A0A087YSB8_POEFO Loading...

Transmembrane protein 229B

AlphaFold DB , UniProt , Accession A0A087YSB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 165 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
1P55.1Low78.9Confident141 Ų14172 Ų7292%0.91639%0.392SS*.  0122.7028.3-35.8000111.4T3P1-T3 PolarHBondContact O-N 3.13Å
2L63.8Low79.5Confident70 Ų7066 Ų6637%0.36636%0.36SS..  trans-60.5125.4177.1-75.4119.7000112.6R7 L10L2-R7 HydrophobicContact CB-CG 4.29Å; L2-L10 HydrophobicContact CD2-CD1 4.2Å
3T81.8Confident80.2Confident96 Ų9666.2 Ų66.259%0.58936%0.359SS*.  trans-60.6158.2175.7-490000111.9P1 L5 S6 R7P1-T3 PolarHBondContact O-N 3.13Å; T3-L5 PolarHBondContact O-N 3.29Å; T3-S6 PolarHBondContact N-OG 3Å; T3-S6 PolarHBondContact O-N 3.01Å; T3-S6 PolarHBondContact O-OG 3.14Å; T3-R7 PolarHBondContact O-N 3.3Å
4A78.5Confident80.5Confident37 Ų3769.1 Ų69.131%0.30637%0.369SS..Hα-helixtrans-58.2-35.1175.500000113.4R7 W8A4-R7 VanDerWaalsContact CA-NH2 3.35Å; A4-W8 WeakPolarHBondContact O-CB 3.43Å; A4-W8 PolarHBondContact O-N 2.94Å
5L82.5Confident80.6Confident132 Ų13265.2 Ų65.269%0.69135%0.352SS*.Hα-helixtrans-70.3-39.9179.2-64.6176000112.9T3 R7 W8 Y9T3-L5 PolarHBondContact O-N 3.29Å; L5-R7 VanDerWaalsContact C-N 3.33Å; L5-R7 PolarHBondContact O-N 3.25Å; L5-W8 PolarHBondContact O-N 3.22Å; L5-Y9 WeakPolarHBondContact O-CB 3.49Å; L5-Y9 PolarHBondContact O-N 3Å
6S82.2Confident80.9Confident40 Ų4065.9 Ų65.928%0.2835%0.348SS..Hα-helixtrans-67-36.8177.157.50000111.6T3 Y9 L10T3-S6 PolarHBondContact N-OG 3Å; T3-S6 PolarHBondContact O-N 3.01Å; T3-S6 PolarHBondContact O-OG 3.14Å; S6-Y9 PolarHBondContact O-N 3.49Å; S6-L10 WeakPolarHBondContact O-CG 3.5Å; S6-L10 PolarHBondContact O-N 3.23Å
7R81.7Confident81.2Confident20 Ų2069.5 Ų69.58%0.07536%0.361CS..Hα-helixtrans-63.2-47.2171.8-71.3-177.3-69.2142.84.1112.1L2 T3 A4 L5 Y9 L10 Y11 E56L2-R7 HydrophobicContact CB-CG 4.29Å; T3-R7 PolarHBondContact O-N 3.3Å; A4-R7 VanDerWaalsContact CA-NH2 3.35Å; L5-R7 VanDerWaalsContact C-N 3.33Å; L5-R7 PolarHBondContact O-N 3.25Å; R7-Y9 VanDerWaalsContact C-N 3.27Å; R7-Y9 PolarHBondContact O-N 3.29Å; R7-L10 PolarHBondContact O-N 3.18Å; R7-Y11 HydrophobicContact CB-CE2 4.08Å; R7-Y11 WeakPolarHBondContact O-CD2 3.48Å; R7-Y11 VanDerWaalsContact O-CG 3.24Å; R7-Y11 PolarHBondContact O-N 3.38Å; R7-E56 IonicContact CZ-OE1 3.88Å; R7-E56 IonicContact CZ-OE2 2.94Å; R7-E56 IonicContact NH1-OE1 2.72Å; R7-E56 PolarHBondContact NH1-OE1 2.75Å; R7-E56 IonicContact NH1-OE2 3.15Å; R7-E56 PolarHBondContact NH1-OE2 3.4Å
8W87Confident81.2Confident50 Ų5070.2 Ų70.219%0.18937%0.371CS..Hα-helixtrans-55.6-45.4176178.581.5000111.3A4 L5 Y11 A12 F45 F46 G49 T50 L53A4-W8 WeakPolarHBondContact O-CB 3.43Å; A4-W8 PolarHBondContact O-N 2.94Å; L5-W8 PolarHBondContact O-N 3.22Å; W8-Y11 PolarHBondContact O-N 3.22Å; W8-A12 VanDerWaalsContact O-CB 3.31Å; W8-A12 WeakPolarHBondContact O-CB 3.38Å; W8-A12 PolarHBondContact O-N 2.88Å; W8-F45 HydrophobicContact CH2-CD1 4.38Å; W8-F45 AromaticContact CH2-CE1 3.88Å; W8-F45 HydrophobicContact CH2-CE1 3.88Å; W8-F45 HydrophobicContact CZ3-CE1 4.16Å; W8-F46 AromaticContact CH2-CD1 3.71Å; W8-F46 HydrophobicContact CH2-CD1 3.71Å; W8-F46 AromaticContact CH2-CE1 3.95Å; W8-F46 HydrophobicContact CH2-CE1 3.95Å; W8-F46 AromaticContact CZ2-CD1 3.89Å; W8-F46 HydrophobicContact CZ2-CD1 3.89Å; W8-G49 VanDerWaalsContact CD1-O 3.29Å; W8-G49 VanDerWaalsContact NE1-C 3.26Å; W8-T50 HydrophobicContact CZ2-CG2 4.41Å; W8-T50 VanDerWaalsContact NE1-CG2 3.34Å; W8-L53 HydrophobicContact CB-CD1 4.35Å; W8-L53 HydrophobicContact CB-CD2 4.16Å; W8-L53 HydrophobicContact CG-CD2 4.31Å
9Y85.6Confident81.2Confident129 Ų12967.8 Ų67.851%0.50636%0.358SS..Hα-helixtrans-62.3-44.8177.7-178.2-105000112.7L5 S6 R7 Y11 A12 I13 F45L5-Y9 WeakPolarHBondContact O-CB 3.49Å; L5-Y9 PolarHBondContact O-N 3Å; S6-Y9 PolarHBondContact O-N 3.49Å; R7-Y9 VanDerWaalsContact C-N 3.27Å; R7-Y9 PolarHBondContact O-N 3.29Å; Y9-Y11 VanDerWaalsContact C-N 3.32Å; Y9-Y11 PolarHBondContact O-N 3.01Å; Y9-A12 PolarHBondContact O-N 2.87Å; Y9-I13 HydrophobicContact CD1-CD1 3.86Å; Y9-I13 HydrophobicContact CE1-CD1 3.24Å; Y9-I13 HydrophobicContact CE1-CG1 4.3Å; Y9-I13 HydrophobicContact CE2-CD1 4.04Å; Y9-I13 HydrophobicContact CE2-CG1 4.41Å; Y9-I13 HydrophobicContact CG-CD1 4.49Å; Y9-I13 PolarHBondContact O-N 3.34Å; Y9-F45 HydrophobicContact CD2-CZ 4.11Å; Y9-F45 HydrophobicContact CE2-CZ 4.17Å
10L85.3Confident81.4Confident73 Ų7366.3 Ų66.338%0.38235%0.351SS..Hα-helixtrans-59.9-43.7175.5-72.9171.8000111.6L2 S6 R7 H14L2-L10 HydrophobicContact CD2-CD1 4.2Å; S6-L10 WeakPolarHBondContact O-CG 3.5Å; S6-L10 PolarHBondContact O-N 3.23Å; R7-L10 PolarHBondContact O-N 3.18Å; L10-H14 PolarHBondContact O-N 3.14Å; L10-H14 PolarHBondContact O-ND1 3.4Å
11Y84Confident81.6Confident4 Ų468 Ų682%0.01636%0.358CS..Hα-helixtrans-67.6-38.8176.8-60.4-35.8000112.7R7 W8 Y9 H14 G15 I52 L53 E56 V130 T134R7-Y11 HydrophobicContact CB-CE2 4.08Å; R7-Y11 WeakPolarHBondContact O-CD2 3.48Å; R7-Y11 VanDerWaalsContact O-CG 3.24Å; R7-Y11 PolarHBondContact O-N 3.38Å; W8-Y11 PolarHBondContact O-N 3.22Å; Y9-Y11 VanDerWaalsContact C-N 3.32Å; Y9-Y11 PolarHBondContact O-N 3.01Å; Y11-H14 PolarHBondContact O-N 3.24Å; Y11-G15 PolarHBondContact O-N 3.01Å; Y11-I52 HydrophobicContact CD1-CG2 3.75Å; Y11-I52 HydrophobicContact CD2-CB 4.42Å; Y11-I52 HydrophobicContact CD2-CG2 3.79Å; Y11-I52 HydrophobicContact CE1-CG2 4.3Å; Y11-I52 HydrophobicContact CE2-CG2 4.32Å; Y11-I52 HydrophobicContact CG-CB 4.2Å; Y11-I52 HydrophobicContact CG-CG2 3.48Å; Y11-I52 VanDerWaalsContact CG-CG2 3.48Å; Y11-L53 HydrophobicContact CD2-CD1 4.36Å; Y11-L53 HydrophobicContact CE2-CD1 4.24Å; Y11-E56 HydrophobicContact CE2-CB 4.41Å; Y11-E56 WeakPolarHBondContact CE2-OE2 3.03Å; Y11-E56 PolarHBondContact OH-OE2 3.33Å; Y11-V130 HydrophobicContact CD1-CG1 3.83Å; Y11-V130 HydrophobicContact CE1-CG1 3.65Å; Y11-T134 HydrophobicContact CE1-CG2 4.3Å
12A86.8Confident82.7Confident0 Ų065.9 Ų65.90%034%0.335CS..Hα-helixtrans-61.8-45.9177.200000111.1W8 Y9 Y16 F45W8-A12 VanDerWaalsContact O-CB 3.31Å; W8-A12 WeakPolarHBondContact O-CB 3.38Å; W8-A12 PolarHBondContact O-N 2.88Å; Y9-A12 PolarHBondContact O-N 2.87Å; A12-Y16 WeakPolarHBondContact O-CB 3.28Å; A12-Y16 PolarHBondContact O-N 3.29Å; A12-F45 HydrophobicContact CB-CD1 4.04Å; A12-F45 HydrophobicContact CB-CD2 4.01Å; A12-F45 HydrophobicContact CB-CE1 3.61Å; A12-F45 HydrophobicContact CB-CE2 3.58Å; A12-F45 HydrophobicContact CB-CG 4.22Å; A12-F45 HydrophobicContact CB-CZ 3.35Å
13I87.9Confident83.5Confident68 Ų6864 Ų6435%0.34933%0.326SS..Hα-helixtrans-61.8-48.1175-71.5176000111.3Y9 Y16 F17 F45Y9-I13 HydrophobicContact CD1-CD1 3.86Å; Y9-I13 HydrophobicContact CE1-CD1 3.24Å; Y9-I13 HydrophobicContact CE1-CG1 4.3Å; Y9-I13 HydrophobicContact CE2-CD1 4.04Å; Y9-I13 HydrophobicContact CE2-CG1 4.41Å; Y9-I13 HydrophobicContact CG-CD1 4.49Å; Y9-I13 PolarHBondContact O-N 3.34Å; I13-Y16 PolarHBondContact O-N 3.29Å; I13-F17 VanDerWaalsContact O-CB 3.31Å; I13-F17 WeakPolarHBondContact O-CB 3.17Å; I13-F17 PolarHBondContact O-N 3.28Å; I13-F45 HydrophobicContact CG1-CE2 3.83Å; I13-F45 HydrophobicContact CG1-CZ 4.35Å
14H84.8Confident83.6Confident107 Ų10759.7 Ų59.750%0.49530%0.301SS..Hα-helixtrans-63.8-44.4-178.3-79.375.5000111.5L10 Y11 F17 C18L10-H14 PolarHBondContact O-N 3.14Å; L10-H14 PolarHBondContact O-ND1 3.4Å; Y11-H14 PolarHBondContact O-N 3.24Å; H14-F17 PolarHBondContact O-N 3.28Å; H14-C18 WeakPolarHBondContact O-CB 3.45Å; H14-C18 PolarHBondContact O-N 3.38Å; H14-C18 PolarHBondContact O-SG 2.88Å; H14-C18 VanDerWaalsContact O-SG 3.33Å
15G82.3Confident83.7Confident11 Ų1160.2 Ų60.211%0.11331%0.305CS..Hα-helixtrans-61.5-46.1176.200000111.8Y11 F17 C18 E19Y11-G15 PolarHBondContact O-N 3.01Å; G15-F17 PolarHBondContact O-N 2.75Å; G15-C18 PolarHBondContact O-N 3.22Å; G15-E19 WeakPolarHBondContact O-CB 3.33Å; G15-E19 PolarHBondContact O-N 3.45Å
16Y85.3Confident83.5Confident76 Ų7659.2 Ų59.230%0.29829%0.292SS..Hα-helixtrans-63.6-41.3177.5-173.1-100.1000112.9A12 I13 E19 V20 T40 A44 F45A12-Y16 WeakPolarHBondContact O-CB 3.28Å; A12-Y16 PolarHBondContact O-N 3.29Å; I13-Y16 PolarHBondContact O-N 3.29Å; Y16-E19 WeakPolarHBondContact O-CB 3.46Å; Y16-E19 PolarHBondContact O-N 3.26Å; Y16-V20 HydrophobicContact CD1-CG2 4.28Å; Y16-V20 HydrophobicContact CE1-CG2 3.93Å; Y16-V20 WeakPolarHBondContact O-CG2 3.3Å; Y16-V20 PolarHBondContact O-N 2.9Å; Y16-T40 HydrophobicContact CD2-CG2 4.12Å; Y16-T40 HydrophobicContact CE2-CG2 3.44Å; Y16-T40 VanDerWaalsContact CE2-CG2 3.44Å; Y16-A44 HydrophobicContact CD2-CB 4.49Å; Y16-F45 HydrophobicContact CD2-CB 3.73Å; Y16-F45 HydrophobicContact CD2-CD2 4.3Å; Y16-F45 HydrophobicContact CE2-CB 4.31Å; Y16-F45 HydrophobicContact CG-CB 4.27Å; Y16-F45 AromaticContact CG-CD2 3.98Å; Y16-F45 HydrophobicContact CG-CD2 3.98Å
17F85.4Confident83.4Confident127 Ų12760.6 Ų60.656%0.55729%0.294SS*.Hα-helixtrans-63.5-44.7175.1178.8-100.6000111.6I13 H14 G15 E19 V20 M21I13-F17 VanDerWaalsContact O-CB 3.31Å; I13-F17 WeakPolarHBondContact O-CB 3.17Å; I13-F17 PolarHBondContact O-N 3.28Å; H14-F17 PolarHBondContact O-N 3.28Å; G15-F17 PolarHBondContact O-N 2.75Å; F17-E19 VanDerWaalsContact C-N 3.3Å; F17-E19 PolarHBondContact O-N 2.94Å; F17-V20 PolarHBondContact O-N 2.91Å; F17-M21 HydrophobicContact CD1-CG 4.22Å; F17-M21 HydrophobicContact CD2-CG 4.43Å; F17-M21 HydrophobicContact CE1-CG 3.78Å; F17-M21 HydrophobicContact CE2-CG 4Å; F17-M21 HydrophobicContact CE2-SD 4.23Å; F17-M21 HydrophobicContact CZ-CG 3.66Å; F17-M21 HydrophobicContact CZ-SD 4Å; F17-M21 WeakPolarHBondContact O-CB 3.38Å; F17-M21 VanDerWaalsContact O-CG 3.29Å; F17-M21 WeakPolarHBondContact O-CG 3.26Å; F17-M21 PolarHBondContact O-N 3.07Å
18C81.4Confident83.4Confident82 Ų8262.4 Ų62.455%0.55430%0.303SS*.Hα-helixtrans-59.7-41175.6-75.10000112.1H14 G15 M21 F22H14-C18 WeakPolarHBondContact O-CB 3.45Å; H14-C18 PolarHBondContact O-N 3.38Å; H14-C18 PolarHBondContact O-SG 2.88Å; H14-C18 VanDerWaalsContact O-SG 3.33Å; G15-C18 PolarHBondContact O-N 3.22Å; C18-M21 PolarHBondContact O-N 3.47Å; C18-F22 VanDerWaalsContact O-CB 3.31Å; C18-F22 WeakPolarHBondContact O-CB 3.4Å; C18-F22 PolarHBondContact O-N 2.93Å
19E81.9Confident83.1Confident26 Ų2665 Ų6512%0.12132%0.324CS..Hα-helixtrans-60.9-51.7176.4179.770.617900111.9G15 Y16 F17 M21 F22 T23 T40 A44 Y48G15-E19 WeakPolarHBondContact O-CB 3.33Å; G15-E19 PolarHBondContact O-N 3.45Å; Y16-E19 WeakPolarHBondContact O-CB 3.46Å; Y16-E19 PolarHBondContact O-N 3.26Å; F17-E19 VanDerWaalsContact C-N 3.3Å; F17-E19 PolarHBondContact O-N 2.94Å; E19-M21 VanDerWaalsContact C-N 3.28Å; E19-M21 PolarHBondContact O-N 3.26Å; E19-F22 PolarHBondContact O-N 3.42Å; E19-F22 VanDerWaalsContact O-N 3.11Å; E19-T23 PolarHBondContact O-N 2.99Å; E19-T23 PolarHBondContact O-OG1 2.99Å; E19-T40 HydrophobicContact CG-CG2 4.1Å; E19-T40 WeakPolarHBondContact CG-OG1 3.36Å; E19-A44 HydrophobicContact CG-CB 4.35Å; E19-Y48 HydrophobicContact CB-CD2 4.25Å; E19-Y48 HydrophobicContact CB-CE2 3.68Å; E19-Y48 VanDerWaalsContact CD-OH 3.27Å; E19-Y48 HydrophobicContact CG-CE2 3.71Å; E19-Y48 WeakPolarHBondContact OE2-CE2 3.02Å; E19-Y48 VanDerWaalsContact OE2-CZ 3.25Å; E19-Y48 PolarHBondContact OE2-OH 3.33Å
