2-CD1 4.35Å; T34-L38 WeakPolarHBondContact O-CG 3.34Å; T34-L38 PolarHBondContact O-N 3.31Å; T34-L58 HydrophobicContact CG2-CD2 3.98Å; T34-W183 HydrophobicContact CG2-CE3 3.79Å; T34-W183 HydrophobicContact CG2-CZ3 3.5Å; T34-W183 VanDerWaalsContact CG2-CZ3 3.5Å
35F89Confident85Confident2 Ų257.1 Ų57.11%0.00931%0.312CS..Hα-helixtrans-59-48.6177.6-175.5-93.5000110.8I31 H32 K37 L38 C39 A48 L50 F82 V85I31-F35 VanDerWaalsContact O-CB 3.26Å; I31-F35 WeakPolarHBondContact O-CB 3.5Å; I31-F35 PolarHBondContact O-N 3.36Å; H32-F35 PolarHBondContact O-N 3.09Å; F35-K37 VanDerWaalsContact C-N 3.31Å; F35-K37 PolarHBondContact O-N 2.95Å; F35-L38 PolarHBondContact O-N 2.89Å; F35-L38 VanDerWaalsContact O-N 3.08Å; F35-C39 WeakPolarHBondContact CE1-SG 3.31Å; F35-C39 PolarHBondContact O-N 3.44Å; F35-C39 PolarHBondContact O-SG 3.19Å; F35-A48 HydrophobicContact CE1-CB 3.97Å; F35-A48 HydrophobicContact CZ-CB 4.48Å; F35-L50 HydrophobicContact CD2-CD1 3.41Å; F35-L50 VanDerWaalsContact CD2-CD1 3.41Å; F35-L50 HydrophobicContact CD2-CG 3.91Å; F35-L50 HydrophobicContact CE2-CD1 3.59Å; F35-L50 HydrophobicContact CE2-CG 3.58Å; F35-L50 HydrophobicContact CG-CD1 4.25Å; F35-L50 HydrophobicContact CZ-CG 4.14Å; F35-F82 HydrophobicContact CB-CD2 4.1Å; F35-F82 HydrophobicContact CB-CE2 4.38Å; F35-F82 HydrophobicContact CD1-CB 4.47Å; F35-F82 AromaticContact CD1-CD2 4Å; F35-F82 HydrophobicContact CD1-CD2 4Å; F35-F82 HydrophobicContact CD2-CD2 4.13Å; F35-F82 HydrophobicContact CE1-CB 4.08Å; F35-F82 HydrophobicContact CE1-CD2 4.44Å; F35-F82 HydrophobicContact CE2-CB 4.3Å; F35-F82 AromaticContact CG-CD2 3.83Å; F35-F82 HydrophobicContact CG-CD2 3.83Å; F35-F82 HydrophobicContact CZ-CB 4Å; F35-V85 HydrophobicContact CD2-CB 4.34Å; F35-V85 HydrophobicContact CD2-CG2 3.89Å; F35-V85 HydrophobicContact CE2-CG2 3.96Å
36L87.6Confident84.8Confident60 Ų6055.9 Ų55.931%0.31431%0.309SS..Hα-helixtrans-63.9-32.4177.5-72.1-177000113.6H32 T34 L38 C39H32-L36 WeakPolarHBondContact CE1-CD1 3.28Å; H32-L36 WeakPolarHBondContact O-CG 3.39Å; H32-L36 PolarHBondContact O-N 2.98Å; T34-L36 PolarHBondContact O-N 3.1Å; L36-L38 VanDerWaalsContact C-N 3.27Å; L36-L38 PolarHBondContact O-N 3.49Å; L36-C39 PolarHBondContact O-N 2.9Å
37K87.1Confident84.6Confident150 Ų15056.9 Ų56.965%0.65231%0.31SS*.Hα-helixtrans-66-30.2173.7-76.8166174.3163.60112.8D33 T34 F35D33-K37 WeakPolarHBondContact O-CG 3.4Å; D33-K37 PolarHBondContact O-N 2.91Å; D33-K37 VanDerWaalsContact O-N 3.1Å; D33-K37 WeakPolarHBondContact OD2-CE 3.47Å; D33-K37 IonicContact OD2-NZ 4Å; D33-K37 PolarHBondContact OD2-NZ 2.99Å; T34-K37 WeakPolarHBondContact O-CB 3.35Å; T34-K37 PolarHBondContact O-N 3.21Å; F35-K37 VanDerWaalsContact C-N 3.31Å; F35-K37 PolarHBondContact O-N 2.95Å
38L86.1Confident84.5Confident41 Ų4153.8 Ų53.822%0.21530%0.296CS..Hα-helixtrans-84.5-26.9177.2-65.7171.9000111.8T34 F35 L36 L50 Q54 L58T34-L38 HydrophobicContact CG2-CD1 4.35Å; T34-L38 WeakPolarHBondContact O-CG 3.34Å; T34-L38 PolarHBondContact O-N 3.31Å; F35-L38 PolarHBondContact O-N 2.89Å; F35-L38 VanDerWaalsContact O-N 3.08Å; L36-L38 VanDerWaalsContact C-N 3.27Å; L36-L38 PolarHBondContact O-N 3.49Å; L38-L50 HydrophobicContact CB-CD1 3.98Å; L38-L50 HydrophobicContact CB-CD2 3.53Å; L38-L50 HydrophobicContact CB-CG 4.43Å; L38-L50 HydrophobicContact CD1-CD1 3.87Å; L38-Q54 PolarHBondContact O-NE2 3.12Å; L38-L58 HydrophobicContact CD1-CD2 3.94Å; L38-L58 HydrophobicContact CD1-CG 4.47Å
39C84.4Confident84.6Confident11 Ų1157 Ų577%0.07432%0.315CS..SBendtrans-72152.2176.5-66.10000112.9F35 L36 A48 L50F35-C39 WeakPolarHBondContact CE1-SG 3.31Å; F35-C39 PolarHBondContact O-N 3.44Å; F35-C39 PolarHBondContact O-SG 3.19Å; L36-C39 PolarHBondContact O-N 2.9Å; C39-A48 HydrophobicContact CB-CB 4.27Å; C39-A48 VanDerWaalsContact SG-CB 3.54Å; C39-L50 HydrophobicContact CB-CD2 4.5Å; C39-L50 VanDerWaalsContact SG-CD2 3.53Å
40P75.8Confident84.7Confident72 Ų7254.1 Ų54.147%0.46830%0.3SS..PPolyproline II helixtrans-57142.6164.1-20.531.9000111
41P72.6Confident84.8Confident132 Ų13256.4 Ų56.486%0.85731%0.314SS*.THydrogen-bonded Turntrans-62.8142.2-176.625.2-33.7000111.9
42G70Confident84.9Confident89 Ų8960.2 Ų60.292%0.91833%0.333SS*.THydrogen-bonded Turntrans91.95170.900000116.1
43K74.2Confident84.9Confident113 Ų11366.2 Ų66.249%0.49137%0.365SS..  trans-91.9143.6169.7-69.7-166.5174-170.10111.9A48K43-A48 HydrophobicContact CB-CB 3.93Å; K43-A48 HydrophobicContact CD-CB 4.24Å
44Y82.6Confident85Confident64 Ų6466.6 Ų66.625%0.25137%0.365SS..  trans-71.6140.9167.8-176.9-123.6000110.2Q8 K46 E47 A48Q8-Y44 HydrophobicContact CB-CE2 4.42Å; Q8-Y44 WeakPolarHBondContact O-CE2 3.44Å; Y44-K46 VanDerWaalsContact C-N 3.27Å; Y44-K46 HydrophobicContact CD1-CB 3.82Å; Y44-K46 HydrophobicContact CD1-CG 4.22Å; Y44-K46 HydrophobicContact CE1-CB 3.6Å; Y44-K46 HydrophobicContact CE1-CD 3.84Å; Y44-K46 HydrophobicContact CE1-CG 3.53Å; Y44-K46 PolarHBondContact O-N 2.66Å; Y44-E47 HydrophobicContact CD1-CG 4.5Å; Y44-E47 PolarHBondContact O-N 2.88Å; Y44-A48 PolarHBondContact O-N 3.34Å
45Y82.8Confident85.2Confident2 Ų265.2 Ų65.21%0.00836%0.357CS..THydrogen-bonded Turntrans-61.8-32.3-169.674.9-89000113.3Q8 M9 D13 Y17 H32 E47 A48 F82Q8-Y45 VanDerWaalsContact O-CE1 3.23Å; Q8-Y45 WeakPolarHBondContact O-CE1 3.46Å; M9-Y45 HydrophobicContact CB-CE1 4.4Å; M9-Y45 HydrophobicContact CE-CE2 3.95Å; D13-Y45 WeakPolarHBondContact CB-OH 3.27Å; D13-Y45 VanDerWaalsContact CG-OH 3.26Å; D13-Y45 PolarHBondContact OD2-OH 2.86Å; Y17-Y45 HydrophobicContact CE2-CE2 4.22Å; H32-Y45 AromaticContact CD2-CD1 3.9Å; H32-Y45 AromaticContact CD2-CG 3.73Å; H32-Y45 AromaticContact NE2-CD1 3.54Å; H32-Y45 AromaticContact NE2-CG 3.76Å; Y45-E47 VanDerWaalsContact C-N 3.3Å; Y45-E47 PolarHBondContact O-N 3.2Å; Y45-A48 PolarHBondContact O-N 3.5Å; Y45-F82 HydrophobicContact CD2-CB 3.94Å; Y45-F82 AromaticContact CD2-CD1 3.42Å; Y45-F82 HydrophobicContact CD2-CD1 3.42Å; Y45-F82 VanDerWaalsContact CD2-CD1 3.42Å; Y45-F82 HydrophobicContact CD2-CD2 4.26Å; Y45-F82 AromaticContact CD2-CE1 3.94Å; Y45-F82 HydrophobicContact CD2-CE1 3.94Å; Y45-F82 AromaticContact CD2-CG 3.59Å; Y45-F82 HydrophobicContact CD2-CG 3.59Å; Y45-F82 AromaticContact CE2-CD1 3.47Å; Y45-F82 HydrophobicContact CE2-CD1 3.47Å; Y45-F82 VanDerWaalsContact CE2-CD1 3.47Å; Y45-F82 AromaticContact CE2-CE1 3.78Å; Y45-F82 HydrophobicContact CE2-CE1 3.78Å; Y45-F82 HydrophobicContact CE2-CG 4.14Å
46K85.4Confident85.2Confident91 Ų9166.4 Ų66.440%0.39637%0.365SS..THydrogen-bonded Turntrans-71-22.5177.3-61.4-164.8-178.8-169.90113.9D13 Y44D13-K46 VanDerWaalsContact CG-NZ 3.32Å; D13-K46 IonicContact OD1-NZ 2.81Å; D13-K46 PolarHBondContact OD1-NZ 3.35Å; D13-K46 WeakPolarHBondContact OD2-CE 3.35Å; D13-K46 IonicContact OD2-NZ 3.32Å; Y44-K46 VanDerWaalsContact C-N 3.27Å; Y44-K46 HydrophobicContact CD1-CB 3.82Å; Y44-K46 HydrophobicContact CD1-CG 4.22Å; Y44-K46 HydrophobicContact CE1-CB 3.6Å; Y44-K46 HydrophobicContact CE1-CD 3.84Å; Y44-K46 HydrophobicContact CE1-CG 3.53Å; Y44-K46 PolarHBondContact O-N 2.66Å
47E85.6Confident85.2Confident149 Ų14965.7 Ų65.770%0.69637%0.365SS*.THydrogen-bonded Turntrans-101.9-11.5-179.9-62.2178.8175.900112.5Y44 Y45Y44-E47 HydrophobicContact CD1-CG 4.5Å; Y44-E47 PolarHBondContact O-N 2.88Å; Y45-E47 VanDerWaalsContact C-N 3.3Å; Y45-E47 PolarHBondContact O-N 3.2Å
48A88.1Confident85.2Confident0 Ų059 Ų590%034%0.337CS..  trans-84.2147.6179.500000110.5F35 C39 K43 Y44 Y45F35-A48 HydrophobicContact CE1-CB 3.97Å; F35-A48 HydrophobicContact CZ-CB 4.48Å; C39-A48 HydrophobicContact CB-CB 4.27Å; C39-A48 VanDerWaalsContact SG-CB 3.54Å; K43-A48 HydrophobicContact CB-CB 3.93Å; K43-A48 HydrophobicContact CD-CB 4.24Å; Y44-A48 PolarHBondContact O-N 3.34Å; Y45-A48 PolarHBondContact O-N 3.5Å
49T91.4Very high85.1Confident67 Ų6761.9 Ų61.941%0.41136%0.357SS..  trans-132.7142.9177.8570000109.3V79 F80T49-V79 HydrophobicContact CG2-CG2 4.41Å; T49-F80 CarbonylContact C-O 3.58Å; T49-F80 WeakPolarHBondContact CA-O 3.14Å
50L91.2Very high85.1Confident2 Ų262.4 Ų62.41%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-101.1146.4172.3-59.2179.3000110.7F35 L38 C39 Q54 V55 V79 F80 V85F35-L50 HydrophobicContact CD2-CD1 3.41Å; F35-L50 VanDerWaalsContact CD2-CD1 3.41Å; F35-L50 HydrophobicContact CD2-CG 3.91Å; F35-L50 HydrophobicContact CE2-CD1 3.59Å; F35-L50 HydrophobicContact CE2-CG 3.58Å; F35-L50 HydrophobicContact CG-CD1 4.25Å; F35-L50 HydrophobicContact CZ-CG 4.14Å; L38-L50 HydrophobicContact CB-CD1 3.98Å; L38-L50 HydrophobicContact CB-CD2 3.53Å; L38-L50 HydrophobicContact CB-CG 4.43Å; L38-L50 HydrophobicContact CD1-CD1 3.87Å; C39-L50 HydrophobicContact CB-CD2 4.5Å; C39-L50 VanDerWaalsContact SG-CD2 3.53Å; L50-Q54 VanDerWaalsContact CA-OE1 3.29Å; L50-Q54 HydrophobicContact CB-CB 4.28Å; L50-Q54 HydrophobicContact CD2-CB 4.49Å; L50-V55 HydrophobicContact CB-CG2 3.85Å; L50-V55 HydrophobicContact CD1-CG2 4.04Å; L50-V79 CarbonylContact O-C 3.48Å; L50-V79 VanDerWaalsContact O-CA 3.24Å; L50-V79 WeakPolarHBondContact O-CA 3.44Å; L50-F80 HydrophobicContact CB-CB 4.28Å; L50-F80 PolarHBondContact N-O 2.65Å; L50-F80 PolarHBondContact O-N 3Å; L50-V85 HydrophobicContact CD1-CG2 4.45Å
51T92.7Very high85.5Confident63 Ų6359 Ų5939%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-79.8161.5170.268.10000110.8D53 Q54 V55T51-D53 PolarHBondContact O-N 3.46Å; T51-Q54 PolarHBondContact O-N 3.41Å; T51-Q54 VanDerWaalsContact O-N 3.1Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.39Å; T51-Q54 PolarHBondContact OG1-N 3.49Å; T51-V55 PolarHBondContact O-N 3.24Å; T51-V55 VanDerWaalsContact O-N 3.14Å
52M90.9Very high86.1Confident80 Ų8060.1 Ų60.139%0.39433%0.328SS..Hα-helixtrans-55.3-35.4172.3-68.3-173.2-67.200112.8V55 S56 C71 F80M52-V55 PolarHBondContact O-N 3.17Å; M52-S56 VanDerWaalsContact O-CB 3.22Å; M52-S56 WeakPolarHBondContact O-CB 3.07Å; M52-S56 PolarHBondContact O-N 3.34Å; M52-S56 PolarHBondContact O-OG 2.94Å; M52-C71 HydrophobicContact CG-CB 4.42Å; M52-F80 HydrophobicContact CG-CE2 4.06Å
53D89.8Confident86.9Confident127 Ų12762 Ų6268%0.67932%0.321SS*.Hα-helixtrans-65.6-40177.5-64.2-33.8000111.8T51 S56 S57T51-D53 PolarHBondContact O-N 3.46Å; D53-S56 WeakPolarHBondContact CA-OG 3.15Å; D53-S56 PolarHBondContact O-OG 3.43Å; D53-S57 VanDerWaalsContact O-CB 3.32Å; D53-S57 WeakPolarHBondContact O-CB 3.35Å; D53-S57 PolarHBondContact O-N 3.38Å
54Q90.8Very high87.5Confident54 Ų5458.3 Ų58.325%0.25231%0.307SS..Hα-helixtrans-65.8-44.7177.8-70175.3-48.400111.2L38 L50 T51 S57L38-Q54 PolarHBondContact O-NE2 3.12Å; L50-Q54 VanDerWaalsContact CA-OE1 3.29Å; L50-Q54 HydrophobicContact CB-CB 4.28Å; L50-Q54 HydrophobicContact CD2-CB 4.49Å; T51-Q54 PolarHBondContact O-N 3.41Å; T51-Q54 VanDerWaalsContact O-N 3.1Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.39Å; T51-Q54 PolarHBondContact OG1-N 3.49Å; Q54-S57 PolarHBondContact O-N 2.95Å; Q54-S57 PolarHBondContact O-OG 3.45Å
55V90.4Very high87.8Confident1 Ų157.5 Ų57.51%0.00631%0.309CS..Hα-helixtrans-69.7-45.1179.1178.90000111.4L50 T51 M52 S57 L58 L61 F80 M88L50-V55 HydrophobicContact CB-CG2 3.85Å; L50-V55 HydrophobicContact CD1-CG2 4.04Å; T51-V55 PolarHBondContact O-N 3.24Å; T51-V55 VanDerWaalsContact O-N 3.14Å; M52-V55 PolarHBondContact O-N 3.17Å; V55-S57 PolarHBondContact O-N 2.91Å; V55-L58 HydrophobicContact CG1-CD1 4.24Å; V55-L58 VanDerWaalsContact O-CB 3.23Å; V55-L58 WeakPolarHBondContact O-CB 3.37Å; V55-L58 WeakPolarHBondContact O-CD1 3.4Å; V55-L58 WeakPolarHBondContact O-CG 3.25Å; V55-L58 PolarHBondContact O-N 3.32Å; V55-L61 HydrophobicContact CG1-CD1 3.84Å; V55-F80 HydrophobicContact CB-CD2 4.19Å; V55-F80 HydrophobicContact CB-CE2 4.02Å; V55-F80 HydrophobicContact CB-CZ 4.32Å; V55-F80 HydrophobicContact CG1-CE1 4.29Å; V55-F80 HydrophobicContact CG1-CE2 4.35Å; V55-F80 HydrophobicContact CG1-CZ 4.13Å; V55-F80 HydrophobicContact CG2-CB 4.17Å; V55-F80 HydrophobicContact CG2-CD1 4.28Å; V55-F80 HydrophobicContact CG2-CD2 3.53Å; V55-F80 HydrophobicContact CG2-CE2 3.89Å; V55-F80 HydrophobicContact CG2-CG 3.74Å; V55-F80 HydrophobicContact CG2-CZ 4.38Å; V55-M88 HydrophobicContact CG1-CE 3.81Å; V55-M88 HydrophobicContact CG1-SD 4.3Å
56S89.1Confident88.3Confident27 Ų2758 Ų5819%0.18931%0.311CS..Hα-helixtrans-65.6-19.5177.663.30000113.5M52 D53 L58M52-S56 VanDerWaalsContact O-CB 3.22Å; M52-S56 WeakPolarHBondContact O-CB 3.07Å; M52-S56 PolarHBondContact O-N 3.34Å; M52-S56 PolarHBondContact O-OG 2.94Å; D53-S56 WeakPolarHBondContact CA-OG 3.15Å; D53-S56 PolarHBondContact O-OG 3.43Å; S56-L58 PolarHBondContact O-N 2.96Å
57S88.1Confident88.6Confident45 Ų4559 Ų5932%0.31531%0.313SS..THydrogen-bonded Turntrans-71.2-14.5174.282.20000113.8D53 Q54 V55 R62D53-S57 VanDerWaalsContact O-CB 3.32Å; D53-S57 WeakPolarHBondContact O-CB 3.35Å; D53-S57 PolarHBondContact O-N 3.38Å; Q54-S57 PolarHBondContact O-N 2.95Å; Q54-S57 PolarHBondContact O-OG 3.45Å; V55-S57 PolarHBondContact O-N 2.91Å; S57-R62 PolarHBondContact O-NE 2.8Å; S57-R62 PolarHBondContact O-NH2 3.08Å
