A0A087WVT6_HUMAN Loading...

Single-stranded DNA-binding protein 3

AlphaFold DB , UniProt , Accession A0A087WVT6, Species HUMAN (Homo sapiens, Human), Gene SSBP3, Length 361 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
1A74.6Confident86.8Confident153 Ų153104.1 Ų104.1100%1.26461%0.606SS**  0143000000108.2
2V80.2Confident87.3Confident136 Ų136103.4 Ų103.482%0.82460%0.597SS**PPolyproline II helixtrans-78.6131.8172.2-1780000107.6
3P80.1Confident87.8Confident87 Ų8796.6 Ų96.657%0.56556%0.561SS**PPolyproline II helixtrans-65.5140.7175.528.1-34.1000110.1
4S90.2Very high88.2Confident61 Ų6191.6 Ų91.643%0.42753%0.53SS..PPolyproline II helixtrans-78.2156.2173.368.90000111.4G6 Q7 A8S4-G6 PolarHBondContact O-N 2.96Å; S4-G6 VanDerWaalsContact O-N 3.12Å; S4-Q7 VanDerWaalsContact N-OE1 3.11Å; S4-Q7 WeakPolarHBondContact O-CA 3.43Å; S4-Q7 WeakPolarHBondContact O-CB 3.35Å; S4-Q7 PolarHBondContact O-N 3.39Å; S4-Q7 WeakPolarHBondContact OG-CG 3.42Å; S4-Q7 PolarHBondContact OG-N 3.1Å; S4-A8 PolarHBondContact O-N 3.35Å
5D90.3Very high88.5Confident126 Ų12689.2 Ų89.267%0.67451%0.51SS*.Hα-helixtrans-54.6-32.9175.8-71.2-2.8000112.8A8 R9D5-A8 PolarHBondContact O-N 3.32Å; D5-R9 WeakPolarHBondContact O-CB 3.44Å; D5-R9 WeakPolarHBondContact O-CD 3.43Å; D5-R9 WeakPolarHBondContact O-CG 3.37Å; D5-R9 PolarHBondContact O-N 2.88Å
6G89.1Confident88.8Confident38 Ų3886.1 Ų86.139%0.39249%0.493SS..Hα-helixtrans-62-48.6172.600000112.2S4 A8 R9 E10S4-G6 PolarHBondContact O-N 2.96Å; S4-G6 VanDerWaalsContact O-N 3.12Å; G6-A8 VanDerWaalsContact C-N 3.33Å; G6-A8 PolarHBondContact O-N 2.8Å; G6-R9 PolarHBondContact O-N 3.49Å; G6-E10 WeakPolarHBondContact O-CG 3.45Å; G6-E10 PolarHBondContact O-N 2.81Å
7Q88.1Confident89.1Confident107 Ų10782.4 Ų82.450%0.547%0.469SS..Hα-helixtrans-63.8-38.4176.7-68.3170.7-2100112.1S4 K11S4-Q7 VanDerWaalsContact N-OE1 3.11Å; S4-Q7 WeakPolarHBondContact O-CA 3.43Å; S4-Q7 WeakPolarHBondContact O-CB 3.35Å; S4-Q7 PolarHBondContact O-N 3.39Å; S4-Q7 WeakPolarHBondContact OG-CG 3.42Å; S4-Q7 PolarHBondContact OG-N 3.1Å; Q7-K11 WeakPolarHBondContact O-CG 3.4Å; Q7-K11 PolarHBondContact O-N 3.29Å
8A90.2Very high89.3Confident50 Ų5078.4 Ų78.441%0.41345%0.446SS..Hα-helixtrans-64.8-45.2176.100000111.7S4 D5 G6 K11 L12S4-A8 PolarHBondContact O-N 3.35Å; D5-A8 PolarHBondContact O-N 3.32Å; G6-A8 VanDerWaalsContact C-N 3.33Å; G6-A8 PolarHBondContact O-N 2.8Å; A8-K11 PolarHBondContact O-N 2.88Å; A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 3.14Å
9R89.9Confident89.5Confident185 Ų18579 Ų7970%0.69844%0.441SS*.Hα-helixtrans-61.8-43.1175.9-74.2166.7-175.8-97.41.1112.3D5 G6 L12 A13D5-R9 WeakPolarHBondContact O-CB 3.44Å; D5-R9 WeakPolarHBondContact O-CD 3.43Å; D5-R9 WeakPolarHBondContact O-CG 3.37Å; D5-R9 PolarHBondContact O-N 2.88Å; G6-R9 PolarHBondContact O-N 3.49Å; R9-L12 PolarHBondContact O-N 3.01Å; R9-A13 WeakPolarHBondContact O-CB 3.42Å; R9-A13 PolarHBondContact O-N 3.03Å
10E90.9Very high89.7Confident83 Ų8376.7 Ų76.739%0.38843%0.427SS..Hα-helixtrans-62.1-45.3175.8-73.4-178.7-178.100112.3G6 A13 L14 W38 K40G6-E10 WeakPolarHBondContact O-CG 3.45Å; G6-E10 PolarHBondContact O-N 2.81Å; E10-A13 PolarHBondContact O-N 3.44Å; E10-L14 PolarHBondContact O-N 3.05Å; E10-L14 VanDerWaalsContact O-N 3.14Å; E10-W38 HydrophobicContact CB-CH2 4.19Å; E10-W38 HydrophobicContact CB-CZ3 4.37Å; E10-W38 HydrophobicContact CG-CZ3 4.5Å; E10-W38 VanDerWaalsContact O-CH2 3.3Å; E10-W38 WeakPolarHBondContact O-CH2 3.33Å; E10-K40 IonicContact OE1-NZ 2.67Å; E10-K40 PolarHBondContact OE1-NZ 3.36Å; E10-K40 IonicContact OE2-NZ 2.69Å; E10-K40 PolarHBondContact OE2-NZ 3.16Å
11K90.9Very high89.8Confident119 Ų11974 Ų7452%0.51741%0.412SS..Hα-helixtrans-64.2-42.9176.4-75.8-67.6-174.8-179.60111.9Q7 A8 A13 L14 Y15Q7-K11 WeakPolarHBondContact O-CG 3.4Å; Q7-K11 PolarHBondContact O-N 3.29Å; A8-K11 PolarHBondContact O-N 2.88Å; K11-A13 PolarHBondContact O-N 3.08Å; K11-L14 PolarHBondContact O-N 3.41Å; K11-Y15 HydrophobicContact CB-CE2 4.07Å; K11-Y15 WeakPolarHBondContact O-CD2 3.3Å; K11-Y15 VanDerWaalsContact O-CG 3.32Å; K11-Y15 PolarHBondContact O-N 3.26Å
12L92.8Very high90.5Very high96 Ų9669.7 Ų69.750%0.50337%0.366SS..Hα-helixtrans-60.1-45.1176.1-179.261.3000111.6A8 R9 L14 Y15 V16 L51A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 3.14Å; R9-L12 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.3Å; L12-Y15 PolarHBondContact O-N 3.18Å; L12-V16 HydrophobicContact CD1-CG2 4.2Å; L12-V16 HydrophobicContact CG-CG2 4.37Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å; L12-V16 PolarHBondContact O-N 2.99Å; L12-L51 HydrophobicContact CD1-CD1 4.37Å
13A93.7Very high91.1Very high15 Ų1567 Ų6712%0.12435%0.349CS..Hα-helixtrans-59-4417700000112.1R9 E10 K11 Y15 V16 Y17 F32 I36 W38R9-A13 WeakPolarHBondContact O-CB 3.42Å; R9-A13 PolarHBondContact O-N 3.03Å; E10-A13 PolarHBondContact O-N 3.44Å; K11-A13 PolarHBondContact O-N 3.08Å; A13-Y15 PolarHBondContact O-N 3.17Å; A13-V16 PolarHBondContact O-N 3.4Å; A13-Y17 PolarHBondContact O-N 3.14Å; A13-F32 HydrophobicContact CB-CE1 4.27Å; A13-F32 HydrophobicContact CB-CZ 4.08Å; A13-F32 WeakPolarHBondContact O-CE1 3.35Å; A13-I36 HydrophobicContact CB-CD1 3.94Å; A13-W38 HydrophobicContact CB-CE3 4.3Å; A13-W38 HydrophobicContact CB-CZ3 3.86Å
14L93.1Very high91.6Very high26 Ų2665.4 Ų65.414%0.13635%0.348CS..Hα-helixtrans-60.6-43.6175.4-175.6149.5000112E10 K11 L12 Y17 E18 W38E10-L14 PolarHBondContact O-N 3.05Å; E10-L14 VanDerWaalsContact O-N 3.14Å; K11-L14 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.3Å; L14-Y17 PolarHBondContact O-N 3.32Å; L14-E18 PolarHBondContact O-N 3.41Å; L14-W38 HydrophobicContact CB-CH2 4.43Å; L14-W38 HydrophobicContact CB-CZ2 4.37Å; L14-W38 HydrophobicContact CD1-CZ2 4.45Å