20V84.8Confident82.7Confident37 Ų3763 Ų6322%0.22433%0.325CS..Hα-helixtrans-59.2-41.6178.8171.90000111.2Y16 F17 T23 A24 G38 T40Y16-V20 HydrophobicContact CD1-CG2 4.28Å; Y16-V20 HydrophobicContact CE1-CG2 3.93Å; Y16-V20 WeakPolarHBondContact O-CG2 3.3Å; Y16-V20 PolarHBondContact O-N 2.9Å; F17-V20 PolarHBondContact O-N 2.91Å; V20-T23 PolarHBondContact O-OG1 2.65Å; V20-T23 VanDerWaalsContact O-OG1 3.13Å; V20-A24 VanDerWaalsContact O-CB 3.22Å; V20-A24 WeakPolarHBondContact O-CB 3.2Å; V20-A24 PolarHBondContact O-N 2.84Å; V20-G38 WeakPolarHBondContact O-CA 3.37Å; V20-T40 HydrophobicContact CG2-CG2 3.53Å
21M85.5Confident82.5Confident101 Ų10164.1 Ų64.150%0.49833%0.331SS..Hα-helixtrans-68-36.8177.2-70.4-60.1-59.700112.1F17 C18 E19 A25F17-M21 HydrophobicContact CD1-CG 4.22Å; F17-M21 HydrophobicContact CD2-CG 4.43Å; F17-M21 HydrophobicContact CE1-CG 3.78Å; F17-M21 HydrophobicContact CE2-CG 4Å; F17-M21 HydrophobicContact CE2-SD 4.23Å; F17-M21 HydrophobicContact CZ-CG 3.66Å; F17-M21 HydrophobicContact CZ-SD 4Å; F17-M21 WeakPolarHBondContact O-CB 3.38Å; F17-M21 VanDerWaalsContact O-CG 3.29Å; F17-M21 WeakPolarHBondContact O-CG 3.26Å; F17-M21 PolarHBondContact O-N 3.07Å; C18-M21 PolarHBondContact O-N 3.47Å; E19-M21 VanDerWaalsContact C-N 3.28Å; E19-M21 PolarHBondContact O-N 3.26Å; M21-A25 VanDerWaalsContact O-CB 3.27Å; M21-A25 WeakPolarHBondContact O-CB 3.38Å; M21-A25 PolarHBondContact O-N 3.33Å
22F78.9Confident82.2Confident97 Ų9767.9 Ų67.943%0.42536%0.357SS..Hα-helixtrans-66.6-47.4176.9177.9-100.4000111.4C18 E19 A24 A25 W26C18-F22 VanDerWaalsContact O-CB 3.31Å; C18-F22 WeakPolarHBondContact O-CB 3.4Å; C18-F22 PolarHBondContact O-N 2.93Å; E19-F22 PolarHBondContact O-N 3.42Å; E19-F22 VanDerWaalsContact O-N 3.11Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 2.99Å; F22-A25 PolarHBondContact O-N 3.47Å; F22-W26 WeakPolarHBondContact O-CB 3.4Å; F22-W26 PolarHBondContact O-N 2.98Å
23T80.4Confident81.7Confident30 Ų3070.8 Ų70.818%0.18437%0.373CS..Hα-helixtrans-64.3-40.3177.7570000111.4E19 V20 A25 W26 E27 G38 V39E19-T23 PolarHBondContact O-N 2.99Å; E19-T23 PolarHBondContact O-OG1 2.99Å; V20-T23 PolarHBondContact O-OG1 2.65Å; V20-T23 VanDerWaalsContact O-OG1 3.13Å; T23-A25 PolarHBondContact O-N 3.33Å; T23-W26 PolarHBondContact O-N 3.39Å; T23-E27 WeakPolarHBondContact O-CB 3.19Å; T23-E27 WeakPolarHBondContact O-CG 3.27Å; T23-E27 PolarHBondContact O-N 2.85Å; T23-G38 WeakPolarHBondContact OG1-CA 3.4Å; T23-V39 PolarHBondContact OG1-O 3.37Å
24A83.1Confident81Confident7 Ų777.3 Ų77.36%0.05839%0.393CS..Hα-helixtrans-61.2-43173.500000113V20 F22 F28 F36V20-A24 VanDerWaalsContact O-CB 3.22Å; V20-A24 WeakPolarHBondContact O-CB 3.2Å; V20-A24 PolarHBondContact O-N 2.84Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 2.99Å; A24-F28 PolarHBondContact O-N 2.93Å; A24-F28 VanDerWaalsContact O-N 3.1Å; A24-F36 HydrophobicContact CB-CB 4.18Å; A24-F36 WeakPolarHBondContact CB-O 3.4Å
25A81.6Confident80.3Confident47 Ų4780.9 Ų80.939%0.38841%0.407SS..Hα-helixtrans-68.1-40.5177.800000111.8M21 F22 T23 F28 V29M21-A25 VanDerWaalsContact O-CB 3.27Å; M21-A25 WeakPolarHBondContact O-CB 3.38Å; M21-A25 PolarHBondContact O-N 3.33Å; F22-A25 PolarHBondContact O-N 3.47Å; T23-A25 PolarHBondContact O-N 3.33Å; A25-F28 PolarHBondContact O-N 3.47Å; A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-V29 PolarHBondContact O-N 2.8Å
26W78.1Confident79.7Confident111 Ų11184.7 Ų84.742%0.4242%0.421SS..Hα-helixtrans-60.8-46.6175.7-173.2-100000111.3F22 T23 F28 V29 V30 F103F22-W26 WeakPolarHBondContact O-CB 3.4Å; F22-W26 PolarHBondContact O-N 2.98Å; T23-W26 PolarHBondContact O-N 3.39Å; W26-F28 VanDerWaalsContact C-N 3.28Å; W26-F28 PolarHBondContact O-N 3.27Å; W26-V29 PolarHBondContact O-N 3.19Å; W26-V29 VanDerWaalsContact O-N 3.09Å; W26-V30 HydrophobicContact CD2-CG2 4.35Å; W26-V30 HydrophobicContact CZ2-CG2 4.22Å; W26-V30 WeakPolarHBondContact O-CG2 3.41Å; W26-V30 PolarHBondContact O-N 3.01Å; W26-F103 HydrophobicContact CH2-CE1 4.5Å; W26-F103 HydrophobicContact CH2-CZ 4.2Å; W26-F103 AromaticContact CZ2-CZ 3.95Å; W26-F103 HydrophobicContact CZ2-CZ 3.95Å
27E80.1Confident79.1Confident69 Ų6983.4 Ų83.432%0.32242%0.422SS..Hα-helixtrans-58.2-39.8174.6-83.5-64.7162.200112.8T23 N31 P37T23-E27 WeakPolarHBondContact O-CB 3.19Å; T23-E27 WeakPolarHBondContact O-CG 3.27Å; T23-E27 PolarHBondContact O-N 2.85Å; E27-N31 WeakPolarHBondContact O-CB 3.41Å; E27-N31 PolarHBondContact O-N 3.24Å; E27-N31 PolarHBondContact OE2-ND2 3.32Å; E27-P37 HydrophobicContact CB-CG 4.26Å; E27-P37 HydrophobicContact CG-CG 4.25Å
28F82.1Confident78.4Confident58 Ų5878.7 Ų78.725%0.25441%0.409SS..Hα-helixtrans-67.2-39.6174.4177.4-100.5000112.7A24 A25 W26 C32 W34 F36A24-F28 PolarHBondContact O-N 2.93Å; A24-F28 VanDerWaalsContact O-N 3.1Å; A25-F28 PolarHBondContact O-N 3.47Å; W26-F28 VanDerWaalsContact C-N 3.28Å; W26-F28 PolarHBondContact O-N 3.27Å; F28-C32 WeakPolarHBondContact O-CA 3.39Å; F28-C32 PolarHBondContact O-N 3.36Å; F28-W34 HydrophobicContact CE2-CD2 4.22Å; F28-W34 HydrophobicContact CE2-CG 4.5Å; F28-F36 HydrophobicContact CB-CD1 3.58Å; F28-F36 HydrophobicContact CB-CE1 3.26Å; F28-F36 HydrophobicContact CB-CZ 4.12Å; F28-F36 AromaticContact CD1-CE1 3.81Å; F28-F36 HydrophobicContact CD1-CE1 3.81Å; F28-F36 HydrophobicContact CD1-CZ 4.13Å; F28-F36 HydrophobicContact CD2-CD1 4.23Å; F28-F36 AromaticContact CD2-CE1 3.45Å; F28-F36 HydrophobicContact CD2-CE1 3.45Å; F28-F36 VanDerWaalsContact CD2-CE1 3.45Å; F28-F36 HydrophobicContact CD2-CE2 4.11Å; F28-F36 AromaticContact CD2-CZ 3.36Å; F28-F36 HydrophobicContact CD2-CZ 3.36Å; F28-F36 HydrophobicContact CE1-CZ 4.41Å; F28-F36 HydrophobicContact CE2-CE1 4.21Å; F28-F36 HydrophobicContact CE2-CE2 4.4Å; F28-F36 AromaticContact CE2-CZ 3.7Å; F28-F36 HydrophobicContact CE2-CZ 3.7Å; F28-F36 HydrophobicContact CG-CD1 4.02Å; F28-F36 AromaticContact CG-CE1 3.2Å; F28-F36 HydrophobicContact CG-CE1 3.2Å; F28-F36 AromaticContact CG-CZ 3.6Å; F28-F36 HydrophobicContact CG-CZ 3.6Å; F28-F36 HydrophobicContact CZ-CZ 4.21Å
29V80.8Confident78Confident105 Ų10580.5 Ų80.564%0.63642%0.417SS*.Hα-helixtrans-67.7-42.7179.6170.40000111.3A25 W26A25-V29 WeakPolarHBondContact O-CG2 3.36Å; A25-V29 PolarHBondContact O-N 2.8Å; W26-V29 PolarHBondContact O-N 3.19Å; W26-V29 VanDerWaalsContact O-N 3.09Å
30V77.1Confident77.8Confident86 Ų8680.6 Ų80.652%0.52142%0.42SS..Hα-helixtrans-78-46.2-176.8177.50000111.6W26W26-V30 HydrophobicContact CD2-CG2 4.35Å; W26-V30 HydrophobicContact CZ2-CG2 4.22Å; W26-V30 WeakPolarHBondContact O-CG2 3.41Å; W26-V30 PolarHBondContact O-N 3.01Å
31N79.7Confident77.7Confident97 Ų9780.1 Ų80.152%0.51942%0.418SS..Hα-helixtrans-108.4-1.8-170.1-64.8-53.7000113.8E27 N33E27-N31 WeakPolarHBondContact O-CB 3.41Å; E27-N31 PolarHBondContact O-N 3.24Å; E27-N31 PolarHBondContact OE2-ND2 3.32Å; N31-N33 HydrophobicContact CB-CB 4.41Å; N31-N33 PolarHBondContact O-N 2.96Å
32C78.4Confident77.5Confident83 Ų8380 Ų8056%0.56142%0.423SS*.  trans47.431.7-173-83.50000113.5F28 W34F28-C32 WeakPolarHBondContact O-CA 3.39Å; F28-C32 PolarHBondContact O-N 3.36Å; C32-W34 PolarHBondContact O-N 3.4Å
33N75.8Confident77.6Confident61 Ų6182.1 Ų82.133%0.32643%0.428SS..  trans-82106.2-178-170.6-7.2000110.1N31 K35 F36N31-N33 HydrophobicContact CB-CB 4.41Å; N31-N33 PolarHBondContact O-N 2.96Å; N33-K35 PolarHBondContact O-N 3.26Å; N33-K35 VanDerWaalsContact OD1-CB 3.32Å; N33-K35 WeakPolarHBondContact OD1-CB 3.26Å; N33-K35 WeakPolarHBondContact OD1-CG 3.5Å; N33-K35 PolarHBondContact OD1-N 3.42Å; N33-K35 VanDerWaalsContact OD1-N 3.11Å; N33-F36 PolarHBondContact O-N 3.28Å; N33-F36 VanDerWaalsContact O-N 3.14Å
34W73.4Confident77.6Confident206 Ų20680.7 Ų80.778%0.7842%0.419SS*.THydrogen-bonded Turntrans-62.3-7.1178.2-70.482.3000114.6F28 C32 F36F28-W34 HydrophobicContact CE2-CD2 4.22Å; F28-W34 HydrophobicContact CE2-CG 4.5Å; C32-W34 PolarHBondContact O-N 3.4Å; W34-F36 VanDerWaalsContact C-N 3.33Å; W34-F36 VanDerWaalsContact O-CD2 3.24Å; W34-F36 WeakPolarHBondContact O-CD2 3.37Å
35K71.1Confident77.6Confident181 Ų18182.2 Ų82.279%0.78743%0.425SS*.THydrogen-bonded Turntrans-80.1-11174.9-63.2-178.6177.91780113.8N33N33-K35 PolarHBondContact O-N 3.26Å; N33-K35 VanDerWaalsContact OD1-CB 3.32Å; N33-K35 WeakPolarHBondContact OD1-CB 3.26Å; N33-K35 WeakPolarHBondContact OD1-CG 3.5Å; N33-K35 PolarHBondContact OD1-N 3.42Å; N33-K35 VanDerWaalsContact OD1-N 3.11Å
36F68.6Low77.8Confident92 Ų9284.6 Ų84.640%0.40443%0.427SS..  trans44.454.7176.6-67.8-79.8000114.3A24 F28 N33 W34 G38A24-F36 HydrophobicContact CB-CB 4.18Å; A24-F36 WeakPolarHBondContact CB-O 3.4Å; F28-F36 HydrophobicContact CB-CD1 3.58Å; F28-F36 HydrophobicContact CB-CE1 3.26Å; F28-F36 HydrophobicContact CB-CZ 4.12Å; F28-F36 AromaticContact CD1-CE1 3.81Å; F28-F36 HydrophobicContact CD1-CE1 3.81Å; F28-F36 HydrophobicContact CD1-CZ 4.13Å; F28-F36 HydrophobicContact CD2-CD1 4.23Å; F28-F36 AromaticContact CD2-CE1 3.45Å; F28-F36 HydrophobicContact CD2-CE1 3.45Å; F28-F36 VanDerWaalsContact CD2-CE1 3.45Å; F28-F36 HydrophobicContact CD2-CE2 4.11Å; F28-F36 AromaticContact CD2-CZ 3.36Å; F28-F36 HydrophobicContact CD2-CZ 3.36Å; F28-F36 HydrophobicContact CE1-CZ 4.41Å; F28-F36 HydrophobicContact CE2-CE1 4.21Å; F28-F36 HydrophobicContact CE2-CE2 4.4Å; F28-F36 AromaticContact CE2-CZ 3.7Å; F28-F36 HydrophobicContact CE2-CZ 3.7Å; F28-F36 HydrophobicContact CG-CD1 4.02Å; F28-F36 AromaticContact CG-CE1 3.2Å; F28-F36 HydrophobicContact CG-CE1 3.2Å; F28-F36 AromaticContact CG-CZ 3.6Å; F28-F36 HydrophobicContact CG-CZ 3.6Å; F28-F36 HydrophobicContact CZ-CZ 4.21Å; N33-F36 PolarHBondContact O-N 3.28Å; N33-F36 VanDerWaalsContact O-N 3.14Å; W34-F36 VanDerWaalsContact C-N 3.33Å; W34-F36 VanDerWaalsContact O-CD2 3.24Å; W34-F36 WeakPolarHBondContact O-CD2 3.37Å; F36-G38 PolarHBondContact O-N 3.25Å
37P72.4Confident78.2Confident49 Ų4980 Ų8032%0.31841%0.41SS..  trans-68104.2-179.428.9-32.7000110.5E27 V39E27-P37 HydrophobicContact CB-CG 4.26Å; E27-P37 HydrophobicContact CG-CG 4.25Å; P37-V39 PolarHBondContact O-N 2.95Å
38G72.1Confident78.4Confident28 Ų2878.1 Ų78.129%0.28940%0.4SS..  trans-9091.2172.500000110.8V20 T23 F36V20-G38 WeakPolarHBondContact O-CA 3.37Å; T23-G38 WeakPolarHBondContact OG1-CA 3.4Å; F36-G38 PolarHBondContact O-N 3.25Å
39V71.3Confident78.5Confident119 Ų11975.3 Ų75.372%0.72139%0.388SS*.  trans-97.5130176.2-175.80000108.6T23 P37T23-V39 PolarHBondContact OG1-O 3.37Å; P37-V39 PolarHBondContact O-N 2.95Å