58L87Confident88.9Confident10 Ų1055.1 Ų55.15%0.05230%0.297CS..SBendtrans-56.1133.3177.8-71.7173.1000110.5T34 L38 V55 S56 A60 L61 R62 F182 W183T34-L58 HydrophobicContact CG2-CD2 3.98Å; L38-L58 HydrophobicContact CD1-CD2 3.94Å; L38-L58 HydrophobicContact CD1-CG 4.47Å; V55-L58 HydrophobicContact CG1-CD1 4.24Å; V55-L58 VanDerWaalsContact O-CB 3.23Å; V55-L58 WeakPolarHBondContact O-CB 3.37Å; V55-L58 WeakPolarHBondContact O-CD1 3.4Å; V55-L58 WeakPolarHBondContact O-CG 3.25Å; V55-L58 PolarHBondContact O-N 3.32Å; S56-L58 PolarHBondContact O-N 2.96Å; L58-A60 PolarHBondContact O-N 2.94Å; L58-A60 VanDerWaalsContact O-N 3.12Å; L58-L61 PolarHBondContact O-N 2.84Å; L58-R62 PolarHBondContact O-N 3.23Å; L58-F182 HydrophobicContact CD1-CD1 4.4Å; L58-W183 HydrophobicContact CD1-CH2 3.66Å; L58-W183 HydrophobicContact CD1-CZ3 3.8Å; L58-W183 HydrophobicContact CD2-CZ3 3.89Å
59P84.8Confident89.1Confident100 Ų10055.5 Ų55.565%0.64930%0.298SS*.Hα-helixtrans-53-38.8-176.3-28.535.1000113.9R62P59-R62 PolarHBondContact O-N 3.37Å
60A83.3Confident89.2Confident23 Ų2352.5 Ų52.519%0.1928%0.28CS..Hα-helixtrans-68.9-31.2-179.800000114L58 I180 H181 F182L58-A60 PolarHBondContact O-N 2.94Å; L58-A60 VanDerWaalsContact O-N 3.12Å; A60-I180 HydrophobicContact CB-CG2 3.76Å; A60-H181 WeakPolarHBondContact CB-O 3.24Å; A60-F182 HydrophobicContact CB-CB 4.47Å; A60-F182 HydrophobicContact CB-CD1 4.31Å
61L85.5Confident89.3Confident0 Ų052.5 Ų52.50%028%0.28CS..Hα-helixtrans-87.8-28176.1-74.4179.6000112.7V55 L58 V63 N64 R67 I70 M88 I180 F182V55-L61 HydrophobicContact CG1-CD1 3.84Å; L58-L61 PolarHBondContact O-N 2.84Å; L61-V63 PolarHBondContact O-N 2.8Å; L61-V63 VanDerWaalsContact O-N 3.16Å; L61-N64 WeakPolarHBondContact O-CB 3.36Å; L61-N64 PolarHBondContact O-N 2.84Å; L61-R67 HydrophobicContact CB-CB 4.4Å; L61-R67 VanDerWaalsContact O-CB 3.28Å; L61-R67 WeakPolarHBondContact O-CB 3.39Å; L61-I70 HydrophobicContact CD2-CB 4.47Å; L61-I70 HydrophobicContact CD2-CD1 3.92Å; L61-I70 HydrophobicContact CD2-CG2 4.07Å; L61-M88 HydrophobicContact CD1-CE 4.36Å; L61-M88 HydrophobicContact CD1-SD 4.29Å; L61-I180 HydrophobicContact CD2-CD1 4.31Å; L61-F182 HydrophobicContact CD1-CD1 4.47Å; L61-F182 HydrophobicContact CD1-CE1 3.81Å; L61-F182 HydrophobicContact CD2-CD1 4.49Å; L61-F182 HydrophobicContact CD2-CE1 3.5Å; L61-F182 VanDerWaalsContact CD2-CE1 3.5Å; L61-F182 HydrophobicContact CD2-CZ 4.02Å; L61-F182 HydrophobicContact CG-CD1 4.07Å; L61-F182 HydrophobicContact CG-CE1 3.46Å; L61-F182 VanDerWaalsContact CG-CE1 3.46Å; L61-F182 HydrophobicContact CG-CZ 4.44Å
62R85.6Confident89.3Confident156 Ų15655.6 Ų55.659%0.58929%0.285SS*.Hα-helixtrans-56.9-36.6-173.3-172.5179-63-176.90.1113S57 L58 P59S57-R62 PolarHBondContact O-NE 2.8Å; S57-R62 PolarHBondContact O-NH2 3.08Å; L58-R62 PolarHBondContact O-N 3.23Å; P59-R62 PolarHBondContact O-N 3.37Å
63V85.1Confident89.4Confident129 Ų12953.5 Ų53.578%0.78228%0.276SS*.THydrogen-bonded Turntrans-90.2-3.9179.7-61.60000113.2L61L61-V63 PolarHBondContact O-N 2.8Å; L61-V63 VanDerWaalsContact O-N 3.16Å
64N87.8Confident89.6Confident34 Ų3448 Ų4818%0.18225%0.246CC..  trans-82.6125.2-177.4-166.8-62.5000110.4L61 F66 R67L61-N64 WeakPolarHBondContact O-CB 3.36Å; L61-N64 PolarHBondContact O-N 2.84Å; N64-F66 PolarHBondContact O-N 2.85Å; N64-F66 WeakPolarHBondContact OD1-CA 3.4Å; N64-F66 WeakPolarHBondContact OD1-CB 3.34Å; N64-F66 PolarHBondContact OD1-N 2.95Å; N64-R67 HydrophobicContact CB-CB 4.43Å; N64-R67 WeakPolarHBondContact O-CB 3.28Å; N64-R67 PolarHBondContact O-N 3.27Å
65P89.1Confident89.7Confident47 Ų4746.5 Ų46.531%0.30524%0.242SC..THydrogen-bonded Turntrans-69.1-13.8-178.928.1-34.5000113.3R128P65-R128 HydrophobicContact CB-CB 4.16Å; P65-R128 WeakPolarHBondContact CB-O 3.28Å; P65-R128 PolarHBondContact O-NH1 2.74Å
66F91.9Very high89.6Confident12 Ų1251.8 Ų51.85%0.05327%0.266CS..THydrogen-bonded Turntrans-105.513.9176.5-57.6-81.1000113.1N64 D68 R69 I70 I108 Y109 F111 I125 R128 L129N64-F66 PolarHBondContact O-N 2.85Å; N64-F66 WeakPolarHBondContact OD1-CA 3.4Å; N64-F66 WeakPolarHBondContact OD1-CB 3.34Å; N64-F66 PolarHBondContact OD1-N 2.95Å; F66-D68 VanDerWaalsContact C-N 3.26Å; F66-D68 PolarHBondContact O-N 2.73Å; F66-D68 VanDerWaalsContact O-N 3.15Å; F66-R69 WeakPolarHBondContact O-CA 3.4Å; F66-R69 WeakPolarHBondContact O-CB 3.05Å; F66-R69 PolarHBondContact O-N 3.23Å; F66-I70 HydrophobicContact CB-CD1 4.4Å; F66-I70 HydrophobicContact CB-CG1 4.43Å; F66-I70 WeakPolarHBondContact O-CG1 3.39Å; F66-I70 PolarHBondContact O-N 3.46Å; F66-I108 HydrophobicContact CB-CG2 3.98Å; F66-I108 HydrophobicContact CD1-CG2 4.42Å; F66-I108 HydrophobicContact CG-CG2 4.36Å; F66-Y109 HydrophobicContact CD1-CD1 4.38Å; F66-Y109 HydrophobicContact CD1-CE1 4.27Å; F66-Y109 HydrophobicContact CD2-CE1 4.49Å; F66-Y109 HydrophobicContact CE1-CD1 4.13Å; F66-Y109 AromaticContact CE1-CE1 3.98Å; F66-Y109 HydrophobicContact CE1-CE1 3.98Å; F66-Y109 HydrophobicContact CE2-CE1 4.23Å; F66-Y109 AromaticContact CZ-CE1 3.97Å; F66-Y109 HydrophobicContact CZ-CE1 3.97Å; F66-F111 HydrophobicContact CD1-CZ 4.29Å; F66-F111 HydrophobicContact CE1-CZ 4.29Å; F66-I125 HydrophobicContact CE1-CB 4.47Å; F66-I125 HydrophobicContact CE1-CG1 4.24Å; F66-I125 HydrophobicContact CE1-CG2 4.4Å; F66-I125 HydrophobicContact CZ-CB 4.5Å; F66-I125 HydrophobicContact CZ-CG2 4.03Å; F66-R128 HydrophobicContact CE1-CB 3.96Å; F66-R128 HydrophobicContact CE1-CG 4.49Å; F66-R128 HydrophobicContact CZ-CB 3.84Å; F66-L129 HydrophobicContact CE2-CD2 3.75Å; F66-L129 HydrophobicContact CE2-CG 4.12Å; F66-L129 HydrophobicContact CZ-CD2 4.2Å; F66-L129 HydrophobicContact CZ-CG 4.04Å
67R91.8Very high89.5Confident112 Ų11259.3 Ų59.342%0.42330%0.295SS..Hα-helixtrans-53.5-38.7-174.372.1-176.9-177.2-78.4-5.3114.2L61 N64 C71L61-R67 HydrophobicContact CB-CB 4.4Å; L61-R67 VanDerWaalsContact O-CB 3.28Å; L61-R67 WeakPolarHBondContact O-CB 3.39Å; N64-R67 HydrophobicContact CB-CB 4.43Å; N64-R67 WeakPolarHBondContact O-CB 3.28Å; N64-R67 PolarHBondContact O-N 3.27Å; R67-C71 WeakPolarHBondContact O-CB 3.26Å; R67-C71 PolarHBondContact O-N 3.39Å; R67-C71 PolarHBondContact O-SG 2.99Å; R67-C71 VanDerWaalsContact O-SG 3.32Å
68D92.1Very high89.4Confident69 Ų6958.4 Ų58.437%0.36929%0.293SS..Hα-helixtrans-66.2-41.3177.855.6-54.2000111.3F66 C71 R72 R128F66-D68 VanDerWaalsContact C-N 3.26Å; F66-D68 PolarHBondContact O-N 2.73Å; F66-D68 VanDerWaalsContact O-N 3.15Å; D68-C71 PolarHBondContact O-N 3.2Å; D68-R72 VanDerWaalsContact O-CB 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.28Å; D68-R72 PolarHBondContact O-N 3.17Å; D68-R128 IonicContact OD1-CZ 2.7Å; D68-R128 IonicContact OD1-NH1 3.86Å; D68-R128 PolarHBondContact OD1-NH1 3.05Å; D68-R128 IonicContact OD1-NH2 3.06Å; D68-R128 IonicContact OD2-CZ 3.51Å; D68-R128 IonicContact OD2-NH1 2.62Å; D68-R128 PolarHBondContact OD2-NH1 2.98Å; D68-R128 IonicContact OD2-NH2 3.95Å; D68-R128 PolarHBondContact OD2-NH2 3.44Å
69R93.5Very high89.7Confident8 Ų860.4 Ų60.43%0.0331%0.306CS..Hα-helixtrans-69.5-46.2176.3-65.6-55.3-59.7173.510.2111.9F66 C71 R72 V73 I108 D110 F111 E113F66-R69 WeakPolarHBondContact O-CA 3.4Å; F66-R69 WeakPolarHBondContact O-CB 3.05Å; F66-R69 PolarHBondContact O-N 3.23Å; R69-C71 VanDerWaalsContact C-N 3.27Å; R69-C71 PolarHBondContact O-N 3.38Å; R69-R72 PolarHBondContact O-N 2.98Å; R69-R72 VanDerWaalsContact O-N 3.11Å; R69-V73 WeakPolarHBondContact O-CG2 3.47Å; R69-V73 PolarHBondContact O-N 3.33Å; R69-I108 HydrophobicContact CB-CG2 3.91Å; R69-I108 WeakPolarHBondContact CB-O 3.43Å; R69-I108 PolarHBondContact NE-O 3.02Å; R69-D110 PolarHBondContact NH2-O 2.91Å; R69-F111 VanDerWaalsContact CD-CD1 3.49Å; R69-F111 HydrophobicContact CG-CD1 3.92Å; R69-F111 HydrophobicContact CG-CE1 3.44Å; R69-F111 VanDerWaalsContact CG-CE1 3.44Å; R69-F111 HydrophobicContact CG-CZ 3.96Å; R69-F111 PolarHBondContact NH1-O 3.27Å; R69-E113 IonicContact NH1-OE1 2.85Å; R69-E113 IonicContact NH2-OE1 3.98Å
70I93.1Very high90.1Very high3 Ų355.6 Ų55.62%0.01528%0.275CS..Hα-helixtrans-54.7-49.3173.5-64167.3000109.1L61 F66 R72 V73 F74 M88 F92 I108 I180L61-I70 HydrophobicContact CD2-CB 4.47Å; L61-I70 HydrophobicContact CD2-CD1 3.92Å; L61-I70 HydrophobicContact CD2-CG2 4.07Å; F66-I70 HydrophobicContact CB-CD1 4.4Å; F66-I70 HydrophobicContact CB-CG1 4.43Å; F66-I70 WeakPolarHBondContact O-CG1 3.39Å; F66-I70 PolarHBondContact O-N 3.46Å; I70-R72 VanDerWaalsContact C-N 3.31Å; I70-R72 PolarHBondContact O-N 2.87Å; I70-V73 PolarHBondContact O-N 3.12Å; I70-F74 HydrophobicContact CG2-CD2 4.02Å; I70-F74 HydrophobicContact CG2-CE2 4.32Å; I70-F74 WeakPolarHBondContact O-CD2 3.35Å; I70-F74 PolarHBondContact O-N 3.27Å; I70-M88 HydrophobicContact CG2-CG 4.34Å; I70-M88 HydrophobicContact CG2-SD 3.88Å; I70-F92 HydrophobicContact CD1-CZ 4.02Å; I70-F92 HydrophobicContact CG1-CZ 4.11Å; I70-F92 HydrophobicContact CG2-CE2 3.88Å; I70-F92 HydrophobicContact CG2-CZ 4.09Å; I70-I108 HydrophobicContact CG1-CD1 3.83Å; I70-I108 HydrophobicContact CG1-CG1 4.28Å; I70-I108 HydrophobicContact CG1-CG2 4.42Å; I70-I180 HydrophobicContact CD1-CD1 4.04Å
71C93.2Very high90.6Very high3 Ų356 Ų562%0.0228%0.276CS..Hα-helixtrans-61.5-42179.4-77.60000112.1M52 R67 D68 R69 S75 F80M52-C71 HydrophobicContact CG-CB 4.42Å; R67-C71 WeakPolarHBondContact O-CB 3.26Å; R67-C71 PolarHBondContact O-N 3.39Å; R67-C71 PolarHBondContact O-SG 2.99Å; R67-C71 VanDerWaalsContact O-SG 3.32Å; D68-C71 PolarHBondContact O-N 3.2Å; R69-C71 VanDerWaalsContact C-N 3.27Å; R69-C71 PolarHBondContact O-N 3.38Å; C71-S75 WeakPolarHBondContact O-CB 3.44Å; C71-S75 PolarHBondContact O-N 3.49Å; C71-S75 PolarHBondContact O-OG 3.48Å; C71-F80 HydrophobicContact CB-CE2 4.41Å; C71-F80 HydrophobicContact CB-CZ 4.03Å; C71-F80 WeakPolarHBondContact O-CZ 3.4Å
72R92.6Very high90.9Very high128 Ų12856.2 Ų56.248%0.48328%0.277SS..Hα-helixtrans-63.8-44.7-179.9-175.4166.3171.8168.3-4112.4D68 R69 I70 S75 E113D68-R72 VanDerWaalsContact O-CB 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.28Å; D68-R72 PolarHBondContact O-N 3.17Å; R69-R72 PolarHBondContact O-N 2.98Å; R69-R72 VanDerWaalsContact O-N 3.11Å; I70-R72 VanDerWaalsContact C-N 3.31Å; I70-R72 PolarHBondContact O-N 2.87Å; R72-S75 PolarHBondContact O-OG 3.03Å; R72-E113 IonicContact CZ-OE1 3.34Å; R72-E113 IonicContact NE-OE1 2.76Å; R72-E113 PolarHBondContact NE-OE1 2.94Å; R72-E113 IonicContact NH2-OE1 3.58Å; R72-E113 PolarHBondContact NH2-OE1 2.78Å; R72-E113 IonicContact NH2-OE2 3.98Å; R72-E113 PolarHBondContact NH2-OE2 3.41Å
73V93.4Very high91.2Very high35 Ų3554.4 Ų54.421%0.21228%0.275CS..Hα-helixtrans-65.8-38.1-178.11700000112.5R69 I70 Y104 R107 I108R69-V73 WeakPolarHBondContact O-CG2 3.47Å; R69-V73 PolarHBondContact O-N 3.33Å; I70-V73 PolarHBondContact O-N 3.12Å; V73-Y104 HydrophobicContact CG1-CD1 3.74Å; V73-Y104 HydrophobicContact CG1-CE1 4.01Å; V73-R107 HydrophobicContact CG1-CB 3.99Å; V73-R107 HydrophobicContact CG2-CB 4.06Å; V73-R107 WeakPolarHBondContact CG2-O 3.44Å; V73-I108 HydrophobicContact CB-CG1 4.33Å; V73-I108 HydrophobicContact CG2-CG1 3.98Å
74F93.3Very high91.6Very high11 Ų1150.3 Ų50.35%0.04825%0.249CC..Hα-helixtrans-92.4-14.5-178.1-74.2-80000114.1I70 F80 D84 M88 V91 F92 Y104I70-F74 HydrophobicContact CG2-CD2 4.02Å; I70-F74 HydrophobicContact CG2-CE2 4.32Å; I70-F74 WeakPolarHBondContact O-CD2 3.35Å; I70-F74 PolarHBondContact O-N 3.27Å; F74-F80 HydrophobicContact CB-CE1 3.69Å; F74-D84 WeakPolarHBondContact O-CB 3.42Å; F74-M88 HydrophobicContact CB-CB 4.16Å; F74-M88 HydrophobicContact CB-CG 4.41Å; F74-M88 HydrophobicContact CD1-CB 3.7Å; F74-M88 HydrophobicContact CD1-CG 4.29Å; F74-M88 HydrophobicContact CD2-CB 4.1Å; F74-M88 HydrophobicContact CD2-CG 3.76Å; F74-M88 HydrophobicContact CD2-SD 4.39Å; F74-M88 HydrophobicContact CE1-CB 4.06Å; F74-M88 HydrophobicContact CE2-CB 4.43Å; F74-M88 HydrophobicContact CE2-CG 4.03Å; F74-M88 HydrophobicContact CG-CB 3.72Å; F74-M88 HydrophobicContact CG-CG 3.9Å; F74-M88 HydrophobicContact CZ-CB 4.4Å; F74-M88 HydrophobicContact CZ-CG 4.4Å; F74-V91 HydrophobicContact CE1-CB 4.26Å; F74-V91 HydrophobicContact CE1-CG2 3.85Å; F74-V91 HydrophobicContact CZ-CB 3.8Å; F74-V91 HydrophobicContact CZ-CG1 4.01Å; F74-V91 HydrophobicContact CZ-CG2 3.8Å; F74-F92 AromaticContact CE2-CE2 3.89Å; F74-F92 HydrophobicContact CE2-CE2 3.89Å; F74-F92 HydrophobicContact CE2-CZ 4.46Å; F74-F92 HydrophobicContact CZ-CE2 4.38Å; F74-Y104 HydrophobicContact CD1-CD1 4.42Å; F74-Y104 AromaticContact CD1-CE1 3.84Å; F74-Y104 HydrophobicContact CD1-CE1 3.84Å; F74-Y104 AromaticContact CE1-CD1 3.56Å; F74-Y104 HydrophobicContact CE1-CD1 3.56Å; F74-Y104 AromaticContact CE1-CE1 3.16Å; F74-Y104 HydrophobicContact CE1-CE1 3.16Å; F74-Y104 HydrophobicContact CE1-CG 4.4Å; F74-Y104 AromaticContact CE1-CZ 3.76Å; F74-Y104 AromaticContact CE2-CD1 3.76Å; F74-Y104 HydrophobicContact CE2-CD1 3.76Å; F74-Y104 HydrophobicContact CE2-CE1 4.15Å; F74-Y104 AromaticContact CZ-CD1 3.17Å; F74-Y104 HydrophobicContact CZ-CD1 3.17Å; F74-Y104 AromaticContact CZ-CE1 3.36Å; F74-Y104 HydrophobicContact CZ-CE1 3.36Å; F74-Y104 AromaticContact CZ-CG 3.87Å; F74-Y104 HydrophobicContact CZ-CG 3.87Å
75S92.6Very high91.8Very high23 Ų2348.8 Ų48.816%0.16124%0.241CC..  trans-80.1144177.974.70000112.3C71 R72 V79C71-S75 WeakPolarHBondContact O-CB 3.44Å; C71-S75 PolarHBondContact O-N 3.49Å; C71-S75 PolarHBondContact O-OG 3.48Å; R72-S75 PolarHBondContact O-OG 3.03Å; S75-V79 WeakPolarHBondContact CA-O 3.49Å