15Y92.8Very high91.8Very high56 Ų5663.8 Ų63.822%0.2234%0.339CS..Hα-helixtrans-71.4-30.6178.6-60-46.6000113.5K11 L12 A13 Y19 F50K11-Y15 HydrophobicContact CB-CE2 4.07Å; K11-Y15 WeakPolarHBondContact O-CD2 3.3Å; K11-Y15 VanDerWaalsContact O-CG 3.32Å; K11-Y15 PolarHBondContact O-N 3.26Å; L12-Y15 PolarHBondContact O-N 3.18Å; A13-Y15 PolarHBondContact O-N 3.17Å; Y15-Y19 WeakPolarHBondContact O-CB 3.41Å; Y15-Y19 PolarHBondContact O-N 3.22Å; Y15-F50 HydrophobicContact CD1-CB 3.67Å; Y15-F50 AromaticContact CD1-CD1 3.77Å; Y15-F50 HydrophobicContact CD1-CD1 3.77Å; Y15-F50 AromaticContact CD1-CG 3.97Å; Y15-F50 HydrophobicContact CD1-CG 3.97Å; Y15-F50 AromaticContact CD2-CD1 3.61Å; Y15-F50 HydrophobicContact CD2-CD1 3.61Å; Y15-F50 AromaticContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CE1-CB 3.7Å; Y15-F50 AromaticContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD2 4.45Å; Y15-F50 HydrophobicContact CE1-CE1 4.44Å; Y15-F50 AromaticContact CE1-CG 3.69Å; Y15-F50 HydrophobicContact CE1-CG 3.69Å; Y15-F50 AromaticContact CE2-CD1 3.53Å; Y15-F50 HydrophobicContact CE2-CD1 3.53Å; Y15-F50 AromaticContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CG 4.32Å; Y15-F50 HydrophobicContact CE2-CZ 4.42Å; Y15-F50 HydrophobicContact CG-CB 4.35Å; Y15-F50 AromaticContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CG 4.4Å; Y15-F50 AromaticContact CZ-CD1 3.56Å; Y15-F50 AromaticContact CZ-CE1 3.86Å; Y15-F50 AromaticContact CZ-CG 3.88Å
16V94.1Very high91.9Very high39 Ų3962.7 Ų62.724%0.23633%0.329CS..Hα-helixtrans-67.5-42.1171.3168.30000110.7L12 A13 Y19 L20 F32 L51L12-V16 HydrophobicContact CD1-CG2 4.2Å; L12-V16 HydrophobicContact CG-CG2 4.37Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å; L12-V16 PolarHBondContact O-N 2.99Å; A13-V16 PolarHBondContact O-N 3.4Å; V16-Y19 PolarHBondContact O-N 3.43Å; V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 HydrophobicContact CG1-CG 4.49Å; V16-L20 VanDerWaalsContact O-CG 3.3Å; V16-L20 WeakPolarHBondContact O-CG 3.5Å; V16-L20 PolarHBondContact O-N 3.36Å; V16-F32 HydrophobicContact CB-CE1 4.25Å; V16-F32 HydrophobicContact CB-CZ 4.23Å; V16-F32 HydrophobicContact CG1-CD1 4.47Å; V16-F32 HydrophobicContact CG1-CE1 3.99Å; V16-F32 HydrophobicContact CG1-CE2 4.31Å; V16-F32 HydrophobicContact CG1-CZ 3.9Å; V16-L51 HydrophobicContact CG2-CD2 3.88Å
17Y93.4Very high92.2Very high24 Ų2469.6 Ų69.69%0.09435%0.349CS..Hα-helixtrans-62.1-47.4174.3175.4-101.1000112.1A13 L14 Y19 L20 L21 A29 L33 I42 L44A13-Y17 PolarHBondContact O-N 3.14Å; L14-Y17 PolarHBondContact O-N 3.32Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.5Å; Y17-L20 PolarHBondContact O-N 3.22Å; Y17-L21 HydrophobicContact CD1-CD1 4.12Å; Y17-L21 HydrophobicContact CE1-CD1 3.44Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.44Å; Y17-L21 HydrophobicContact CE1-CG 4.1Å; Y17-L21 HydrophobicContact CE2-CD1 4.45Å; Y17-L21 HydrophobicContact CE2-CD2 4.32Å; Y17-L21 HydrophobicContact CE2-CG 4.34Å; Y17-L21 PolarHBondContact O-N 3.04Å; Y17-A29 HydrophobicContact CD2-CB 3.76Å; Y17-A29 WeakPolarHBondContact CD2-O 3.31Å; Y17-A29 HydrophobicContact CE2-CB 3.61Å; Y17-A29 WeakPolarHBondContact CE2-O 3.48Å; Y17-L33 HydrophobicContact CD2-CD1 3.7Å; Y17-L33 HydrophobicContact CD2-CD2 3.69Å; Y17-L33 HydrophobicContact CD2-CG 3.5Å; Y17-L33 HydrophobicContact CE1-CD1 4.35Å; Y17-L33 HydrophobicContact CE2-CD1 3.29Å; Y17-L33 HydrophobicContact CE2-CD2 4.21Å; Y17-L33 HydrophobicContact CE2-CG 3.61Å; Y17-L33 HydrophobicContact CG-CD1 4.38Å; Y17-L33 HydrophobicContact CG-CD2 3.92Å; Y17-L33 HydrophobicContact CG-CG 4.23Å; Y17-I42 HydrophobicContact CD1-CD1 3.86Å; Y17-I42 HydrophobicContact CD1-CG2 3.82Å; Y17-I42 HydrophobicContact CE1-CD1 3.65Å; Y17-I42 HydrophobicContact CE1-CG2 3.79Å; Y17-I42 HydrophobicContact CG-CD1 4.44Å; Y17-L44 HydrophobicContact CD1-CD2 4.17Å; Y17-L44 HydrophobicContact CE1-CD2 4.01Å
18E92.6Very high92.6Very high10 Ų1067.5 Ų67.55%0.04735%0.346CS..Hα-helixtrans-54.9-47.6174177.9-178.1-119.500111.5L14 L20 L21 H22 L44 G45 G49 F50L14-E18 PolarHBondContact O-N 3.41Å; E18-L20 PolarHBondContact O-N 3.27Å; E18-L21 PolarHBondContact O-N 3.41Å; E18-H22 VanDerWaalsContact CG-CE1 3.44Å; E18-H22 WeakPolarHBondContact CG-CE1 3.04Å; E18-H22 PolarHBondContact O-N 2.69Å; E18-L44 HydrophobicContact CB-CD2 4.34Å; E18-G45 WeakPolarHBondContact OE1-CA 3.34Å; E18-G45 PolarHBondContact OE1-N 3.49Å; E18-G49 WeakPolarHBondContact OE2-CA 3.44Å; E18-F50 PolarHBondContact OE2-N 3.41Å
19Y92.9Very high92.8Very high90 Ų9065.1 Ų65.135%0.35333%0.327SS..Hα-helixtrans-59.1-47.4176.3172.7-105000112.5Y15 V16 Y17 L21 H22 V23 L51 H52Y15-Y19 WeakPolarHBondContact O-CB 3.41Å; Y15-Y19 PolarHBondContact O-N 3.22Å; V16-Y19 PolarHBondContact O-N 3.43Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.5Å; Y19-L21 VanDerWaalsContact C-N 3.26Å; Y19-L21 PolarHBondContact O-N 3.24Å; Y19-H22 PolarHBondContact O-N 2.67Å; Y19-H22 VanDerWaalsContact O-N 3.14Å; Y19-V23 HydrophobicContact CD2-CG1 3.95Å; Y19-V23 HydrophobicContact CE1-CG1 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 4.47Å; Y19-V23 HydrophobicContact CE2-CG1 3.43Å; Y19-V23 VanDerWaalsContact CE2-CG1 3.43Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 2.86Å; Y19-L51 HydrophobicContact CG-CD2 4.28Å; Y19-H52 HydrophobicContact CD2-CB 4.22Å; Y19-H52 AromaticContact CE2-ND1 3.97Å
20L93.9Very high92.9Very high32 Ų3262.1 Ų62.117%0.16832%0.32CS..Hα-helixtrans-59.9-35.8178.4-72.2170.3000112.2V16 Y17 E18 A25 A29 F32V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 HydrophobicContact CG1-CG 4.49Å; V16-L20 VanDerWaalsContact O-CG 3.3Å; V16-L20 WeakPolarHBondContact O-CG 3.5Å; V16-L20 PolarHBondContact O-N 3.36Å; Y17-L20 PolarHBondContact O-N 3.22Å; E18-L20 PolarHBondContact O-N 3.27Å; L20-A25 HydrophobicContact CB-CB 4.48Å; L20-A25 HydrophobicContact CD2-CB 4.04Å; L20-A25 CarbonylContact O-C 3.49Å; L20-A25 WeakPolarHBondContact O-CA 3.3Å; L20-A25 WeakPolarHBondContact O-CB 3.46Å; L20-A25 PolarHBondContact O-N 3.2Å; L20-A29 HydrophobicContact CB-CB 3.75Å; L20-F32 HydrophobicContact CD1-CB 4.2Å; L20-F32 HydrophobicContact CD1-CD1 4.46Å; L20-F32 HydrophobicContact CD1-CG 4.35Å
21L91.5Very high93.1Very high20 Ų2061.4 Ų61.411%0.10532%0.322CS..Hα-helixtrans-68-46.9172.7-66-179000112.1Y17 E18 Y19 V23 G24 Q26 A29 L44Y17-L21 HydrophobicContact CD1-CD1 4.12Å; Y17-L21 HydrophobicContact CE1-CD1 3.44Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.44Å; Y17-L21 HydrophobicContact CE1-CG 4.1Å; Y17-L21 HydrophobicContact CE2-CD1 4.45Å; Y17-L21 HydrophobicContact CE2-CD2 4.32Å; Y17-L21 HydrophobicContact CE2-CG 4.34Å; Y17-L21 PolarHBondContact O-N 3.04Å; E18-L21 PolarHBondContact O-N 3.41Å; Y19-L21 VanDerWaalsContact C-N 3.26Å; Y19-L21 PolarHBondContact O-N 3.24Å; L21-V23 PolarHBondContact O-N 2.9Å; L21-G24 PolarHBondContact O-N 3.19Å; L21-Q26 PolarHBondContact O-NE2 3.25Å; L21-A29 HydrophobicContact CD2-CB 3.67Å; L21-A29 HydrophobicContact CG-CB 4.15Å; L21-L44 HydrophobicContact CD1-CD1 3.53Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å; L21-L44 HydrophobicContact CD1-CG 4.27Å