40T79.2Confident78.8Confident29 Ų2972.5 Ų72.518%0.17837%0.371CS..  trans-148.4163.9171-168.70000110.1Y16 E19 V20Y16-T40 HydrophobicContact CD2-CG2 4.12Å; Y16-T40 HydrophobicContact CE2-CG2 3.44Å; Y16-T40 VanDerWaalsContact CE2-CG2 3.44Å; E19-T40 HydrophobicContact CG-CG2 4.1Å; E19-T40 WeakPolarHBondContact CG-OG1 3.36Å; V20-T40 HydrophobicContact CG2-CG2 3.53Å
41S81Confident79.4Confident27 Ų2768.8 Ų68.819%0.18935%0.348CS..  trans-81149.7178.376.40000111.7W43 A44 P97S41-W43 PolarHBondContact O-N 3.49Å; S41-W43 PolarHBondContact OG-N 3.48Å; S41-A44 VanDerWaalsContact O-CB 3.23Å; S41-A44 WeakPolarHBondContact O-CB 3.39Å; S41-A44 PolarHBondContact O-N 2.82Å; S41-A44 PolarHBondContact OG-N 3.49Å; S41-P97 VanDerWaalsContact OG-CB 3.32Å; S41-P97 WeakPolarHBondContact OG-CB 3.22Å; S41-P97 WeakPolarHBondContact OG-CG 3.28Å
42V83Confident79.6Confident99 Ų9965.4 Ų65.460%0.633%0.33SS*.Hα-helixtrans-61.1-26.6171.1-178.70000111.3A44 F45 F46V42-A44 PolarHBondContact O-N 2.96Å; V42-F45 VanDerWaalsContact O-CB 3.27Å; V42-F45 WeakPolarHBondContact O-CB 3.48Å; V42-F45 PolarHBondContact O-N 3.22Å; V42-F46 HydrophobicContact CG1-CE2 4.14Å
43W80.1Confident79.9Confident141 Ų14163.3 Ų63.353%0.53431%0.313SS..Hα-helixtrans-61.9-32.3175.7-61.1110.9000112.6S41 F45 F46 I47 L90S41-W43 PolarHBondContact O-N 3.49Å; S41-W43 PolarHBondContact OG-N 3.48Å; W43-F45 PolarHBondContact O-N 3.18Å; W43-F46 PolarHBondContact O-N 3.44Å; W43-F46 VanDerWaalsContact O-N 3.09Å; W43-I47 HydrophobicContact CB-CD1 3.95Å; W43-I47 WeakPolarHBondContact O-CB 3.29Å; W43-I47 VanDerWaalsContact O-CD1 3.25Å; W43-I47 WeakPolarHBondContact O-CD1 3.41Å; W43-I47 WeakPolarHBondContact O-CG1 3.49Å; W43-I47 PolarHBondContact O-N 3.19Å; W43-L90 HydrophobicContact CB-CD1 4.49Å; W43-L90 HydrophobicContact CB-CD2 3.98Å; W43-L90 HydrophobicContact CD2-CD2 3.99Å; W43-L90 HydrophobicContact CG-CD2 3.69Å
44A80.9Confident80.5Confident0 Ų063.1 Ų63.10%031%0.312CS..Hα-helixtrans-56.9-35.917600000112.1Y16 E19 S41 V42 F46 I47 Y48 W98Y16-A44 HydrophobicContact CD2-CB 4.49Å; E19-A44 HydrophobicContact CG-CB 4.35Å; S41-A44 VanDerWaalsContact O-CB 3.23Å; S41-A44 WeakPolarHBondContact O-CB 3.39Å; S41-A44 PolarHBondContact O-N 2.82Å; S41-A44 PolarHBondContact OG-N 3.49Å; V42-A44 PolarHBondContact O-N 2.96Å; A44-F46 PolarHBondContact O-N 3.28Å; A44-I47 PolarHBondContact O-N 2.94Å; A44-Y48 HydrophobicContact CB-CD2 4.07Å; A44-Y48 HydrophobicContact CB-CE2 3.88Å; A44-Y48 WeakPolarHBondContact O-CB 3.41Å; A44-Y48 WeakPolarHBondContact O-CD2 3.44Å; A44-Y48 PolarHBondContact O-N 3.24Å; A44-W98 HydrophobicContact CB-CZ3 4.5Å
45F83.8Confident81.1Confident38 Ų3853.7 Ų53.717%0.16728%0.277CS..Hα-helixtrans-57.6-49175.8-177.8-94.7000111.7W8 Y9 A12 I13 Y16 V42 W43 G49W8-F45 HydrophobicContact CH2-CD1 4.38Å; W8-F45 AromaticContact CH2-CE1 3.88Å; W8-F45 HydrophobicContact CH2-CE1 3.88Å; W8-F45 HydrophobicContact CZ3-CE1 4.16Å; Y9-F45 HydrophobicContact CD2-CZ 4.11Å; Y9-F45 HydrophobicContact CE2-CZ 4.17Å; A12-F45 HydrophobicContact CB-CD1 4.04Å; A12-F45 HydrophobicContact CB-CD2 4.01Å; A12-F45 HydrophobicContact CB-CE1 3.61Å; A12-F45 HydrophobicContact CB-CE2 3.58Å; A12-F45 HydrophobicContact CB-CG 4.22Å; A12-F45 HydrophobicContact CB-CZ 3.35Å; I13-F45 HydrophobicContact CG1-CE2 3.83Å; I13-F45 HydrophobicContact CG1-CZ 4.35Å; Y16-F45 HydrophobicContact CD2-CB 3.73Å; Y16-F45 HydrophobicContact CD2-CD2 4.3Å; Y16-F45 HydrophobicContact CE2-CB 4.31Å; Y16-F45 HydrophobicContact CG-CB 4.27Å; Y16-F45 AromaticContact CG-CD2 3.98Å; Y16-F45 HydrophobicContact CG-CD2 3.98Å; V42-F45 VanDerWaalsContact O-CB 3.27Å; V42-F45 WeakPolarHBondContact O-CB 3.48Å; V42-F45 PolarHBondContact O-N 3.22Å; W43-F45 PolarHBondContact O-N 3.18Å; F45-G49 PolarHBondContact O-N 3.1Å; F45-G49 VanDerWaalsContact O-N 3.1Å
46F85.6Confident81.7Confident98 Ų9845.1 Ų45.143%0.4324%0.239SC..Hα-helixtrans-70.9-40.9-179.3-64.9-78.2000111.8W8 V42 W43 A44 T50W8-F46 AromaticContact CH2-CD1 3.71Å; W8-F46 HydrophobicContact CH2-CD1 3.71Å; W8-F46 AromaticContact CH2-CE1 3.95Å; W8-F46 HydrophobicContact CH2-CE1 3.95Å; W8-F46 AromaticContact CZ2-CD1 3.89Å; W8-F46 HydrophobicContact CZ2-CD1 3.89Å; V42-F46 HydrophobicContact CG1-CE2 4.14Å; W43-F46 PolarHBondContact O-N 3.44Å; W43-F46 VanDerWaalsContact O-N 3.09Å; A44-F46 PolarHBondContact O-N 3.28Å; F46-T50 WeakPolarHBondContact O-CB 3.34Å; F46-T50 WeakPolarHBondContact O-CG2 3.46Å; F46-T50 PolarHBondContact O-N 3.32Å; F46-T50 PolarHBondContact O-OG1 2.96Å
47I85.8Confident82.4Confident14 Ų1447.7 Ų47.77%0.07225%0.246CC..Hα-helixtrans-65.9-48.3-176.9-67.4159.6000110.8W43 A44 T50 C51 W82 T86 L90 W98W43-I47 HydrophobicContact CB-CD1 3.95Å; W43-I47 WeakPolarHBondContact O-CB 3.29Å; W43-I47 VanDerWaalsContact O-CD1 3.25Å; W43-I47 WeakPolarHBondContact O-CD1 3.41Å; W43-I47 WeakPolarHBondContact O-CG1 3.49Å; W43-I47 PolarHBondContact O-N 3.19Å; A44-I47 PolarHBondContact O-N 2.94Å; I47-T50 PolarHBondContact O-OG1 3.25Å; I47-C51 VanDerWaalsContact O-CB 3.28Å; I47-C51 WeakPolarHBondContact O-CB 3.3Å; I47-C51 PolarHBondContact O-N 3.26Å; I47-W82 PolarHBondContact O-NE1 3Å; I47-T86 HydrophobicContact CG1-CG2 4.15Å; I47-T86 HydrophobicContact CG2-CG2 4.05Å; I47-L90 HydrophobicContact CD1-CD1 3.36Å; I47-W98 HydrophobicContact CB-CH2 4.23Å; I47-W98 HydrophobicContact CD1-CH2 3.42Å; I47-W98 VanDerWaalsContact CD1-CH2 3.42Å; I47-W98 HydrophobicContact CD1-CZ2 3.64Å; I47-W98 HydrophobicContact CG1-CH2 4.39Å; I47-W98 HydrophobicContact CG2-CH2 3.81Å; I47-W98 HydrophobicContact CG2-CZ2 4.17Å
48Y84.2Confident83Confident29 Ų2947.3 Ų47.311%0.11424%0.241CC..Hα-helixtrans-72.5-40.7179.4-64.5-44.1000112.6E19 A44 T50 C51 I52 W119E19-Y48 HydrophobicContact CB-CD2 4.25Å; E19-Y48 HydrophobicContact CB-CE2 3.68Å; E19-Y48 VanDerWaalsContact CD-OH 3.27Å; E19-Y48 HydrophobicContact CG-CE2 3.71Å; E19-Y48 WeakPolarHBondContact OE2-CE2 3.02Å; E19-Y48 VanDerWaalsContact OE2-CZ 3.25Å; E19-Y48 PolarHBondContact OE2-OH 3.33Å; A44-Y48 HydrophobicContact CB-CD2 4.07Å; A44-Y48 HydrophobicContact CB-CE2 3.88Å; A44-Y48 WeakPolarHBondContact O-CB 3.41Å; A44-Y48 WeakPolarHBondContact O-CD2 3.44Å; A44-Y48 PolarHBondContact O-N 3.24Å; Y48-T50 VanDerWaalsContact C-N 3.34Å; Y48-T50 PolarHBondContact O-N 3.25Å; Y48-C51 PolarHBondContact O-N 2.84Å; Y48-I52 VanDerWaalsContact O-CG1 3.29Å; Y48-I52 WeakPolarHBondContact O-CG1 3.32Å; Y48-I52 PolarHBondContact O-N 2.85Å; Y48-W119 HydrophobicContact CE1-CH2 4.16Å
49G85.2Confident83.5Confident0 Ų046.8 Ų46.80%023%0.231CC..Hα-helixtrans-58.4-44.817700000112.8W8 F45 L53W8-G49 VanDerWaalsContact CD1-O 3.29Å; W8-G49 VanDerWaalsContact NE1-C 3.26Å; F45-G49 PolarHBondContact O-N 3.1Å; F45-G49 VanDerWaalsContact O-N 3.1Å; G49-L53 WeakPolarHBondContact O-CB 3.45Å; G49-L53 PolarHBondContact O-N 2.82Å
50T86.9Confident84.1Confident45 Ų4544 Ų4428%0.27621%0.211SC..Hα-helixtrans-69.4-42.517749.70000112.3W8 F46 I47 Y48 I52 L53 I54 W82W8-T50 HydrophobicContact CZ2-CG2 4.41Å; W8-T50 VanDerWaalsContact NE1-CG2 3.34Å; F46-T50 WeakPolarHBondContact O-CB 3.34Å; F46-T50 WeakPolarHBondContact O-CG2 3.46Å; F46-T50 PolarHBondContact O-N 3.32Å; F46-T50 PolarHBondContact O-OG1 2.96Å; I47-T50 PolarHBondContact O-OG1 3.25Å; Y48-T50 VanDerWaalsContact C-N 3.34Å; Y48-T50 PolarHBondContact O-N 3.25Å; T50-I52 PolarHBondContact O-N 3.36Å; T50-L53 PolarHBondContact O-N 2.97Å; T50-I54 WeakPolarHBondContact O-CG1 3.31Å; T50-I54 PolarHBondContact O-N 2.84Å; T50-I54 VanDerWaalsContact O-N 3.07Å; T50-W82 WeakPolarHBondContact OG1-CZ2 3.07Å
51C88.1Confident84.3Confident8 Ų847 Ų475%0.05423%0.23CC..Hα-helixtrans-56.6-52.1176.3-1750000111.7I47 Y48 L53 I54 V55 W82I47-C51 VanDerWaalsContact O-CB 3.28Å; I47-C51 WeakPolarHBondContact O-CB 3.3Å; I47-C51 PolarHBondContact O-N 3.26Å; Y48-C51 PolarHBondContact O-N 2.84Å; C51-L53 VanDerWaalsContact C-N 3.3Å; C51-L53 PolarHBondContact O-N 3.02Å; C51-I54 PolarHBondContact O-N 2.91Å; C51-I54 VanDerWaalsContact O-N 3.14Å; C51-V55 WeakPolarHBondContact O-CG2 3.19Å; C51-V55 PolarHBondContact O-N 3.48Å; C51-W82 HydrophobicContact CB-CG 4.14Å
52I84.9Confident84.3Confident27 Ų2747.3 Ų47.314%0.13823%0.229CC..Hα-helixtrans-64.7-35.7-178-63.1164.8000111.2Y11 Y48 T50 I54 V55 E56Y11-I52 HydrophobicContact CD1-CG2 3.75Å; Y11-I52 HydrophobicContact CD2-CB 4.42Å; Y11-I52 HydrophobicContact CD2-CG2 3.79Å; Y11-I52 HydrophobicContact CE1-CG2 4.3Å; Y11-I52 HydrophobicContact CE2-CG2 4.32Å; Y11-I52 HydrophobicContact CG-CB 4.2Å; Y11-I52 HydrophobicContact CG-CG2 3.48Å; Y11-I52 VanDerWaalsContact CG-CG2 3.48Å; Y48-I52 VanDerWaalsContact O-CG1 3.29Å; Y48-I52 WeakPolarHBondContact O-CG1 3.32Å; Y48-I52 PolarHBondContact O-N 2.85Å; T50-I52 PolarHBondContact O-N 3.36Å; I52-I54 VanDerWaalsContact C-N 3.35Å; I52-I54 PolarHBondContact O-N 2.91Å; I52-V55 PolarHBondContact O-N 2.74Å; I52-E56 PolarHBondContact O-N 2.85Å
53L85.6Confident84.1Confident39 Ų3948.6 Ų48.620%0.20422%0.223CC..Hα-helixtrans-63.7-40.3175.5-172.672.4000112W8 Y11 G49 T50 C51 E56 R57W8-L53 HydrophobicContact CB-CD1 4.35Å; W8-L53 HydrophobicContact CB-CD2 4.16Å; W8-L53 HydrophobicContact CG-CD2 4.31Å; Y11-L53 HydrophobicContact CD2-CD1 4.36Å; Y11-L53 HydrophobicContact CE2-CD1 4.24Å; G49-L53 WeakPolarHBondContact O-CB 3.45Å; G49-L53 PolarHBondContact O-N 2.82Å; T50-L53 PolarHBondContact O-N 2.97Å; C51-L53 VanDerWaalsContact C-N 3.3Å; C51-L53 PolarHBondContact O-N 3.02Å; L53-E56 PolarHBondContact O-N 3.42Å; L53-R57 PolarHBondContact O-N 3.49Å
54I87.4Confident83.9Confident57 Ų5745.4 Ų45.429%0.29223%0.234SC..Hα-helixtrans-67.3-43.4175.6-64.7167.7000110T50 C51 I52 E56 R57 M58 W78 W82T50-I54 WeakPolarHBondContact O-CG1 3.31Å; T50-I54 PolarHBondContact O-N 2.84Å; T50-I54 VanDerWaalsContact O-N 3.07Å; C51-I54 PolarHBondContact O-N 2.91Å; C51-I54 VanDerWaalsContact O-N 3.14Å; I52-I54 VanDerWaalsContact C-N 3.35Å; I52-I54 PolarHBondContact O-N 2.91Å; I54-E56 VanDerWaalsContact C-N 3.27Å; I54-E56 PolarHBondContact O-N 3.25Å; I54-R57 WeakPolarHBondContact O-CA 3.4Å; I54-R57 WeakPolarHBondContact O-CB 3.3Å; I54-R57 PolarHBondContact O-N 3.38Å; I54-M58 HydrophobicContact CG2-CG 4.45Å; I54-M58 HydrophobicContact CG2-SD 4.15Å; I54-M58 WeakPolarHBondContact O-CG 3.33Å; I54-M58 PolarHBondContact O-N 2.96Å; I54-W78 HydrophobicContact CB-CZ2 4.19Å; I54-W78 HydrophobicContact CD1-CH2 4.43Å; I54-W78 HydrophobicContact CD1-CZ2 3.66Å; I54-W78 HydrophobicContact CG2-CH2 4.28Å; I54-W78 HydrophobicContact CG2-CZ2 3.61Å; I54-W82 HydrophobicContact CD1-CE3 4.47Å; I54-W82 HydrophobicContact CD1-CH2 4.08Å; I54-W82 HydrophobicContact CD1-CZ3 3.88Å