76H88.5Confident92Very high112 Ų11246.7 Ų46.752%0.51923%0.227SC..BIsolated β-bridgetrans-102.4115.8166.1-169.477.2000109.6G78 V79H76-G78 PolarHBondContact O-N 2.96Å; H76-V79 PolarHBondContact N-O 3.4Å; H76-V79 VanDerWaalsContact O-CG2 3.23Å; H76-V79 WeakPolarHBondContact O-CG2 3.39Å; H76-V79 PolarHBondContact O-N 2.67Å; H76-V79 VanDerWaalsContact O-O 3.14Å
77K86.4Confident92Very high185 Ų18547.2 Ų47.280%0.80424%0.236SC*.THydrogen-bonded Turntrans56.133.4-177.7-58.4171.6-179.81670113.4V79K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.21Å
78G86.8Confident92.1Very high26 Ų2641.9 Ų41.927%0.26822%0.216SC..THydrogen-bonded Turntrans77.911.2178.400000114.9H76H76-G78 PolarHBondContact O-N 2.96Å
79V92.6Very high92.1Very high52 Ų5238.8 Ų38.832%0.31520%0.2SC..EExtended strand (participates in β ladder)trans-127.7160.3172.2-63.10000111T49 L50 S75 H76 K77T49-V79 HydrophobicContact CG2-CG2 4.41Å; L50-V79 CarbonylContact O-C 3.48Å; L50-V79 VanDerWaalsContact O-CA 3.24Å; L50-V79 WeakPolarHBondContact O-CA 3.44Å; S75-V79 WeakPolarHBondContact CA-O 3.49Å; H76-V79 PolarHBondContact N-O 3.4Å; H76-V79 VanDerWaalsContact O-CG2 3.23Å; H76-V79 WeakPolarHBondContact O-CG2 3.39Å; H76-V79 PolarHBondContact O-N 2.67Å; H76-V79 VanDerWaalsContact O-O 3.14Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.21Å
80F93.7Very high92Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-117.3123.2178.1-67.6-103000110T49 L50 M52 V55 C71 F74 D84 V85T49-F80 CarbonylContact C-O 3.58Å; T49-F80 WeakPolarHBondContact CA-O 3.14Å; L50-F80 HydrophobicContact CB-CB 4.28Å; L50-F80 PolarHBondContact N-O 2.65Å; L50-F80 PolarHBondContact O-N 3Å; M52-F80 HydrophobicContact CG-CE2 4.06Å; V55-F80 HydrophobicContact CB-CD2 4.19Å; V55-F80 HydrophobicContact CB-CE2 4.02Å; V55-F80 HydrophobicContact CB-CZ 4.32Å; V55-F80 HydrophobicContact CG1-CE1 4.29Å; V55-F80 HydrophobicContact CG1-CE2 4.35Å; V55-F80 HydrophobicContact CG1-CZ 4.13Å; V55-F80 HydrophobicContact CG2-CB 4.17Å; V55-F80 HydrophobicContact CG2-CD1 4.28Å; V55-F80 HydrophobicContact CG2-CD2 3.53Å; V55-F80 HydrophobicContact CG2-CE2 3.89Å; V55-F80 HydrophobicContact CG2-CG 3.74Å; V55-F80 HydrophobicContact CG2-CZ 4.38Å; C71-F80 HydrophobicContact CB-CE2 4.41Å; C71-F80 HydrophobicContact CB-CZ 4.03Å; C71-F80 WeakPolarHBondContact O-CZ 3.4Å; F74-F80 HydrophobicContact CB-CE1 3.69Å; F80-D84 HydrophobicContact CB-CB 4.27Å; F80-D84 HydrophobicContact CD1-CB 3.94Å; F80-V85 HydrophobicContact CB-CG2 3.93Å; F80-V85 HydrophobicContact CD1-CG2 4.26Å; F80-V85 HydrophobicContact CG-CG2 4.44Å
81S93.6Very high92Very high32 Ų3238.8 Ų38.822%0.22420%0.201CC..  trans-73.4171160.468.70000110.7E83 D84 V85S81-E83 PolarHBondContact O-N 3.14Å; S81-E83 PolarHBondContact OG-N 3.38Å; S81-D84 WeakPolarHBondContact CB-OD2 3.43Å; S81-D84 PolarHBondContact N-OD2 2.89Å; S81-D84 PolarHBondContact O-N 3.32Å; S81-D84 PolarHBondContact OG-N 3.47Å; S81-D84 VanDerWaalsContact OG-N 3.12Å; S81-D84 PolarHBondContact OG-OD2 3.04Å; S81-V85 PolarHBondContact O-N 2.78Å
82F91.7Very high91.9Very high3 Ų339 Ų391%0.01320%0.202CC..Hα-helixtrans-59.6-37.8171.9-179.3-113.4000112.1M9 Y17 I31 H32 F35 Y45 V85 L86M9-F82 HydrophobicContact CE-CD1 4.43Å; M9-F82 HydrophobicContact CE-CE1 3.35Å; M9-F82 HydrophobicContact CE-CZ 3.49Å; M9-F82 VanDerWaalsContact CE-CZ 3.49Å; Y17-F82 HydrophobicContact CD2-CE1 4.06Å; Y17-F82 HydrophobicContact CE2-CD1 4.11Å; Y17-F82 AromaticContact CE2-CE1 3.69Å; Y17-F82 HydrophobicContact CE2-CE1 3.69Å; I31-F82 HydrophobicContact CG2-CE2 3.97Å; H32-F82 HydrophobicContact CB-CE2 3.9Å; H32-F82 HydrophobicContact CB-CZ 3.91Å; F35-F82 HydrophobicContact CB-CD2 4.1Å; F35-F82 HydrophobicContact CB-CE2 4.38Å; F35-F82 HydrophobicContact CD1-CB 4.47Å; F35-F82 AromaticContact CD1-CD2 4Å; F35-F82 HydrophobicContact CD1-CD2 4Å; F35-F82 HydrophobicContact CD2-CD2 4.13Å; F35-F82 HydrophobicContact CE1-CB 4.08Å; F35-F82 HydrophobicContact CE1-CD2 4.44Å; F35-F82 HydrophobicContact CE2-CB 4.3Å; F35-F82 AromaticContact CG-CD2 3.83Å; F35-F82 HydrophobicContact CG-CD2 3.83Å; F35-F82 HydrophobicContact CZ-CB 4Å; Y45-F82 HydrophobicContact CD2-CB 3.94Å; Y45-F82 AromaticContact CD2-CD1 3.42Å; Y45-F82 HydrophobicContact CD2-CD1 3.42Å; Y45-F82 VanDerWaalsContact CD2-CD1 3.42Å; Y45-F82 HydrophobicContact CD2-CD2 4.26Å; Y45-F82 AromaticContact CD2-CE1 3.94Å; Y45-F82 HydrophobicContact CD2-CE1 3.94Å; Y45-F82 AromaticContact CD2-CG 3.59Å; Y45-F82 HydrophobicContact CD2-CG 3.59Å; Y45-F82 AromaticContact CE2-CD1 3.47Å; Y45-F82 HydrophobicContact CE2-CD1 3.47Å; Y45-F82 VanDerWaalsContact CE2-CD1 3.47Å; Y45-F82 AromaticContact CE2-CE1 3.78Å; Y45-F82 HydrophobicContact CE2-CE1 3.78Å; Y45-F82 HydrophobicContact CE2-CG 4.14Å; F82-V85 PolarHBondContact O-N 3.19Å; F82-L86 HydrophobicContact CD1-CD1 3.85Å; F82-L86 HydrophobicContact CD1-CG 4.32Å; F82-L86 HydrophobicContact CE1-CD1 3.33Å; F82-L86 HydrophobicContact CE1-CD2 4.42Å; F82-L86 HydrophobicContact CE1-CG 3.89Å; F82-L86 HydrophobicContact CE2-CD2 4.5Å; F82-L86 HydrophobicContact CE2-CG 4.3Å; F82-L86 HydrophobicContact CZ-CD1 3.77Å; F82-L86 HydrophobicContact CZ-CD2 3.99Å; F82-L86 HydrophobicContact CZ-CG 3.86Å; F82-L86 WeakPolarHBondContact O-CG 3.38Å; F82-L86 PolarHBondContact O-N 3.34Å
83E92.8Very high91.7Very high118 Ų11833.5 Ų33.555%0.55118%0.183SC*.Hα-helixtrans-66.7-37.8178.5-67.4174.1-178.700111.9Y17 S81 V85 L86 G87Y17-E83 HydrophobicContact CE1-CG 3.98Å; S81-E83 PolarHBondContact O-N 3.14Å; S81-E83 PolarHBondContact OG-N 3.38Å; E83-V85 VanDerWaalsContact C-N 3.32Å; E83-V85 PolarHBondContact O-N 3.22Å; E83-L86 PolarHBondContact O-N 3.4Å; E83-G87 PolarHBondContact O-N 2.74Å
84D94Very high91.3Very high44 Ų4437 Ų3724%0.23520%0.197CC..Hα-helixtrans-63.5-39.9175.2-61.5-41.1000111.4F74 F80 S81 G87 M88F74-D84 WeakPolarHBondContact O-CB 3.42Å; F80-D84 HydrophobicContact CB-CB 4.27Å; F80-D84 HydrophobicContact CD1-CB 3.94Å; S81-D84 WeakPolarHBondContact CB-OD2 3.43Å; S81-D84 PolarHBondContact N-OD2 2.89Å; S81-D84 PolarHBondContact O-N 3.32Å; S81-D84 PolarHBondContact OG-N 3.47Å; S81-D84 VanDerWaalsContact OG-N 3.12Å; S81-D84 PolarHBondContact OG-OD2 3.04Å; D84-G87 PolarHBondContact O-N 3Å; D84-M88 WeakPolarHBondContact O-CB 3.38Å; D84-M88 PolarHBondContact O-N 3.11Å
85V92.4Very high91Very high2 Ų242.2 Ų42.21%0.01222%0.221CC..Hα-helixtrans-68.6-39.7176.5178.10000111.4I31 F35 L50 F80 S81 F82 E83 M88 A89 W183I31-V85 HydrophobicContact CG2-CG1 3.75Å; F35-V85 HydrophobicContact CD2-CB 4.34Å; F35-V85 HydrophobicContact CD2-CG2 3.89Å; F35-V85 HydrophobicContact CE2-CG2 3.96Å; L50-V85 HydrophobicContact CD1-CG2 4.45Å; F80-V85 HydrophobicContact CB-CG2 3.93Å; F80-V85 HydrophobicContact CD1-CG2 4.26Å; F80-V85 HydrophobicContact CG-CG2 4.44Å; S81-V85 PolarHBondContact O-N 2.78Å; F82-V85 PolarHBondContact O-N 3.19Å; E83-V85 VanDerWaalsContact C-N 3.32Å; E83-V85 PolarHBondContact O-N 3.22Å; V85-M88 PolarHBondContact O-N 2.73Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 3.08Å; V85-W183 HydrophobicContact CG1-CH2 3.54Å; V85-W183 HydrophobicContact CG1-CZ2 3.59Å
86L92.4Very high90.8Very high2 Ų241.4 Ų41.41%0.0122%0.217CC..Hα-helixtrans-63.4-44.2172.6-75.6179.5000111.6Y17 L23 I28 I31 F82 E83 M88 A89 S90Y17-L86 HydrophobicContact CD1-CD1 3.53Å; Y17-L86 HydrophobicContact CD2-CD1 3.96Å; Y17-L86 HydrophobicContact CE1-CD1 3.94Å; Y17-L86 HydrophobicContact CE2-CD1 4.32Å; Y17-L86 HydrophobicContact CG-CD1 3.56Å; L23-L86 HydrophobicContact CD1-CD2 3.91Å; I28-L86 HydrophobicContact CG1-CD2 4.27Å; I28-L86 HydrophobicContact CG2-CD2 4.22Å; I31-L86 HydrophobicContact CB-CD2 4.22Å; I31-L86 HydrophobicContact CD1-CD2 3.77Å; I31-L86 HydrophobicContact CG2-CD2 3.95Å; F82-L86 HydrophobicContact CD1-CD1 3.85Å; F82-L86 HydrophobicContact CD1-CG 4.32Å; F82-L86 HydrophobicContact CE1-CD1 3.33Å; F82-L86 HydrophobicContact CE1-CD2 4.42Å; F82-L86 HydrophobicContact CE1-CG 3.89Å; F82-L86 HydrophobicContact CE2-CD2 4.5Å; F82-L86 HydrophobicContact CE2-CG 4.3Å; F82-L86 HydrophobicContact CZ-CD1 3.77Å; F82-L86 HydrophobicContact CZ-CD2 3.99Å; F82-L86 HydrophobicContact CZ-CG 3.86Å; F82-L86 WeakPolarHBondContact O-CG 3.38Å; F82-L86 PolarHBondContact O-N 3.34Å; E83-L86 PolarHBondContact O-N 3.4Å; L86-M88 VanDerWaalsContact C-N 3.34Å; L86-M88 PolarHBondContact O-N 3.16Å; L86-A89 PolarHBondContact O-N 3.02Å; L86-S90 WeakPolarHBondContact O-CB 3.18Å; L86-S90 PolarHBondContact O-N 3.38Å
87G92.4Very high90.8Very high23 Ų2338.9 Ų38.924%0.23721%0.211CC..Hα-helixtrans-59.4-45.6176.200000111.5E83 D84 S90 V91E83-G87 PolarHBondContact O-N 2.74Å; D84-G87 PolarHBondContact O-N 3Å; G87-S90 WeakPolarHBondContact O-CB 3.42Å; G87-S90 PolarHBondContact O-N 3.31Å; G87-V91 WeakPolarHBondContact O-CG2 3.37Å; G87-V91 PolarHBondContact O-N 3.44Å
88M93Very high90.9Very high0 Ų033.7 Ų33.70%020%0.196CC..Hα-helixtrans-57.3-54.5173.3-173.5179.364.800111.4V55 L61 I70 F74 D84 V85 L86 S90 V91 F92 F182V55-M88 HydrophobicContact CG1-CE 3.81Å; V55-M88 HydrophobicContact CG1-SD 4.3Å; L61-M88 HydrophobicContact CD1-CE 4.36Å; L61-M88 HydrophobicContact CD1-SD 4.29Å; I70-M88 HydrophobicContact CG2-CG 4.34Å; I70-M88 HydrophobicContact CG2-SD 3.88Å; F74-M88 HydrophobicContact CB-CB 4.16Å; F74-M88 HydrophobicContact CB-CG 4.41Å; F74-M88 HydrophobicContact CD1-CB 3.7Å; F74-M88 HydrophobicContact CD1-CG 4.29Å; F74-M88 HydrophobicContact CD2-CB 4.1Å; F74-M88 HydrophobicContact CD2-CG 3.76Å; F74-M88 HydrophobicContact CD2-SD 4.39Å; F74-M88 HydrophobicContact CE1-CB 4.06Å; F74-M88 HydrophobicContact CE2-CB 4.43Å; F74-M88 HydrophobicContact CE2-CG 4.03Å; F74-M88 HydrophobicContact CG-CB 3.72Å; F74-M88 HydrophobicContact CG-CG 3.9Å; F74-M88 HydrophobicContact CZ-CB 4.4Å; F74-M88 HydrophobicContact CZ-CG 4.4Å; D84-M88 WeakPolarHBondContact O-CB 3.38Å; D84-M88 PolarHBondContact O-N 3.11Å; V85-M88 PolarHBondContact O-N 2.73Å; L86-M88 VanDerWaalsContact C-N 3.34Å; L86-M88 PolarHBondContact O-N 3.16Å; M88-S90 VanDerWaalsContact C-N 3.26Å; M88-S90 PolarHBondContact O-N 2.78Å; M88-V91 PolarHBondContact O-N 3.36Å; M88-F92 HydrophobicContact CG-CD2 4.14Å; M88-F92 HydrophobicContact CG-CE2 4.01Å; M88-F92 WeakPolarHBondContact O-CD2 3.4Å; M88-F92 PolarHBondContact O-N 2.99Å; M88-F182 HydrophobicContact CE-CD1 4.12Å; M88-F182 HydrophobicContact CE-CE1 3.67Å; M88-F182 HydrophobicContact CE-CZ 4.17Å; M88-F182 HydrophobicContact CG-CE1 4.38Å; M88-F182 HydrophobicContact CG-CZ 3.95Å; M88-F182 HydrophobicContact SD-CE1 4.01Å; M88-F182 HydrophobicContact SD-CZ 4.13Å
89A91.6Very high91Very high5 Ų535.6 Ų35.64%0.04121%0.205CC..Hα-helixtrans-59.9-38.1179.200000112.6L23 I31 V85 L86 F92 S93 W183L23-A89 HydrophobicContact CD1-CB 4.09Å; L23-A89 HydrophobicContact CD2-CB 4.33Å; I31-A89 HydrophobicContact CD1-CB 3.59Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 3.08Å; L86-A89 PolarHBondContact O-N 3.02Å; A89-F92 PolarHBondContact O-N 3.29Å; A89-S93 PolarHBondContact O-N 3.16Å; A89-S93 VanDerWaalsContact O-N 3.08Å; A89-W183 HydrophobicContact CB-CZ2 4.32Å
90S92.9Very high90.9Very high8 Ų835 Ų356%0.05620%0.2CC..Hα-helixtrans-61.9-46.5178.7-174.20000111.4T21 F22 L86 G87 M88 F92 S93 A96T21-S90 WeakPolarHBondContact CB-OG 3.29Å; F22-S90 WeakPolarHBondContact CD2-OG 3.29Å; F22-S90 PolarHBondContact N-OG 3.4Å; L86-S90 WeakPolarHBondContact O-CB 3.18Å; L86-S90 PolarHBondContact O-N 3.38Å; G87-S90 WeakPolarHBondContact O-CB 3.42Å; G87-S90 PolarHBondContact O-N 3.31Å; M88-S90 VanDerWaalsContact C-N 3.26Å; M88-S90 PolarHBondContact O-N 2.78Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-F92 PolarHBondContact O-N 3.31Å; S90-S93 WeakPolarHBondContact O-CB 3.4Å; S90-S93 PolarHBondContact O-N 2.94Å; S90-S93 VanDerWaalsContact O-N 3.16Å; S90-A96 WeakPolarHBondContact O-CB 3.21Å
91V92.6Very high90.8Very high3 Ų335.1 Ų35.12%0.01820%0.201CC..Hα-helixtrans-62.1-39.6179.81680000112.3F74 G87 M88 S93 L100 K101 Y104 F178F74-V91 HydrophobicContact CE1-CB 4.26Å; F74-V91 HydrophobicContact CE1-CG2 3.85Å; F74-V91 HydrophobicContact CZ-CB 3.8Å; F74-V91 HydrophobicContact CZ-CG1 4.01Å; F74-V91 HydrophobicContact CZ-CG2 3.8Å; G87-V91 WeakPolarHBondContact O-CG2 3.37Å; G87-V91 PolarHBondContact O-N 3.44Å; M88-V91 PolarHBondContact O-N 3.36Å; V91-S93 VanDerWaalsContact C-N 3.31Å; V91-L100 HydrophobicContact CG2-CD2 4.15Å; V91-L100 HydrophobicContact CG2-CG 4.18Å; V91-K101 WeakPolarHBondContact O-CE 3.49Å; V91-Y104 HydrophobicContact CB-CD2 4.44Å; V91-Y104 HydrophobicContact CB-CG 4.49Å; V91-Y104 HydrophobicContact CG1-CD2 4.03Å; V91-Y104 HydrophobicContact CG1-CG 3.84Å; V91-Y104 HydrophobicContact CG2-CD1 4.36Å; V91-Y104 HydrophobicContact CG2-CD2 3.51Å; V91-Y104 HydrophobicContact CG2-CE1 4.41Å; V91-Y104 HydrophobicContact CG2-CE2 3.57Å; V91-Y104 HydrophobicContact CG2-CG 3.91Å; V91-F178 HydrophobicContact CG1-CE1 3.96Å