22H89.6Confident93.3Very high64 Ų6458 Ų5830%0.29631%0.307SS..Hα-helixtrans-65.8-32.1-177.7-70.2157000113.7E18 Y19 G24 P48 G49E18-H22 VanDerWaalsContact CG-CE1 3.44Å; E18-H22 WeakPolarHBondContact CG-CE1 3.04Å; E18-H22 PolarHBondContact O-N 2.69Å; Y19-H22 PolarHBondContact O-N 2.67Å; Y19-H22 VanDerWaalsContact O-N 3.14Å; H22-G24 PolarHBondContact O-N 3.46Å; H22-P48 VanDerWaalsContact ND1-C 3.28Å; H22-P48 PolarHBondContact ND1-O 2.96Å; H22-P48 VanDerWaalsContact ND1-O 3.14Å; H22-G49 PolarHBondContact ND1-N 3.36Å
23V92.3Very high93.3Very high79 Ų7954.6 Ų54.648%0.47929%0.289SS..THydrogen-bonded Turntrans-81.94.4172.2-54.90000113.8Y19 L21 A25Y19-V23 HydrophobicContact CD2-CG1 3.95Å; Y19-V23 HydrophobicContact CE1-CG1 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 4.47Å; Y19-V23 HydrophobicContact CE2-CG1 3.43Å; Y19-V23 VanDerWaalsContact CE2-CG1 3.43Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 2.86Å; L21-V23 PolarHBondContact O-N 2.9Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 HydrophobicContact CG2-CB 3.94Å; V23-A25 PolarHBondContact O-N 3.05Å
24G91.8Very high93.3Very high53 Ų5357.8 Ų57.855%0.54631%0.311SS..THydrogen-bonded Turntrans79.95.7178.700000115.2L21 H22 Q26L21-G24 PolarHBondContact O-N 3.19Å; H22-G24 PolarHBondContact O-N 3.46Å; G24-Q26 PolarHBondContact O-N 2.92Å
25A94.3Very high93.3Very high27 Ų2763.5 Ų63.522%0.22334%0.336CS..  trans-78.949.2179.300000112.7L20 V23 K27 S28 A29L20-A25 HydrophobicContact CB-CB 4.48Å; L20-A25 HydrophobicContact CD2-CB 4.04Å; L20-A25 CarbonylContact O-C 3.49Å; L20-A25 WeakPolarHBondContact O-CA 3.3Å; L20-A25 WeakPolarHBondContact O-CB 3.46Å; L20-A25 PolarHBondContact O-N 3.2Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 HydrophobicContact CG2-CB 3.94Å; V23-A25 PolarHBondContact O-N 3.05Å; A25-K27 VanDerWaalsContact C-N 3.29Å; A25-K27 PolarHBondContact O-N 2.79Å; A25-S28 PolarHBondContact O-N 2.93Å; A25-A29 PolarHBondContact O-N 2.96Å
26Q92.9Very high93.3Very high103 Ų10364.2 Ų64.248%0.48134%0.344SS..Hα-helixtrans-52.9-40.5-173.3-64.9-69.9-45.200113.7L21 G24 Q30L21-Q26 PolarHBondContact O-NE2 3.25Å; G24-Q26 PolarHBondContact O-N 2.92Å; Q26-Q30 WeakPolarHBondContact O-CG 3.43Å; Q26-Q30 PolarHBondContact O-N 3.43Å
27K95.4Very high93.2Very high183 Ų18372.3 Ų72.380%0.79637%0.37SS*.Hα-helixtrans-66.2-47.3177.2-66.9-175.7179.5-179.10111.5A25 A29 Q30 T31A25-K27 VanDerWaalsContact C-N 3.29Å; A25-K27 PolarHBondContact O-N 2.79Å; K27-A29 VanDerWaalsContact C-N 3.3Å; K27-A29 PolarHBondContact O-N 2.85Å; K27-Q30 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-N 2.98Å; K27-T31 PolarHBondContact O-OG1 3.37Å
28S96.3Very high93.2Very high64 Ų6473.6 Ų73.645%0.44838%0.375SS..Hα-helixtrans-62.9-37.6177.7-48.10000111.9A25 T31 F32A25-S28 PolarHBondContact O-N 2.93Å; S28-T31 PolarHBondContact O-N 2.98Å; S28-F32 WeakPolarHBondContact O-CB 3.47Å; S28-F32 PolarHBondContact O-N 2.85Å
29A93.9Very high92.9Very high0 Ų082 Ų820%041%0.414CS..Hα-helixtrans-60.2-45.9174.900000111.9Y17 L20 L21 A25 K27 L33Y17-A29 HydrophobicContact CD2-CB 3.76Å; Y17-A29 WeakPolarHBondContact CD2-O 3.31Å; Y17-A29 HydrophobicContact CE2-CB 3.61Å; Y17-A29 WeakPolarHBondContact CE2-O 3.48Å; L20-A29 HydrophobicContact CB-CB 3.75Å; L21-A29 HydrophobicContact CD2-CB 3.67Å; L21-A29 HydrophobicContact CG-CB 4.15Å; A25-A29 PolarHBondContact O-N 2.96Å; K27-A29 VanDerWaalsContact C-N 3.3Å; K27-A29 PolarHBondContact O-N 2.85Å; A29-L33 PolarHBondContact O-N 2.88Å
30Q91.8Very high92.6Very high121 Ų12182.7 Ų82.757%0.56542%0.419SS*.Hα-helixtrans-64.7-48.3176.3-72.3-74.2-19.900112.2Q26 K27 F32 L33 S34Q26-Q30 WeakPolarHBondContact O-CG 3.43Å; Q26-Q30 PolarHBondContact O-N 3.43Å; K27-Q30 PolarHBondContact O-N 3.37Å; Q30-F32 VanDerWaalsContact C-N 3.34Å; Q30-F32 PolarHBondContact O-N 3.47Å; Q30-L33 PolarHBondContact O-N 3.39Å; Q30-S34 PolarHBondContact O-N 2.75Å
31T95.8Very high92Very high68 Ų6888.9 Ų88.942%0.41745%0.452SS..Hα-helixtrans-58.3-46.1177.1-61.50000111.3K27 S28 L33 S34 E35K27-T31 PolarHBondContact O-N 2.98Å; K27-T31 PolarHBondContact O-OG1 3.37Å; S28-T31 PolarHBondContact O-N 2.98Å; T31-L33 PolarHBondContact O-N 3.2Å; T31-S34 PolarHBondContact O-N 2.95Å; T31-S34 PolarHBondContact O-OG 3.4Å; T31-E35 HydrophobicContact CG2-CG 4.21Å; T31-E35 VanDerWaalsContact CG2-OE1 3.31Å; T31-E35 WeakPolarHBondContact CG2-OE1 3.36Å; T31-E35 WeakPolarHBondContact O-CG 3.16Å; T31-E35 PolarHBondContact O-N 2.94Å
32F95.2Very high91.4Very high48 Ų4890.5 Ų90.521%0.21146%0.46CS..Hα-helixtrans-56.1-46.1178.8175.2-108.9000113A13 V16 L20 S28 Q30 S34 E35 I36A13-F32 HydrophobicContact CB-CE1 4.27Å; A13-F32 HydrophobicContact CB-CZ 4.08Å; A13-F32 WeakPolarHBondContact O-CE1 3.35Å; V16-F32 HydrophobicContact CB-CE1 4.25Å; V16-F32 HydrophobicContact CB-CZ 4.23Å; V16-F32 HydrophobicContact CG1-CD1 4.47Å; V16-F32 HydrophobicContact CG1-CE1 3.99Å; V16-F32 HydrophobicContact CG1-CE2 4.31Å; V16-F32 HydrophobicContact CG1-CZ 3.9Å; L20-F32 HydrophobicContact CD1-CB 4.2Å; L20-F32 HydrophobicContact CD1-CD1 4.46Å; L20-F32 HydrophobicContact CD1-CG 4.35Å; S28-F32 WeakPolarHBondContact O-CB 3.47Å; S28-F32 PolarHBondContact O-N 2.85Å; Q30-F32 VanDerWaalsContact C-N 3.34Å; Q30-F32 PolarHBondContact O-N 3.47Å; F32-S34 VanDerWaalsContact C-N 3.31Å; F32-S34 PolarHBondContact O-N 3.37Å; F32-E35 PolarHBondContact O-N 3.32Å; F32-I36 HydrophobicContact CD1-CD1 4.22Å; F32-I36 HydrophobicContact CD2-CG2 4.27Å; F32-I36 HydrophobicContact CE1-CD1 3.73Å; F32-I36 HydrophobicContact CE2-CD1 4.39Å; F32-I36 HydrophobicContact CE2-CG2 3.95Å; F32-I36 HydrophobicContact CZ-CD1 3.83Å; F32-I36 HydrophobicContact CZ-CG2 4.34Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.05Å; F32-I36 VanDerWaalsContact O-N 3.16Å
33L92.4Very high90.9Very high25 Ų2592.9 Ų92.913%0.13148%0.479CS..Hα-helixtrans-61.9-38.2175.5-66.4-177.6000112.5Y17 A29 Q30 T31 R37 W38 I42Y17-L33 HydrophobicContact CD2-CD1 3.7Å; Y17-L33 HydrophobicContact CD2-CD2 3.69Å; Y17-L33 HydrophobicContact CD2-CG 3.5Å; Y17-L33 HydrophobicContact CE1-CD1 4.35Å; Y17-L33 HydrophobicContact CE2-CD1 3.29Å; Y17-L33 HydrophobicContact CE2-CD2 4.21Å; Y17-L33 HydrophobicContact CE2-CG 3.61Å; Y17-L33 HydrophobicContact CG-CD1 4.38Å; Y17-L33 HydrophobicContact CG-CD2 3.92Å; Y17-L33 HydrophobicContact CG-CG 4.23Å; A29-L33 PolarHBondContact O-N 2.88Å; Q30-L33 PolarHBondContact O-N 3.39Å; T31-L33 PolarHBondContact O-N 3.2Å; L33-R37 PolarHBondContact O-N 3.46Å; L33-W38 HydrophobicContact CB-CB 4.14Å; L33-W38 HydrophobicContact CD2-CB 3.73Å; L33-W38 HydrophobicContact CD2-CD2 4.45Å; L33-W38 HydrophobicContact CD2-CG 3.73Å; L33-W38 HydrophobicContact CG-CB 4.49Å; L33-W38 PolarHBondContact O-N 3.37Å; L33-I42 HydrophobicContact CD1-CD1 3.45Å; L33-I42 VanDerWaalsContact CD1-CD1 3.45Å; L33-I42 HydrophobicContact CD2-CD1 3.79Å; L33-I42 HydrophobicContact CG-CD1 4.28Å