55V85.7Confident83.8Confident7 Ų755.7 Ų55.74%0.04227%0.273CS..Hα-helixtrans-59.3-36.8174.5175.70000111.5C51 I52 R57 M58 Y59 Y75 I131C51-V55 WeakPolarHBondContact O-CG2 3.19Å; C51-V55 PolarHBondContact O-N 3.48Å; I52-V55 PolarHBondContact O-N 2.74Å; V55-R57 PolarHBondContact O-N 3.23Å; V55-M58 PolarHBondContact O-N 3.01Å; V55-Y59 WeakPolarHBondContact O-CB 3.41Å; V55-Y59 PolarHBondContact O-N 3.1Å; V55-Y75 HydrophobicContact CG1-CD1 3.9Å; V55-Y75 HydrophobicContact CG1-CD2 3.96Å; V55-Y75 HydrophobicContact CG1-CE1 4.15Å; V55-Y75 HydrophobicContact CG1-CE2 4.17Å; V55-Y75 HydrophobicContact CG1-CG 3.83Å; V55-I131 HydrophobicContact CG1-CD1 3.89Å
56E83.6Confident83.8Confident1 Ų155.6 Ų55.61%0.00528%0.277CS..Hα-helixtrans-61.2-42.9172.7-169.3-166.9162.600111.6R7 Y11 I52 L53 I54 Y59 L60 I131 R138R7-E56 IonicContact CZ-OE1 3.88Å; R7-E56 IonicContact CZ-OE2 2.94Å; R7-E56 IonicContact NH1-OE1 2.72Å; R7-E56 PolarHBondContact NH1-OE1 2.75Å; R7-E56 IonicContact NH1-OE2 3.15Å; R7-E56 PolarHBondContact NH1-OE2 3.4Å; Y11-E56 HydrophobicContact CE2-CB 4.41Å; Y11-E56 WeakPolarHBondContact CE2-OE2 3.03Å; Y11-E56 PolarHBondContact OH-OE2 3.33Å; I52-E56 PolarHBondContact O-N 2.85Å; L53-E56 PolarHBondContact O-N 3.42Å; I54-E56 VanDerWaalsContact C-N 3.27Å; I54-E56 PolarHBondContact O-N 3.25Å; E56-Y59 WeakPolarHBondContact O-CB 3.43Å; E56-Y59 PolarHBondContact O-N 2.76Å; E56-L60 WeakPolarHBondContact O-CG 3.22Å; E56-L60 PolarHBondContact O-N 2.94Å; E56-I131 HydrophobicContact CG-CG2 4.42Å; E56-R138 IonicContact OE1-NH2 3.29Å; E56-R138 PolarHBondContact OE1-NH2 3.43Å; E56-R138 VanDerWaalsContact OE1-NH2 3.15Å
57R84.5Confident83.8Confident146 Ų14655.2 Ų55.255%0.55128%0.284SS*.Hα-helixtrans-64.4-41.4177.2-66.4-66.8-170.81664.7111.7L53 I54 V55 L60 T61L53-R57 PolarHBondContact O-N 3.49Å; I54-R57 WeakPolarHBondContact O-CA 3.4Å; I54-R57 WeakPolarHBondContact O-CB 3.3Å; I54-R57 PolarHBondContact O-N 3.38Å; V55-R57 PolarHBondContact O-N 3.23Å; R57-L60 PolarHBondContact O-N 3.37Å; R57-T61 PolarHBondContact O-N 3.32Å; R57-T61 PolarHBondContact O-OG1 2.95Å
58M84.2Confident83.6Confident42 Ų4256.8 Ų56.821%0.20729%0.294CS..Hα-helixtrans-62.3-44.1173.6-65.2173.273.500110.8I54 V55 L60 T61 L62 I74 Y75 W78I54-M58 HydrophobicContact CG2-CG 4.45Å; I54-M58 HydrophobicContact CG2-SD 4.15Å; I54-M58 WeakPolarHBondContact O-CG 3.33Å; I54-M58 PolarHBondContact O-N 2.96Å; V55-M58 PolarHBondContact O-N 3.01Å; M58-L60 PolarHBondContact O-N 2.88Å; M58-T61 PolarHBondContact O-N 3.15Å; M58-T61 VanDerWaalsContact O-N 3.14Å; M58-L62 WeakPolarHBondContact O-CB 3.14Å; M58-L62 WeakPolarHBondContact O-CD1 3.23Å; M58-L62 PolarHBondContact O-N 3.42Å; M58-I74 HydrophobicContact CE-CG2 3.42Å; M58-I74 VanDerWaalsContact CE-CG2 3.42Å; M58-Y75 HydrophobicContact CB-CE1 4.06Å; M58-W78 HydrophobicContact CE-CB 4.35Å; M58-W78 HydrophobicContact SD-CB 4.43Å; M58-W78 HydrophobicContact SD-CD2 4.26Å; M58-W78 HydrophobicContact SD-CG 4.08Å
59Y83.1Confident83.4Confident17 Ų1760.9 Ų60.97%0.06732%0.317CS..Hα-helixtrans-55.6-48.6175.2174.6-80000112V55 E56 T61 L62 R63 Y75 E127 I131 R132 L135V55-Y59 WeakPolarHBondContact O-CB 3.41Å; V55-Y59 PolarHBondContact O-N 3.1Å; E56-Y59 WeakPolarHBondContact O-CB 3.43Å; E56-Y59 PolarHBondContact O-N 2.76Å; Y59-T61 PolarHBondContact O-N 2.72Å; Y59-L62 PolarHBondContact O-N 3.04Å; Y59-R63 HydrophobicContact CD1-CB 4.38Å; Y59-R63 HydrophobicContact CE1-CB 4.05Å; Y59-R63 HydrophobicContact CE1-CG 4.41Å; Y59-R63 WeakPolarHBondContact O-CB 3.37Å; Y59-R63 WeakPolarHBondContact O-CG 3.14Å; Y59-R63 PolarHBondContact O-N 3.1Å; Y59-Y75 WeakPolarHBondContact CA-OH 3.32Å; Y59-Y75 WeakPolarHBondContact CB-OH 3.4Å; Y59-E127 HydrophobicContact CD2-CG 4Å; Y59-E127 HydrophobicContact CE2-CG 3.8Å; Y59-I131 HydrophobicContact CD1-CG2 3.5Å; Y59-I131 VanDerWaalsContact CD1-CG2 3.5Å; Y59-I131 HydrophobicContact CD2-CB 4.33Å; Y59-I131 HydrophobicContact CD2-CD1 4.35Å; Y59-I131 HydrophobicContact CD2-CG2 3.63Å; Y59-I131 HydrophobicContact CE1-CG2 3.84Å; Y59-I131 HydrophobicContact CE2-CG2 3.97Å; Y59-I131 HydrophobicContact CG-CD1 4.46Å; Y59-I131 HydrophobicContact CG-CG2 3.45Å; Y59-I131 VanDerWaalsContact CG-CG2 3.45Å; Y59-R132 WeakPolarHBondContact OH-CG 3.36Å; Y59-L135 HydrophobicContact CD1-CD1 3.62Å; Y59-L135 HydrophobicContact CE1-CD1 3.3Å
60L82.8Confident83.3Confident60 Ų6064.7 Ų64.731%0.31434%0.337SS..Hα-helixtrans-61-32.2-179-70.6173.2000112.4E56 R57 M58 L135E56-L60 WeakPolarHBondContact O-CG 3.22Å; E56-L60 PolarHBondContact O-N 2.94Å; R57-L60 PolarHBondContact O-N 3.37Å; M58-L60 PolarHBondContact O-N 2.88Å; L60-L135 HydrophobicContact CD2-CD1 3.9Å; L60-L135 HydrophobicContact CD2-CD2 4.02Å
61T83.9Confident83.2Confident92 Ų9262.9 Ų62.956%0.56433%0.325SS*.Hα-helixtrans-81-41.2179.7-50.90000112R57 M58 Y59R57-T61 PolarHBondContact O-N 3.32Å; R57-T61 PolarHBondContact O-OG1 2.95Å; M58-T61 PolarHBondContact O-N 3.15Å; M58-T61 VanDerWaalsContact O-N 3.14Å; Y59-T61 PolarHBondContact O-N 2.72Å
62L81.7Confident83Confident34 Ų3462.5 Ų62.518%0.17832%0.323CS..Hα-helixtrans-91-19.6-172.5-84.370.7000114M58 Y59 G64 R65 C66 R71 I74M58-L62 WeakPolarHBondContact O-CB 3.14Å; M58-L62 WeakPolarHBondContact O-CD1 3.23Å; M58-L62 PolarHBondContact O-N 3.42Å; Y59-L62 PolarHBondContact O-N 3.04Å; L62-G64 PolarHBondContact O-N 2.92Å; L62-R65 PolarHBondContact O-N 3.47Å; L62-C66 PolarHBondContact O-N 2.84Å; L62-C66 VanDerWaalsContact O-N 3.13Å; L62-R71 HydrophobicContact CB-CG 4.04Å; L62-R71 HydrophobicContact CD2-CG 4.2Å; L62-I74 HydrophobicContact CD2-CD1 3.53Å; L62-I74 HydrophobicContact CD2-CG2 4.34Å
63R78.9Confident83Confident126 Ų12665.1 Ų65.148%0.47534%0.336SS..THydrogen-bonded Turntrans-56.5-25.5-173.368.3178.2-140.6-176.87.3114.9Y59Y59-R63 HydrophobicContact CD1-CB 4.38Å; Y59-R63 HydrophobicContact CE1-CB 4.05Å; Y59-R63 HydrophobicContact CE1-CG 4.41Å; Y59-R63 WeakPolarHBondContact O-CB 3.37Å; Y59-R63 WeakPolarHBondContact O-CG 3.14Å; Y59-R63 PolarHBondContact O-N 3.1Å
64G75.4Confident83Confident74 Ų7465.7 Ų65.776%0.76334%0.339SS*.THydrogen-bonded Turntrans-100.7-3-179.700000114.9L62L62-G64 PolarHBondContact O-N 2.92Å
65R79.6Confident82.9Confident215 Ų21563.1 Ų63.181%0.81133%0.325SS*.THydrogen-bonded Turntrans-120.4-25.3-173.2-64.5-172.1179.9-179.50.8114L62L62-R65 PolarHBondContact O-N 3.47Å
66C82.4Confident82.9Confident37 Ų3763.4 Ų63.425%0.2533%0.327CS..SBendtrans-129146.2-171.6-59.90000112.3L62 L70 R71L62-C66 PolarHBondContact O-N 2.84Å; L62-C66 VanDerWaalsContact O-N 3.13Å; C66-L70 HydrophobicContact CB-CD2 4.22Å; C66-R71 HydrophobicContact CB-CG 3.77Å; C66-R71 WeakPolarHBondContact O-CD 3.08Å
67P85.3Confident83Confident90 Ų9068.2 Ų68.258%0.58435%0.353SS*.  trans-65157.217229-34.2000111L69 L70 R71P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 2.72Å; P67-L70 HydrophobicContact CG-CB 4.04Å; P67-L70 PolarHBondContact O-N 2.96Å; P67-R71 WeakPolarHBondContact O-CG 3.4Å; P67-R71 PolarHBondContact O-N 3.38Å
68V81.4Confident83.2Confident46 Ų4664.4 Ų64.428%0.27934%0.338SS..Hα-helixtrans-57.1-39.3-175.8175.10000112.1R71 C72 F124V68-R71 WeakPolarHBondContact O-CB 3.46Å; V68-R71 PolarHBondContact O-N 3.42Å; V68-C72 PolarHBondContact O-N 3.34Å; V68-C72 PolarHBondContact O-SG 2.82Å; V68-F124 HydrophobicContact CG1-CD2 4.24Å; V68-F124 HydrophobicContact CG1-CE2 4.03Å
69L81.3Confident83.3Confident116 Ų11663.1 Ų63.161%0.60733%0.333SS*.Hα-helixtrans-62-49.5-179.8-70.3171.4000112.4P67 R71 C72 I73 F120P67-L69 VanDerWaalsContact C-N 3.27Å; P67-L69 PolarHBondContact O-N 2.72Å; L69-R71 PolarHBondContact O-N 2.86Å; L69-C72 WeakPolarHBondContact O-CB 3.28Å; L69-C72 PolarHBondContact O-N 3.33Å; L69-C72 VanDerWaalsContact O-N 3.14Å; L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.24Å; L69-F120 HydrophobicContact CD2-CZ 4.15Å
70L83.3Confident83.2Confident80 Ų8063.9 Ų63.942%0.41934%0.336SS..Hα-helixtrans-61.7-36179-17563.1000111.2C66 P67 I73 I74C66-L70 HydrophobicContact CB-CD2 4.22Å; P67-L70 HydrophobicContact CG-CB 4.04Å; P67-L70 PolarHBondContact O-N 2.96Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I74 HydrophobicContact CG-CD1 4.19Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.04Å
71R84.4Confident83.4Confident6 Ų666.7 Ų66.72%0.02335%0.351CS..Hα-helixtrans-66.8-42176-69.7171.651.1-137.2-30.7112.1L62 C66 P67 V68 L69 I73 I74 Y75 E127L62-R71 HydrophobicContact CB-CG 4.04Å; L62-R71 HydrophobicContact CD2-CG 4.2Å; C66-R71 HydrophobicContact CB-CG 3.77Å; C66-R71 WeakPolarHBondContact O-CD 3.08Å; P67-R71 WeakPolarHBondContact O-CG 3.4Å; P67-R71 PolarHBondContact O-N 3.38Å; V68-R71 WeakPolarHBondContact O-CB 3.46Å; V68-R71 PolarHBondContact O-N 3.42Å; L69-R71 PolarHBondContact O-N 2.86Å; R71-I73 VanDerWaalsContact C-N 3.32Å; R71-I73 PolarHBondContact O-N 3.3Å; R71-I74 PolarHBondContact O-N 2.87Å; R71-Y75 HydrophobicContact CB-CE2 4.25Å; R71-Y75 PolarHBondContact NE-OH 3.07Å; R71-Y75 PolarHBondContact NH2-OH 2.78Å; R71-Y75 VanDerWaalsContact NH2-OH 3.07Å; R71-Y75 VanDerWaalsContact O-CD1 3.3Å; R71-Y75 WeakPolarHBondContact O-CD1 3.36Å; R71-Y75 WeakPolarHBondContact O-CD2 3.28Å; R71-Y75 PolarHBondContact O-N 3.14Å; R71-E127 IonicContact CZ-OE1 2.75Å; R71-E127 VanDerWaalsContact CZ-OE1 3.29Å; R71-E127 IonicContact CZ-OE2 2.65Å; R71-E127 IonicContact NE-OE2 3.92Å; R71-E127 IonicContact NH1-OE1 3.74Å; R71-E127 PolarHBondContact NH1-OE1 3.11Å; R71-E127 IonicContact NH2-OE1 3.29Å; R71-E127 PolarHBondContact NH2-OE1 2.87Å; R71-E127 IonicContact NH2-OE2 3.85Å; R71-E127 PolarHBondContact NH2-OE2 3.13Å
72C83.2Confident83.6Confident0 Ų065.4 Ų65.40%034%0.336CS..Hα-helixtrans-60.7-42174.3-64.90000111.4V68 L69 I74 Y75 T76 F120V68-C72 PolarHBondContact O-N 3.34Å; V68-C72 PolarHBondContact O-SG 2.82Å; L69-C72 WeakPolarHBondContact O-CB 3.28Å; L69-C72 PolarHBondContact O-N 3.33Å; L69-C72 VanDerWaalsContact O-N 3.14Å; C72-I74 PolarHBondContact O-N 3.46Å; C72-Y75 PolarHBondContact O-N 3.35Å; C72-T76 PolarHBondContact O-N 3.26Å; C72-T76 PolarHBondContact O-OG1 3.46Å; C72-F120 HydrophobicContact CB-CD2 4.05Å; C72-F120 HydrophobicContact CB-CE2 3.47Å; C72-F120 VanDerWaalsContact CB-CE2 3.47Å; C72-F120 HydrophobicContact CB-CZ 3.87Å
73I84.6Confident83.7Confident83 Ų8364.2 Ų64.243%0.42633%0.329SS..Hα-helixtrans-59.5-48.3174.6-64.5169.9000110.7L69 L70 R71 Y75 T76 L77 F120L69-I73 WeakPolarHBondContact O-CG1 3.44Å; L69-I73 PolarHBondContact O-N 3.24Å; L70-I73 PolarHBondContact O-N 2.93Å; R71-I73 VanDerWaalsContact C-N 3.32Å; R71-I73 PolarHBondContact O-N 3.3Å; I73-Y75 VanDerWaalsContact C-N 3.29Å; I73-Y75 PolarHBondContact O-N 3.18Å; I73-T76 PolarHBondContact O-N 3.48Å; I73-L77 HydrophobicContact CG2-CD1 4.09Å; I73-L77 HydrophobicContact CG2-CG 4.42Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.48Å; I73-F120 HydrophobicContact CG1-CE2 4.01Å
74I87.2Confident83.8Confident51 Ų5160.8 Ų60.826%0.26232%0.317SS..Hα-helixtrans-60.2-41.1178.6-69.5166.7000111.1M58 L62 L70 R71 C72 L77 W78M58-I74 HydrophobicContact CE-CG2 3.42Å; M58-I74 VanDerWaalsContact CE-CG2 3.42Å; L62-I74 HydrophobicContact CD2-CD1 3.53Å; L62-I74 HydrophobicContact CD2-CG2 4.34Å; L70-I74 HydrophobicContact CG-CD1 4.19Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.04Å; R71-I74 PolarHBondContact O-N 2.87Å; C72-I74 PolarHBondContact O-N 3.46Å; I74-L77 PolarHBondContact O-N 3.5Å; I74-W78 WeakPolarHBondContact O-CB 3.21Å; I74-W78 PolarHBondContact O-N 3.24Å