92F90.3Very high90.7Very high7 Ų734 Ų343%0.03119%0.192CC..Hα-helixtrans-84.2-4.2179.8-69.9-70.1000113.9I70 F74 M88 A89 S90 I108 F178 I180 F182I70-F92 HydrophobicContact CD1-CZ 4.02Å; I70-F92 HydrophobicContact CG1-CZ 4.11Å; I70-F92 HydrophobicContact CG2-CE2 3.88Å; I70-F92 HydrophobicContact CG2-CZ 4.09Å; F74-F92 AromaticContact CE2-CE2 3.89Å; F74-F92 HydrophobicContact CE2-CE2 3.89Å; F74-F92 HydrophobicContact CE2-CZ 4.46Å; F74-F92 HydrophobicContact CZ-CE2 4.38Å; M88-F92 HydrophobicContact CG-CD2 4.14Å; M88-F92 HydrophobicContact CG-CE2 4.01Å; M88-F92 WeakPolarHBondContact O-CD2 3.4Å; M88-F92 PolarHBondContact O-N 2.99Å; A89-F92 PolarHBondContact O-N 3.29Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-F92 PolarHBondContact O-N 3.31Å; F92-I108 HydrophobicContact CZ-CD1 4.18Å; F92-F178 AromaticContact CD1-CD1 3.96Å; F92-F178 HydrophobicContact CD1-CD1 3.96Å; F92-F178 AromaticContact CD1-CE1 3.86Å; F92-F178 HydrophobicContact CD1-CE1 3.86Å; F92-F178 HydrophobicContact CD1-CZ 4.45Å; F92-F178 AromaticContact CE1-CD1 3.93Å; F92-F178 HydrophobicContact CE1-CD1 3.93Å; F92-F178 AromaticContact CE1-CE1 3.49Å; F92-F178 HydrophobicContact CE1-CE1 3.49Å; F92-F178 VanDerWaalsContact CE1-CE1 3.49Å; F92-F178 HydrophobicContact CE1-CE2 4.18Å; F92-F178 HydrophobicContact CE1-CG 4.48Å; F92-F178 AromaticContact CE1-CZ 3.64Å; F92-F178 HydrophobicContact CE1-CZ 3.64Å; F92-F178 HydrophobicContact CZ-CE1 4.19Å; F92-F178 HydrophobicContact CZ-CZ 4.12Å; F92-I180 HydrophobicContact CB-CB 4.1Å; F92-I180 HydrophobicContact CD1-CB 4.16Å; F92-I180 HydrophobicContact CD1-CD1 3.77Å; F92-I180 HydrophobicContact CD1-CG1 3.73Å; F92-I180 HydrophobicContact CD2-CD1 4.41Å; F92-I180 HydrophobicContact CE1-CD1 3.61Å; F92-I180 HydrophobicContact CE1-CG1 4.06Å; F92-I180 HydrophobicContact CE2-CD1 4.28Å; F92-I180 HydrophobicContact CG-CB 4.09Å; F92-I180 HydrophobicContact CG-CD1 4.18Å; F92-I180 HydrophobicContact CG-CG1 4.15Å; F92-I180 HydrophobicContact CZ-CD1 3.89Å; F92-F182 HydrophobicContact CB-CD2 4.42Å; F92-F182 HydrophobicContact CB-CE2 3.63Å; F92-F182 AromaticContact CD2-CE2 3.31Å; F92-F182 HydrophobicContact CD2-CE2 3.31Å; F92-F182 AromaticContact CD2-CZ 3.42Å; F92-F182 HydrophobicContact CD2-CZ 3.42Å; F92-F182 VanDerWaalsContact CD2-CZ 3.42Å; F92-F182 HydrophobicContact CE2-CE2 4.16Å; F92-F182 AromaticContact CE2-CZ 3.8Å; F92-F182 HydrophobicContact CE2-CZ 3.8Å; F92-F182 AromaticContact CG-CE2 3.66Å; F92-F182 HydrophobicContact CG-CE2 3.66Å; F92-F182 HydrophobicContact CG-CZ 4.1Å
93S88.7Confident90.8Very high12 Ų1237.2 Ų37.28%0.08421%0.207CC..SBendtrans-59.2149.5174.8179.10000111.2F22 A89 S90 V91 Q95 A96 K101F22-S93 PolarHBondContact O-OG 2.9Å; A89-S93 PolarHBondContact O-N 3.16Å; A89-S93 VanDerWaalsContact O-N 3.08Å; S90-S93 WeakPolarHBondContact O-CB 3.4Å; S90-S93 PolarHBondContact O-N 2.94Å; S90-S93 VanDerWaalsContact O-N 3.16Å; V91-S93 VanDerWaalsContact C-N 3.31Å; S93-Q95 PolarHBondContact O-N 2.85Å; S93-Q95 PolarHBondContact OG-N 3.1Å; S93-A96 PolarHBondContact O-N 3.18Å; S93-K101 WeakPolarHBondContact O-CE 3.06Å; S93-K101 PolarHBondContact O-NZ 3.32Å
94E85.3Confident90.9Very high110 Ų11033.9 Ų33.951%0.51419%0.19SC..THydrogen-bonded Turntrans-65.8-27.2172.7-54.8-159.4131.900112.4A96 R179E94-A96 VanDerWaalsContact C-N 3.31Å; E94-R179 VanDerWaalsContact CD-NH1 3.28Å; E94-R179 IonicContact OE1-CZ 3.64Å; E94-R179 IonicContact OE1-NH1 3.12Å; E94-R179 PolarHBondContact OE1-NH1 3.03Å; E94-R179 IonicContact OE2-NH1 2.68Å
95Q86.5Confident90.8Very high119 Ų11931.8 Ų31.856%0.55618%0.179SC*.THydrogen-bonded Turntrans-82.8-8.5-177-63.217950.500113.1F22 S93F22-Q95 HydrophobicContact CB-CB 4.06Å; F22-Q95 WeakPolarHBondContact CD1-O 3.47Å; S93-Q95 PolarHBondContact O-N 2.85Å; S93-Q95 PolarHBondContact OG-N 3.1Å
96A88.9Confident90.9Very high7 Ų732.3 Ų32.36%0.05818%0.181CC..SBendtrans-70139.6-17900000112.5F22 S90 S93 E94 K101F22-A96 HydrophobicContact CB-CB 4.27Å; F22-A96 HydrophobicContact CD2-CB 3.78Å; F22-A96 HydrophobicContact CE2-CB 4.37Å; F22-A96 HydrophobicContact CG-CB 4.03Å; S90-A96 WeakPolarHBondContact O-CB 3.21Å; S93-A96 PolarHBondContact O-N 3.18Å; E94-A96 VanDerWaalsContact C-N 3.31Å; A96-K101 HydrophobicContact CB-CG 4.32Å
97C89.3Confident91Very high59 Ų5937.7 Ų37.740%0.39920%0.201SC..  trans-60.1143.1179.4-65.10000111.9S99 L100 K101C97-S99 VanDerWaalsContact C-N 3.35Å; C97-S99 PolarHBondContact O-N 2.95Å; C97-L100 WeakPolarHBondContact O-CB 3.41Å; C97-L100 PolarHBondContact O-N 3.06Å; C97-K101 PolarHBondContact O-N 3.25Å
98P87.6Confident91.1Very high75 Ų7536.8 Ų36.849%0.48719%0.19SC..Hα-helixtrans-54.4-44.7178.3-26.333.4000114.9L100 K101 I102 M175P98-L100 VanDerWaalsContact C-N 3.3Å; P98-L100 PolarHBondContact O-N 2.97Å; P98-K101 PolarHBondContact O-N 3.37Å; P98-K101 VanDerWaalsContact O-N 3.12Å; P98-I102 VanDerWaalsContact O-CG1 3.31Å; P98-I102 WeakPolarHBondContact O-CG1 3.3Å; P98-I102 PolarHBondContact O-N 2.91Å; P98-M175 HydrophobicContact CB-CE 3.72Å; P98-M175 HydrophobicContact CB-SD 3.94Å; P98-M175 HydrophobicContact CG-CE 3.91Å
99S89.4Confident91.2Very high67 Ų6738.3 Ų38.347%0.46920%0.196SC..Hα-helixtrans-57.9-41.9178.950.60000112.6C97 K101 I102 E103C97-S99 VanDerWaalsContact C-N 3.35Å; C97-S99 PolarHBondContact O-N 2.95Å; S99-K101 PolarHBondContact O-N 3.15Å; S99-I102 PolarHBondContact O-N 3.4Å; S99-E103 WeakPolarHBondContact O-CB 3.46Å; S99-E103 PolarHBondContact O-N 2.95Å
100L90.7Very high91.3Very high40 Ų4038.6 Ų38.621%0.20920%0.197CC..Hα-helixtrans-63.9-42.2177-177.566.6000111.6F22 V91 C97 P98 E103 Y104F22-L100 HydrophobicContact CD2-CD2 4.07Å; F22-L100 HydrophobicContact CE2-CD2 3.48Å; F22-L100 VanDerWaalsContact CE2-CD2 3.48Å; F22-L100 HydrophobicContact CZ-CD2 4.46Å; V91-L100 HydrophobicContact CG2-CD2 4.15Å; V91-L100 HydrophobicContact CG2-CG 4.18Å; C97-L100 WeakPolarHBondContact O-CB 3.41Å; C97-L100 PolarHBondContact O-N 3.06Å; P98-L100 VanDerWaalsContact C-N 3.3Å; P98-L100 PolarHBondContact O-N 2.97Å; L100-E103 PolarHBondContact O-N 2.93Å; L100-Y104 HydrophobicContact CD1-CD2 3.82Å; L100-Y104 HydrophobicContact CD1-CE2 3.65Å; L100-Y104 HydrophobicContact CG-CD2 4.24Å; L100-Y104 HydrophobicContact CG-CE2 4.42Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; L100-Y104 PolarHBondContact O-N 2.95Å; L100-Y104 VanDerWaalsContact O-N 3.14Å
101K91Very high91.3Very high2 Ų239 Ų391%0.00920%0.198CC..Hα-helixtrans-64.1-43.9177.9-63.5-157.7-178.8-167.10111.6V91 S93 A96 C97 P98 S99 Y104 A105 M175 F178V91-K101 WeakPolarHBondContact O-CE 3.49Å; S93-K101 WeakPolarHBondContact O-CE 3.06Å; S93-K101 PolarHBondContact O-NZ 3.32Å; A96-K101 HydrophobicContact CB-CG 4.32Å; C97-K101 PolarHBondContact O-N 3.25Å; P98-K101 PolarHBondContact O-N 3.37Å; P98-K101 VanDerWaalsContact O-N 3.12Å; S99-K101 PolarHBondContact O-N 3.15Å; K101-Y104 PolarHBondContact O-N 2.76Å; K101-A105 VanDerWaalsContact O-CB 3.25Å; K101-A105 WeakPolarHBondContact O-CB 3.19Å; K101-A105 PolarHBondContact O-N 3.45Å; K101-M175 HydrophobicContact CB-CE 4.31Å; K101-M175 HydrophobicContact CB-SD 4.39Å; K101-M175 HydrophobicContact CD-CE 3.66Å; K101-M175 HydrophobicContact CD-SD 4.5Å; K101-M175 HydrophobicContact CG-CE 4.22Å; K101-F178 HydrophobicContact CB-CD1 3.95Å; K101-F178 HydrophobicContact CB-CE1 4.37Å; K101-F178 HydrophobicContact CD-CD1 4.06Å; K101-F178 HydrophobicContact CG-CD1 4.27Å; K101-F178 PolarHBondContact NZ-O 3.17Å; K101-F178 VanDerWaalsContact NZ-O 3.08Å
102I92.1Very high91.2Very high9 Ų942.3 Ų42.35%0.04622%0.216CC..Hα-helixtrans-61.9-44.3178.2-68.3169.2000110.4P98 S99 Y104 A105 F106 F161 F164 E165 M168 F174P98-I102 VanDerWaalsContact O-CG1 3.31Å; P98-I102 WeakPolarHBondContact O-CG1 3.3Å; P98-I102 PolarHBondContact O-N 2.91Å; S99-I102 PolarHBondContact O-N 3.4Å; I102-Y104 PolarHBondContact O-N 3.2Å; I102-A105 PolarHBondContact O-N 3.07Å; I102-F106 WeakPolarHBondContact O-CB 3.31Å; I102-F106 PolarHBondContact O-N 3.43Å; I102-F161 HydrophobicContact CG2-CE2 4.19Å; I102-F164 HydrophobicContact CG2-CD1 3.9Å; I102-F164 HydrophobicContact CG2-CE1 4.01Å; I102-E165 HydrophobicContact CD1-CG 4.36Å; I102-E165 HydrophobicContact CG2-CB 3.97Å; I102-E165 HydrophobicContact CG2-CG 4.18Å; I102-M168 HydrophobicContact CD1-CB 3.98Å; I102-M168 HydrophobicContact CG1-CB 3.95Å; I102-F174 HydrophobicContact CG1-CE1 4.33Å
103E93.1Very high91.3Very high69 Ų6947.1 Ų47.132%0.32224%0.238SC..Hα-helixtrans-57.1-48.6176.4-172.4-172.416100112.4S99 L100 F106 R107 F161S99-E103 WeakPolarHBondContact O-CB 3.46Å; S99-E103 PolarHBondContact O-N 2.95Å; L100-E103 PolarHBondContact O-N 2.93Å; E103-F106 PolarHBondContact O-N 3.39Å; E103-R107 PolarHBondContact O-N 3.04Å; E103-R107 IonicContact OE1-CZ 3.56Å; E103-R107 IonicContact OE1-NH1 3.49Å; E103-R107 IonicContact OE1-NH2 2.7Å; E103-R107 PolarHBondContact OE1-NH2 3.45Å; E103-F161 HydrophobicContact CB-CE2 4.28Å; E103-F161 HydrophobicContact CB-CZ 4.38Å
104Y93.9Very high91.4Very high49 Ų4949.8 Ų49.819%0.19225%0.252CS..Hα-helixtrans-72.2-34.5179.5-87.4-86.7000113V73 F74 V91 L100 K101 I102 F106 R107 I108V73-Y104 HydrophobicContact CG1-CD1 3.74Å; V73-Y104 HydrophobicContact CG1-CE1 4.01Å; F74-Y104 HydrophobicContact CD1-CD1 4.42Å; F74-Y104 AromaticContact CD1-CE1 3.84Å; F74-Y104 HydrophobicContact CD1-CE1 3.84Å; F74-Y104 AromaticContact CE1-CD1 3.56Å; F74-Y104 HydrophobicContact CE1-CD1 3.56Å; F74-Y104 AromaticContact CE1-CE1 3.16Å; F74-Y104 HydrophobicContact CE1-CE1 3.16Å; F74-Y104 HydrophobicContact CE1-CG 4.4Å; F74-Y104 AromaticContact CE1-CZ 3.76Å; F74-Y104 AromaticContact CE2-CD1 3.76Å; F74-Y104 HydrophobicContact CE2-CD1 3.76Å; F74-Y104 HydrophobicContact CE2-CE1 4.15Å; F74-Y104 AromaticContact CZ-CD1 3.17Å; F74-Y104 HydrophobicContact CZ-CD1 3.17Å; F74-Y104 AromaticContact CZ-CE1 3.36Å; F74-Y104 HydrophobicContact CZ-CE1 3.36Å; F74-Y104 AromaticContact CZ-CG 3.87Å; F74-Y104 HydrophobicContact CZ-CG 3.87Å; V91-Y104 HydrophobicContact CB-CD2 4.44Å; V91-Y104 HydrophobicContact CB-CG 4.49Å; V91-Y104 HydrophobicContact CG1-CD2 4.03Å; V91-Y104 HydrophobicContact CG1-CG 3.84Å; V91-Y104 HydrophobicContact CG2-CD1 4.36Å; V91-Y104 HydrophobicContact CG2-CD2 3.51Å; V91-Y104 HydrophobicContact CG2-CE1 4.41Å; V91-Y104 HydrophobicContact CG2-CE2 3.57Å; V91-Y104 HydrophobicContact CG2-CG 3.91Å; L100-Y104 HydrophobicContact CD1-CD2 3.82Å; L100-Y104 HydrophobicContact CD1-CE2 3.65Å; L100-Y104 HydrophobicContact CG-CD2 4.24Å; L100-Y104 HydrophobicContact CG-CE2 4.42Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; L100-Y104 PolarHBondContact O-N 2.95Å; L100-Y104 VanDerWaalsContact O-N 3.14Å; K101-Y104 PolarHBondContact O-N 2.76Å; I102-Y104 PolarHBondContact O-N 3.2Å; Y104-F106 VanDerWaalsContact C-N 3.34Å; Y104-R107 PolarHBondContact O-N 2.97Å; Y104-I108 WeakPolarHBondContact O-CD1 3.35Å; Y104-I108 VanDerWaalsContact O-CG1 3.29Å; Y104-I108 WeakPolarHBondContact O-CG1 3.21Å; Y104-I108 PolarHBondContact O-N 3.46Å
105A93.3Very high91.8Very high0 Ų046.3 Ų46.30%025%0.245CC..Hα-helixtrans-61.1-45173.600000111.7K101 I102 R107 I108 Y109 F164 F174 F178K101-A105 VanDerWaalsContact O-CB 3.25Å; K101-A105 WeakPolarHBondContact O-CB 3.19Å; K101-A105 PolarHBondContact O-N 3.45Å; I102-A105 PolarHBondContact O-N 3.07Å; A105-R107 VanDerWaalsContact C-N 3.32Å; A105-R107 PolarHBondContact O-N 3.45Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-I108 VanDerWaalsContact O-N 3.1Å; A105-Y109 HydrophobicContact CB-CE2 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.17Å; A105-Y109 WeakPolarHBondContact O-CD2 3.28Å; A105-Y109 VanDerWaalsContact O-CG 3.29Å; A105-Y109 PolarHBondContact O-N 3.37Å; A105-F164 HydrophobicContact CB-CE1 4.17Å; A105-F164 HydrophobicContact CB-CZ 4.23Å; A105-F174 HydrophobicContact CB-CE1 4.22Å; A105-F174 HydrophobicContact CB-CE2 4.41Å; A105-F174 HydrophobicContact CB-CZ 3.47Å; A105-F174 VanDerWaalsContact CB-CZ 3.47Å; A105-F178 HydrophobicContact CB-CD2 4.01Å; A105-F178 HydrophobicContact CB-CE2 3.46Å; A105-F178 VanDerWaalsContact CB-CE2 3.46Å; A105-F178 HydrophobicContact CB-CZ 3.77Å
106F94.4Very high92.2Very high13 Ų1344.5 Ų44.56%0.05724%0.236CC..Hα-helixtrans-55-48.9174.9-174.7-94.3000111I102 E103 Y104 I108 Y109 D110 G115 I117 F161 F164I102-F106 WeakPolarHBondContact O-CB 3.31Å; I102-F106 PolarHBondContact O-N 3.43Å; E103-F106 PolarHBondContact O-N 3.39Å; Y104-F106 VanDerWaalsContact C-N 3.34Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.94Å; F106-Y109 PolarHBondContact O-N 3.28Å; F106-Y109 VanDerWaalsContact O-N 3.16Å; F106-D110 WeakPolarHBondContact O-CB 3.33Å; F106-D110 PolarHBondContact O-N 3.29Å; F106-G115 VanDerWaalsContact CZ-O 3.26Å; F106-G115 WeakPolarHBondContact CZ-O 3.42Å; F106-I117 HydrophobicContact CD2-CD1 3.58Å; F106-I117 HydrophobicContact CD2-CG1 3.94Å; F106-I117 HydrophobicContact CE2-CD1 3.77Å; F106-I117 HydrophobicContact CE2-CG1 3.66Å; F106-I117 HydrophobicContact CG-CD1 4.46Å; F106-I117 HydrophobicContact CZ-CG1 4.26Å; F106-F161 HydrophobicContact CB-CD2 4.05Å; F106-F161 HydrophobicContact CB-CE2 4.33Å; F106-F161 HydrophobicContact CD1-CD2 4.14Å; F106-F161 HydrophobicContact CD2-CD2 4.17Å; F106-F161 HydrophobicContact CE1-CB 4.43Å; F106-F161 HydrophobicContact CE2-CB 4.37Å; F106-F161 AromaticContact CG-CD2 3.85Å; F106-F161 HydrophobicContact CG-CD2 3.85Å; F106-F161 HydrophobicContact CZ-CB 4.27Å; F106-F164 HydrophobicContact CB-CD1 3.89Å; F106-F164 HydrophobicContact CB-CE1 4Å; F106-F164 HydrophobicContact CD2-CB 3.7Å; F106-F164 AromaticContact CD2-CD1 3.72Å; F106-F164 HydrophobicContact CD2-CD1 3.72Å; F106-F164 HydrophobicContact CD2-CD2 4.38Å; F106-F164 HydrophobicContact CD2-CE1 4.46Å; F106-F164 AromaticContact CD2-CG 3.67Å; F106-F164 HydrophobicContact CD2-CG 3.67Å; F106-F164 HydrophobicContact CE2-CB 4.02Å; F106-F164 HydrophobicContact CE2-CG 4.4Å; F106-F164 HydrophobicContact CG-CD1 4.3Å