34S92.4Very high90.3Very high82 Ų8293.5 Ų93.557%0.57348%0.479SS*.Hα-helixtrans-70.1-38.5179.772.10000112.7Q30 T31 F32 R37Q30-S34 PolarHBondContact O-N 2.75Å; T31-S34 PolarHBondContact O-N 2.95Å; T31-S34 PolarHBondContact O-OG 3.4Å; F32-S34 VanDerWaalsContact C-N 3.31Å; F32-S34 PolarHBondContact O-N 3.37Å; S34-R37 PolarHBondContact O-N 3.16Å
35E94.9Very high89.6Confident145 Ų14592.9 Ų92.968%0.67847%0.473SS*.Hα-helixtrans-67.4-44.4178.9-73.9177.9-179.400111.9T31 F32 R37T31-E35 HydrophobicContact CG2-CG 4.21Å; T31-E35 VanDerWaalsContact CG2-OE1 3.31Å; T31-E35 WeakPolarHBondContact CG2-OE1 3.36Å; T31-E35 WeakPolarHBondContact O-CG 3.16Å; T31-E35 PolarHBondContact O-N 2.94Å; F32-E35 PolarHBondContact O-N 3.32Å; E35-R37 PolarHBondContact O-N 2.69Å
36I93Very high88.9Confident72 Ų72100 Ų10037%0.36950%0.502SS..THydrogen-bonded Turntrans-80.10.7178.275.2-173.7000113.4A13 F32 W38A13-I36 HydrophobicContact CB-CD1 3.94Å; F32-I36 HydrophobicContact CD1-CD1 4.22Å; F32-I36 HydrophobicContact CD2-CG2 4.27Å; F32-I36 HydrophobicContact CE1-CD1 3.73Å; F32-I36 HydrophobicContact CE2-CD1 4.39Å; F32-I36 HydrophobicContact CE2-CG2 3.95Å; F32-I36 HydrophobicContact CZ-CD1 3.83Å; F32-I36 HydrophobicContact CZ-CG2 4.34Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.05Å; F32-I36 VanDerWaalsContact O-N 3.16Å; I36-W38 HydrophobicContact CD1-CB 4.1Å; I36-W38 HydrophobicContact CD1-CD2 4.38Å; I36-W38 HydrophobicContact CD1-CE3 3.77Å; I36-W38 HydrophobicContact CG1-CB 3.85Å; I36-W38 HydrophobicContact CG1-CE3 4.38Å
37R91.7Very high88.3Confident209 Ų20999.7 Ų99.779%0.78951%0.509SS*.THydrogen-bonded Turntrans50.654.8-174.3-59.5-177.7175.2-166.4-2112.3L33 S34 E35 E39L33-R37 PolarHBondContact O-N 3.46Å; S34-R37 PolarHBondContact O-N 3.16Å; E35-R37 PolarHBondContact O-N 2.69Å; R37-E39 PolarHBondContact O-N 3.33Å
38W92.3Very high87.4Confident51 Ų5194.2 Ų94.219%0.19349%0.492CS..  trans-75.7106.6-176.7-169.5-90.8000112.3E10 A13 L14 L33 I36 K40E10-W38 HydrophobicContact CB-CH2 4.19Å; E10-W38 HydrophobicContact CB-CZ3 4.37Å; E10-W38 HydrophobicContact CG-CZ3 4.5Å; E10-W38 VanDerWaalsContact O-CH2 3.3Å; E10-W38 WeakPolarHBondContact O-CH2 3.33Å; A13-W38 HydrophobicContact CB-CE3 4.3Å; A13-W38 HydrophobicContact CB-CZ3 3.86Å; L14-W38 HydrophobicContact CB-CH2 4.43Å; L14-W38 HydrophobicContact CB-CZ2 4.37Å; L14-W38 HydrophobicContact CD1-CZ2 4.45Å; L33-W38 HydrophobicContact CB-CB 4.14Å; L33-W38 HydrophobicContact CD2-CB 3.73Å; L33-W38 HydrophobicContact CD2-CD2 4.45Å; L33-W38 HydrophobicContact CD2-CG 3.73Å; L33-W38 HydrophobicContact CG-CB 4.49Å; L33-W38 PolarHBondContact O-N 3.37Å; I36-W38 HydrophobicContact CD1-CB 4.1Å; I36-W38 HydrophobicContact CD1-CD2 4.38Å; I36-W38 HydrophobicContact CD1-CE3 3.77Å; I36-W38 HydrophobicContact CG1-CB 3.85Å; I36-W38 HydrophobicContact CG1-CE3 4.38Å; W38-K40 VanDerWaalsContact CD1-O 3.23Å; W38-K40 HydrophobicContact CZ2-CB 3.93Å; W38-K40 HydrophobicContact CZ2-CD 4.46Å; W38-K40 HydrophobicContact CZ2-CG 4.44Å; W38-K40 PolarHBondContact NE1-O 2.8Å
39E87.1Confident87Confident185 Ų18591.5 Ų91.586%0.86447%0.474SS*.  trans-101.42-177.9-66.8175.9-174.800113.9R37R37-E39 PolarHBondContact O-N 3.33Å
40K85.9Confident86.8Confident106 Ų10695.7 Ų95.746%0.46149%0.493SS..SBendtrans-95.3145.5-174-50.3-168.2-171-165.40111.9E10 W38 I42E10-K40 IonicContact OE1-NZ 2.67Å; E10-K40 PolarHBondContact OE1-NZ 3.36Å; E10-K40 IonicContact OE2-NZ 2.69Å; E10-K40 PolarHBondContact OE2-NZ 3.16Å; W38-K40 VanDerWaalsContact CD1-O 3.23Å; W38-K40 HydrophobicContact CZ2-CB 3.93Å; W38-K40 HydrophobicContact CZ2-CD 4.46Å; W38-K40 HydrophobicContact CZ2-CG 4.44Å; W38-K40 PolarHBondContact NE1-O 2.8Å; K40-I42 PolarHBondContact O-N 3.3Å
41N81.6Confident86.8Confident161 Ų16192.2 Ų92.286%0.86148%0.477SS*.  trans-56.9139.3174.5-71.8-60.7000111.7
42I79.3Confident86.6Confident55 Ų5592.6 Ų92.628%0.28247%0.474SS..  trans-110.5119.9-178-53177.1000109.6Y17 L33 K40 L44Y17-I42 HydrophobicContact CD1-CD1 3.86Å; Y17-I42 HydrophobicContact CD1-CG2 3.82Å; Y17-I42 HydrophobicContact CE1-CD1 3.65Å; Y17-I42 HydrophobicContact CE1-CG2 3.79Å; Y17-I42 HydrophobicContact CG-CD1 4.44Å; L33-I42 HydrophobicContact CD1-CD1 3.45Å; L33-I42 VanDerWaalsContact CD1-CD1 3.45Å; L33-I42 HydrophobicContact CD2-CD1 3.79Å; L33-I42 HydrophobicContact CG-CD1 4.28Å; K40-I42 PolarHBondContact O-N 3.3Å; I42-L44 HydrophobicContact CG2-CD2 3.93Å; I42-L44 HydrophobicContact CG2-CG 4.4Å
43T78.7Confident86.4Confident113 Ų11392.5 Ų92.569%0.69348%0.48SS*.  trans-102.4120.916853.30000108.6
44L80.1Confident86.5Confident92 Ų9298.8 Ų98.848%0.48250%0.502SS..  trans-91.2138177.1-61.2173.9000110.2Y17 E18 L21 I42Y17-L44 HydrophobicContact CD1-CD2 4.17Å; Y17-L44 HydrophobicContact CE1-CD2 4.01Å; E18-L44 HydrophobicContact CB-CD2 4.34Å; L21-L44 HydrophobicContact CD1-CD1 3.53Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å; L21-L44 HydrophobicContact CD1-CG 4.27Å; I42-L44 HydrophobicContact CG2-CD2 3.93Å; I42-L44 HydrophobicContact CG2-CG 4.4Å
45G77.6Confident86.6Confident41 Ų41101.6 Ų101.642%0.42350%0.5SS..  trans-83.5-176.1169.900000112.4E18E18-G45 WeakPolarHBondContact OE1-CA 3.34Å; E18-G45 PolarHBondContact OE1-N 3.49Å
46E79.7Confident86.5Confident176 Ų17697.6 Ų97.682%0.82249%0.487SS*.SBendtrans-75.9146.4171.1-70.4-158.7152.900111.7G49E46-G49 PolarHBondContact O-N 3.03Å
47P79.6Confident86.5Confident96 Ų9697.3 Ų97.362%0.62349%0.489SS*.THydrogen-bonded Turntrans-61.1142.2172.526.3-34.5000110.8
48P75.6Confident86.6Confident69 Ų6992.2 Ų92.245%0.44847%0.472SS..THydrogen-bonded Turncis-86.14.814.134.9-37.4000115.6H22 H52H22-P48 VanDerWaalsContact ND1-C 3.28Å; H22-P48 PolarHBondContact ND1-O 2.96Å; H22-P48 VanDerWaalsContact ND1-O 3.14Å; P48-H52 HydrophobicContact CB-CB 4.35Å
49G87.9Confident86.6Confident7 Ų795.4 Ų95.47%0.07249%0.485CS..  trans84.1168-17800000114.3E18 H22 E46 S53E18-G49 WeakPolarHBondContact OE2-CA 3.44Å; H22-G49 PolarHBondContact ND1-N 3.36Å; E46-G49 PolarHBondContact O-N 3.03Å; G49-S53 PolarHBondContact O-N 3.14Å; G49-S53 PolarHBondContact O-OG 3.32Å