75Y85.1Confident84.2Confident2 Ų259 Ų591%0.00830%0.299CS..Hα-helixtrans-67-41.4177.4-57.7-19.3000111.8V55 M58 Y59 R71 C72 I73 W78 T79 E127V55-Y75 HydrophobicContact CG1-CD1 3.9Å; V55-Y75 HydrophobicContact CG1-CD2 3.96Å; V55-Y75 HydrophobicContact CG1-CE1 4.15Å; V55-Y75 HydrophobicContact CG1-CE2 4.17Å; V55-Y75 HydrophobicContact CG1-CG 3.83Å; M58-Y75 HydrophobicContact CB-CE1 4.06Å; Y59-Y75 WeakPolarHBondContact CA-OH 3.32Å; Y59-Y75 WeakPolarHBondContact CB-OH 3.4Å; R71-Y75 HydrophobicContact CB-CE2 4.25Å; R71-Y75 PolarHBondContact NE-OH 3.07Å; R71-Y75 PolarHBondContact NH2-OH 2.78Å; R71-Y75 VanDerWaalsContact NH2-OH 3.07Å; R71-Y75 VanDerWaalsContact O-CD1 3.3Å; R71-Y75 WeakPolarHBondContact O-CD1 3.36Å; R71-Y75 WeakPolarHBondContact O-CD2 3.28Å; R71-Y75 PolarHBondContact O-N 3.14Å; C72-Y75 PolarHBondContact O-N 3.35Å; I73-Y75 VanDerWaalsContact C-N 3.29Å; I73-Y75 PolarHBondContact O-N 3.18Å; Y75-W78 PolarHBondContact O-N 3.24Å; Y75-T79 PolarHBondContact O-N 3.47Å; Y75-T79 PolarHBondContact O-OG1 3.37Å; Y75-E127 HydrophobicContact CE2-CB 4.28Å; Y75-E127 VanDerWaalsContact CE2-OE2 3.26Å; Y75-E127 WeakPolarHBondContact CE2-OE2 3.46Å
76T84.9Confident84.4Confident13 Ų1349.6 Ų49.68%0.0827%0.266CS..Hα-helixtrans-62-44.5175.7-570000111.4C72 I73 W78 T79 Y80 W119 F120 S123C72-T76 PolarHBondContact O-N 3.26Å; C72-T76 PolarHBondContact O-OG1 3.46Å; I73-T76 PolarHBondContact O-N 3.48Å; T76-W78 VanDerWaalsContact C-N 3.34Å; T76-W78 PolarHBondContact O-N 3.15Å; T76-T79 PolarHBondContact O-N 2.89Å; T76-Y80 HydrophobicContact CG2-CD2 3.92Å; T76-Y80 HydrophobicContact CG2-CE2 3.79Å; T76-Y80 VanDerWaalsContact O-CD2 3.27Å; T76-Y80 WeakPolarHBondContact O-CD2 3.34Å; T76-Y80 PolarHBondContact O-N 2.91Å; T76-W119 HydrophobicContact CG2-CB 4.05Å; T76-F120 WeakPolarHBondContact OG1-CA 3.42Å; T76-S123 PolarHBondContact OG1-OG 3.16Å
77L86.4Confident84.2Confident103 Ų10347.9 Ų47.954%0.53925%0.254SS..Hα-helixtrans-61.7-42174.8-69.8173.7000112I73 I74 Y80 L81I73-L77 HydrophobicContact CG2-CD1 4.09Å; I73-L77 HydrophobicContact CG2-CG 4.42Å; I73-L77 WeakPolarHBondContact O-CG 3.38Å; I73-L77 PolarHBondContact O-N 3.48Å; I74-L77 PolarHBondContact O-N 3.5Å; L77-Y80 PolarHBondContact O-N 2.89Å; L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.37Å
78W88Confident83.9Confident65 Ų6546.3 Ų46.325%0.24624%0.241CC..Hα-helixtrans-62.3-46.6175.5173-99.8000111.9I54 M58 I74 Y75 T76 Y80 L81 W82I54-W78 HydrophobicContact CB-CZ2 4.19Å; I54-W78 HydrophobicContact CD1-CH2 4.43Å; I54-W78 HydrophobicContact CD1-CZ2 3.66Å; I54-W78 HydrophobicContact CG2-CH2 4.28Å; I54-W78 HydrophobicContact CG2-CZ2 3.61Å; M58-W78 HydrophobicContact CE-CB 4.35Å; M58-W78 HydrophobicContact SD-CB 4.43Å; M58-W78 HydrophobicContact SD-CD2 4.26Å; M58-W78 HydrophobicContact SD-CG 4.08Å; I74-W78 WeakPolarHBondContact O-CB 3.21Å; I74-W78 PolarHBondContact O-N 3.24Å; Y75-W78 PolarHBondContact O-N 3.24Å; T76-W78 VanDerWaalsContact C-N 3.34Å; T76-W78 PolarHBondContact O-N 3.15Å; W78-Y80 VanDerWaalsContact C-N 3.29Å; W78-Y80 PolarHBondContact O-N 2.73Å; W78-L81 PolarHBondContact O-N 3.49Å; W78-W82 AromaticContact CH2-CE3 3.96Å; W78-W82 HydrophobicContact CH2-CE3 3.96Å; W78-W82 HydrophobicContact CH2-CZ3 4.27Å; W78-W82 HydrophobicContact CZ2-CD2 4.27Å; W78-W82 AromaticContact CZ2-CE3 3.42Å; W78-W82 HydrophobicContact CZ2-CE3 3.42Å; W78-W82 VanDerWaalsContact CZ2-CE3 3.42Å; W78-W82 AromaticContact CZ2-CZ3 3.89Å; W78-W82 HydrophobicContact CZ2-CZ3 3.89Å; W78-W82 WeakPolarHBondContact O-CB 3.37Å; W78-W82 PolarHBondContact O-N 2.99Å
79T85.4Confident83.8Confident15 Ų1548.9 Ų48.99%0.09225%0.252CS..Hα-helixtrans-58.8-43.7177.6-59.60000111Y75 T76 W82 E83 W119Y75-T79 PolarHBondContact O-N 3.47Å; Y75-T79 PolarHBondContact O-OG1 3.37Å; T76-T79 PolarHBondContact O-N 2.89Å; T79-W82 PolarHBondContact O-N 2.99Å; T79-E83 VanDerWaalsContact O-CB 3.28Å; T79-E83 WeakPolarHBondContact O-CB 3.17Å; T79-E83 PolarHBondContact O-N 3.29Å; T79-W119 HydrophobicContact CG2-CD2 3.89Å; T79-W119 HydrophobicContact CG2-CE3 3.55Å; T79-W119 HydrophobicContact CG2-CH2 3.82Å; T79-W119 HydrophobicContact CG2-CZ2 4.12Å; T79-W119 HydrophobicContact CG2-CZ3 3.52Å
80Y82.6Confident83.6Confident33 Ų3344 Ų4413%0.12923%0.227CC..Hα-helixtrans-60.6-47.4174.2-85.3-57000112.7T76 L77 W78 W82 E83 F84 I111 T112 Y115 A116 W119T76-Y80 HydrophobicContact CG2-CD2 3.92Å; T76-Y80 HydrophobicContact CG2-CE2 3.79Å; T76-Y80 VanDerWaalsContact O-CD2 3.27Å; T76-Y80 WeakPolarHBondContact O-CD2 3.34Å; T76-Y80 PolarHBondContact O-N 2.91Å; L77-Y80 PolarHBondContact O-N 2.89Å; W78-Y80 VanDerWaalsContact C-N 3.29Å; W78-Y80 PolarHBondContact O-N 2.73Å; Y80-W82 VanDerWaalsContact C-N 3.26Å; Y80-W82 PolarHBondContact O-N 3.13Å; Y80-E83 PolarHBondContact O-N 3.43Å; Y80-F84 WeakPolarHBondContact O-CB 3.39Å; Y80-F84 PolarHBondContact O-N 3.01Å; Y80-I111 HydrophobicContact CD1-CB 4.45Å; Y80-I111 HydrophobicContact CD1-CD1 4.03Å; Y80-I111 HydrophobicContact CD1-CG1 4.3Å; Y80-I111 HydrophobicContact CD1-CG2 3.35Å; Y80-I111 HydrophobicContact CE1-CG2 3.36Å; Y80-I111 WeakPolarHBondContact O-CD1 3.45Å; Y80-T112 PolarHBondContact OH-O 3.43Å; Y80-Y115 VanDerWaalsContact OH-C 3.27Å; Y80-A116 HydrophobicContact CE2-CB 4.17Å; Y80-A116 WeakPolarHBondContact OH-CA 3.45Å; Y80-A116 WeakPolarHBondContact OH-CB 3.49Å; Y80-A116 PolarHBondContact OH-N 3.26Å; Y80-W119 AromaticContact CZ-CD1 3.97Å
81L86.5Confident83.3Confident120 Ų12046.5 Ų46.563%0.62823%0.23SC*.Hα-helixtrans-60.4-38.9176.5-72.5169.4000112L77 W78 G85L77-L81 WeakPolarHBondContact O-CG 3.44Å; L77-L81 PolarHBondContact O-N 3.37Å; W78-L81 PolarHBondContact O-N 3.49Å; L81-G85 PolarHBondContact O-N 3.1Å
82W87.3Confident82.9Confident65 Ų6553.5 Ų53.525%0.24626%0.263CS..Hα-helixtrans-68.4-46.7179.6-169.9-99.3000112.2I47 T50 C51 I54 W78 T79 Y80 F84 G85 T86I47-W82 PolarHBondContact O-NE1 3Å; T50-W82 WeakPolarHBondContact OG1-CZ2 3.07Å; C51-W82 HydrophobicContact CB-CG 4.14Å; I54-W82 HydrophobicContact CD1-CE3 4.47Å; I54-W82 HydrophobicContact CD1-CH2 4.08Å; I54-W82 HydrophobicContact CD1-CZ3 3.88Å; W78-W82 AromaticContact CH2-CE3 3.96Å; W78-W82 HydrophobicContact CH2-CE3 3.96Å; W78-W82 HydrophobicContact CH2-CZ3 4.27Å; W78-W82 HydrophobicContact CZ2-CD2 4.27Å; W78-W82 AromaticContact CZ2-CE3 3.42Å; W78-W82 HydrophobicContact CZ2-CE3 3.42Å; W78-W82 VanDerWaalsContact CZ2-CE3 3.42Å; W78-W82 AromaticContact CZ2-CZ3 3.89Å; W78-W82 HydrophobicContact CZ2-CZ3 3.89Å; W78-W82 WeakPolarHBondContact O-CB 3.37Å; W78-W82 PolarHBondContact O-N 2.99Å; T79-W82 PolarHBondContact O-N 2.99Å; Y80-W82 VanDerWaalsContact C-N 3.26Å; Y80-W82 PolarHBondContact O-N 3.13Å; W82-F84 VanDerWaalsContact C-N 3.32Å; W82-F84 PolarHBondContact O-N 3.03Å; W82-G85 PolarHBondContact O-N 3.09Å; W82-T86 HydrophobicContact CD2-CG2 4.29Å; W82-T86 HydrophobicContact CG-CG2 4.44Å; W82-T86 HydrophobicContact CZ2-CG2 4.19Å; W82-T86 WeakPolarHBondContact O-CB 3.5Å; W82-T86 WeakPolarHBondContact O-CG2 3.12Å; W82-T86 PolarHBondContact O-N 3.31Å; W82-T86 PolarHBondContact O-OG1 3.28Å
83E84Confident82.6Confident9 Ų960.7 Ų60.74%0.04230%0.295CS..Hα-helixtrans-61-41.6175.8-168.5176.1164.500110.9T79 Y80 T86 G87 Y100 I111 W119T79-E83 VanDerWaalsContact O-CB 3.28Å; T79-E83 WeakPolarHBondContact O-CB 3.17Å; T79-E83 PolarHBondContact O-N 3.29Å; Y80-E83 PolarHBondContact O-N 3.43Å; E83-T86 PolarHBondContact O-OG1 2.82Å; E83-G87 WeakPolarHBondContact O-CA 3.23Å; E83-G87 PolarHBondContact O-N 3.02Å; E83-Y100 WeakPolarHBondContact OE1-CE2 3.33Å; E83-Y100 PolarHBondContact OE1-OH 3.38Å; E83-I111 HydrophobicContact CG-CG1 4.42Å; E83-W119 VanDerWaalsContact OE2-CZ2 3.29Å; E83-W119 WeakPolarHBondContact OE2-CZ2 3.44Å; E83-W119 PolarHBondContact OE2-NE1 2.93Å
84F82.4Confident81.9Confident53 Ų5364.3 Ų64.323%0.23232%0.315CS..Hα-helixtrans-61.1-52.7174.6-166.6-118.9000111.4Y80 W82 G87 L88 F107 M108 L110 I111Y80-F84 WeakPolarHBondContact O-CB 3.39Å; Y80-F84 PolarHBondContact O-N 3.01Å; W82-F84 VanDerWaalsContact C-N 3.32Å; W82-F84 PolarHBondContact O-N 3.03Å; F84-G87 PolarHBondContact O-N 2.95Å; F84-L88 HydrophobicContact CD1-CD1 3.75Å; F84-L88 HydrophobicContact CD1-CG 4.45Å; F84-L88 HydrophobicContact CE1-CD1 3.32Å; F84-L88 HydrophobicContact CE1-CG 4.22Å; F84-L88 HydrophobicContact CE2-CD1 4.27Å; F84-L88 HydrophobicContact CE2-CG 4.36Å; F84-L88 HydrophobicContact CG-CD1 4.4Å; F84-L88 HydrophobicContact CZ-CD1 3.62Å; F84-L88 HydrophobicContact CZ-CD2 4.44Å; F84-L88 HydrophobicContact CZ-CG 4.17Å; F84-L88 WeakPolarHBondContact O-CB 3.17Å; F84-L88 WeakPolarHBondContact O-CG 3.45Å; F84-L88 PolarHBondContact O-N 3.31Å; F84-F107 AromaticContact CE2-CD1 3.97Å; F84-F107 HydrophobicContact CE2-CD1 3.97Å; F84-F107 HydrophobicContact CE2-CE1 4.37Å; F84-F107 HydrophobicContact CZ-CD1 4.41Å; F84-F107 HydrophobicContact CZ-CE1 4.37Å; F84-M108 HydrophobicContact CE2-SD 4.01Å; F84-M108 HydrophobicContact CZ-CE 4.35Å; F84-M108 HydrophobicContact CZ-SD 3.83Å; F84-L110 HydrophobicContact CD2-CB 4.31Å; F84-I111 HydrophobicContact CB-CD1 3.4Å; F84-I111 HydrophobicContact CB-CG1 4.39Å; F84-I111 HydrophobicContact CD2-CD1 3.91Å; F84-I111 HydrophobicContact CD2-CG1 4.42Å; F84-I111 HydrophobicContact CG-CD1 4.05Å
85G82.8Confident80.8Confident37 Ų3763.4 Ų63.438%0.38132%0.316SS..Hα-helixtrans-65.6-44.4-17500000112.1L81 W82 L88 L89L81-G85 PolarHBondContact O-N 3.1Å; W82-G85 PolarHBondContact O-N 3.09Å; G85-L88 PolarHBondContact O-N 3.4Å; G85-L89 WeakPolarHBondContact O-CB 3.22Å; G85-L89 PolarHBondContact O-N 3.05Å
86T83.6Confident79.7Confident18 Ų1865.4 Ų65.411%0.1133%0.329CS..Hα-helixtrans-70.2-39.417855.20000111.8I47 W82 E83 L89 L90I47-T86 HydrophobicContact CG1-CG2 4.15Å; I47-T86 HydrophobicContact CG2-CG2 4.05Å; W82-T86 HydrophobicContact CD2-CG2 4.29Å; W82-T86 HydrophobicContact CG-CG2 4.44Å; W82-T86 HydrophobicContact CZ2-CG2 4.19Å; W82-T86 WeakPolarHBondContact O-CB 3.5Å; W82-T86 WeakPolarHBondContact O-CG2 3.12Å; W82-T86 PolarHBondContact O-N 3.31Å; W82-T86 PolarHBondContact O-OG1 3.28Å; E83-T86 PolarHBondContact O-OG1 2.82Å; T86-L89 PolarHBondContact O-N 3.1Å; T86-L90 WeakPolarHBondContact O-CB 3.29Å; T86-L90 VanDerWaalsContact O-CD1 3.22Å; T86-L90 WeakPolarHBondContact O-CD1 3.47Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.31Å
87G79.2Confident78.6Confident0 Ų066.8 Ų66.80%034%0.338CS..Hα-helixtrans-61.8-44172.900000112.8E83 F84 L89 L90 R91 L110E83-G87 WeakPolarHBondContact O-CA 3.23Å; E83-G87 PolarHBondContact O-N 3.02Å; F84-G87 PolarHBondContact O-N 2.95Å; G87-L89 VanDerWaalsContact C-N 3.35Å; G87-L89 PolarHBondContact O-N 3Å; G87-L90 PolarHBondContact O-N 3.23Å; G87-R91 WeakPolarHBondContact O-CB 3.1Å; G87-R91 PolarHBondContact O-N 3.37Å; G87-L110 WeakPolarHBondContact O-CD2 3.31Å