107R94.5Very high92.5Very high115 Ų11544.2 Ų44.243%0.43423%0.233SC..Hα-helixtrans-63.4-31.1177.3-68.4-177.9-178.5164.69.8114.3V73 E103 Y104 A105V73-R107 HydrophobicContact CG1-CB 3.99Å; V73-R107 HydrophobicContact CG2-CB 4.06Å; V73-R107 WeakPolarHBondContact CG2-O 3.44Å; E103-R107 PolarHBondContact O-N 3.04Å; E103-R107 IonicContact OE1-CZ 3.56Å; E103-R107 IonicContact OE1-NH1 3.49Å; E103-R107 IonicContact OE1-NH2 2.7Å; E103-R107 PolarHBondContact OE1-NH2 3.45Å; Y104-R107 PolarHBondContact O-N 2.97Å; A105-R107 VanDerWaalsContact C-N 3.32Å; A105-R107 PolarHBondContact O-N 3.45Å
108I94.5Very high92.6Very high3 Ų342.2 Ų42.22%0.01522%0.218CC..Hα-helixtrans-72.4-37.3176.9-74.3161.3000110.4F66 R69 I70 V73 F92 Y104 A105 F106 F178F66-I108 HydrophobicContact CB-CG2 3.98Å; F66-I108 HydrophobicContact CD1-CG2 4.42Å; F66-I108 HydrophobicContact CG-CG2 4.36Å; R69-I108 HydrophobicContact CB-CG2 3.91Å; R69-I108 WeakPolarHBondContact CB-O 3.43Å; R69-I108 PolarHBondContact NE-O 3.02Å; I70-I108 HydrophobicContact CG1-CD1 3.83Å; I70-I108 HydrophobicContact CG1-CG1 4.28Å; I70-I108 HydrophobicContact CG1-CG2 4.42Å; V73-I108 HydrophobicContact CB-CG1 4.33Å; V73-I108 HydrophobicContact CG2-CG1 3.98Å; F92-I108 HydrophobicContact CZ-CD1 4.18Å; Y104-I108 WeakPolarHBondContact O-CD1 3.35Å; Y104-I108 VanDerWaalsContact O-CG1 3.29Å; Y104-I108 WeakPolarHBondContact O-CG1 3.21Å; Y104-I108 PolarHBondContact O-N 3.46Å; A105-I108 PolarHBondContact O-N 2.85Å; A105-I108 VanDerWaalsContact O-N 3.1Å; F106-I108 VanDerWaalsContact C-N 3.29Å; F106-I108 PolarHBondContact O-N 2.94Å; I108-F178 HydrophobicContact CD1-CE2 4.29Å; I108-F178 HydrophobicContact CD1-CZ 3.82Å
109Y93.9Very high92.8Very high32 Ų3242 Ų4213%0.12521%0.211CC..Hα-helixtrans-83.4-30.3-176.3-70.8-19.1000114.5F66 A105 F106 F111 I125 F164 F174F66-Y109 HydrophobicContact CD1-CD1 4.38Å; F66-Y109 HydrophobicContact CD1-CE1 4.27Å; F66-Y109 HydrophobicContact CD2-CE1 4.49Å; F66-Y109 HydrophobicContact CE1-CD1 4.13Å; F66-Y109 AromaticContact CE1-CE1 3.98Å; F66-Y109 HydrophobicContact CE1-CE1 3.98Å; F66-Y109 HydrophobicContact CE2-CE1 4.23Å; F66-Y109 AromaticContact CZ-CE1 3.97Å; F66-Y109 HydrophobicContact CZ-CE1 3.97Å; A105-Y109 HydrophobicContact CB-CE2 4.33Å; A105-Y109 WeakPolarHBondContact O-CB 3.17Å; A105-Y109 WeakPolarHBondContact O-CD2 3.28Å; A105-Y109 VanDerWaalsContact O-CG 3.29Å; A105-Y109 PolarHBondContact O-N 3.37Å; F106-Y109 PolarHBondContact O-N 3.28Å; F106-Y109 VanDerWaalsContact O-N 3.16Å; Y109-F111 WeakPolarHBondContact O-CD2 3.41Å; Y109-F111 WeakPolarHBondContact O-CE2 3.3Å; Y109-F111 PolarHBondContact O-N 3.4Å; Y109-I125 HydrophobicContact CD1-CD1 3.94Å; Y109-I125 HydrophobicContact CD1-CG1 3.92Å; Y109-I125 HydrophobicContact CD1-CG2 4.44Å; Y109-I125 HydrophobicContact CD2-CD1 4.33Å; Y109-I125 HydrophobicContact CE1-CG2 4.35Å; Y109-I125 HydrophobicContact CG-CD1 3.68Å; Y109-I125 HydrophobicContact CG-CG1 4.19Å; Y109-F164 AromaticContact CD2-CE2 3.82Å; Y109-F164 HydrophobicContact CD2-CE2 3.82Å; Y109-F164 AromaticContact CD2-CZ 3.64Å; Y109-F164 HydrophobicContact CD2-CZ 3.64Å; Y109-F164 HydrophobicContact CE2-CE2 4.27Å; Y109-F164 AromaticContact CE2-CZ 3.91Å; Y109-F164 HydrophobicContact CE2-CZ 3.91Å; Y109-F174 HydrophobicContact CE2-CE2 4.14Å
110D94.9Very high92.9Very high12 Ų1244.5 Ų44.56%0.06422%0.215CC..  trans-70.7101.2167.7173.40.3000108.7R69 F106 N112 E113 N114 G115 D121R69-D110 PolarHBondContact NH2-O 2.91Å; F106-D110 WeakPolarHBondContact O-CB 3.33Å; F106-D110 PolarHBondContact O-N 3.29Å; D110-N112 PolarHBondContact OD1-N 2.88Å; D110-N112 PolarHBondContact OD1-OD1 3.32Å; D110-E113 WeakPolarHBondContact OD1-CA 3.47Å; D110-E113 PolarHBondContact OD1-N 3.03Å; D110-E113 WeakPolarHBondContact OD2-CA 3.41Å; D110-N114 PolarHBondContact OD1-N 3.36Å; D110-N114 PolarHBondContact OD2-N 3.39Å; D110-G115 WeakPolarHBondContact OD2-CA 3.49Å; D110-G115 PolarHBondContact OD2-N 3.03Å; D110-D121 WeakPolarHBondContact CA-OD2 3.29Å
111F92.4Very high93.1Very high16 Ų1642.6 Ų42.67%0.0721%0.205CC..SBendtrans-81.6-34.3-176.2-70.9-106.1000112.4F66 R69 Y109 E113 D121 R124 I125F66-F111 HydrophobicContact CD1-CZ 4.29Å; F66-F111 HydrophobicContact CE1-CZ 4.29Å; R69-F111 VanDerWaalsContact CD-CD1 3.49Å; R69-F111 HydrophobicContact CG-CD1 3.92Å; R69-F111 HydrophobicContact CG-CE1 3.44Å; R69-F111 VanDerWaalsContact CG-CE1 3.44Å; R69-F111 HydrophobicContact CG-CZ 3.96Å; R69-F111 PolarHBondContact NH1-O 3.27Å; Y109-F111 WeakPolarHBondContact O-CD2 3.41Å; Y109-F111 WeakPolarHBondContact O-CE2 3.3Å; Y109-F111 PolarHBondContact O-N 3.4Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-D121 WeakPolarHBondContact CB-OD1 3.36Å; F111-D121 HydrophobicContact CD2-CB 4.21Å; F111-D121 WeakPolarHBondContact CD2-OD1 3.42Å; F111-D121 PolarHBondContact N-OD1 2.95Å; F111-D121 PolarHBondContact N-OD2 3.48Å; F111-R124 HydrophobicContact CD2-CB 4.34Å; F111-R124 HydrophobicContact CE2-CB 4.01Å; F111-R124 HydrophobicContact CZ-CB 4.23Å; F111-I125 HydrophobicContact CE2-CG1 3.93Å
112N91.3Very high93.1Very high72 Ų7243.1 Ų43.139%0.38521%0.208SC..SBendtrans-88.4-4.5-174.966.921.2000113D110 N114 D118D110-N112 PolarHBondContact OD1-N 2.88Å; D110-N112 PolarHBondContact OD1-OD1 3.32Å; N112-N114 PolarHBondContact ND2-ND2 3.37Å; N112-N114 PolarHBondContact O-N 2.9Å; N112-N114 VanDerWaalsContact OD1-CB 3.24Å; N112-N114 WeakPolarHBondContact OD1-CB 3.32Å; N112-N114 PolarHBondContact OD1-N 2.71Å; N112-N114 VanDerWaalsContact OD1-N 3.1Å; N112-N114 PolarHBondContact OD1-ND2 3.43Å; N112-N114 PolarHBondContact OD1-OD1 3.28Å; N112-D118 PolarHBondContact ND2-OD2 3.06Å
113E90.7Very high93Very high108 Ų10844.9 Ų44.951%0.50522%0.216SC..  trans6032.9177.3-62.3169-164.300112.6R69 R72 D110 F111R69-E113 IonicContact NH1-OE1 2.85Å; R69-E113 IonicContact NH2-OE1 3.98Å; R72-E113 IonicContact CZ-OE1 3.34Å; R72-E113 IonicContact NE-OE1 2.76Å; R72-E113 PolarHBondContact NE-OE1 2.94Å; R72-E113 IonicContact NH2-OE1 3.58Å; R72-E113 PolarHBondContact NH2-OE1 2.78Å; R72-E113 IonicContact NH2-OE2 3.98Å; R72-E113 PolarHBondContact NH2-OE2 3.41Å; D110-E113 WeakPolarHBondContact OD1-CA 3.47Å; D110-E113 PolarHBondContact OD1-N 3.03Å; D110-E113 WeakPolarHBondContact OD2-CA 3.41Å; F111-E113 VanDerWaalsContact C-N 3.34Å
114N91.6Very high92.9Very high69 Ų6946.8 Ų46.837%0.36922%0.22SC..SBendtrans-87-7.3179.974.95.9000112.9D110 N112 F116D110-N114 PolarHBondContact OD1-N 3.36Å; D110-N114 PolarHBondContact OD2-N 3.39Å; N112-N114 PolarHBondContact ND2-ND2 3.37Å; N112-N114 PolarHBondContact O-N 2.9Å; N112-N114 VanDerWaalsContact OD1-CB 3.24Å; N112-N114 WeakPolarHBondContact OD1-CB 3.32Å; N112-N114 PolarHBondContact OD1-N 2.71Å; N112-N114 VanDerWaalsContact OD1-N 3.1Å; N112-N114 PolarHBondContact OD1-ND2 3.43Å; N112-N114 PolarHBondContact OD1-OD1 3.28Å; N114-F116 WeakPolarHBondContact O-CD2 3.4Å; N114-F116 WeakPolarHBondContact OD1-CA 3.46Å; N114-F116 WeakPolarHBondContact OD1-CB 2.98Å; N114-F116 PolarHBondContact OD1-N 3.17Å; N114-F116 PolarHBondContact OD1-O 3.2Å
115G93.6Very high92.8Very high36 Ų3645.2 Ų45.237%0.37122%0.215SC..SBendtrans86.711.8-178.200000114.7F106 D110F106-G115 VanDerWaalsContact CZ-O 3.26Å; F106-G115 WeakPolarHBondContact CZ-O 3.42Å; D110-G115 WeakPolarHBondContact OD2-CA 3.49Å; D110-G115 PolarHBondContact OD2-N 3.03Å
116F94.8Very high92.6Very high82 Ų8246.4 Ų46.436%0.3622%0.221SC..SBendtrans-137.4151.3178.5-60-90.8000109.1N114 M158 L159N114-F116 WeakPolarHBondContact O-CD2 3.4Å; N114-F116 WeakPolarHBondContact OD1-CA 3.46Å; N114-F116 WeakPolarHBondContact OD1-CB 2.98Å; N114-F116 PolarHBondContact OD1-N 3.17Å; N114-F116 PolarHBondContact OD1-O 3.2Å; F116-M158 HydrophobicContact CB-CB 4.24Å; F116-M158 HydrophobicContact CB-SD 4.36Å; F116-L159 WeakPolarHBondContact CA-O 3.33Å
117I94.8Very high92.3Very high1 Ų148 Ų481%0.00523%0.23CC..BIsolated β-bridgetrans-99.6101.4168-56.6170.2000106.6F106 D121 L122 I125 L159 F164F106-I117 HydrophobicContact CD2-CD1 3.58Å; F106-I117 HydrophobicContact CD2-CG1 3.94Å; F106-I117 HydrophobicContact CE2-CD1 3.77Å; F106-I117 HydrophobicContact CE2-CG1 3.66Å; F106-I117 HydrophobicContact CG-CD1 4.46Å; F106-I117 HydrophobicContact CZ-CG1 4.26Å; I117-D121 HydrophobicContact CG2-CB 3.86Å; I117-L122 HydrophobicContact CG2-CD2 3.74Å; I117-L122 HydrophobicContact CG2-CG 3.81Å; I117-I125 HydrophobicContact CG2-CD1 4.13Å; I117-L159 HydrophobicContact CB-CB 4.24Å; I117-L159 PolarHBondContact N-O 2.85Å; I117-L159 PolarHBondContact O-N 3.34Å; I117-F164 HydrophobicContact CD1-CD2 3.49Å; I117-F164 VanDerWaalsContact CD1-CD2 3.49Å; I117-F164 HydrophobicContact CD1-CE2 3.75Å; I117-F164 HydrophobicContact CD1-CG 4.06Å; I117-F164 HydrophobicContact CD1-CZ 4.5Å
118D93.1Very high92.1Very high17 Ų1745.8 Ų45.89%0.09122%0.221CC..  trans-85.3179.7178.662.736.3000112.4N112 E120 D121 L122 M158N112-D118 PolarHBondContact ND2-OD2 3.06Å; D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.25Å; D118-E120 WeakPolarHBondContact OD1-CB 3.38Å; D118-E120 PolarHBondContact OD1-N 3.03Å; D118-D121 PolarHBondContact O-N 3.1Å; D118-D121 PolarHBondContact OD1-N 3.37Å; D118-L122 PolarHBondContact O-N 3.42Å; D118-M158 HydrophobicContact CB-CE 4.18Å; D118-M158 HydrophobicContact CB-CG 4.02Å; D118-M158 HydrophobicContact CB-SD 4.27Å
119E91.6Very high91.7Very high69 Ų6950.8 Ų50.832%0.32225%0.248SC..Hα-helixtrans-56-42.6178.9-163.3-167.7151.400112.4D121 L122 Q123 M141 T144E119-D121 VanDerWaalsContact C-N 3.33Å; E119-D121 PolarHBondContact O-N 3.45Å; E119-L122 PolarHBondContact O-N 2.9Å; E119-Q123 WeakPolarHBondContact O-CB 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.39Å; E119-Q123 PolarHBondContact O-N 3.44Å; E119-Q123 PolarHBondContact OE1-NE2 2.94Å; E119-M141 VanDerWaalsContact OE1-CE 3.28Å; E119-M141 WeakPolarHBondContact OE1-CE 3.11Å; E119-T144 HydrophobicContact CB-CG2 4.49Å; E119-T144 HydrophobicContact CG-CG2 3.61Å
120E91.5Very high91.1Very high120 Ų12053.7 Ų53.756%0.56127%0.265SS*.Hα-helixtrans-65.7-39.3-179.2-63.9-170.4-174.200111.4D118 R124D118-E120 VanDerWaalsContact C-N 3.3Å; D118-E120 PolarHBondContact O-N 3.25Å; D118-E120 WeakPolarHBondContact OD1-CB 3.38Å; D118-E120 PolarHBondContact OD1-N 3.03Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.18Å; E120-R124 PolarHBondContact O-N 3.48Å; E120-R124 IonicContact OE2-NH2 3.97Å
121D93.8Very high90.3Very high0 Ų060.1 Ų60.10%030%0.299CS..Hα-helixtrans-66.7-46176.7-75.2-15.9000111.6D110 F111 I117 D118 E119 Q123 R124 I125D110-D121 WeakPolarHBondContact CA-OD2 3.29Å; F111-D121 WeakPolarHBondContact CB-OD1 3.36Å; F111-D121 HydrophobicContact CD2-CB 4.21Å; F111-D121 WeakPolarHBondContact CD2-OD1 3.42Å; F111-D121 PolarHBondContact N-OD1 2.95Å; F111-D121 PolarHBondContact N-OD2 3.48Å; I117-D121 HydrophobicContact CG2-CB 3.86Å; D118-D121 PolarHBondContact O-N 3.1Å; D118-D121 PolarHBondContact OD1-N 3.37Å; E119-D121 VanDerWaalsContact C-N 3.33Å; E119-D121 PolarHBondContact O-N 3.45Å; D121-Q123 VanDerWaalsContact C-N 3.35Å; D121-Q123 PolarHBondContact O-N 3.3Å; D121-R124 PolarHBondContact O-N 3.47Å; D121-I125 WeakPolarHBondContact O-CD1 3.35Å; D121-I125 WeakPolarHBondContact O-CG1 3.41Å; D121-I125 PolarHBondContact O-N 3.18Å
122L91.3Very high89.5Confident14 Ų1460.4 Ų60.47%0.07330%0.303CS..Hα-helixtrans-57.9-46.3174.7-74.6177.6000112.2I117 D118 E119 R124 I125 I126 T144 V147 L148 L159I117-L122 HydrophobicContact CG2-CD2 3.74Å; I117-L122 HydrophobicContact CG2-CG 3.81Å; D118-L122 PolarHBondContact O-N 3.42Å; E119-L122 PolarHBondContact O-N 2.9Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.9Å; L122-I125 HydrophobicContact CD2-CD1 4.45Å; L122-I125 WeakPolarHBondContact O-CB 3.43Å; L122-I125 PolarHBondContact O-N 3.38Å; L122-I126 VanDerWaalsContact O-CG1 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.24Å; L122-I126 PolarHBondContact O-N 3.36Å; L122-T144 HydrophobicContact CB-CG2 3.83Å; L122-T144 HydrophobicContact CD1-CG2 4.03Å; L122-V147 HydrophobicContact CD1-CG1 4.23Å; L122-V147 HydrophobicContact CD2-CG1 4.08Å; L122-L148 HydrophobicContact CD1-CD1 4.34Å; L122-L148 HydrophobicContact CD1-CD2 3.62Å; L122-L148 HydrophobicContact CD1-CG 3.7Å; L122-L159 HydrophobicContact CD1-CD1 4.46Å; L122-L159 HydrophobicContact CD2-CD1 4.34Å
123Q90.9Very high88.3Confident46 Ų4664.5 Ų64.522%0.21533%0.325CS..Hα-helixtrans-58.3-45.2177-73.7-176.914.500111.3E119 D121 I125 I126 L127 L140 T144E119-Q123 WeakPolarHBondContact O-CB 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.39Å; E119-Q123 PolarHBondContact O-N 3.44Å; E119-Q123 PolarHBondContact OE1-NE2 2.94Å; D121-Q123 VanDerWaalsContact C-N 3.35Å; D121-Q123 PolarHBondContact O-N 3.3Å; Q123-I125 VanDerWaalsContact C-N 3.35Å; Q123-I125 PolarHBondContact O-N 3.36Å; Q123-I126 PolarHBondContact O-N 3.41Å; Q123-L127 VanDerWaalsContact O-CG 3.29Å; Q123-L127 WeakPolarHBondContact O-CG 3.36Å; Q123-L127 PolarHBondContact O-N 2.98Å; Q123-L140 HydrophobicContact CB-CD1 4.15Å; Q123-L140 HydrophobicContact CB-CD2 4.01Å; Q123-L140 HydrophobicContact CB-CG 4.13Å; Q123-L140 HydrophobicContact CG-CD1 4.23Å; Q123-L140 HydrophobicContact CG-CD2 4.05Å; Q123-L140 HydrophobicContact CG-CG 3.85Å; Q123-T144 HydrophobicContact CG-CG2 4.31Å; Q123-T144 WeakPolarHBondContact CG-OG1 3.39Å