50F90.6Very high86.9Confident88 Ų8888.7 Ų88.739%0.38646%0.455SS..Hα-helixtrans-68.6-48.4-171.2179.8-92000112.4Y15 E18 H52 S53 W54Y15-F50 HydrophobicContact CD1-CB 3.67Å; Y15-F50 AromaticContact CD1-CD1 3.77Å; Y15-F50 HydrophobicContact CD1-CD1 3.77Å; Y15-F50 AromaticContact CD1-CG 3.97Å; Y15-F50 HydrophobicContact CD1-CG 3.97Å; Y15-F50 AromaticContact CD2-CD1 3.61Å; Y15-F50 HydrophobicContact CD2-CD1 3.61Å; Y15-F50 AromaticContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CE1-CB 3.7Å; Y15-F50 AromaticContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD2 4.45Å; Y15-F50 HydrophobicContact CE1-CE1 4.44Å; Y15-F50 AromaticContact CE1-CG 3.69Å; Y15-F50 HydrophobicContact CE1-CG 3.69Å; Y15-F50 AromaticContact CE2-CD1 3.53Å; Y15-F50 HydrophobicContact CE2-CD1 3.53Å; Y15-F50 AromaticContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CG 4.32Å; Y15-F50 HydrophobicContact CE2-CZ 4.42Å; Y15-F50 HydrophobicContact CG-CB 4.35Å; Y15-F50 AromaticContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CG 4.4Å; Y15-F50 AromaticContact CZ-CD1 3.56Å; Y15-F50 AromaticContact CZ-CE1 3.86Å; Y15-F50 AromaticContact CZ-CG 3.88Å; E18-F50 PolarHBondContact OE2-N 3.41Å; F50-H52 PolarHBondContact O-N 2.93Å; F50-S53 PolarHBondContact O-N 3.33Å; F50-W54 AromaticContact CE1-CD1 3.83Å; F50-W54 HydrophobicContact CE1-CG 4.37Å; F50-W54 AromaticContact CE2-CD1 3.44Å; F50-W54 VanDerWaalsContact CE2-CD1 3.44Å; F50-W54 AromaticContact CE2-NE1 3.71Å; F50-W54 AromaticContact CZ-CD1 3.29Å; F50-W54 HydrophobicContact CZ-CG 4.16Å; F50-W54 AromaticContact CZ-NE1 3.6Å; F50-W54 PolarHBondContact O-N 2.92Å
51L92.5Very high87.2Confident47 Ų4786.2 Ų86.225%0.24645%0.446CS..Hα-helixtrans-59.9-46.1-175-172.260.6000112L12 V16 Y19 W55L12-L51 HydrophobicContact CD1-CD1 4.37Å; V16-L51 HydrophobicContact CG2-CD2 3.88Å; Y19-L51 HydrophobicContact CG-CD2 4.28Å; L51-W55 WeakPolarHBondContact O-CB 3.18Å; L51-W55 PolarHBondContact O-N 3.43Å
52H90.6Very high87.6Confident76 Ų7682.7 Ų82.735%0.35242%0.421SS..Hα-helixtrans-64.3-46.9-178.8-171.876.8000111.2Y19 P48 F50 W54 W55 C56Y19-H52 HydrophobicContact CD2-CB 4.22Å; Y19-H52 AromaticContact CE2-ND1 3.97Å; P48-H52 HydrophobicContact CB-CB 4.35Å; F50-H52 PolarHBondContact O-N 2.93Å; H52-W54 PolarHBondContact O-N 3.04Å; H52-W55 PolarHBondContact O-N 3.37Å; H52-C56 PolarHBondContact O-N 3.27Å; H52-C56 PolarHBondContact O-SG 2.88Å; H52-C56 VanDerWaalsContact O-SG 3.32Å
53S91.1Very high88.2Confident46 Ų4680.2 Ų80.232%0.32241%0.409SS..Hα-helixtrans-58.7-46.9179.5-550000112.1G49 F50 V57G49-S53 PolarHBondContact O-N 3.14Å; G49-S53 PolarHBondContact O-OG 3.32Å; F50-S53 PolarHBondContact O-N 3.33Å; S53-V57 PolarHBondContact O-N 2.97Å
54W94.4Very high88.6Confident158 Ų15874.9 Ų74.960%0.59838%0.376SS*.Hα-helixtrans-69.8-37.8177.4-106.599.4000113.1F50 H52 V57 F58F50-W54 AromaticContact CE1-CD1 3.83Å; F50-W54 HydrophobicContact CE1-CG 4.37Å; F50-W54 AromaticContact CE2-CD1 3.44Å; F50-W54 VanDerWaalsContact CE2-CD1 3.44Å; F50-W54 AromaticContact CE2-NE1 3.71Å; F50-W54 AromaticContact CZ-CD1 3.29Å; F50-W54 HydrophobicContact CZ-CG 4.16Å; F50-W54 AromaticContact CZ-NE1 3.6Å; F50-W54 PolarHBondContact O-N 2.92Å; H52-W54 PolarHBondContact O-N 3.04Å; W54-V57 PolarHBondContact O-N 3.35Å; W54-F58 WeakPolarHBondContact O-CB 3.35Å; W54-F58 PolarHBondContact O-N 3.42Å
55W94.9Very high88.9Confident140 Ų14071 Ų7153%0.5336%0.357SS..Hα-helixtrans-64.9-39.7177.3-177.1-103.8000112.1L51 H52 F58 W59L51-W55 WeakPolarHBondContact O-CB 3.18Å; L51-W55 PolarHBondContact O-N 3.43Å; H52-W55 PolarHBondContact O-N 3.37Å; W55-F58 AromaticContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CE1 4.45Å; W55-F58 HydrophobicContact CH2-CD1 4.06Å; W55-F58 AromaticContact CH2-CE1 3.97Å; W55-F58 HydrophobicContact CH2-CE1 3.97Å; W55-F58 AromaticContact CZ3-CD1 3.57Å; W55-F58 HydrophobicContact CZ3-CD1 3.57Å; W55-F58 AromaticContact CZ3-CE1 3.73Å; W55-F58 HydrophobicContact CZ3-CE1 3.73Å; W55-F58 PolarHBondContact O-N 2.88Å; W55-W59 HydrophobicContact CZ2-CE3 4.16Å; W55-W59 VanDerWaalsContact O-CB 3.27Å; W55-W59 WeakPolarHBondContact O-CB 3.35Å; W55-W59 PolarHBondContact O-N 3.4Å
56C92.6Very high88.9Confident61 Ų6172 Ų7241%0.41236%0.356SS..Hα-helixtrans-59.4-46.9174-72.30000112H52 W59 D60H52-C56 PolarHBondContact O-N 3.27Å; H52-C56 PolarHBondContact O-SG 2.88Å; H52-C56 VanDerWaalsContact O-SG 3.32Å; C56-W59 PolarHBondContact O-N 3.33Å; C56-D60 VanDerWaalsContact O-CB 3.26Å; C56-D60 WeakPolarHBondContact O-CB 3.42Å; C56-D60 PolarHBondContact O-N 2.93Å
57V92.9Very high89Confident67 Ų6770.9 Ų70.941%0.40635%0.351SS..Hα-helixtrans-65-42.7177.5175.90000111.5S53 W54 L61S53-V57 PolarHBondContact O-N 2.97Å; W54-V57 PolarHBondContact O-N 3.35Å; V57-L61 WeakPolarHBondContact O-CB 2.97Å; V57-L61 PolarHBondContact O-N 3.4Å
58F94.5Very high88.9Confident101 Ų10171.4 Ų71.444%0.44334%0.341SS..Hα-helixtrans-61.4-45.9176.1172.2-97.1000112W54 W55 L61 Y62W54-F58 WeakPolarHBondContact O-CB 3.35Å; W54-F58 PolarHBondContact O-N 3.42Å; W55-F58 AromaticContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CE1 4.45Å; W55-F58 HydrophobicContact CH2-CD1 4.06Å; W55-F58 AromaticContact CH2-CE1 3.97Å; W55-F58 HydrophobicContact CH2-CE1 3.97Å; W55-F58 AromaticContact CZ3-CD1 3.57Å; W55-F58 HydrophobicContact CZ3-CD1 3.57Å; W55-F58 AromaticContact CZ3-CE1 3.73Å; W55-F58 HydrophobicContact CZ3-CE1 3.73Å; W55-F58 PolarHBondContact O-N 2.88Å; F58-L61 PolarHBondContact O-N 3.43Å; F58-Y62 VanDerWaalsContact O-CB 3.24Å; F58-Y62 WeakPolarHBondContact O-CB 3.36Å; F58-Y62 PolarHBondContact O-N 3.17Å
59W92.6Very high88.9Confident118 Ų11871.6 Ų71.645%0.44733%0.332SS..Hα-helixtrans-65.9-42.1-179.7-175.9-99.2000112.2W55 C56 Y62 C63W55-W59 HydrophobicContact CZ2-CE3 4.16Å; W55-W59 VanDerWaalsContact O-CB 3.27Å; W55-W59 WeakPolarHBondContact O-CB 3.35Å; W55-W59 PolarHBondContact O-N 3.4Å; C56-W59 PolarHBondContact O-N 3.33Å; W59-Y62 AromaticContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CE1 4.35Å; W59-Y62 HydrophobicContact CH2-CD1 4.21Å; W59-Y62 HydrophobicContact CH2-CE1 4.06Å; W59-Y62 AromaticContact CZ3-CD1 3.71Å; W59-Y62 HydrophobicContact CZ3-CD1 3.71Å; W59-Y62 AromaticContact CZ3-CE1 3.71Å; W59-Y62 HydrophobicContact CZ3-CE1 3.71Å; W59-Y62 PolarHBondContact O-N 3.23Å; W59-C63 WeakPolarHBondContact O-CB 3.4Å; W59-C63 PolarHBondContact O-N 3.01Å