88L78.5Confident77.6Confident58 Ų5862.4 Ų62.430%0.30432%0.315SS..Hα-helixtrans-60.9-44.2175.1-78.7179.3000112F84 G85 R91 Q92 M108 L110F84-L88 HydrophobicContact CD1-CD1 3.75Å; F84-L88 HydrophobicContact CD1-CG 4.45Å; F84-L88 HydrophobicContact CE1-CD1 3.32Å; F84-L88 HydrophobicContact CE1-CG 4.22Å; F84-L88 HydrophobicContact CE2-CD1 4.27Å; F84-L88 HydrophobicContact CE2-CG 4.36Å; F84-L88 HydrophobicContact CG-CD1 4.4Å; F84-L88 HydrophobicContact CZ-CD1 3.62Å; F84-L88 HydrophobicContact CZ-CD2 4.44Å; F84-L88 HydrophobicContact CZ-CG 4.17Å; F84-L88 WeakPolarHBondContact O-CB 3.17Å; F84-L88 WeakPolarHBondContact O-CG 3.45Å; F84-L88 PolarHBondContact O-N 3.31Å; G85-L88 PolarHBondContact O-N 3.4Å; L88-R91 PolarHBondContact O-N 3.26Å; L88-Q92 PolarHBondContact O-N 3.36Å; L88-M108 HydrophobicContact CD2-CE 3.63Å; L88-L110 HydrophobicContact CD2-CD1 3.62Å; L88-L110 HydrophobicContact CG-CD1 4.19Å
89L79.4Confident76.5Confident99 Ų9965.2 Ų65.252%0.51834%0.335SS..Hα-helixtrans-63.4-47.8178.2-174.966.6000111.2G85 T86 G87 R91 Q92 F93G85-L89 WeakPolarHBondContact O-CB 3.22Å; G85-L89 PolarHBondContact O-N 3.05Å; T86-L89 PolarHBondContact O-N 3.1Å; G87-L89 VanDerWaalsContact C-N 3.35Å; G87-L89 PolarHBondContact O-N 3Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.48Å; L89-Q92 WeakPolarHBondContact O-CB 3.18Å; L89-Q92 PolarHBondContact O-N 3.3Å; L89-F93 HydrophobicContact CD1-CE2 4.26Å; L89-F93 HydrophobicContact CG-CE2 4.47Å; L89-F93 VanDerWaalsContact O-CD2 3.23Å; L89-F93 WeakPolarHBondContact O-CD2 3.37Å
90L77.8Confident75.4Confident14 Ų1466 Ų667%0.07334%0.336CS..Hα-helixtrans-68.4-31.2-179.9-72.1153.3000112.6W43 I47 T86 G87 Q92 F93 N94 A95 C96 P97 W98W43-L90 HydrophobicContact CB-CD1 4.49Å; W43-L90 HydrophobicContact CB-CD2 3.98Å; W43-L90 HydrophobicContact CD2-CD2 3.99Å; W43-L90 HydrophobicContact CG-CD2 3.69Å; I47-L90 HydrophobicContact CD1-CD1 3.36Å; T86-L90 WeakPolarHBondContact O-CB 3.29Å; T86-L90 VanDerWaalsContact O-CD1 3.22Å; T86-L90 WeakPolarHBondContact O-CD1 3.47Å; T86-L90 VanDerWaalsContact O-CG 3.28Å; T86-L90 WeakPolarHBondContact O-CG 3.29Å; T86-L90 PolarHBondContact O-N 3.31Å; G87-L90 PolarHBondContact O-N 3.23Å; L90-Q92 PolarHBondContact O-N 3.36Å; L90-F93 CarbonylContact O-C 3.47Å; L90-F93 PolarHBondContact O-N 3.23Å; L90-N94 PolarHBondContact O-N 2.85Å; L90-A95 HydrophobicContact CD2-CB 4.12Å; L90-A95 PolarHBondContact O-N 3.47Å; L90-C96 HydrophobicContact CB-CB 4.41Å; L90-P97 HydrophobicContact CD1-CG 4.09Å; L90-W98 HydrophobicContact CD1-CZ2 4.03Å
91R75.9Confident74.4Confident132 Ų13267.1 Ų67.150%0.49835%0.353SS..Hα-helixtrans-61.8-32.7173.6-173.1174.7-179.7167.63.6111.9G87 L88 L89 F93 N94 C96 M108G87-R91 WeakPolarHBondContact O-CB 3.1Å; G87-R91 PolarHBondContact O-N 3.37Å; L88-R91 PolarHBondContact O-N 3.26Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.48Å; R91-F93 PolarHBondContact O-N 2.94Å; R91-N94 PolarHBondContact O-N 3.41Å; R91-C96 HydrophobicContact CB-CB 4.36Å; R91-M108 PolarHBondContact NH1-O 2.84Å
92Q76.8Confident73.2Confident153 Ų15370.4 Ų70.472%0.71537%0.365SS*.Hα-helixtrans-64.2-26.4173.4-65.1177.5-2100112.7L88 L89 L90L88-Q92 PolarHBondContact O-N 3.36Å; L89-Q92 WeakPolarHBondContact O-CB 3.18Å; L89-Q92 PolarHBondContact O-N 3.3Å; L90-Q92 PolarHBondContact O-N 3.36Å
93F75.9Confident72Confident151 Ų15169.6 Ų69.666%0.66236%0.363SS*.THydrogen-bonded Turntrans-100.49.1178.4-62.3-78.3000113.4L89 L90 R91 A95L89-F93 HydrophobicContact CD1-CE2 4.26Å; L89-F93 HydrophobicContact CG-CE2 4.47Å; L89-F93 VanDerWaalsContact O-CD2 3.23Å; L89-F93 WeakPolarHBondContact O-CD2 3.37Å; L90-F93 CarbonylContact O-C 3.47Å; L90-F93 PolarHBondContact O-N 3.23Å; R91-F93 PolarHBondContact O-N 2.94Å; F93-A95 HydrophobicContact CB-CB 4.35Å; F93-A95 PolarHBondContact O-N 2.87Å; F93-A95 VanDerWaalsContact O-N 3.12Å
94N69.6Low70.6Confident159 Ų15980 Ų8085%0.8540%0.402SS*.THydrogen-bonded Turntrans5226.5-170.9-73.4-39.5000114L90 R91L90-N94 PolarHBondContact O-N 2.85Å; R91-N94 PolarHBondContact O-N 3.41Å
95A64.8Low69.6Low33 Ų3384.8 Ų84.827%0.27342%0.419SS..  trans-112.318.9-176.900000112.2L90 F93 P97L90-A95 HydrophobicContact CD2-CB 4.12Å; L90-A95 PolarHBondContact O-N 3.47Å; F93-A95 HydrophobicContact CB-CB 4.35Å; F93-A95 PolarHBondContact O-N 2.87Å; F93-A95 VanDerWaalsContact O-N 3.12Å; A95-P97 VanDerWaalsContact O-CD 3.31Å; A95-P97 WeakPolarHBondContact O-CD 3.18Å
96C62Low69Low43 Ų4385.7 Ų85.729%0.29142%0.415SS..  trans-63.3117.4-177.4-163.20000109.7L90 R91 W98L90-C96 HydrophobicContact CB-CB 4.41Å; R91-C96 HydrophobicContact CB-CB 4.36Å; C96-W98 VanDerWaalsContact C-N 3.29Å; C96-W98 VanDerWaalsContact SG-CD1 3.55Å; C96-W98 PolarHBondContact SG-O 3.34Å
97P61.2Low68.1Low42 Ų4291.2 Ų91.227%0.27344%0.438SS..SBendtrans-77.1-21.3-176.8-6.322.1000112.7S41 L90 A95S41-P97 VanDerWaalsContact OG-CB 3.32Å; S41-P97 WeakPolarHBondContact OG-CB 3.22Å; S41-P97 WeakPolarHBondContact OG-CG 3.28Å; L90-P97 HydrophobicContact CD1-CG 4.09Å; A95-P97 VanDerWaalsContact O-CD 3.31Å; A95-P97 WeakPolarHBondContact O-CD 3.18Å
98W65Low67.2Low11 Ų1196 Ų964%0.04246%0.462CS..  trans-112.7123.2-174.619.792.2000109.4A44 I47 L90 C96 Y100A44-W98 HydrophobicContact CB-CZ3 4.5Å; I47-W98 HydrophobicContact CB-CH2 4.23Å; I47-W98 HydrophobicContact CD1-CH2 3.42Å; I47-W98 VanDerWaalsContact CD1-CH2 3.42Å; I47-W98 HydrophobicContact CD1-CZ2 3.64Å; I47-W98 HydrophobicContact CG1-CH2 4.39Å; I47-W98 HydrophobicContact CG2-CH2 3.81Å; I47-W98 HydrophobicContact CG2-CZ2 4.17Å; L90-W98 HydrophobicContact CD1-CZ2 4.03Å; C96-W98 VanDerWaalsContact C-N 3.29Å; C96-W98 VanDerWaalsContact SG-CD1 3.55Å; C96-W98 PolarHBondContact SG-O 3.34Å; W98-Y100 HydrophobicContact CB-CD2 4.23Å; W98-Y100 HydrophobicContact CB-CE2 3.55Å; W98-Y100 HydrophobicContact CG-CE2 4.37Å
99D66.8Low66.4Low125 Ų12593.6 Ų93.667%0.66845%0.451SS*.  trans-125.7105.2168.1-169.3-4.9000108.6A101D99-A101 WeakPolarHBondContact OD1-CB 3.4Å; D99-A101 PolarHBondContact OD1-N 3.2Å
100Y61.8Low65.5Low30 Ų3089 Ų8912%0.11843%0.427CS..  trans-102.417.9177.4-56.3-61.1000111.9E83 W98 E102 F103 N106 G109 L110 T112 Y115E83-Y100 WeakPolarHBondContact OE1-CE2 3.33Å; E83-Y100 PolarHBondContact OE1-OH 3.38Å; W98-Y100 HydrophobicContact CB-CD2 4.23Å; W98-Y100 HydrophobicContact CB-CE2 3.55Å; W98-Y100 HydrophobicContact CG-CE2 4.37Å; Y100-E102 PolarHBondContact O-N 2.68Å; Y100-E102 VanDerWaalsContact O-N 3.09Å; Y100-F103 HydrophobicContact CD1-CD2 4.11Å; Y100-F103 AromaticContact CD1-CE2 3.99Å; Y100-F103 HydrophobicContact CD1-CE2 3.99Å; Y100-F103 PolarHBondContact O-N 3.35Å; Y100-F103 VanDerWaalsContact O-N 3.1Å; Y100-N106 WeakPolarHBondContact O-CB 3.23Å; Y100-N106 PolarHBondContact O-ND2 2.65Å; Y100-G109 PolarHBondContact N-O 3.37Å; Y100-L110 WeakPolarHBondContact CD2-O 3.49Å; Y100-T112 HydrophobicContact CD1-CG2 4.36Å; Y100-T112 HydrophobicContact CG-CG2 4.38Å; Y100-Y115 HydrophobicContact CD1-CD2 4.48Å; Y100-Y115 AromaticContact CD1-CE2 3.86Å; Y100-Y115 HydrophobicContact CD1-CE2 3.86Å; Y100-Y115 HydrophobicContact CE1-CD2 4.08Å; Y100-Y115 AromaticContact CE1-CE2 3.49Å; Y100-Y115 HydrophobicContact CE1-CE2 3.49Å; Y100-Y115 VanDerWaalsContact CE1-CE2 3.49Å
101A62Low64.9Low58 Ų5889.4 Ų89.448%0.47943%0.429SS..THydrogen-bonded Turntrans-57.5-23.7-178.400000113.8D99 F103 N106D99-A101 WeakPolarHBondContact OD1-CB 3.4Å; D99-A101 PolarHBondContact OD1-N 3.2Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 PolarHBondContact O-N 3.44Å; A101-N106 PolarHBondContact O-ND2 2.95Å; A101-N106 VanDerWaalsContact O-ND2 3.13Å
102E60.6Low64.8Low188 Ų18883.1 Ų83.188%0.87941%0.405SS*.THydrogen-bonded Turntrans-75.7-16.5179.6-60.4-169.3164.300114.1Y100Y100-E102 PolarHBondContact O-N 2.68Å; Y100-E102 VanDerWaalsContact O-N 3.09Å
103F61.5Low64.4Low48 Ų4878.9 Ų78.921%0.21140%0.396CS..SBendtrans-88.4138.8-175.9-67.8-79.7000112.7W26 Y100 A101 Y105 N106 E114W26-F103 HydrophobicContact CH2-CE1 4.5Å; W26-F103 HydrophobicContact CH2-CZ 4.2Å; W26-F103 AromaticContact CZ2-CZ 3.95Å; W26-F103 HydrophobicContact CZ2-CZ 3.95Å; Y100-F103 HydrophobicContact CD1-CD2 4.11Å; Y100-F103 AromaticContact CD1-CE2 3.99Å; Y100-F103 HydrophobicContact CD1-CE2 3.99Å; Y100-F103 PolarHBondContact O-N 3.35Å; Y100-F103 VanDerWaalsContact O-N 3.1Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-F103 PolarHBondContact O-N 3.44Å; F103-Y105 VanDerWaalsContact C-N 3.29Å; F103-Y105 PolarHBondContact O-N 3.46Å; F103-N106 HydrophobicContact CB-CB 4.43Å; F103-N106 WeakPolarHBondContact O-CB 3.38Å; F103-N106 PolarHBondContact O-N 3.33Å; F103-N106 PolarHBondContact O-ND2 3.35Å; F103-E114 WeakPolarHBondContact CD1-OE2 3.21Å
104R55Low64.2Low228 Ų22876.1 Ų76.186%0.8639%0.385SS*.THydrogen-bonded Turntrans-65.3-26.1-176-78.8-179.983.6179.26.3114.5
105Y61.6Low64.3Low154 Ų15469.9 Ų69.960%0.60435%0.35SS*.THydrogen-bonded Turntrans-109.933.1178.7-60.8-75.6000112.4F103 A113 E114F103-Y105 VanDerWaalsContact C-N 3.29Å; F103-Y105 PolarHBondContact O-N 3.46Å; Y105-A113 PolarHBondContact O-N 2.94Å; Y105-E114 HydrophobicContact CD2-CG 4.01Å
106N70.8Confident64.8Low55 Ų5570 Ų7029%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-74.6144.4173.582.667.8000111.4Y100 A101 F103 G109 I111Y100-N106 WeakPolarHBondContact O-CB 3.23Å; Y100-N106 PolarHBondContact O-ND2 2.65Å; A101-N106 PolarHBondContact O-ND2 2.95Å; A101-N106 VanDerWaalsContact O-ND2 3.13Å; F103-N106 HydrophobicContact CB-CB 4.43Å; F103-N106 WeakPolarHBondContact O-CB 3.38Å; F103-N106 PolarHBondContact O-N 3.33Å; F103-N106 PolarHBondContact O-ND2 3.35Å; N106-G109 PolarHBondContact OD1-N 3.38Å; N106-I111 CarbonylContact C-O 3.46Å; N106-I111 VanDerWaalsContact CA-O 3.23Å; N106-I111 WeakPolarHBondContact CA-O 3.48Å
107F64Low65.5Low135 Ų13573 Ų7359%0.59237%0.368SS*.EExtended strand (participates in β ladder)trans-108.2108.4170.1-157.4-97.2000108.1F84 G109 L110 I111F84-F107 AromaticContact CE2-CD1 3.97Å; F84-F107 HydrophobicContact CE2-CD1 3.97Å; F84-F107 HydrophobicContact CE2-CE1 4.37Å; F84-F107 HydrophobicContact CZ-CD1 4.41Å; F84-F107 HydrophobicContact CZ-CE1 4.37Å; F107-G109 PolarHBondContact O-N 2.88Å; F107-G109 VanDerWaalsContact O-N 3.1Å; F107-L110 PolarHBondContact O-N 3.49Å; F107-I111 PolarHBondContact N-O 2.78Å; F107-I111 PolarHBondContact O-N 3.05Å
108M59.9Low66.4Low100 Ų10074.2 Ų74.249%0.49338%0.376SS..THydrogen-bonded Turntrans56.619.7-176.6-68.9165.163.300115.2F84 L88 R91 L110F84-M108 HydrophobicContact CE2-SD 4.01Å; F84-M108 HydrophobicContact CZ-CE 4.35Å; F84-M108 HydrophobicContact CZ-SD 3.83Å; L88-M108 HydrophobicContact CD2-CE 3.63Å; R91-M108 PolarHBondContact NH1-O 2.84Å; M108-L110 HydrophobicContact CB-CD1 3.89Å; M108-L110 HydrophobicContact CE-CD1 4.4Å; M108-L110 PolarHBondContact O-N 3.42Å