124R91Very high87.1Confident109 Ų10966.9 Ų66.941%0.41134%0.341SS..Hα-helixtrans-63.3-38.8176.5-73.9174.6-175.3169.311.4112.7F111 E120 D121 L122 R128F111-R124 HydrophobicContact CD2-CB 4.34Å; F111-R124 HydrophobicContact CE2-CB 4.01Å; F111-R124 HydrophobicContact CZ-CB 4.23Å; E120-R124 VanDerWaalsContact O-CG 3.3Å; E120-R124 WeakPolarHBondContact O-CG 3.18Å; E120-R124 PolarHBondContact O-N 3.48Å; E120-R124 IonicContact OE2-NH2 3.97Å; D121-R124 PolarHBondContact O-N 3.47Å; L122-R124 VanDerWaalsContact C-N 3.32Å; L122-R124 PolarHBondContact O-N 2.9Å; R124-R128 VanDerWaalsContact O-CB 3.3Å; R124-R128 WeakPolarHBondContact O-CB 3.34Å; R124-R128 VanDerWaalsContact O-CG 3.28Å; R124-R128 WeakPolarHBondContact O-CG 3.5Å; R124-R128 PolarHBondContact O-N 3.34Å
125I90.8Very high86.4Confident15 Ų1566.8 Ų66.88%0.07734%0.34CS..Hα-helixtrans-62.3-49176.3-65.9159.8000109.8F66 Y109 F111 I117 D121 L122 Q123 R128 L129F66-I125 HydrophobicContact CE1-CB 4.47Å; F66-I125 HydrophobicContact CE1-CG1 4.24Å; F66-I125 HydrophobicContact CE1-CG2 4.4Å; F66-I125 HydrophobicContact CZ-CB 4.5Å; F66-I125 HydrophobicContact CZ-CG2 4.03Å; Y109-I125 HydrophobicContact CD1-CD1 3.94Å; Y109-I125 HydrophobicContact CD1-CG1 3.92Å; Y109-I125 HydrophobicContact CD1-CG2 4.44Å; Y109-I125 HydrophobicContact CD2-CD1 4.33Å; Y109-I125 HydrophobicContact CE1-CG2 4.35Å; Y109-I125 HydrophobicContact CG-CD1 3.68Å; Y109-I125 HydrophobicContact CG-CG1 4.19Å; F111-I125 HydrophobicContact CE2-CG1 3.93Å; I117-I125 HydrophobicContact CG2-CD1 4.13Å; D121-I125 WeakPolarHBondContact O-CD1 3.35Å; D121-I125 WeakPolarHBondContact O-CG1 3.41Å; D121-I125 PolarHBondContact O-N 3.18Å; L122-I125 HydrophobicContact CD2-CD1 4.45Å; L122-I125 WeakPolarHBondContact O-CB 3.43Å; L122-I125 PolarHBondContact O-N 3.38Å; Q123-I125 VanDerWaalsContact C-N 3.35Å; Q123-I125 PolarHBondContact O-N 3.36Å; I125-R128 PolarHBondContact O-N 2.69Å; I125-L129 HydrophobicContact CG2-CD1 3.84Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.19Å; I125-L129 PolarHBondContact O-N 2.95Å
126I88.8Confident85.9Confident25 Ų2568.3 Ų68.313%0.12834%0.344CS..Hα-helixtrans-60.3-49.1-179.6-68.3163.8000110.7L122 Q123 R128 L129 L130 L140 L143L122-I126 VanDerWaalsContact O-CG1 3.31Å; L122-I126 WeakPolarHBondContact O-CG1 3.24Å; L122-I126 PolarHBondContact O-N 3.36Å; Q123-I126 PolarHBondContact O-N 3.41Å; I126-R128 VanDerWaalsContact C-N 3.32Å; I126-R128 PolarHBondContact O-N 2.89Å; I126-L129 PolarHBondContact O-N 3.11Å; I126-L130 HydrophobicContact CG2-CD1 3.81Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 3.37Å; I126-L140 HydrophobicContact CB-CD1 4.01Å; I126-L140 HydrophobicContact CG2-CD1 3.81Å; I126-L143 HydrophobicContact CD1-CB 3.99Å; I126-L143 HydrophobicContact CG2-CD1 3.96Å
127L89.6Confident85.5Confident47 Ų4772.4 Ų72.425%0.24637%0.365CS..Hα-helixtrans-58.9-43.3178.2-70.6170.9000112Q123 L130 N131 S132 M135 L140Q123-L127 VanDerWaalsContact O-CG 3.29Å; Q123-L127 WeakPolarHBondContact O-CG 3.36Å; Q123-L127 PolarHBondContact O-N 2.98Å; L127-L130 PolarHBondContact O-N 3.13Å; L127-N131 PolarHBondContact O-N 2.84Å; L127-S132 WeakPolarHBondContact CD2-O 3.45Å; L127-S132 PolarHBondContact O-N 2.86Å; L127-M135 HydrophobicContact CD2-CB 4.08Å; L127-M135 HydrophobicContact CD2-CG 4.37Å; L127-L140 HydrophobicContact CD1-CD2 3.95Å; L127-L140 HydrophobicContact CD2-CD1 4.23Å; L127-L140 HydrophobicContact CD2-CD2 4.19Å; L127-L140 HydrophobicContact CG-CD1 4.01Å; L127-L140 HydrophobicContact CG-CD2 4.1Å
128R89.5Confident85.2Confident68 Ų6878.4 Ų78.426%0.25740%0.397SS..Hα-helixtrans-65.5-38.1177.8-80.6-179.1179.6-137.28.1113.1P65 F66 D68 R124 I125 I126P65-R128 HydrophobicContact CB-CB 4.16Å; P65-R128 WeakPolarHBondContact CB-O 3.28Å; P65-R128 PolarHBondContact O-NH1 2.74Å; F66-R128 HydrophobicContact CE1-CB 3.96Å; F66-R128 HydrophobicContact CE1-CG 4.49Å; F66-R128 HydrophobicContact CZ-CB 3.84Å; D68-R128 IonicContact OD1-CZ 2.7Å; D68-R128 IonicContact OD1-NH1 3.86Å; D68-R128 PolarHBondContact OD1-NH1 3.05Å; D68-R128 IonicContact OD1-NH2 3.06Å; D68-R128 IonicContact OD2-CZ 3.51Å; D68-R128 IonicContact OD2-NH1 2.62Å; D68-R128 PolarHBondContact OD2-NH1 2.98Å; D68-R128 IonicContact OD2-NH2 3.95Å; D68-R128 PolarHBondContact OD2-NH2 3.44Å; R124-R128 VanDerWaalsContact O-CB 3.3Å; R124-R128 WeakPolarHBondContact O-CB 3.34Å; R124-R128 VanDerWaalsContact O-CG 3.28Å; R124-R128 WeakPolarHBondContact O-CG 3.5Å; R124-R128 PolarHBondContact O-N 3.34Å; I125-R128 PolarHBondContact O-N 2.69Å; I126-R128 VanDerWaalsContact C-N 3.32Å; I126-R128 PolarHBondContact O-N 2.89Å
129L85.3Confident84.9Confident108 Ų10881.1 Ų81.157%0.56541%0.411SS*.Hα-helixtrans-71.6-38.1178.2-73.6172.8000112.4F66 I125 I126 N131F66-L129 HydrophobicContact CE2-CD2 3.75Å; F66-L129 HydrophobicContact CE2-CG 4.12Å; F66-L129 HydrophobicContact CZ-CD2 4.2Å; F66-L129 HydrophobicContact CZ-CG 4.04Å; I125-L129 HydrophobicContact CG2-CD1 3.84Å; I125-L129 HydrophobicContact CG2-CG 4.41Å; I125-L129 WeakPolarHBondContact O-CG 3.19Å; I125-L129 PolarHBondContact O-N 2.95Å; I126-L129 PolarHBondContact O-N 3.11Å; L129-N131 VanDerWaalsContact C-N 3.26Å
130L82.9Confident84.8Confident93 Ų9378.7 Ų78.749%0.48740%0.4SS..Hα-helixtrans-78.8-12.8177.8-64.5177.3000112.8I126 L127 S132 M135 L143I126-L130 HydrophobicContact CG2-CD1 3.81Å; I126-L130 HydrophobicContact CG2-CG 4.45Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 3.37Å; L127-L130 PolarHBondContact O-N 3.13Å; L130-S132 PolarHBondContact O-N 2.95Å; L130-M135 HydrophobicContact CD1-CG 4.27Å; L130-M135 HydrophobicContact CD1-SD 4.28Å; L130-L143 HydrophobicContact CD1-CD1 4.49Å
131N78.1Confident84.7Confident147 Ų14776.5 Ų76.579%0.78639%0.391SS*.THydrogen-bonded Turntrans48.641.6-174.9-171.664.8000111.5L127 L129L127-N131 PolarHBondContact O-N 2.84Å; L129-N131 VanDerWaalsContact C-N 3.26Å
132S74.2Confident84.5Confident22 Ų2281.6 Ų81.615%0.15442%0.418CS..  trans-132.7108.1-175.21760000109.7L127 L130 D134 M135L127-S132 WeakPolarHBondContact CD2-O 3.45Å; L127-S132 PolarHBondContact O-N 2.86Å; L130-S132 PolarHBondContact O-N 2.95Å; S132-D134 PolarHBondContact OG-N 2.97Å; S132-M135 WeakPolarHBondContact OG-CE 3.5Å
133D65.9Low84.4Confident159 Ų15984 Ų8485%0.8543%0.431SS*.THydrogen-bonded Turntrans-76.9-11.7169.2-64.8-36.2000111.9
134D65.3Low84.4Confident157 Ų15781.8 Ų81.884%0.8442%0.42SS*.THydrogen-bonded Turntrans-102.727.2-175.1-70.9-34.8000113.6S132S132-D134 PolarHBondContact OG-N 2.97Å
135M77.4Confident84.4Confident67 Ų6780.2 Ų80.233%0.3342%0.42SS..  trans-76.1136.9171.1-72-65.9113.200110L127 L130 S132 L139L127-M135 HydrophobicContact CD2-CB 4.08Å; L127-M135 HydrophobicContact CD2-CG 4.37Å; L130-M135 HydrophobicContact CD1-CG 4.27Å; L130-M135 HydrophobicContact CD1-SD 4.28Å; S132-M135 WeakPolarHBondContact OG-CE 3.5Å; M135-L139 HydrophobicContact SD-CD2 3.79Å
136S84.4Confident84.3Confident68 Ų6884.3 Ų84.348%0.47644%0.439SS..  trans-65.5138.6173.853.90000110.6D138 L139 L140S136-D138 PolarHBondContact O-N 3.15Å; S136-D138 VanDerWaalsContact O-N 3.17Å; S136-L139 PolarHBondContact O-N 3.01Å; S136-L139 WeakPolarHBondContact OG-CB 3.45Å; S136-L140 PolarHBondContact O-N 3.19Å; S136-L140 VanDerWaalsContact O-N 3.12Å
137E85.8Confident84.3Confident168 Ų16885.6 Ų85.679%0.78545%0.447SS*.Hα-helixtrans-51.1-40.6178.1-69178.7-177.500112.1L139 L140 M141E137-L139 PolarHBondContact O-N 2.05Å; E137-L140 PolarHBondContact O-N 3.21Å; E137-M141 VanDerWaalsContact O-CB 3.28Å; E137-M141 WeakPolarHBondContact O-CB 3.34Å; E137-M141 PolarHBondContact O-N 2.92Å
138D87.8Confident84.3Confident127 Ų12783.7 Ų83.768%0.67944%0.438SS*.Hα-helixtrans-58.9-43.7177.7-63.5-31.4000112.7S136 M141 D142S136-D138 PolarHBondContact O-N 3.15Å; S136-D138 VanDerWaalsContact O-N 3.17Å; D138-M141 PolarHBondContact O-N 3.16Å; D138-D142 WeakPolarHBondContact O-CB 3.17Å; D138-D142 PolarHBondContact O-N 2.77Å
139L87.8Confident84.2Confident75 Ų7584.7 Ų84.739%0.39346%0.455SS..Hα-helixtrans-70.4-39.1-179.7178.563.2000111.1M135 S136 E137 M141 D142 L143M135-L139 HydrophobicContact SD-CD2 3.79Å; S136-L139 PolarHBondContact O-N 3.01Å; S136-L139 WeakPolarHBondContact OG-CB 3.45Å; E137-L139 PolarHBondContact O-N 2.05Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-D142 PolarHBondContact O-N 3.48Å; L139-L143 HydrophobicContact CD1-CD1 4.47Å; L139-L143 HydrophobicContact CD1-CG 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.29Å; L139-L143 WeakPolarHBondContact O-CB 3.39Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 2.91Å
140L89.1Confident84.3Confident17 Ų1785.6 Ų85.69%0.08946%0.456CS..Hα-helixtrans-64.5-43177.2-177.962.1000111Q123 I126 L127 S136 E137 L143 T144Q123-L140 HydrophobicContact CB-CD1 4.15Å; Q123-L140 HydrophobicContact CB-CD2 4.01Å; Q123-L140 HydrophobicContact CB-CG 4.13Å; Q123-L140 HydrophobicContact CG-CD1 4.23Å; Q123-L140 HydrophobicContact CG-CD2 4.05Å; Q123-L140 HydrophobicContact CG-CG 3.85Å; I126-L140 HydrophobicContact CB-CD1 4.01Å; I126-L140 HydrophobicContact CG2-CD1 3.81Å; L127-L140 HydrophobicContact CD1-CD2 3.95Å; L127-L140 HydrophobicContact CD2-CD1 4.23Å; L127-L140 HydrophobicContact CD2-CD2 4.19Å; L127-L140 HydrophobicContact CG-CD1 4.01Å; L127-L140 HydrophobicContact CG-CD2 4.1Å; S136-L140 PolarHBondContact O-N 3.19Å; S136-L140 VanDerWaalsContact O-N 3.12Å; E137-L140 PolarHBondContact O-N 3.21Å; L140-L143 PolarHBondContact O-N 3.12Å; L140-T144 WeakPolarHBondContact O-CB 3.49Å; L140-T144 PolarHBondContact O-N 3.35Å; L140-T144 PolarHBondContact O-OG1 3.12Å
141M89.3Confident84.6Confident75 Ų7582 Ų8237%0.36944%0.439SS..Hα-helixtrans-62.7-46.5174.9-174.463.374.200111.2E119 E137 D138 L139 L143 T144 N145E119-M141 VanDerWaalsContact OE1-CE 3.28Å; E119-M141 WeakPolarHBondContact OE1-CE 3.11Å; E137-M141 VanDerWaalsContact O-CB 3.28Å; E137-M141 WeakPolarHBondContact O-CB 3.34Å; E137-M141 PolarHBondContact O-N 2.92Å; D138-M141 PolarHBondContact O-N 3.16Å; L139-M141 VanDerWaalsContact C-N 3.35Å; M141-L143 PolarHBondContact O-N 2.68Å; M141-T144 PolarHBondContact O-N 2.7Å; M141-N145 WeakPolarHBondContact O-CB 3.28Å; M141-N145 VanDerWaalsContact O-CG 3.28Å; M141-N145 PolarHBondContact O-N 3.32Å; M141-N145 PolarHBondContact O-ND2 3.29Å; M141-N145 VanDerWaalsContact O-ND2 3.1Å
142D90.3Very high85.2Confident107 Ų10775.7 Ų75.757%0.57241%0.405SS*.Hα-helixtrans-60.1-44.4177.6-76.9-17.1000112.2D138 L139 H146D138-D142 WeakPolarHBondContact O-CB 3.17Å; D138-D142 PolarHBondContact O-N 2.77Å; L139-D142 PolarHBondContact O-N 3.48Å; D142-H146 WeakPolarHBondContact O-CB 3.46Å; D142-H146 PolarHBondContact O-N 3.45Å
143L89.1Confident85.9Confident64 Ų6479.9 Ų79.934%0.33543%0.425SS..Hα-helixtrans-65.5-41.5177-71.9172.7000111.9I126 L130 L139 L140 M141 H146 V147I126-L143 HydrophobicContact CD1-CB 3.99Å; I126-L143 HydrophobicContact CG2-CD1 3.96Å; L130-L143 HydrophobicContact CD1-CD1 4.49Å; L139-L143 HydrophobicContact CD1-CD1 4.47Å; L139-L143 HydrophobicContact CD1-CG 4.41Å; L139-L143 HydrophobicContact CG-CD1 4.29Å; L139-L143 WeakPolarHBondContact O-CB 3.39Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.49Å; L139-L143 PolarHBondContact O-N 2.91Å; L140-L143 PolarHBondContact O-N 3.12Å; M141-L143 PolarHBondContact O-N 2.68Å; L143-H146 PolarHBondContact O-N 3.23Å; L143-V147 WeakPolarHBondContact O-CG2 3.5Å; L143-V147 PolarHBondContact O-N 3.49Å
144T90.3Very high87.1Confident0 Ų077.1 Ų77.10%041%0.41CS..Hα-helixtrans-64.4-47.4179.3-55.90000110.8E119 L122 Q123 L140 M141 H146 V147 L148E119-T144 HydrophobicContact CB-CG2 4.49Å; E119-T144 HydrophobicContact CG-CG2 3.61Å; L122-T144 HydrophobicContact CB-CG2 3.83Å; L122-T144 HydrophobicContact CD1-CG2 4.03Å; Q123-T144 HydrophobicContact CG-CG2 4.31Å; Q123-T144 WeakPolarHBondContact CG-OG1 3.39Å; L140-T144 WeakPolarHBondContact O-CB 3.49Å; L140-T144 PolarHBondContact O-N 3.35Å; L140-T144 PolarHBondContact O-OG1 3.12Å; M141-T144 PolarHBondContact O-N 2.7Å; T144-H146 VanDerWaalsContact C-N 3.28Å; T144-H146 PolarHBondContact O-N 3.42Å; T144-V147 PolarHBondContact O-N 3.39Å; T144-L148 HydrophobicContact CG2-CD1 4.24Å; T144-L148 PolarHBondContact O-N 2.97Å
145N90.4Very high88.2Confident75 Ų7575.6 Ų75.640%0.40140%0.403SS..Hα-helixtrans-60.7-38175.3-73.1-35.2000112.2M141 S149M141-N145 WeakPolarHBondContact O-CB 3.28Å; M141-N145 VanDerWaalsContact O-CG 3.28Å; M141-N145 PolarHBondContact O-N 3.32Å; M141-N145 PolarHBondContact O-ND2 3.29Å; M141-N145 VanDerWaalsContact O-ND2 3.1Å; N145-S149 VanDerWaalsContact O-CB 3.26Å; N145-S149 WeakPolarHBondContact O-CB 3.46Å; N145-S149 PolarHBondContact O-N 3.3Å; N145-S149 PolarHBondContact O-OG 3.23Å
146H89.8Confident88.9Confident101 Ų10175.6 Ų75.647%0.46840%0.404SS..Hα-helixtrans-63.1-46.2176.2-173.339.9000111.6D142 L143 T144 S149 E150D142-H146 WeakPolarHBondContact O-CB 3.46Å; D142-H146 PolarHBondContact O-N 3.45Å; L143-H146 PolarHBondContact O-N 3.23Å; T144-H146 VanDerWaalsContact C-N 3.28Å; T144-H146 PolarHBondContact O-N 3.42Å; H146-S149 PolarHBondContact O-N 3.4Å; H146-S149 PolarHBondContact O-OG 2.98Å; H146-E150 IonicContact CE1-OE1 3.74Å; H146-E150 PolarHBondContact CE1-OE1 2.7Å; H146-E150 IonicContact ND1-OE1 3.83Å; H146-E150 IonicContact NE2-OE1 3.78Å; H146-E150 PolarHBondContact O-N 3.29Å