60D92.7Very high88.2Confident44 Ų4478.3 Ų78.324%0.23537%0.367CS..Hα-helixtrans-61.7-45.7175.9-172.433.4000111.4C56 Y62 C63 A64 H74 S75 A78C56-D60 VanDerWaalsContact O-CB 3.26Å; C56-D60 WeakPolarHBondContact O-CB 3.42Å; C56-D60 PolarHBondContact O-N 2.93Å; D60-Y62 VanDerWaalsContact C-N 3.35Å; D60-Y62 PolarHBondContact O-N 3.45Å; D60-C63 PolarHBondContact O-N 3.46Å; D60-A64 VanDerWaalsContact O-CB 3.3Å; D60-A64 WeakPolarHBondContact O-CB 3.01Å; D60-A64 PolarHBondContact O-N 3.34Å; D60-H74 WeakPolarHBondContact OD1-CA 3.49Å; D60-S75 WeakPolarHBondContact OD1-CB 3.1Å; D60-S75 PolarHBondContact OD1-N 2.91Å; D60-S75 WeakPolarHBondContact OD2-CB 3.39Å; D60-A78 HydrophobicContact CB-CB 4.41Å; D60-A78 WeakPolarHBondContact OD2-CB 3.26Å
61L92.3Very high87.6Confident54 Ų5480.4 Ų80.428%0.28339%0.387SS..Hα-helixtrans-64.4-36.9173.7-170.167.9000112.5V57 F58 A64 A65 F81 H82V57-L61 WeakPolarHBondContact O-CB 2.97Å; V57-L61 PolarHBondContact O-N 3.4Å; F58-L61 PolarHBondContact O-N 3.43Å; L61-A64 PolarHBondContact O-N 2.93Å; L61-A65 PolarHBondContact O-N 3.12Å; L61-F81 HydrophobicContact CD1-CB 4.19Å; L61-F81 HydrophobicContact CD1-CD1 3.71Å; L61-F81 HydrophobicContact CD1-CE1 4.5Å; L61-F81 HydrophobicContact CD1-CG 4.22Å; L61-H82 VanDerWaalsContact CD1-NE2 3.35Å; L61-H82 WeakPolarHBondContact CD1-NE2 3.27Å; L61-H82 PolarHBondContact O-NE2 3.29Å
62Y89.8Confident86.9Confident87 Ų8779.9 Ų79.934%0.34139%0.387SS..Hα-helixtrans-68.4-37.8176.7176.1-108.1000112.6F58 W59 D60 A65 R68F58-Y62 VanDerWaalsContact O-CB 3.24Å; F58-Y62 WeakPolarHBondContact O-CB 3.36Å; F58-Y62 PolarHBondContact O-N 3.17Å; W59-Y62 AromaticContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CE1 4.35Å; W59-Y62 HydrophobicContact CH2-CD1 4.21Å; W59-Y62 HydrophobicContact CH2-CE1 4.06Å; W59-Y62 AromaticContact CZ3-CD1 3.71Å; W59-Y62 HydrophobicContact CZ3-CD1 3.71Å; W59-Y62 AromaticContact CZ3-CE1 3.71Å; W59-Y62 HydrophobicContact CZ3-CE1 3.71Å; W59-Y62 PolarHBondContact O-N 3.23Å; D60-Y62 VanDerWaalsContact C-N 3.35Å; D60-Y62 PolarHBondContact O-N 3.45Å; Y62-A65 VanDerWaalsContact O-CB 3.27Å; Y62-A65 WeakPolarHBondContact O-CB 3.5Å; Y62-A65 PolarHBondContact O-N 2.84Å; Y62-R68 VanDerWaalsContact CZ-CZ 3.47Å; Y62-R68 WeakPolarHBondContact O-CD 3.3Å; Y62-R68 VanDerWaalsContact OH-CZ 3.27Å; Y62-R68 PolarHBondContact OH-NH1 3.32Å; Y62-R68 PolarHBondContact OH-NH2 2.73Å
63C90.9Very high86.4Confident4 Ų485.2 Ų85.23%0.02741%0.412CS..Hα-helixtrans-74-32.9174-85.80000113W59 D60 A65 R69 C72 H74W59-C63 WeakPolarHBondContact O-CB 3.4Å; W59-C63 PolarHBondContact O-N 3.01Å; D60-C63 PolarHBondContact O-N 3.46Å; C63-A65 PolarHBondContact O-N 3.28Å; C63-R69 VanDerWaalsContact O-CA 3.24Å; C63-R69 WeakPolarHBondContact O-CA 3.3Å; C63-R69 PolarHBondContact O-N 2.96Å; C63-C72 HydrophobicContact CB-CB 3.55Å; C63-C72 WeakPolarHBondContact CB-SG 3.34Å; C63-C72 WeakPolarHBondContact SG-CB 3.06Å; C63-C72 CovalentContact SG-SG 2.04Å; C63-C72 PolarHBondContact SG-SG 3.43Å; C63-H74 HydrophobicContact CB-CB 4.06Å
64A87.4Confident86.2Confident0 Ų085.8 Ų85.80%041%0.409CS..THydrogen-bonded Turntrans-72.9-6.2173.700000114.5D60 L61 H74 A78 H82D60-A64 VanDerWaalsContact O-CB 3.3Å; D60-A64 WeakPolarHBondContact O-CB 3.01Å; D60-A64 PolarHBondContact O-N 3.34Å; L61-A64 PolarHBondContact O-N 2.93Å; A64-H74 HydrophobicContact CB-CB 4.01Å; A64-A78 HydrophobicContact CB-CB 3.6Å; A64-H82 PolarHBondContact O-CD2 3.45Å
65A87.2Confident85.8Confident10 Ų1080.1 Ų80.18%0.08339%0.394CS..SBendtrans-58.6141.5179.600000111.5L61 Y62 C63 E67 R68 R69L61-A65 PolarHBondContact O-N 3.12Å; Y62-A65 VanDerWaalsContact O-CB 3.27Å; Y62-A65 WeakPolarHBondContact O-CB 3.5Å; Y62-A65 PolarHBondContact O-N 2.84Å; C63-A65 PolarHBondContact O-N 3.28Å; A65-E67 PolarHBondContact O-N 2.92Å; A65-R68 PolarHBondContact O-N 3.38Å; A65-R69 WeakPolarHBondContact O-CB 3.24Å; A65-R69 PolarHBondContact O-N 3.37Å
66P77.5Confident85.3Confident62 Ų6278 Ų7840%0.40340%0.401SS..THydrogen-bonded Turntrans-54.6-30.8-172.7-27.735.8000114.9R68P66-R68 VanDerWaalsContact C-N 3.31Å; P66-R68 PolarHBondContact O-N 3Å
67E80.8Confident85.1Confident153 Ų15382.2 Ų82.272%0.71541%0.414SS*.THydrogen-bonded Turntrans-80.4-9.8-177.9-47.475.3-164.800113.5A65A65-E67 PolarHBondContact O-N 2.92Å
68R78.5Confident84.8Confident108 Ų10879.3 Ų79.341%0.40840%0.397SS..THydrogen-bonded Turntrans-130.4-23.4-166.8-62.5172.6-173.4-98.36114Y62 A65 P66 D70 T71 C72Y62-R68 VanDerWaalsContact CZ-CZ 3.47Å; Y62-R68 WeakPolarHBondContact O-CD 3.3Å; Y62-R68 VanDerWaalsContact OH-CZ 3.27Å; Y62-R68 PolarHBondContact OH-NH1 3.32Å; Y62-R68 PolarHBondContact OH-NH2 2.73Å; A65-R68 PolarHBondContact O-N 3.38Å; P66-R68 VanDerWaalsContact C-N 3.31Å; P66-R68 PolarHBondContact O-N 3Å; R68-D70 PolarHBondContact O-N 2.92Å; R68-T71 PolarHBondContact O-N 3.02Å; R68-T71 PolarHBondContact O-OG1 3.34Å; R68-C72 PolarHBondContact O-N 2.04Å
69R74.8Confident84.4Confident72 Ų7278 Ų7827%0.27239%0.392SS..THydrogen-bonded Turntrans-58.7-20.7-17268.4-178.7-175.9-174.1-0.3115.7C63 A65 T71 H74 D83C63-R69 VanDerWaalsContact O-CA 3.24Å; C63-R69 WeakPolarHBondContact O-CA 3.3Å; C63-R69 PolarHBondContact O-N 2.96Å; A65-R69 WeakPolarHBondContact O-CB 3.24Å; A65-R69 PolarHBondContact O-N 3.37Å; R69-T71 VanDerWaalsContact C-N 3.26Å; R69-T71 PolarHBondContact O-N 3.05Å; R69-H74 PolarHBondContact O-CE1 3.37Å; R69-D83 IonicContact CZ-OD1 3.88Å; R69-D83 IonicContact NH1-OD1 2.77Å; R69-D83 PolarHBondContact NH1-OD1 3.05Å; R69-D83 IonicContact NH1-OD2 3.97Å
70D73.7Confident84.1Confident149 Ų14974 Ų7480%0.79738%0.384SS*.THydrogen-bonded Turntrans-80.2-7.5175.9-57-27.9000113R68R68-D70 PolarHBondContact O-N 2.92Å
71T77.7Confident83.8Confident131 Ų13177.9 Ų77.980%0.80440%0.399SS*.THydrogen-bonded Turntrans-123.1-15.8-174.864.70000115.1R68 R69R68-T71 PolarHBondContact O-N 3.02Å; R68-T71 PolarHBondContact O-OG1 3.34Å; R69-T71 VanDerWaalsContact C-N 3.26Å; R69-T71 PolarHBondContact O-N 3.05Å
72C78.3Confident83.5Confident36 Ų3677.5 Ų77.524%0.24340%0.395CS..SBendtrans-123.4136.3-179.5-1730000111.1C63 R68 H74C63-C72 HydrophobicContact CB-CB 3.55Å; C63-C72 WeakPolarHBondContact CB-SG 3.34Å; C63-C72 WeakPolarHBondContact SG-CB 3.06Å; C63-C72 CovalentContact SG-SG 2.04Å; C63-C72 PolarHBondContact SG-SG 3.43Å; R68-C72 PolarHBondContact O-N 2.04Å; C72-H74 PolarHBondContact O-ND1 3.4Å
73E79.2Confident83.2Confident188 Ų18876.1 Ų76.188%0.87939%0.394SS*.  trans-63.7134.7168.7-67.2-168.5154.800110.4