109G61.5Low67Low8 Ų876 Ų768%0.08238%0.383CS..THydrogen-bonded Turntrans68.87.2-173.100000114.4Y100 N106 F107Y100-G109 PolarHBondContact N-O 3.37Å; N106-G109 PolarHBondContact OD1-N 3.38Å; F107-G109 PolarHBondContact O-N 2.88Å; F107-G109 VanDerWaalsContact O-N 3.1Å
110L62Low67.7Low3 Ų373.2 Ų73.22%0.01637%0.365CS..THydrogen-bonded Turntrans-105.4-23.1-172.1-79.3145.6000113.1F84 G87 L88 Y100 F107 M108F84-L110 HydrophobicContact CD2-CB 4.31Å; G87-L110 WeakPolarHBondContact O-CD2 3.31Å; L88-L110 HydrophobicContact CD2-CD1 3.62Å; L88-L110 HydrophobicContact CG-CD1 4.19Å; Y100-L110 WeakPolarHBondContact CD2-O 3.49Å; F107-L110 PolarHBondContact O-N 3.49Å; M108-L110 HydrophobicContact CB-CD1 3.89Å; M108-L110 HydrophobicContact CE-CD1 4.4Å; M108-L110 PolarHBondContact O-N 3.42Å
111I65.1Low68.7Low21 Ų2174.8 Ų74.811%0.10838%0.38CS..EExtended strand (participates in β ladder)trans-142.4143.6178.1-73.7178.4000108.6Y80 E83 F84 N106 F107Y80-I111 HydrophobicContact CD1-CB 4.45Å; Y80-I111 HydrophobicContact CD1-CD1 4.03Å; Y80-I111 HydrophobicContact CD1-CG1 4.3Å; Y80-I111 HydrophobicContact CD1-CG2 3.35Å; Y80-I111 HydrophobicContact CE1-CG2 3.36Å; Y80-I111 WeakPolarHBondContact O-CD1 3.45Å; E83-I111 HydrophobicContact CG-CG1 4.42Å; F84-I111 HydrophobicContact CB-CD1 3.4Å; F84-I111 HydrophobicContact CB-CG1 4.39Å; F84-I111 HydrophobicContact CD2-CD1 3.91Å; F84-I111 HydrophobicContact CD2-CG1 4.42Å; F84-I111 HydrophobicContact CG-CD1 4.05Å; N106-I111 CarbonylContact C-O 3.46Å; N106-I111 VanDerWaalsContact CA-O 3.23Å; N106-I111 WeakPolarHBondContact CA-O 3.48Å; F107-I111 PolarHBondContact N-O 2.78Å; F107-I111 PolarHBondContact O-N 3.05Å
112T72.8Confident69.6Low1 Ų173.8 Ų73.81%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-118135.8165.4-179.80000111.8Y80 Y100 E114 Y115Y80-T112 PolarHBondContact OH-O 3.43Å; Y100-T112 HydrophobicContact CD1-CG2 4.36Å; Y100-T112 HydrophobicContact CG-CG2 4.38Å; T112-E114 PolarHBondContact O-N 3.23Å; T112-E114 PolarHBondContact OG1-N 3.39Å; T112-Y115 HydrophobicContact CG2-CD2 3.09Å; T112-Y115 HydrophobicContact CG2-CE2 3.54Å; T112-Y115 HydrophobicContact CG2-CG 3.65Å; T112-Y115 PolarHBondContact O-N 3.28Å
113A68.9Low70.6Confident63 Ų6365.2 Ų65.252%0.52133%0.332SS..G310 helixtrans-66.4-20.6173.800000112.1Y105 Y115 A116Y105-A113 PolarHBondContact O-N 2.94Å; A113-Y115 PolarHBondContact O-N 3.17Å; A113-A116 WeakPolarHBondContact O-CB 3.36Å; A113-A116 PolarHBondContact O-N 3.17Å; A113-A116 VanDerWaalsContact O-N 3.1Å
114E72.1Confident71.6Confident93 Ų9367.2 Ų67.244%0.43534%0.341SS..G310 helixtrans-66.8-25.9178.8-64.3-179.5136.800112.1F103 Y105 T112 A116F103-E114 WeakPolarHBondContact CD1-OE2 3.21Å; Y105-E114 HydrophobicContact CD2-CG 4.01Å; T112-E114 PolarHBondContact O-N 3.23Å; T112-E114 PolarHBondContact OG1-N 3.39Å; E114-A116 PolarHBondContact O-N 3.44Å
115Y71.3Confident72.8Confident28 Ų2860.8 Ų60.811%0.1132%0.323CS..G310 helixtrans-81.75.6174.3-69.2-36.3000114.5Y80 Y100 T112 A113 V117 P118 W119Y80-Y115 VanDerWaalsContact OH-C 3.27Å; Y100-Y115 HydrophobicContact CD1-CD2 4.48Å; Y100-Y115 AromaticContact CD1-CE2 3.86Å; Y100-Y115 HydrophobicContact CD1-CE2 3.86Å; Y100-Y115 HydrophobicContact CE1-CD2 4.08Å; Y100-Y115 AromaticContact CE1-CE2 3.49Å; Y100-Y115 HydrophobicContact CE1-CE2 3.49Å; Y100-Y115 VanDerWaalsContact CE1-CE2 3.49Å; T112-Y115 HydrophobicContact CG2-CD2 3.09Å; T112-Y115 HydrophobicContact CG2-CE2 3.54Å; T112-Y115 HydrophobicContact CG2-CG 3.65Å; T112-Y115 PolarHBondContact O-N 3.28Å; A113-Y115 PolarHBondContact O-N 3.17Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 2.81Å; Y115-P118 HydrophobicContact CD1-CG 4.13Å; Y115-P118 WeakPolarHBondContact O-CD 3.23Å; Y115-W119 VanDerWaalsContact O-CB 3.31Å; Y115-W119 WeakPolarHBondContact O-CB 3.22Å; Y115-W119 PolarHBondContact O-N 2.96Å
116A74Confident73.7Confident37 Ų3755.1 Ų55.131%0.30630%0.304SS..Hα-helixtrans-62.4-40.3-17800000111.7Y80 A113 E114 F120Y80-A116 HydrophobicContact CE2-CB 4.17Å; Y80-A116 WeakPolarHBondContact OH-CA 3.45Å; Y80-A116 WeakPolarHBondContact OH-CB 3.49Å; Y80-A116 PolarHBondContact OH-N 3.26Å; A113-A116 WeakPolarHBondContact O-CB 3.36Å; A113-A116 PolarHBondContact O-N 3.17Å; A113-A116 VanDerWaalsContact O-N 3.1Å; E114-A116 PolarHBondContact O-N 3.44Å; A116-F120 VanDerWaalsContact O-CB 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.15Å; A116-F120 PolarHBondContact O-N 2.95Å
117V77.4Confident74Confident105 Ų10552.6 Ų52.664%0.63629%0.29SS*.Hα-helixtrans-70-49.9178.9177.50000111.1Y115 W119 F120 C121Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 2.81Å; V117-W119 PolarHBondContact O-N 2.99Å; V117-F120 PolarHBondContact O-N 2.93Å; V117-C121 PolarHBondContact O-N 3.22Å; V117-C121 PolarHBondContact O-SG 2.94Å; V117-C121 VanDerWaalsContact O-SG 3.4Å
118P79.4Confident74.7Confident67 Ų6752.4 Ų52.444%0.43529%0.286SS..Hα-helixtrans-53.1-46.4170.2-31.436.8000114.2Y115 F120 C121 A122Y115-P118 HydrophobicContact CD1-CG 4.13Å; Y115-P118 WeakPolarHBondContact O-CD 3.23Å; P118-F120 PolarHBondContact O-N 3.4Å; P118-C121 PolarHBondContact O-N 3.2Å; P118-A122 WeakPolarHBondContact O-CB 3.32Å; P118-A122 PolarHBondContact O-N 3.02Å
119W78.3Confident75.3Confident50 Ų5053.1 Ų53.119%0.18929%0.286CS..Hα-helixtrans-66-36.1178.9-81.2125000113Y48 T76 T79 Y80 E83 Y115 V117 A122 S123Y48-W119 HydrophobicContact CE1-CH2 4.16Å; T76-W119 HydrophobicContact CG2-CB 4.05Å; T79-W119 HydrophobicContact CG2-CD2 3.89Å; T79-W119 HydrophobicContact CG2-CE3 3.55Å; T79-W119 HydrophobicContact CG2-CH2 3.82Å; T79-W119 HydrophobicContact CG2-CZ2 4.12Å; T79-W119 HydrophobicContact CG2-CZ3 3.52Å; Y80-W119 AromaticContact CZ-CD1 3.97Å; E83-W119 VanDerWaalsContact OE2-CZ2 3.29Å; E83-W119 WeakPolarHBondContact OE2-CZ2 3.44Å; E83-W119 PolarHBondContact OE2-NE1 2.93Å; Y115-W119 VanDerWaalsContact O-CB 3.31Å; Y115-W119 WeakPolarHBondContact O-CB 3.22Å; Y115-W119 PolarHBondContact O-N 2.96Å; V117-W119 PolarHBondContact O-N 2.99Å; W119-A122 HydrophobicContact CE3-CB 4.4Å; W119-A122 PolarHBondContact O-N 2.94Å; W119-S123 VanDerWaalsContact O-CB 3.3Å; W119-S123 WeakPolarHBondContact O-CB 3.16Å; W119-S123 PolarHBondContact O-N 3.23Å; W119-S123 PolarHBondContact O-OG 3.33Å
120F81.5Confident75.7Confident65 Ų6554.5 Ų54.529%0.28529%0.293SS..Hα-helixtrans-64.4-46.8172.9-177.8-92.5000111.6L69 C72 I73 T76 A116 V117 P118 A122 S123 F124L69-F120 HydrophobicContact CD2-CZ 4.15Å; C72-F120 HydrophobicContact CB-CD2 4.05Å; C72-F120 HydrophobicContact CB-CE2 3.47Å; C72-F120 VanDerWaalsContact CB-CE2 3.47Å; C72-F120 HydrophobicContact CB-CZ 3.87Å; I73-F120 HydrophobicContact CG1-CE2 4.01Å; T76-F120 WeakPolarHBondContact OG1-CA 3.42Å; A116-F120 VanDerWaalsContact O-CB 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.15Å; A116-F120 PolarHBondContact O-N 2.95Å; V117-F120 PolarHBondContact O-N 2.93Å; P118-F120 PolarHBondContact O-N 3.4Å; F120-A122 PolarHBondContact O-N 3.09Å; F120-S123 WeakPolarHBondContact O-CB 3.31Å; F120-S123 PolarHBondContact O-N 3.09Å; F120-F124 PolarHBondContact O-N 2.93Å
121C82.4Confident76.1Confident64 Ų6454.4 Ų54.443%0.43229%0.292SS..Hα-helixtrans-60.2-45174.9-71.70000111.7V117 P118 S123 F124 I125V117-C121 PolarHBondContact O-N 3.22Å; V117-C121 PolarHBondContact O-SG 2.94Å; V117-C121 VanDerWaalsContact O-SG 3.4Å; P118-C121 PolarHBondContact O-N 3.2Å; C121-S123 PolarHBondContact O-N 3.31Å; C121-F124 WeakPolarHBondContact O-CB 3.25Å; C121-F124 PolarHBondContact O-N 3.25Å; C121-I125 WeakPolarHBondContact O-CG1 3.48Å; C121-I125 PolarHBondContact O-N 3.12Å
122A80.4Confident76.4Confident37 Ų3756.4 Ų56.431%0.30630%0.299SS..Hα-helixtrans-60.4-45.1175.600000111.4P118 W119 F120 F124 I125 V126P118-A122 WeakPolarHBondContact O-CB 3.32Å; P118-A122 PolarHBondContact O-N 3.02Å; W119-A122 HydrophobicContact CE3-CB 4.4Å; W119-A122 PolarHBondContact O-N 2.94Å; F120-A122 PolarHBondContact O-N 3.09Å; A122-F124 VanDerWaalsContact C-N 3.3Å; A122-F124 PolarHBondContact O-N 2.97Å; A122-I125 PolarHBondContact O-N 2.85Å; A122-V126 WeakPolarHBondContact O-CB 3.31Å; A122-V126 VanDerWaalsContact O-CG2 3.32Å; A122-V126 WeakPolarHBondContact O-CG2 3.18Å; A122-V126 PolarHBondContact O-N 3.35Å
123S81.6Confident76.3Confident8 Ų862.1 Ų62.16%0.05632%0.324CS..Hα-helixtrans-58.8-41.7176.3-61.90000111.8T76 W119 F120 C121 E127T76-S123 PolarHBondContact OG1-OG 3.16Å; W119-S123 VanDerWaalsContact O-CB 3.3Å; W119-S123 WeakPolarHBondContact O-CB 3.16Å; W119-S123 PolarHBondContact O-N 3.23Å; W119-S123 PolarHBondContact O-OG 3.33Å; F120-S123 WeakPolarHBondContact O-CB 3.31Å; F120-S123 PolarHBondContact O-N 3.09Å; C121-S123 PolarHBondContact O-N 3.31Å; S123-E127 WeakPolarHBondContact O-CB 3.48Å; S123-E127 PolarHBondContact O-N 3.01Å
124F82.6Confident76.3Confident89 Ų8960.7 Ų60.739%0.3931%0.308SS..Hα-helixtrans-64.8-43.9176-177.7-97.1000112.2V68 F120 C121 A122 E127 R128V68-F124 HydrophobicContact CG1-CD2 4.24Å; V68-F124 HydrophobicContact CG1-CE2 4.03Å; F120-F124 PolarHBondContact O-N 2.93Å; C121-F124 WeakPolarHBondContact O-CB 3.25Å; C121-F124 PolarHBondContact O-N 3.25Å; A122-F124 VanDerWaalsContact C-N 3.3Å; A122-F124 PolarHBondContact O-N 2.97Å; F124-E127 PolarHBondContact O-N 3.37Å; F124-R128 VanDerWaalsContact O-CB 3.29Å; F124-R128 WeakPolarHBondContact O-CB 3.22Å; F124-R128 PolarHBondContact O-N 3.44Å
125I82.1Confident76Confident93 Ų9356.7 Ų56.748%0.47729%0.29SS..Hα-helixtrans-63.6-48.5176.8-67.9166.4000110.4C121 A122 E127 R128 F129C121-I125 WeakPolarHBondContact O-CG1 3.48Å; C121-I125 PolarHBondContact O-N 3.12Å; A122-I125 PolarHBondContact O-N 2.85Å; I125-E127 VanDerWaalsContact C-N 3.31Å; I125-E127 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 3Å; I125-F129 HydrophobicContact CG2-CB 4.46Å; I125-F129 HydrophobicContact CG2-CD2 4.18Å; I125-F129 WeakPolarHBondContact O-CA 3.46Å; I125-F129 WeakPolarHBondContact O-CB 3.34Å; I125-F129 PolarHBondContact O-N 3.24Å
126V78.6Confident75.8Confident36 Ų3664.9 Ų64.922%0.21832%0.32CS..Iπ-helixtrans-56.9-45.9177.6167.80000110.4A122 V130 I131A122-V126 WeakPolarHBondContact O-CB 3.31Å; A122-V126 VanDerWaalsContact O-CG2 3.32Å; A122-V126 WeakPolarHBondContact O-CG2 3.18Å; A122-V126 PolarHBondContact O-N 3.35Å; V126-V130 HydrophobicContact CG1-CB 4.39Å; V126-V130 CarbonylContact O-C 3.57Å; V126-V130 WeakPolarHBondContact O-CA 3.27Å; V126-V130 VanDerWaalsContact O-CB 3.3Å; V126-V130 WeakPolarHBondContact O-CB 3.42Å; V126-V130 PolarHBondContact O-N 3.46Å; V126-I131 HydrophobicContact CG1-CD1 4.02Å; V126-I131 HydrophobicContact CG1-CG1 4.18Å; V126-I131 PolarHBondContact O-N 2.93Å