147V87.8Confident89.1Confident52 Ų5277 Ų7732%0.31541%0.406SS..Hα-helixtrans-61.3-46.8177.21720000111.8L122 L143 T144 E150 S151L122-V147 HydrophobicContact CD1-CG1 4.23Å; L122-V147 HydrophobicContact CD2-CG1 4.08Å; L143-V147 WeakPolarHBondContact O-CG2 3.5Å; L143-V147 PolarHBondContact O-N 3.49Å; T144-V147 PolarHBondContact O-N 3.39Å; V147-E150 PolarHBondContact O-N 2.92Å; V147-S151 WeakPolarHBondContact O-CB 3.15Å; V147-S151 PolarHBondContact O-N 2.81Å; V147-S151 PolarHBondContact O-OG 3Å; V147-S151 VanDerWaalsContact O-OG 3.07Å
148L89.3Confident89.5Confident8 Ų872.2 Ų72.24%0.04238%0.384CS..Hα-helixtrans-61.1-47.5177-72.2171.7000110.8L122 T144 E150 S151 D152 L159L122-L148 HydrophobicContact CD1-CD1 4.34Å; L122-L148 HydrophobicContact CD1-CD2 3.62Å; L122-L148 HydrophobicContact CD1-CG 3.7Å; T144-L148 HydrophobicContact CG2-CD1 4.24Å; T144-L148 PolarHBondContact O-N 2.97Å; L148-E150 PolarHBondContact O-N 3.2Å; L148-S151 PolarHBondContact O-N 2.99Å; L148-D152 HydrophobicContact CB-CB 4.42Å; L148-D152 HydrophobicContact CD2-CB 4.32Å; L148-D152 WeakPolarHBondContact O-CB 3.47Å; L148-D152 PolarHBondContact O-N 3.43Å; L148-L159 HydrophobicContact CD2-CD2 4.12Å; L148-L159 HydrophobicContact CD2-CG 4.08Å
149S88.9Confident89.8Confident89 Ų8966.4 Ų66.462%0.62235%0.353SS*.Hα-helixtrans-58.5-23.9-178.972.80000114.9N145 H146N145-S149 VanDerWaalsContact O-CB 3.26Å; N145-S149 WeakPolarHBondContact O-CB 3.46Å; N145-S149 PolarHBondContact O-N 3.3Å; N145-S149 PolarHBondContact O-OG 3.23Å; H146-S149 PolarHBondContact O-N 3.4Å; H146-S149 PolarHBondContact O-OG 2.98Å
150E87.4Confident90.1Very high127 Ų12764 Ų6459%0.59334%0.343SS*.Hα-helixtrans-92.5-25.1177.9-67-16916400113.6H146 V147 L148H146-E150 IonicContact CE1-OE1 3.74Å; H146-E150 PolarHBondContact CE1-OE1 2.7Å; H146-E150 IonicContact ND1-OE1 3.83Å; H146-E150 IonicContact NE2-OE1 3.78Å; H146-E150 PolarHBondContact O-N 3.29Å; V147-E150 PolarHBondContact O-N 2.92Å; L148-E150 PolarHBondContact O-N 3.2Å
151S88.4Confident90.4Very high17 Ų1766.7 Ų66.712%0.11935%0.354CS..Hα-helixtrans-117.3-33.6-165.1-52.10000114V147 L148 L153V147-S151 WeakPolarHBondContact O-CB 3.15Å; V147-S151 PolarHBondContact O-N 2.81Å; V147-S151 PolarHBondContact O-OG 3Å; V147-S151 VanDerWaalsContact O-OG 3.07Å; L148-S151 PolarHBondContact O-N 2.99Å; S151-L153 PolarHBondContact O-N 3.39Å
152D90.8Very high90.6Very high14 Ų1467.1 Ų67.18%0.07536%0.364CS..  trans-75.8110177.3179.2-2.5000109.1L148 D154 N155 D156 N157 L159L148-D152 HydrophobicContact CB-CB 4.42Å; L148-D152 HydrophobicContact CD2-CB 4.32Å; L148-D152 WeakPolarHBondContact O-CB 3.47Å; L148-D152 PolarHBondContact O-N 3.43Å; D152-D154 PolarHBondContact OD1-N 3.41Å; D152-N155 VanDerWaalsContact OD1-CA 3.23Å; D152-N155 WeakPolarHBondContact OD1-CA 3.31Å; D152-N155 PolarHBondContact OD1-N 2.78Å; D152-N155 VanDerWaalsContact OD2-CA 3.29Å; D152-N155 WeakPolarHBondContact OD2-CA 3.42Å; D152-D156 PolarHBondContact OD1-N 3.25Å; D152-D156 PolarHBondContact OD2-N 3.32Å; D152-N157 VanDerWaalsContact OD2-CA 3.31Å; D152-N157 WeakPolarHBondContact OD2-CA 3.14Å; D152-N157 PolarHBondContact OD2-N 3.02Å; D152-L159 HydrophobicContact CB-CD2 4Å
153L88.8Confident90.7Very high111 Ų11162.4 Ų62.458%0.58134%0.339SS*.SBendtrans-93.6-27.8-174-63.4179.1000111.9S151 E163S151-L153 PolarHBondContact O-N 3.39Å; L153-E163 HydrophobicContact CB-CG 4.34Å; L153-E163 HydrophobicContact CD1-CG 4.32Å; L153-E163 HydrophobicContact CG-CG 4.21Å; L153-E163 PolarHBondContact N-OE1 3.18Å
154D91.4Very high90.9Very high100 Ų10059.8 Ų59.854%0.53533%0.325SS..SBendtrans-100.1-5.2-178.772.814.9000114.2D152 D156 E163D152-D154 PolarHBondContact OD1-N 3.41Å; D154-D156 WeakPolarHBondContact OD1-CB 3.26Å; D154-D156 VanDerWaalsContact OD1-CG 3.24Å; D154-D156 PolarHBondContact OD1-N 2.91Å; D154-E163 PolarHBondContact N-OE1 3.42Å
155N89.1Confident90.9Very high126 Ų12663.4 Ų63.467%0.67434%0.342SS*.  trans63.236.4176.8-55.2-98.5000113.2D152 N157D152-N155 VanDerWaalsContact OD1-CA 3.23Å; D152-N155 WeakPolarHBondContact OD1-CA 3.31Å; D152-N155 PolarHBondContact OD1-N 2.78Å; D152-N155 VanDerWaalsContact OD2-CA 3.29Å; D152-N155 WeakPolarHBondContact OD2-CA 3.42Å; N155-N157 VanDerWaalsContact C-N 3.29Å
156D90.8Very high90.9Very high66 Ų6663.8 Ų63.835%0.35334%0.341SS..SBendtrans-84.5-2.3174.279.3-2.2000113.6D152 D154 M158D152-D156 PolarHBondContact OD1-N 3.25Å; D152-D156 PolarHBondContact OD2-N 3.32Å; D154-D156 WeakPolarHBondContact OD1-CB 3.26Å; D154-D156 VanDerWaalsContact OD1-CG 3.24Å; D154-D156 PolarHBondContact OD1-N 2.91Å; D156-M158 WeakPolarHBondContact OD1-CA 3.08Å; D156-M158 WeakPolarHBondContact OD1-CB 3.35Å; D156-M158 PolarHBondContact OD1-N 3.47Å
157N89.7Confident90.8Very high97 Ų9759.8 Ų59.852%0.51933%0.326SS..SBendtrans64.323.3-174.3-48.9-78.1000113.8D152 N155D152-N157 VanDerWaalsContact OD2-CA 3.31Å; D152-N157 WeakPolarHBondContact OD2-CA 3.14Å; D152-N157 PolarHBondContact OD2-N 3.02Å; N155-N157 VanDerWaalsContact C-N 3.29Å
158M93.3Very high90.8Very high69 Ų6959.1 Ų59.134%0.3432%0.319SS..SBendtrans-132.5163.2173-55.7-173.6176.400108.5F116 D118 D156F116-M158 HydrophobicContact CB-CB 4.24Å; F116-M158 HydrophobicContact CB-SD 4.36Å; D118-M158 HydrophobicContact CB-CE 4.18Å; D118-M158 HydrophobicContact CB-CG 4.02Å; D118-M158 HydrophobicContact CB-SD 4.27Å; D156-M158 WeakPolarHBondContact OD1-CA 3.08Å; D156-M158 WeakPolarHBondContact OD1-CB 3.35Å; D156-M158 PolarHBondContact OD1-N 3.47Å
159L93.6Very high90.5Very high4 Ų462.3 Ų62.32%0.02135%0.347CS..BIsolated β-bridgetrans-110.7113.8171.6-58.7176.4000109F116 I117 L122 L148 D152 E163F116-L159 WeakPolarHBondContact CA-O 3.33Å; I117-L159 HydrophobicContact CB-CB 4.24Å; I117-L159 PolarHBondContact N-O 2.85Å; I117-L159 PolarHBondContact O-N 3.34Å; L122-L159 HydrophobicContact CD1-CD1 4.46Å; L122-L159 HydrophobicContact CD2-CD1 4.34Å; L148-L159 HydrophobicContact CD2-CD2 4.12Å; L148-L159 HydrophobicContact CD2-CG 4.08Å; D152-L159 HydrophobicContact CB-CD2 4Å; L159-E163 HydrophobicContact CD2-CB 4.32Å
160S95.1Very high90.1Very high26 Ų2664.6 Ų64.618%0.18235%0.346CS..  trans-66.8163.1165.770.60000110.8S162 E163 F164S160-S162 PolarHBondContact O-N 3.17Å; S160-E163 VanDerWaalsContact CB-OE2 3.28Å; S160-E163 WeakPolarHBondContact CB-OE2 3.45Å; S160-E163 PolarHBondContact N-OE2 3.04Å; S160-E163 PolarHBondContact O-N 3.37Å; S160-E163 PolarHBondContact OG-N 3.07Å; S160-E163 PolarHBondContact OG-OE2 2.84Å; S160-F164 PolarHBondContact O-N 3.18Å
161F94.2Very high89.8Confident73 Ų7360.7 Ų60.732%0.3233%0.332SS..Hα-helixtrans-54.6-37.7175.3177.8-106.7000112.8I102 E103 F106 F164 E165I102-F161 HydrophobicContact CG2-CE2 4.19Å; E103-F161 HydrophobicContact CB-CE2 4.28Å; E103-F161 HydrophobicContact CB-CZ 4.38Å; F106-F161 HydrophobicContact CB-CD2 4.05Å; F106-F161 HydrophobicContact CB-CE2 4.33Å; F106-F161 HydrophobicContact CD1-CD2 4.14Å; F106-F161 HydrophobicContact CD2-CD2 4.17Å; F106-F161 HydrophobicContact CE1-CB 4.43Å; F106-F161 HydrophobicContact CE2-CB 4.37Å; F106-F161 AromaticContact CG-CD2 3.85Å; F106-F161 HydrophobicContact CG-CD2 3.85Å; F106-F161 HydrophobicContact CZ-CB 4.27Å; F161-F164 PolarHBondContact O-N 2.62Å; F161-E165 WeakPolarHBondContact O-CB 3.16Å; F161-E165 PolarHBondContact O-N 3.1Å
162S93.5Very high89Confident83 Ų8364.4 Ų64.458%0.5836%0.356SS*.Hα-helixtrans-68.6-39-178.3-53.80000112S160 H166S160-S162 PolarHBondContact O-N 3.17Å; S162-H166 WeakPolarHBondContact O-CB 3.23Å; S162-H166 PolarHBondContact O-N 3.22Å
163E93.4Very high88.4Confident9 Ų969.4 Ų69.44%0.04238%0.383CS..Hα-helixtrans-70.7-42.5177.2-72.7160.9138.800111.2L153 D154 L159 S160 E165 H166 A167L153-E163 HydrophobicContact CB-CG 4.34Å; L153-E163 HydrophobicContact CD1-CG 4.32Å; L153-E163 HydrophobicContact CG-CG 4.21Å; L153-E163 PolarHBondContact N-OE1 3.18Å; D154-E163 PolarHBondContact N-OE1 3.42Å; L159-E163 HydrophobicContact CD2-CB 4.32Å; S160-E163 VanDerWaalsContact CB-OE2 3.28Å; S160-E163 WeakPolarHBondContact CB-OE2 3.45Å; S160-E163 PolarHBondContact N-OE2 3.04Å; S160-E163 PolarHBondContact O-N 3.37Å; S160-E163 PolarHBondContact OG-N 3.07Å; S160-E163 PolarHBondContact OG-OE2 2.84Å; E163-E165 PolarHBondContact O-N 2.81Å; E163-H166 PolarHBondContact O-N 3.45Å; E163-A167 WeakPolarHBondContact O-CB 3.48Å; E163-A167 PolarHBondContact O-N 2.7Å
164F92.6Very high87.8Confident9 Ų964.9 Ų64.94%0.03936%0.359CS..Hα-helixtrans-60.8-45.2173.7-176.3-98.8000111.7I102 A105 F106 Y109 I117 S160 F161 H166 A167 M168I102-F164 HydrophobicContact CG2-CD1 3.9Å; I102-F164 HydrophobicContact CG2-CE1 4.01Å; A105-F164 HydrophobicContact CB-CE1 4.17Å; A105-F164 HydrophobicContact CB-CZ 4.23Å; F106-F164 HydrophobicContact CB-CD1 3.89Å; F106-F164 HydrophobicContact CB-CE1 4Å; F106-F164 HydrophobicContact CD2-CB 3.7Å; F106-F164 AromaticContact CD2-CD1 3.72Å; F106-F164 HydrophobicContact CD2-CD1 3.72Å; F106-F164 HydrophobicContact CD2-CD2 4.38Å; F106-F164 HydrophobicContact CD2-CE1 4.46Å; F106-F164 AromaticContact CD2-CG 3.67Å; F106-F164 HydrophobicContact CD2-CG 3.67Å; F106-F164 HydrophobicContact CE2-CB 4.02Å; F106-F164 HydrophobicContact CE2-CG 4.4Å; F106-F164 HydrophobicContact CG-CD1 4.3Å; Y109-F164 AromaticContact CD2-CE2 3.82Å; Y109-F164 HydrophobicContact CD2-CE2 3.82Å; Y109-F164 AromaticContact CD2-CZ 3.64Å; Y109-F164 HydrophobicContact CD2-CZ 3.64Å; Y109-F164 HydrophobicContact CE2-CE2 4.27Å; Y109-F164 AromaticContact CE2-CZ 3.91Å; Y109-F164 HydrophobicContact CE2-CZ 3.91Å; I117-F164 HydrophobicContact CD1-CD2 3.49Å; I117-F164 VanDerWaalsContact CD1-CD2 3.49Å; I117-F164 HydrophobicContact CD1-CE2 3.75Å; I117-F164 HydrophobicContact CD1-CG 4.06Å; I117-F164 HydrophobicContact CD1-CZ 4.5Å; S160-F164 PolarHBondContact O-N 3.18Å; F161-F164 PolarHBondContact O-N 2.62Å; F164-H166 VanDerWaalsContact C-N 3.34Å; F164-H166 PolarHBondContact O-N 2.72Å; F164-A167 PolarHBondContact O-N 2.81Å; F164-M168 HydrophobicContact CD1-CG 4.03Å; F164-M168 HydrophobicContact CD2-CE 4.38Å; F164-M168 HydrophobicContact CD2-CG 4.42Å; F164-M168 HydrophobicContact CE1-CG 3.61Å; F164-M168 HydrophobicContact CE2-CE 3.93Å; F164-M168 HydrophobicContact CE2-CG 4.04Å; F164-M168 HydrophobicContact CE2-SD 4.18Å; F164-M168 HydrophobicContact CG-CG 4.42Å; F164-M168 HydrophobicContact CZ-CE 4.32Å; F164-M168 HydrophobicContact CZ-CG 3.6Å; F164-M168 HydrophobicContact CZ-SD 3.94Å; F164-M168 WeakPolarHBondContact O-CB 3.46Å; F164-M168 VanDerWaalsContact O-CG 3.3Å; F164-M168 WeakPolarHBondContact O-CG 3.45Å; F164-M168 PolarHBondContact O-N 2.8Å
165E91.6Very high86.8Confident76 Ų7662 Ų6236%0.35534%0.342SS..Hα-helixtrans-59.5-45175.9-179.6176.9-124.500111.5I102 F161 E163 M168 A169I102-E165 HydrophobicContact CD1-CG 4.36Å; I102-E165 HydrophobicContact CG2-CB 3.97Å; I102-E165 HydrophobicContact CG2-CG 4.18Å; F161-E165 WeakPolarHBondContact O-CB 3.16Å; F161-E165 PolarHBondContact O-N 3.1Å; E163-E165 PolarHBondContact O-N 2.81Å; E165-M168 PolarHBondContact O-N 2.87Å; E165-A169 VanDerWaalsContact O-CB 3.27Å; E165-A169 WeakPolarHBondContact O-CB 3.23Å; E165-A169 PolarHBondContact O-N 3.25Å
166H89.4Confident86Confident82 Ų8260.4 Ų60.438%0.3833%0.334SS..Hα-helixtrans-63.7-41.2177.2-176.969000112.7S162 E163 F164 K170S162-H166 WeakPolarHBondContact O-CB 3.23Å; S162-H166 PolarHBondContact O-N 3.22Å; E163-H166 PolarHBondContact O-N 3.45Å; F164-H166 VanDerWaalsContact C-N 3.34Å; F164-H166 PolarHBondContact O-N 2.72Å; H166-K170 VanDerWaalsContact CE1-CE 3.47Å; H166-K170 WeakPolarHBondContact CE1-CE 3.41Å; H166-K170 VanDerWaalsContact NE2-CE 3.3Å; H166-K170 WeakPolarHBondContact NE2-CE 3.22Å; H166-K170 PolarHBondContact NE2-NZ 3.21Å; H166-K170 VanDerWaalsContact NE2-NZ 3.11Å; H166-K170 WeakPolarHBondContact O-CG 3.47Å; H166-K170 PolarHBondContact O-N 3.19Å
167A88.3Confident85.4Confident18 Ų1861.3 Ų61.315%0.14935%0.345CS..Hα-helixtrans-63.5-46.3176.100000111.3E163 F164 K170 S171E163-A167 WeakPolarHBondContact O-CB 3.48Å; E163-A167 PolarHBondContact O-N 2.7Å; F164-A167 PolarHBondContact O-N 2.81Å; A167-K170 PolarHBondContact O-N 3.3Å; A167-S171 PolarHBondContact O-N 2.83Å
168M87.3Confident84.9Confident37 Ų3757.4 Ų57.418%0.18232%0.324CS..Hα-helixtrans-68.5-35.6179-66.4-54.3106.400112.4I102 F164 E165 K170 S171 F174I102-M168 HydrophobicContact CD1-CB 3.98Å; I102-M168 HydrophobicContact CG1-CB 3.95Å; F164-M168 HydrophobicContact CD1-CG 4.03Å; F164-M168 HydrophobicContact CD2-CE 4.38Å; F164-M168 HydrophobicContact CD2-CG 4.42Å; F164-M168 HydrophobicContact CE1-CG 3.61Å; F164-M168 HydrophobicContact CE2-CE 3.93Å; F164-M168 HydrophobicContact CE2-CG 4.04Å; F164-M168 HydrophobicContact CE2-SD 4.18Å; F164-M168 HydrophobicContact CG-CG 4.42Å; F164-M168 HydrophobicContact CZ-CE 4.32Å; F164-M168 HydrophobicContact CZ-CG 3.6Å; F164-M168 HydrophobicContact CZ-SD 3.94Å; F164-M168 WeakPolarHBondContact O-CB 3.46Å; F164-M168 VanDerWaalsContact O-CG 3.3Å; F164-M168 WeakPolarHBondContact O-CG 3.45Å; F164-M168 PolarHBondContact O-N 2.8Å; E165-M168 PolarHBondContact O-N 2.87Å; M168-K170 PolarHBondContact O-N 3.49Å; M168-S171 CarbonylContact O-C 3.48Å; M168-S171 PolarHBondContact O-N 2.81Å; M168-F174 HydrophobicContact CB-CD1 4.07Å; M168-F174 HydrophobicContact CB-CE1 4.44Å; M168-F174 HydrophobicContact CG-CD1 4.05Å; M168-F174 HydrophobicContact CG-CE1 4.13Å; M168-F174 HydrophobicContact CG-CG 4.33Å; M168-F174 HydrophobicContact CG-CZ 4.47Å; M168-F174 HydrophobicContact SD-CB 4.01Å; M168-F174 HydrophobicContact SD-CD1 3.7Å; M168-F174 HydrophobicContact SD-CD2 3.37Å; M168-F174 WeakPolarHBondContact SD-CD2 3.19Å; M168-F174 HydrophobicContact SD-CE1 4.02Å; M168-F174 HydrophobicContact SD-CE2 3.71Å; M168-F174 HydrophobicContact SD-CG 3.37Å; M168-F174 WeakPolarHBondContact SD-CG 3.45Å; M168-F174 HydrophobicContact SD-CZ 4.03Å