74H87.3Confident82.6Confident58 Ų5884.4 Ų84.427%0.26943%0.426SS..  trans-152.7157.9-174.959.6-82.2000111D60 C63 A64 R69 C72D60-H74 WeakPolarHBondContact OD1-CA 3.49Å; C63-H74 HydrophobicContact CB-CB 4.06Å; A64-H74 HydrophobicContact CB-CB 4.01Å; R69-H74 PolarHBondContact O-CE1 3.37Å; C72-H74 PolarHBondContact O-ND1 3.4Å
75S86.2Confident81.9Confident39 Ų3987.3 Ų87.327%0.27345%0.446SS..  trans-72.5147.6178.9-174.50000112.4D60 E77 A78 K79D60-S75 WeakPolarHBondContact OD1-CB 3.1Å; D60-S75 PolarHBondContact OD1-N 2.91Å; D60-S75 WeakPolarHBondContact OD2-CB 3.39Å; S75-E77 PolarHBondContact O-N 3.28Å; S75-E77 PolarHBondContact OG-N 3.48Å; S75-A78 PolarHBondContact O-N 2.95Å; S75-K79 PolarHBondContact O-N 3.33Å
76S83.9Confident80.8Confident97 Ų9789.6 Ų89.668%0.67847%0.465SS*.Hα-helixtrans-61.8-27.8169.449.80000112.8A80S76-A80 WeakPolarHBondContact O-CB 3.31Å; S76-A80 PolarHBondContact O-N 3.33Å
77E88.3Confident80Confident148 Ų14890.6 Ų90.669%0.69248%0.478SS*.Hα-helixtrans-70-46.1176.3-64.3-178.8167.700111.4S75 A80 F81S75-E77 PolarHBondContact O-N 3.28Å; S75-E77 PolarHBondContact OG-N 3.48Å; E77-A80 PolarHBondContact O-N 2.76Å; E77-F81 PolarHBondContact O-N 3.44Å
78A87.1Confident78.9Confident7 Ų787.2 Ų87.26%0.05848%0.477CS..Hα-helixtrans-64.9-39.2176.600000112.2D60 A64 S75 F81 H82D60-A78 HydrophobicContact CB-CB 4.41Å; D60-A78 WeakPolarHBondContact OD2-CB 3.26Å; A64-A78 HydrophobicContact CB-CB 3.6Å; S75-A78 PolarHBondContact O-N 2.95Å; A78-F81 PolarHBondContact O-N 3.35Å; A78-H82 PolarHBondContact O-N 2.89Å
79K85.9Confident77.2Confident74 Ų7484.5 Ų84.532%0.32248%0.477SS..Hα-helixtrans-61.1-46.7172.3-173.2179.1-178.9-630111.8S75 F81 H82 D83S75-K79 PolarHBondContact O-N 3.33Å; K79-F81 VanDerWaalsContact C-N 3.3Å; K79-F81 PolarHBondContact O-N 3.48Å; K79-H82 PolarHBondContact O-N 3.36Å; K79-D83 IonicContact NZ-OD1 3.91Å; K79-D83 IonicContact NZ-OD2 2.63Å; K79-D83 PolarHBondContact NZ-OD2 2.86Å; K79-D83 PolarHBondContact O-N 3.46Å
80A86.1Confident75.6Confident34 Ų3487 Ų8728%0.28150%0.503SS..Hα-helixtrans-61.1-38.3178.400000111.9S76 E77 H82 D83 Y84S76-A80 WeakPolarHBondContact O-CB 3.31Å; S76-A80 PolarHBondContact O-N 3.33Å; E77-A80 PolarHBondContact O-N 2.76Å; A80-H82 PolarHBondContact O-N 3.23Å; A80-D83 PolarHBondContact O-N 2.85Å; A80-Y84 HydrophobicContact CB-CD2 4.27Å; A80-Y84 HydrophobicContact CB-CE2 4.23Å; A80-Y84 WeakPolarHBondContact O-CB 3.39Å; A80-Y84 WeakPolarHBondContact O-CD2 3.48Å; A80-Y84 PolarHBondContact O-N 2.86Å
81F87.6Confident73.7Confident125 Ų12584.3 Ų84.355%0.54850%0.496SS..Hα-helixtrans-60.1-45.3177.6-170.2-87.3000112.8L61 E77 A78 K79 S85L61-F81 HydrophobicContact CD1-CB 4.19Å; L61-F81 HydrophobicContact CD1-CD1 3.71Å; L61-F81 HydrophobicContact CD1-CE1 4.5Å; L61-F81 HydrophobicContact CD1-CG 4.22Å; E77-F81 PolarHBondContact O-N 3.44Å; A78-F81 PolarHBondContact O-N 3.35Å; K79-F81 VanDerWaalsContact C-N 3.3Å; K79-F81 PolarHBondContact O-N 3.48Å; F81-S85 VanDerWaalsContact O-CB 3.31Å; F81-S85 WeakPolarHBondContact O-CB 3.35Å; F81-S85 PolarHBondContact O-N 3.03Å; F81-S85 PolarHBondContact O-OG 2.96Å
82H86.2Confident72.3Confident45 Ų4584.3 Ų84.321%0.20850%0.498CS..Hα-helixtrans-66.6-46.3173.9-79.5-65.4000112.4L61 A64 A78 K79 A80 Y84 S85 A86L61-H82 VanDerWaalsContact CD1-NE2 3.35Å; L61-H82 WeakPolarHBondContact CD1-NE2 3.27Å; L61-H82 PolarHBondContact O-NE2 3.29Å; A64-H82 PolarHBondContact O-CD2 3.45Å; A78-H82 PolarHBondContact O-N 2.89Å; K79-H82 PolarHBondContact O-N 3.36Å; A80-H82 PolarHBondContact O-N 3.23Å; H82-Y84 VanDerWaalsContact C-N 3.33Å; H82-Y84 PolarHBondContact O-N 3.28Å; H82-S85 PolarHBondContact O-N 3.33Å; H82-A86 WeakPolarHBondContact O-CB 3.24Å; H82-A86 PolarHBondContact O-N 2.63Å
83D81.7Confident70.8Confident59 Ų5988.5 Ų88.532%0.31652%0.522SS..Hα-helixtrans-62.4-38.7-179.6-70.4-25.8000111.5R69 K79 A80 A87R69-D83 IonicContact CZ-OD1 3.88Å; R69-D83 IonicContact NH1-OD1 2.77Å; R69-D83 PolarHBondContact NH1-OD1 3.05Å; R69-D83 IonicContact NH1-OD2 3.97Å; K79-D83 IonicContact NZ-OD1 3.91Å; K79-D83 IonicContact NZ-OD2 2.63Å; K79-D83 PolarHBondContact NZ-OD2 2.86Å; K79-D83 PolarHBondContact O-N 3.46Å; A80-D83 PolarHBondContact O-N 2.85Å; D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.27Å; D83-A87 PolarHBondContact O-N 3.2Å
84Y78.6Confident69.1Low177 Ų17786.1 Ų86.169%0.69452%0.515SS*.Hα-helixtrans-70.9-37.7174.4-78.2-58.2000112.9A80 H82 A87 A88A80-Y84 HydrophobicContact CB-CD2 4.27Å; A80-Y84 HydrophobicContact CB-CE2 4.23Å; A80-Y84 WeakPolarHBondContact O-CB 3.39Å; A80-Y84 WeakPolarHBondContact O-CD2 3.48Å; A80-Y84 PolarHBondContact O-N 2.86Å; H82-Y84 VanDerWaalsContact C-N 3.33Å; H82-Y84 PolarHBondContact O-N 3.28Å; Y84-A87 PolarHBondContact O-N 2.86Å; Y84-A88 VanDerWaalsContact O-CB 3.27Å; Y84-A88 WeakPolarHBondContact O-CB 3.47Å; Y84-A88 PolarHBondContact O-N 3.35Å
85S73.5Confident67.2Low61 Ų6186.6 Ų86.643%0.42754%0.535SS..Hα-helixtrans-68.5-36.4176.1-67.80000111.7F81 H82 A88 A89F81-S85 VanDerWaalsContact O-CB 3.31Å; F81-S85 WeakPolarHBondContact O-CB 3.35Å; F81-S85 PolarHBondContact O-N 3.03Å; F81-S85 PolarHBondContact O-OG 2.96Å; H82-S85 PolarHBondContact O-N 3.33Å; S85-A88 PolarHBondContact O-N 3.31Å; S85-A89 PolarHBondContact O-N 3.24Å
86A64.6Low65.2Low59 Ų5992.4 Ų92.449%0.48856%0.564SS.*Hα-helixtrans-68.5-38172.100000112.3H82 A88 A89H82-A86 WeakPolarHBondContact O-CB 3.24Å; H82-A86 PolarHBondContact O-N 2.63Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A89 PolarHBondContact O-N 2.77Å
87A59.8Low63.3Low82 Ų8294.6 Ų94.668%0.67857%0.566SS**Hα-helixtrans-72.7-23.8174.500000113.7D83 Y84D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.27Å; D83-A87 PolarHBondContact O-N 3.2Å; Y84-A87 PolarHBondContact O-N 2.86Å
88A57Low61Low83 Ų8392.5 Ų92.569%0.68657%0.565SS**Hα-helixtrans-85.4-12.4174.700000113.5Y84 S85 A86Y84-A88 VanDerWaalsContact O-CB 3.27Å; Y84-A88 WeakPolarHBondContact O-CB 3.47Å; Y84-A88 PolarHBondContact O-N 3.35Å; S85-A88 PolarHBondContact O-N 3.31Å; A86-A88 VanDerWaalsContact C-N 3.34Å
89A43.5Very low59.1Low50 Ų5098.6 Ų98.641%0.41360%0.604SS.*SBendtrans-71.6129.9167.900000109.4S85 A86 S91S85-A89 PolarHBondContact O-N 3.24Å; A86-A89 PolarHBondContact O-N 2.77Å; A89-S91 PolarHBondContact O-N 3.43Å
90P41Very low57.1Low124 Ų124101.7 Ų101.781%0.80562%0.624SS**  trans-66100.2172.927.2-32.8000108.9
91S35.3Very low55Low93 Ų93106.8 Ų106.865%0.6565%0.647SS**  trans-61.2130.1177.4-79.10000109.7A89 V93A89-S91 PolarHBondContact O-N 3.43Å; S91-V93 PolarHBondContact O-N 2.95Å
92P46.6Very low52.6Low132 Ų132104.3 Ų104.386%0.85766%0.657SS**SBendtrans-73.816.7-178.831.6-36.5000113.6