127E77.9Confident75.2Confident1 Ų168.4 Ų68.41%0.00533%0.334CS..Iπ-helixtrans-61.1-51176.2176.1175.8155.500112.5Y59 R71 Y75 S123 F124 I125 R132Y59-E127 HydrophobicContact CD2-CG 4Å; Y59-E127 HydrophobicContact CE2-CG 3.8Å; R71-E127 IonicContact CZ-OE1 2.75Å; R71-E127 VanDerWaalsContact CZ-OE1 3.29Å; R71-E127 IonicContact CZ-OE2 2.65Å; R71-E127 IonicContact NE-OE2 3.92Å; R71-E127 IonicContact NH1-OE1 3.74Å; R71-E127 PolarHBondContact NH1-OE1 3.11Å; R71-E127 IonicContact NH2-OE1 3.29Å; R71-E127 PolarHBondContact NH2-OE1 2.87Å; R71-E127 IonicContact NH2-OE2 3.85Å; R71-E127 PolarHBondContact NH2-OE2 3.13Å; Y75-E127 HydrophobicContact CE2-CB 4.28Å; Y75-E127 VanDerWaalsContact CE2-OE2 3.26Å; Y75-E127 WeakPolarHBondContact CE2-OE2 3.46Å; S123-E127 WeakPolarHBondContact O-CB 3.48Å; S123-E127 PolarHBondContact O-N 3.01Å; F124-E127 PolarHBondContact O-N 3.37Å; I125-E127 VanDerWaalsContact C-N 3.31Å; I125-E127 PolarHBondContact O-N 3.48Å; E127-R132 PolarHBondContact O-N 2.9Å; E127-R132 IonicContact OE1-NH1 3.44Å
128R78.1Confident74.5Confident132 Ų13267.9 Ų67.950%0.49832%0.32SS..Iπ-helixtrans-78.1-36.1-168.4-168.763.9167.3174.3-1.9112.6F124 I125 R132F124-R128 VanDerWaalsContact O-CB 3.29Å; F124-R128 WeakPolarHBondContact O-CB 3.22Å; F124-R128 PolarHBondContact O-N 3.44Å; I125-R128 PolarHBondContact O-N 3Å; R128-R132 WeakPolarHBondContact O-CB 3.46Å
129F73.3Confident73.3Confident115 Ų11571.5 Ų71.550%0.50433%0.329SS..Iπ-helixtrans-101.5-53.7-176.4-75.9-90000111.9I125 K133I125-F129 HydrophobicContact CG2-CB 4.46Å; I125-F129 HydrophobicContact CG2-CD2 4.18Å; I125-F129 WeakPolarHBondContact O-CA 3.46Å; I125-F129 WeakPolarHBondContact O-CB 3.34Å; I125-F129 PolarHBondContact O-N 3.24Å; F129-K133 WeakPolarHBondContact O-CB 3.29Å; F129-K133 WeakPolarHBondContact O-CG 3.47Å; F129-K133 PolarHBondContact O-N 3.35Å
130V70.2Confident72.1Confident37 Ų3776.5 Ų76.522%0.22435%0.354CS..Iπ-helixtrans-75.2-60.3-172.7-177.40000110.1Y11 V126 K133 T134Y11-V130 HydrophobicContact CD1-CG1 3.83Å; Y11-V130 HydrophobicContact CE1-CG1 3.65Å; V126-V130 HydrophobicContact CG1-CB 4.39Å; V126-V130 CarbonylContact O-C 3.57Å; V126-V130 WeakPolarHBondContact O-CA 3.27Å; V126-V130 VanDerWaalsContact O-CB 3.3Å; V126-V130 WeakPolarHBondContact O-CB 3.42Å; V126-V130 PolarHBondContact O-N 3.46Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-T134 VanDerWaalsContact O-CB 3.23Å; V130-T134 WeakPolarHBondContact O-CB 3.44Å; V130-T134 PolarHBondContact O-N 2.95Å; V130-T134 PolarHBondContact O-OG1 3.42Å
131I71.3Confident70.6Confident0 Ų079.2 Ų79.20%037%0.368CS..Iπ-helixtrans-68.5-46-172.5-61.7173.3000111.3V55 E56 Y59 V126 L135V55-I131 HydrophobicContact CG1-CD1 3.89Å; E56-I131 HydrophobicContact CG-CG2 4.42Å; Y59-I131 HydrophobicContact CD1-CG2 3.5Å; Y59-I131 VanDerWaalsContact CD1-CG2 3.5Å; Y59-I131 HydrophobicContact CD2-CB 4.33Å; Y59-I131 HydrophobicContact CD2-CD1 4.35Å; Y59-I131 HydrophobicContact CD2-CG2 3.63Å; Y59-I131 HydrophobicContact CE1-CG2 3.84Å; Y59-I131 HydrophobicContact CE2-CG2 3.97Å; Y59-I131 HydrophobicContact CG-CD1 4.46Å; Y59-I131 HydrophobicContact CG-CG2 3.45Å; Y59-I131 VanDerWaalsContact CG-CG2 3.45Å; V126-I131 HydrophobicContact CG1-CD1 4.02Å; V126-I131 HydrophobicContact CG1-CG1 4.18Å; V126-I131 PolarHBondContact O-N 2.93Å; I131-L135 HydrophobicContact CG2-CD1 3.61Å; I131-L135 HydrophobicContact CG2-CG 4.27Å; I131-L135 VanDerWaalsContact O-CB 3.22Å; I131-L135 WeakPolarHBondContact O-CB 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.37Å; I131-L135 PolarHBondContact O-N 2.83Å
132R71.1Confident68.8Low63 Ų6377.7 Ų77.724%0.23836%0.363CS..Hα-helixtrans-65.1-39.9178.2-87-168.6177.1110.2-6.4113.4Y59 E127 R128 R136Y59-R132 WeakPolarHBondContact OH-CG 3.36Å; E127-R132 PolarHBondContact O-N 2.9Å; E127-R132 IonicContact OE1-NH1 3.44Å; R128-R132 WeakPolarHBondContact O-CB 3.46Å; R132-R136 WeakPolarHBondContact O-CB 3.45Å; R132-R136 WeakPolarHBondContact O-CG 3.24Å; R132-R136 PolarHBondContact O-N 3.38Å
133K69.6Low67.2Low122 Ų12281.6 Ų81.653%0.5339%0.385SS..Hα-helixtrans-73.8-42.9178.4-66.6-174.4175.9-172.40111.5F129 V130 L135 R136 L137F129-K133 WeakPolarHBondContact O-CB 3.29Å; F129-K133 WeakPolarHBondContact O-CG 3.47Å; F129-K133 PolarHBondContact O-N 3.35Å; V130-K133 PolarHBondContact O-N 3.31Å; K133-L135 VanDerWaalsContact C-N 3.3Å; K133-L135 PolarHBondContact O-N 3.2Å; K133-R136 PolarHBondContact O-N 3.44Å; K133-R136 VanDerWaalsContact O-N 3.1Å; K133-L137 WeakPolarHBondContact O-CG 3.31Å; K133-L137 PolarHBondContact O-N 3.24Å
134T68.9Low65.8Low32 Ų3289.6 Ų89.620%0.19642%0.422CS..Hα-helixtrans-60.7-39.8175.3-58.80000111.7Y11 V130 L137 R138Y11-T134 HydrophobicContact CE1-CG2 4.3Å; V130-T134 VanDerWaalsContact O-CB 3.23Å; V130-T134 WeakPolarHBondContact O-CB 3.44Å; V130-T134 PolarHBondContact O-N 2.95Å; V130-T134 PolarHBondContact O-OG1 3.42Å; T134-L137 PolarHBondContact O-N 3.31Å; T134-R138 PolarHBondContact O-N 3.03Å; T134-R138 VanDerWaalsContact O-N 3.16Å
135L66.3Low64.4Low9 Ų992.4 Ų92.45%0.04744%0.441CS..Hα-helixtrans-71.4-32.3174.1-70.7172.9000113.1Y59 L60 I131 K133 R138 F139Y59-L135 HydrophobicContact CD1-CD1 3.62Å; Y59-L135 HydrophobicContact CE1-CD1 3.3Å; L60-L135 HydrophobicContact CD2-CD1 3.9Å; L60-L135 HydrophobicContact CD2-CD2 4.02Å; I131-L135 HydrophobicContact CG2-CD1 3.61Å; I131-L135 HydrophobicContact CG2-CG 4.27Å; I131-L135 VanDerWaalsContact O-CB 3.22Å; I131-L135 WeakPolarHBondContact O-CB 3.27Å; I131-L135 WeakPolarHBondContact O-CG 3.37Å; I131-L135 PolarHBondContact O-N 2.83Å; K133-L135 VanDerWaalsContact C-N 3.3Å; K133-L135 PolarHBondContact O-N 3.2Å; L135-R138 WeakPolarHBondContact O-CB 3.03Å; L135-R138 PolarHBondContact O-N 3.07Å; L135-F139 WeakPolarHBondContact O-CD2 3.32Å; L135-F139 PolarHBondContact O-N 3.01Å
136R66.6Low62.9Low200 Ų20091.2 Ų91.276%0.75545%0.452SS*.Hα-helixtrans-66.4-41.6172.1-85.6-173.4177.8-165.9-0.5112.1R132 K133 R138 F139 H140R132-R136 WeakPolarHBondContact O-CB 3.45Å; R132-R136 WeakPolarHBondContact O-CG 3.24Å; R132-R136 PolarHBondContact O-N 3.38Å; K133-R136 PolarHBondContact O-N 3.44Å; K133-R136 VanDerWaalsContact O-N 3.1Å; R136-R138 VanDerWaalsContact C-N 3.25Å; R136-R138 PolarHBondContact O-N 2.77Å; R136-F139 PolarHBondContact O-N 3.25Å; R136-H140 PolarHBondContact O-N 2.86Å; R136-H140 VanDerWaalsContact O-N 3.15Å
137L62.3Low60.9Low111 Ų111100.1 Ų100.158%0.58148%0.482SS*.Hα-helixtrans-59-38.7174.7-74.4161.9000111.3K133 T134 F139 H140 E141K133-L137 WeakPolarHBondContact O-CG 3.31Å; K133-L137 PolarHBondContact O-N 3.24Å; T134-L137 PolarHBondContact O-N 3.31Å; L137-F139 PolarHBondContact O-N 2.99Å; L137-H140 PolarHBondContact O-N 2.92Å; L137-E141 PolarHBondContact O-N 3.1Å
138R62.4Low59.1Low94 Ų94103.8 Ų103.836%0.35551%0.508SS..Hα-helixtrans-56.7-33.5172.5-167.8-151.5-71.9-114.30.4113.5E56 T134 L135 R136E56-R138 IonicContact OE1-NH2 3.29Å; E56-R138 PolarHBondContact OE1-NH2 3.43Å; E56-R138 VanDerWaalsContact OE1-NH2 3.15Å; T134-R138 PolarHBondContact O-N 3.03Å; T134-R138 VanDerWaalsContact O-N 3.16Å; L135-R138 WeakPolarHBondContact O-CB 3.03Å; L135-R138 PolarHBondContact O-N 3.07Å; R136-R138 VanDerWaalsContact C-N 3.25Å; R136-R138 PolarHBondContact O-N 2.77Å
139F54Low57.5Low144 Ų144105.2 Ų105.263%0.63253%0.525SS*.Hα-helixtrans-89.3-19.2-178.3-71.4-68.7000113.6L135 R136 L137L135-F139 WeakPolarHBondContact O-CD2 3.32Å; L135-F139 PolarHBondContact O-N 3.01Å; R136-F139 PolarHBondContact O-N 3.25Å; L137-F139 PolarHBondContact O-N 2.99Å
140H52.9Low56.2Low154 Ų154108 Ų10871%0.71354%0.54SS*.Hα-helixtrans-84.3-19.5174.5-139.743.5000112.5R136 L137 G142R136-H140 PolarHBondContact O-N 2.86Å; R136-H140 VanDerWaalsContact O-N 3.15Å; L137-H140 PolarHBondContact O-N 2.92Å; H140-G142 VanDerWaalsContact C-N 3.28Å
141E50.8Low54.8Low122 Ų122117.3 Ų117.357%0.5757%0.571SS**THydrogen-bonded Turntrans-9227.1165.7-64.1-174.8160.500112.8L137L137-E141 PolarHBondContact O-N 3.1Å
142G43.1Very low53.6Low32 Ų32120.1 Ų120.133%0.3360%0.6SS.*SBendtrans-85.8144.2159.900000108.4H140 E144H140-G142 VanDerWaalsContact C-N 3.28Å; G142-E144 PolarHBondContact O-N 3.11Å
143P46.8Very low52.1Low119 Ų119125.7 Ų125.777%0.77363%0.633SS**  trans-57105.7-149.125.5-34.2000112.7D145P143-D145 VanDerWaalsContact C-N 3.32Å; P143-D145 WeakPolarHBondContact CA-OD1 3.48Å
144E53.9Low50.6Low176 Ų176124.8 Ų124.882%0.82264%0.641SS**  trans-102.551.9158.9-71.8-147.8155.500109.4G142G142-E144 PolarHBondContact O-N 3.11Å
145D53.1Low49Very low148 Ų148131.1 Ų131.179%0.79167%0.668SS**  trans-136.761.4172.537.8-37.9000108.1P143P143-D145 VanDerWaalsContact C-N 3.32Å; P143-D145 WeakPolarHBondContact CA-OD1 3.48Å
146G48.9Very low47.6Very low69 Ų69137.2 Ų137.271%0.71171%0.706SS**  trans-162.437.5-176.700000114.2
147W37.4Very low46.3Very low223 Ų223132.7 Ų132.785%0.84571%0.705SS**SBendtrans-135.596.4164.6-163.6-103.6000113.2
148S41.1Very low45.3Very low78 Ų78135 Ų13555%0.54572%0.717SS.*  trans64.390.3142.674.40000119.3
149N42.6Very low44.4Very low162 Ų162135.2 Ų135.287%0.86673%0.729SS**SBendtrans-11264.9141.1-154.412.6000109.2
150H46.3Very low43.6Very low174 Ų174138.6 Ų138.681%0.80674%0.737SS**  trans-162.588.6166.9-94.6-68.2000108.8
151R41.4Very low42.9Very low232 Ų232139 Ų13988%0.87574%0.739SS**  trans-163.350.7148.6-109.8-173.1-77.1-159.41.9110.7
152G46.7Very low42.1Very low59 Ų59143.4 Ų143.461%0.60875%0.751SS**  trans-101.3133.7145.500000107
153L39Very low41.6Very low179 Ų179148.2 Ų148.294%0.93776%0.764SS**SBendtrans88.990.7172.5-57.6147.8000116.9
154C37.6Very low41.1Very low103 Ų103151.2 Ų151.270%0.69677%0.766SS**  120.8126112.8-139.50000117
155Q35.9Very low40.4Very low166 Ų166151.4 Ų151.478%0.77679%0.786SS**  trans73.191.2151.2-80.2160.7-9.600119.6
156T37.7Very low39.8Very low137 Ų137151.6 Ų151.684%0.8479%0.786SS**  -98.798.212740.80000108.7L158T156-L158 PolarHBondContact O-N 3.14Å
157S39Very low39.3Very low104 Ų104155.9 Ų155.973%0.72779%0.79SS**  trans-64.7104.9158.647.10000108.5T159S157-T159 PolarHBondContact O-N 2.97Å
158L41.6Very low39.4Very low161 Ų161152.2 Ų152.284%0.84379%0.787SS**  trans-78.8105.2161-115.897.9000108.4T156T156-L158 PolarHBondContact O-N 3.14Å
159T41.5Very low39.3Very low97 Ų97156.6 Ų156.660%0.59580%0.801SS**  trans-17.8130.3152.661.40000116S157S157-T159 PolarHBondContact O-N 2.97Å
160R38.2Very low39.1Very low215 Ų215156.3 Ų156.381%0.81180%0.797SS**  157.4128.8107.7-87.2175-149.8-150.42.9114
161H38.3Very low38.6Very low162 Ų162155.1 Ų155.175%0.7580%0.797SS**  trans74.195.8142.3-74-58.4000122.3
162W32.9Very low38.4Very low216 Ų216149.6 Ų149.682%0.81879%0.791SS**  22.2113.2115.1-61.592.6000120.1
163H34.5Very low37.8Very low132 Ų132156.5 Ų156.561%0.61181%0.805SS**  79.5137.3122.2-92.9-94.4000124.9
164F35.6Very low37.7Very low183 Ų183154.7 Ų154.780%0.80379%0.794SS**  trans64.8136.9159.4-75.9-81.1000117
165S39.3Very low37.7Very low180 Ų180159.4 Ų159.4100%1.25980%0.803SS**  cis-152.1020.4-126.60000109.8

Retrieved 165 of 165 residues in 395.7 ms (Link to these results)

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