169A82.5Confident84.3Confident75 Ų7558 Ų5862%0.6232%0.322SS*.Hα-helixtrans-62.4-26.5175.300000112.9E165E165-A169 VanDerWaalsContact O-CB 3.27Å; E165-A169 WeakPolarHBondContact O-CB 3.23Å; E165-A169 PolarHBondContact O-N 3.25Å
170K81.6Confident83.6Confident138 Ų13859 Ų5960%0.633%0.327SS*.THydrogen-bonded Turntrans-84.5-6.9174.3-69.3176.2179.6175.40113.9H166 A167 M168 P172H166-K170 VanDerWaalsContact CE1-CE 3.47Å; H166-K170 WeakPolarHBondContact CE1-CE 3.41Å; H166-K170 VanDerWaalsContact NE2-CE 3.3Å; H166-K170 WeakPolarHBondContact NE2-CE 3.22Å; H166-K170 PolarHBondContact NE2-NZ 3.21Å; H166-K170 VanDerWaalsContact NE2-NZ 3.11Å; H166-K170 WeakPolarHBondContact O-CG 3.47Å; H166-K170 PolarHBondContact O-N 3.19Å; A167-K170 PolarHBondContact O-N 3.3Å; M168-K170 PolarHBondContact O-N 3.49Å; K170-P172 WeakPolarHBondContact O-CD 3.23Å
171S79.9Confident82.7Confident45 Ų4564.4 Ų64.432%0.31535%0.349SS..  trans-115.490.6-179.3-172.60000111.4A167 M168 D173 F174A167-S171 PolarHBondContact O-N 2.83Å; M168-S171 CarbonylContact O-C 3.48Å; M168-S171 PolarHBondContact O-N 2.81Å; S171-D173 PolarHBondContact O-N 3.48Å; S171-F174 WeakPolarHBondContact O-CB 3.37Å; S171-F174 PolarHBondContact O-N 2.95Å
172P72.2Confident81.4Confident95 Ų9561.6 Ų61.662%0.61734%0.337SS*.Hα-helixtrans-59.1-28.8178.2-22.432.6000113.3K170 F174 M175K170-P172 WeakPolarHBondContact O-CD 3.23Å; P172-F174 VanDerWaalsContact C-N 3.3Å; P172-F174 PolarHBondContact O-N 3.21Å; P172-M175 PolarHBondContact O-N 3.39Å
173D79.1Confident80Confident119 Ų11959.1 Ų59.164%0.63632%0.315SS*.Hα-helixtrans-69.2-29.1-178.1-67.2-31.7000112.5S171 M175 N176 S177S171-D173 PolarHBondContact O-N 3.48Å; D173-M175 VanDerWaalsContact C-N 3.29Å; D173-M175 PolarHBondContact O-N 3.48Å; D173-N176 PolarHBondContact O-N 3.08Å; D173-N176 VanDerWaalsContact O-N 3.09Å; D173-S177 PolarHBondContact O-N 3.1Å
174F75.7Confident78.3Confident16 Ų1663.2 Ų63.27%0.0736%0.359CS..Hα-helixtrans-58.3-41.9176178.3-100.3000112.1I102 A105 Y109 M168 S171 P172 N176 S177 F178I102-F174 HydrophobicContact CG1-CE1 4.33Å; A105-F174 HydrophobicContact CB-CE1 4.22Å; A105-F174 HydrophobicContact CB-CE2 4.41Å; A105-F174 HydrophobicContact CB-CZ 3.47Å; A105-F174 VanDerWaalsContact CB-CZ 3.47Å; Y109-F174 HydrophobicContact CE2-CE2 4.14Å; M168-F174 HydrophobicContact CB-CD1 4.07Å; M168-F174 HydrophobicContact CB-CE1 4.44Å; M168-F174 HydrophobicContact CG-CD1 4.05Å; M168-F174 HydrophobicContact CG-CE1 4.13Å; M168-F174 HydrophobicContact CG-CG 4.33Å; M168-F174 HydrophobicContact CG-CZ 4.47Å; M168-F174 HydrophobicContact SD-CB 4.01Å; M168-F174 HydrophobicContact SD-CD1 3.7Å; M168-F174 HydrophobicContact SD-CD2 3.37Å; M168-F174 WeakPolarHBondContact SD-CD2 3.19Å; M168-F174 HydrophobicContact SD-CE1 4.02Å; M168-F174 HydrophobicContact SD-CE2 3.71Å; M168-F174 HydrophobicContact SD-CG 3.37Å; M168-F174 WeakPolarHBondContact SD-CG 3.45Å; M168-F174 HydrophobicContact SD-CZ 4.03Å; S171-F174 WeakPolarHBondContact O-CB 3.37Å; S171-F174 PolarHBondContact O-N 2.95Å; P172-F174 VanDerWaalsContact C-N 3.3Å; P172-F174 PolarHBondContact O-N 3.21Å; F174-N176 PolarHBondContact O-N 3.35Å; F174-S177 PolarHBondContact O-N 3.24Å; F174-S177 PolarHBondContact O-OG 3.47Å; F174-F178 HydrophobicContact CE1-CB 4.31Å; F174-F178 HydrophobicContact CE2-CD2 4.2Å; F174-F178 HydrophobicContact CZ-CB 4.21Å; F174-F178 AromaticContact CZ-CD2 3.74Å; F174-F178 HydrophobicContact CZ-CD2 3.74Å; F174-F178 HydrophobicContact CZ-CE2 4.41Å; F174-F178 HydrophobicContact CZ-CG 4.16Å; F174-F178 WeakPolarHBondContact O-CB 3.26Å; F174-F178 PolarHBondContact O-N 2.98Å
175M70.4Confident76.3Confident38 Ų3870 Ų7019%0.18741%0.406CS..Hα-helixtrans-67.2-23.1179.5-70.7-58.2-55.700113.4P98 K101 P172 D173 R179P98-M175 HydrophobicContact CB-CE 3.72Å; P98-M175 HydrophobicContact CB-SD 3.94Å; P98-M175 HydrophobicContact CG-CE 3.91Å; K101-M175 HydrophobicContact CB-CE 4.31Å; K101-M175 HydrophobicContact CB-SD 4.39Å; K101-M175 HydrophobicContact CD-CE 3.66Å; K101-M175 HydrophobicContact CD-SD 4.5Å; K101-M175 HydrophobicContact CG-CE 4.22Å; P172-M175 PolarHBondContact O-N 3.39Å; D173-M175 VanDerWaalsContact C-N 3.29Å; D173-M175 PolarHBondContact O-N 3.48Å; M175-R179 PolarHBondContact O-NE 3.47Å; M175-R179 VanDerWaalsContact O-NE 3.16Å
176N72.5Confident75.5Confident93 Ų9369.7 Ų69.750%0.49741%0.409SS..Hα-helixtrans-85.7-32.5175.1-66.7-31.6000111.8D173 F174 R179D173-N176 PolarHBondContact O-N 3.08Å; D173-N176 VanDerWaalsContact O-N 3.09Å; F174-N176 PolarHBondContact O-N 3.35Å; N176-R179 PolarHBondContact OD1-NH2 3.14Å
177S77.4Confident74.8Confident86 Ų8669 Ų6960%0.60141%0.41SS*.Hα-helixtrans-78.7-27.8176.868.30000113.2D173 F174 R179D173-S177 PolarHBondContact O-N 3.1Å; F174-S177 PolarHBondContact O-N 3.24Å; F174-S177 PolarHBondContact O-OG 3.47Å; S177-R179 PolarHBondContact O-N 2.67Å
178F79.2Confident74.1Confident15 Ų1571.8 Ų71.87%0.06643%0.425CS..SBendtrans-82.657.1176.6-149.4-91.5000112.5V91 F92 K101 A105 I108 F174V91-F178 HydrophobicContact CG1-CE1 3.96Å; F92-F178 AromaticContact CD1-CD1 3.96Å; F92-F178 HydrophobicContact CD1-CD1 3.96Å; F92-F178 AromaticContact CD1-CE1 3.86Å; F92-F178 HydrophobicContact CD1-CE1 3.86Å; F92-F178 HydrophobicContact CD1-CZ 4.45Å; F92-F178 AromaticContact CE1-CD1 3.93Å; F92-F178 HydrophobicContact CE1-CD1 3.93Å; F92-F178 AromaticContact CE1-CE1 3.49Å; F92-F178 HydrophobicContact CE1-CE1 3.49Å; F92-F178 VanDerWaalsContact CE1-CE1 3.49Å; F92-F178 HydrophobicContact CE1-CE2 4.18Å; F92-F178 HydrophobicContact CE1-CG 4.48Å; F92-F178 AromaticContact CE1-CZ 3.64Å; F92-F178 HydrophobicContact CE1-CZ 3.64Å; F92-F178 HydrophobicContact CZ-CE1 4.19Å; F92-F178 HydrophobicContact CZ-CZ 4.12Å; K101-F178 HydrophobicContact CB-CD1 3.95Å; K101-F178 HydrophobicContact CB-CE1 4.37Å; K101-F178 HydrophobicContact CD-CD1 4.06Å; K101-F178 HydrophobicContact CG-CD1 4.27Å; K101-F178 PolarHBondContact NZ-O 3.17Å; K101-F178 VanDerWaalsContact NZ-O 3.08Å; A105-F178 HydrophobicContact CB-CD2 4.01Å; A105-F178 HydrophobicContact CB-CE2 3.46Å; A105-F178 VanDerWaalsContact CB-CE2 3.46Å; A105-F178 HydrophobicContact CB-CZ 3.77Å; I108-F178 HydrophobicContact CD1-CE2 4.29Å; I108-F178 HydrophobicContact CD1-CZ 3.82Å; F174-F178 HydrophobicContact CE1-CB 4.31Å; F174-F178 HydrophobicContact CE2-CD2 4.2Å; F174-F178 HydrophobicContact CZ-CB 4.21Å; F174-F178 AromaticContact CZ-CD2 3.74Å; F174-F178 HydrophobicContact CZ-CD2 3.74Å; F174-F178 HydrophobicContact CZ-CE2 4.41Å; F174-F178 HydrophobicContact CZ-CG 4.16Å; F174-F178 WeakPolarHBondContact O-CB 3.26Å; F174-F178 PolarHBondContact O-N 2.98Å
179R80.4Confident73.3Confident82 Ų8273.9 Ų73.931%0.30944%0.439SS..  trans-138.1132.3177.9-62.4178.4-171.5-159.47.8108.9E94 M175 N176 S177E94-R179 VanDerWaalsContact CD-NH1 3.28Å; E94-R179 IonicContact OE1-CZ 3.64Å; E94-R179 IonicContact OE1-NH1 3.12Å; E94-R179 PolarHBondContact OE1-NH1 3.03Å; E94-R179 IonicContact OE2-NH1 2.68Å; M175-R179 PolarHBondContact O-NE 3.47Å; M175-R179 VanDerWaalsContact O-NE 3.16Å; N176-R179 PolarHBondContact OD1-NH2 3.14Å; S177-R179 PolarHBondContact O-N 2.67Å
180I79Confident72.7Confident24 Ų2473.8 Ų73.812%0.12343%0.428CS..  trans-134.3117.2175.9-58.7178000107.6A60 L61 I70 F92 F182A60-I180 HydrophobicContact CB-CG2 3.76Å; L61-I180 HydrophobicContact CD2-CD1 4.31Å; I70-I180 HydrophobicContact CD1-CD1 4.04Å; F92-I180 HydrophobicContact CB-CB 4.1Å; F92-I180 HydrophobicContact CD1-CB 4.16Å; F92-I180 HydrophobicContact CD1-CD1 3.77Å; F92-I180 HydrophobicContact CD1-CG1 3.73Å; F92-I180 HydrophobicContact CD2-CD1 4.41Å; F92-I180 HydrophobicContact CE1-CD1 3.61Å; F92-I180 HydrophobicContact CE1-CG1 4.06Å; F92-I180 HydrophobicContact CE2-CD1 4.28Å; F92-I180 HydrophobicContact CG-CB 4.09Å; F92-I180 HydrophobicContact CG-CD1 4.18Å; F92-I180 HydrophobicContact CG-CG1 4.15Å; F92-I180 HydrophobicContact CZ-CD1 3.89Å; I180-F182 HydrophobicContact CB-CD2 3.94Å; I180-F182 HydrophobicContact CB-CE2 3.5Å; I180-F182 HydrophobicContact CB-CZ 3.91Å; I180-F182 HydrophobicContact CD1-CE2 4.41Å; I180-F182 HydrophobicContact CD1-CZ 4.01Å; I180-F182 HydrophobicContact CG1-CE2 4.49Å; I180-F182 HydrophobicContact CG2-CD1 4.04Å; I180-F182 HydrophobicContact CG2-CD2 3.68Å; I180-F182 HydrophobicContact CG2-CE1 3.96Å; I180-F182 HydrophobicContact CG2-CE2 3.55Å; I180-F182 HydrophobicContact CG2-CG 3.9Å; I180-F182 HydrophobicContact CG2-CZ 3.7Å; I180-F182 WeakPolarHBondContact O-CD2 3.32Å; I180-F182 PolarHBondContact O-N 3.43Å; I180-F182 VanDerWaalsContact O-N 3.15Å
181H75.7Confident72.1Confident140 Ų14069.5 Ų69.565%0.64842%0.416SS*.  trans-83.787.9169.5-60.5-71.8000108.4A60 W183A60-H181 WeakPolarHBondContact CB-O 3.24Å; H181-W183 VanDerWaalsContact C-N 3.29Å; H181-W183 PolarHBondContact O-N 3.05Å
182F67Low71.6Confident13 Ų1371.3 Ų71.36%0.05742%0.424CS..  trans-66.4-32.9-177.3-73.6-91.6000113.7L58 A60 L61 M88 F92 I180L58-F182 HydrophobicContact CD1-CD1 4.4Å; A60-F182 HydrophobicContact CB-CB 4.47Å; A60-F182 HydrophobicContact CB-CD1 4.31Å; L61-F182 HydrophobicContact CD1-CD1 4.47Å; L61-F182 HydrophobicContact CD1-CE1 3.81Å; L61-F182 HydrophobicContact CD2-CD1 4.49Å; L61-F182 HydrophobicContact CD2-CE1 3.5Å; L61-F182 VanDerWaalsContact CD2-CE1 3.5Å; L61-F182 HydrophobicContact CD2-CZ 4.02Å; L61-F182 HydrophobicContact CG-CD1 4.07Å; L61-F182 HydrophobicContact CG-CE1 3.46Å; L61-F182 VanDerWaalsContact CG-CE1 3.46Å; L61-F182 HydrophobicContact CG-CZ 4.44Å; M88-F182 HydrophobicContact CE-CD1 4.12Å; M88-F182 HydrophobicContact CE-CE1 3.67Å; M88-F182 HydrophobicContact CE-CZ 4.17Å; M88-F182 HydrophobicContact CG-CE1 4.38Å; M88-F182 HydrophobicContact CG-CZ 3.95Å; M88-F182 HydrophobicContact SD-CE1 4.01Å; M88-F182 HydrophobicContact SD-CZ 4.13Å; F92-F182 HydrophobicContact CB-CD2 4.42Å; F92-F182 HydrophobicContact CB-CE2 3.63Å; F92-F182 AromaticContact CD2-CE2 3.31Å; F92-F182 HydrophobicContact CD2-CE2 3.31Å; F92-F182 AromaticContact CD2-CZ 3.42Å; F92-F182 HydrophobicContact CD2-CZ 3.42Å; F92-F182 VanDerWaalsContact CD2-CZ 3.42Å; F92-F182 HydrophobicContact CE2-CE2 4.16Å; F92-F182 AromaticContact CE2-CZ 3.8Å; F92-F182 HydrophobicContact CE2-CZ 3.8Å; F92-F182 AromaticContact CG-CE2 3.66Å; F92-F182 HydrophobicContact CG-CE2 3.66Å; F92-F182 HydrophobicContact CG-CZ 4.1Å; I180-F182 HydrophobicContact CB-CD2 3.94Å; I180-F182 HydrophobicContact CB-CE2 3.5Å; I180-F182 HydrophobicContact CB-CZ 3.91Å; I180-F182 HydrophobicContact CD1-CE2 4.41Å; I180-F182 HydrophobicContact CD1-CZ 4.01Å; I180-F182 HydrophobicContact CG1-CE2 4.49Å; I180-F182 HydrophobicContact CG2-CD1 4.04Å; I180-F182 HydrophobicContact CG2-CD2 3.68Å; I180-F182 HydrophobicContact CG2-CE1 3.96Å; I180-F182 HydrophobicContact CG2-CE2 3.55Å; I180-F182 HydrophobicContact CG2-CG 3.9Å; I180-F182 HydrophobicContact CG2-CZ 3.7Å; I180-F182 WeakPolarHBondContact O-CD2 3.32Å; I180-F182 PolarHBondContact O-N 3.43Å; I180-F182 VanDerWaalsContact O-N 3.15Å
183W65.2Low71.5Confident31 Ų3169.5 Ų69.512%0.11741%0.409CS..SBendtrans-118.7108.9-162.6-38107.3000106.5I31 T34 L58 V85 A89 H181 C185I31-W183 HydrophobicContact CG1-CD2 3.79Å; I31-W183 VanDerWaalsContact CG1-CE2 3.46Å; I31-W183 HydrophobicContact CG1-CG 3.85Å; I31-W183 HydrophobicContact CG1-CZ2 4.04Å; I31-W183 VanDerWaalsContact CG1-NE1 3.25Å; I31-W183 HydrophobicContact CG2-CH2 4.45Å; I31-W183 HydrophobicContact CG2-CZ2 4.13Å; T34-W183 HydrophobicContact CG2-CE3 3.79Å; T34-W183 HydrophobicContact CG2-CZ3 3.5Å; T34-W183 VanDerWaalsContact CG2-CZ3 3.5Å; L58-W183 HydrophobicContact CD1-CH2 3.66Å; L58-W183 HydrophobicContact CD1-CZ3 3.8Å; L58-W183 HydrophobicContact CD2-CZ3 3.89Å; V85-W183 HydrophobicContact CG1-CH2 3.54Å; V85-W183 HydrophobicContact CG1-CZ2 3.59Å; A89-W183 HydrophobicContact CB-CZ2 4.32Å; H181-W183 VanDerWaalsContact C-N 3.29Å; H181-W183 PolarHBondContact O-N 3.05Å; W183-C185 PolarHBondContact O-N 3.33Å
184G56.2Low70.9Confident95 Ų9565.3 Ų65.398%0.97939%0.39SS*.  trans-71.263178.700000111.8
185C51.8Low70.4Confident151 Ų15169.8 Ų69.8100%1.0242%0.419SS*.  trans-114.90167.3-71.50000105.5C30 W183C30-C185 HydrophobicContact CB-CB 4.01Å; C30-C185 WeakPolarHBondContact CB-SG 3.49Å; C30-C185 WeakPolarHBondContact SG-CB 3.44Å; C30-C185 CovalentContact SG-SG 2.05Å; C30-C185 PolarHBondContact SG-SG 2.82Å; W183-C185 PolarHBondContact O-N 3.33Å

Retrieved 185 of 185 residues in 61.4 ms (Link to these results)

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