93V48.2Very low50.6Low123 Ų123110.8 Ų110.875%0.74569%0.689SS**  trans-111.762.8-176-170.20000110.1S91S91-V93 PolarHBondContact O-N 2.95Å
94L43Very low48.6Very low138 Ų138114 Ų11472%0.72371%0.713SS**  trans-162.6107.4135.3-142.267.8000110.5I97L94-I97 HydrophobicContact CD2-CD1 4.47Å
95G47.9Very low46.9Very low68 Ų68108.8 Ų108.870%0.70171%0.714SS**  trans-69.3148160.200000110.2
96N44Very low45.3Very low162 Ų162108.8 Ų108.887%0.86672%0.723SS**  trans8070160-147.868.9000118.4
97I43.2Very low44.4Very low143 Ų143112.1 Ų112.173%0.73374%0.74SS**  trans-128.2128.5151.8-59.8179.8000108L94L94-I97 HydrophobicContact CD2-CD1 4.47Å
98P39.3Very low44Very low104 Ų104115 Ų11568%0.67574%0.742SS**  trans-75.1154.4-178.530.8-35.3000112.7N100P98-N100 PolarHBondContact O-N 3.04Å; P98-N100 VanDerWaalsContact O-N 3.17Å
99P47Very low43.4Very low134 Ų134115.7 Ų115.787%0.8774%0.74SS**SBendtrans-87.188.5-171.734.5-34.9000112.6
100N45.4Very low43.4Very low139 Ų139120.2 Ų120.274%0.74377%0.765SS**  trans-153.1166153.9-152.845.2000111.1P98P98-N100 PolarHBondContact O-N 3.04Å; P98-N100 VanDerWaalsContact O-N 3.17Å
101D41.3Very low43.8Very low141 Ų141116.3 Ų116.375%0.75475%0.747SS**SBendtrans79.877.5170.6-51.9-31.5000117.9
102G37Very low44.4Very low74 Ų74120.1 Ų120.176%0.76375%0.752SS**  76.798.3123.500000119.4P104G102-P104 WeakPolarHBondContact O-CD 3.29Å
103M43.8Very low44Very low181 Ų181122.6 Ų122.689%0.89275%0.75SS**  trans-65.3130.7159.8-60.9171.374.600111.4
104P39.9Very low43.8Very low126 Ų126124 Ų12482%0.81875%0.748SS**  trans-88.395.3148.932.4-25.6000108.1G102 G106G102-P104 WeakPolarHBondContact O-CD 3.29Å; P104-G106 PolarHBondContact O-N 3.48Å
105G43.7Very low43.6Very low68 Ų68122.2 Ų122.270%0.70175%0.745SS**  trans-65.993.5170.300000110.5
106G39.4Very low43.5Very low61 Ų61127.4 Ų127.463%0.62975%0.749SS**PPolyproline II helixtrans-65.8135172.800000110.8P104 I108P104-G106 PolarHBondContact O-N 3.48Å; G106-I108 PolarHBondContact O-N 3.35Å
107P45.4Very low43.6Very low128 Ų128126.8 Ų126.883%0.83174%0.742SS**PPolyproline II helixtrans-66.8126.8-179.526.5-33.4000110.8
108I53Low43.1Very low142 Ų142125.1 Ų125.173%0.72874%0.743SS**PPolyproline II helixtrans-61124.9171.4-57.6171000107.8G106G106-I108 PolarHBondContact O-N 3.35Å
109P43.8Very low43.1Very low99 Ų99125.2 Ų125.264%0.64374%0.744SS**PPolyproline II helixtrans-64.9132.8178.125.5-33000110.2G111P109-G111 VanDerWaalsContact C-N 3.28Å; P109-G111 PolarHBondContact O-N 3.02Å
110P44Very low43Very low145 Ų145130.6 Ų130.694%0.94275%0.747SS**THydrogen-bonded Turntrans-73.182.8-179.330.2-34.6000110.4
111G48.9Very low42.4Very low41 Ų41134 Ų13442%0.42375%0.751SS.*THydrogen-bonded Turntrans-170.5-10.9-177.600000115.4P109 F113 Q114P109-G111 VanDerWaalsContact C-N 3.28Å; P109-G111 PolarHBondContact O-N 3.02Å; G111-F113 PolarHBondContact O-N 2.95Å; G111-F113 VanDerWaalsContact O-N 3.16Å; G111-Q114 PolarHBondContact O-N 3.37Å
112F47.4Very low42.3Very low173 Ų173131.8 Ų131.876%0.75975%0.752SS**THydrogen-bonded Turntrans-64.4-18.5-176.8-167.9-102.6000114.8
113F38.3Very low42.7Very low185 Ų185132.3 Ų132.381%0.81176%0.758SS**THydrogen-bonded Turntrans-116.659.7173-72.6-83.6000111.5G111G111-F113 PolarHBondContact O-N 2.95Å; G111-F113 VanDerWaalsContact O-N 3.16Å
114Q43.6Very low42.3Very low151 Ų151127 Ų12771%0.70675%0.749SS**  trans-74.2141.4151.3-66.7-61.3-69.400108.3G111 F116G111-Q114 PolarHBondContact O-N 3.37Å; Q114-F116 PolarHBondContact O-N 2.82Å
115P39.3Very low42.2Very low101 Ų101127.4 Ų127.466%0.65675%0.751SS**  trans-58.8136.5170.625.9-32.7000109.1M117P115-M117 PolarHBondContact O-N 3.4Å
116F46.3Very low42.3Very low178 Ų178134.9 Ų134.978%0.78176%0.758SS**SBendtrans-7340.4-177.8-162.8-100000112.6Q114Q114-F116 PolarHBondContact O-N 2.82Å
117M46.5Very low42.3Very low149 Ų149137 Ų13773%0.73476%0.762SS**  trans-144.465.6-172.5-78.8-74.915100108.3P115 P119P115-M117 PolarHBondContact O-N 3.4Å; M117-P119 WeakPolarHBondContact O-CD 3.32Å
118S31.6Very low42.2Very low107 Ų107136.9 Ų136.975%0.74876%0.76SS**  trans-73.2120.8154.3-71.90000107.4R120S118-R120 PolarHBondContact O-N 3.23Å; S118-R120 VanDerWaalsContact O-N 3.08Å
119P39.5Very low41.8Very low107 Ų107137.6 Ų137.670%0.69576%0.764SS**  trans-59.5118.2170.2-17.630.4000107.8M117 Y121M117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-Y121 HydrophobicContact CB-CD2 4.24Å; P119-Y121 PolarHBondContact O-N 3.43Å
120R44.1Very low41.6Very low247 Ų247144.5 Ų144.593%0.93278%0.777SS**  trans-73.178168.3-69.9-170.8-175-108.14.3107.6S118S118-R120 PolarHBondContact O-N 3.23Å; S118-R120 VanDerWaalsContact O-N 3.08Å
121Y33.1Very low41.1Very low211 Ų211146.5 Ų146.583%0.82778%0.776SS**  trans-56.3149.6-178.2-127.3-88.6000111P119P119-Y121 HydrophobicContact CB-CD2 4.24Å; P119-Y121 PolarHBondContact O-N 3.43Å
122A40.2Very low40.5Very low93 Ų93147.9 Ų147.977%0.76979%0.791SS**SBendtrans-60.4146.4176.700000112.4
123G43.8Very low40.7Very low86 Ų86147.7 Ų147.789%0.88780%0.797SS**  trans92.390.4161.600000116.3
124G37.1Very low40.7Very low68 Ų68148 Ų14870%0.70180%0.802SS**  trans-163.3132.8165.100000111.2
125P36.5Very low40.5Very low135 Ų135146.4 Ų146.488%0.87780%0.804SS**PPolyproline II helixtrans-75.2130.1-174.929.8-33.7000111.7
126R46.2Very low40.8Very low225 Ų225148 Ų14885%0.84981%0.814SS**PPolyproline II helixtrans-77.7137179.8-169.5175.7-179.9167.8-0.1110.7
127P39.1Very low40.7Very low107 Ų107143.4 Ų143.470%0.69582%0.818SS**PPolyproline II helixtrans-69.4141.2174.928.9-34.5000110.9
128P43.9Very low40.1Very low124 Ų124140.1 Ų140.181%0.80582%0.821SS**PPolyproline II helixtrans-77.5134.9179.430.6-33.5000111.7
129I44.1Very low40.8Very low157 Ų157141.9 Ų141.981%0.80583%0.827SS**PPolyproline II helixtrans-68.8130.7172-67.3179.5000109.1
130R40Very low40.8Very low245 Ų245143.1 Ų143.193%0.92584%0.836SS**PPolyproline II helixtrans-78.1120.8173.3-77.5-171.8173.7-149.50.1110.6
131M34.1Very low40.4Very low187 Ų187134.9 Ų134.992%0.92183%0.827SS**PPolyproline II helixtrans-102.2157.7158-157.862.2171.200109
132G36.7Very low40.6Very low70 Ų70131.7 Ų131.772%0.72283%0.83SS**SBendtrans-68.3161.5-161.800000118
133N49.7Very low40.4Very low168 Ų168135.8 Ų135.890%0.89883%0.833SS**  trans62.485.4170.5-82.316.2000119.4
134Q40.2Very low40.7Very low193 Ų193137 Ų13790%0.90283%0.826SS**  trans-153.5148.7143.4-107.4-176.6-58.300111.5
135P38.7Very low40.8Very low116 Ų116141.4 Ų141.475%0.75383%0.832SS**  trans-80.4163.2-178.134-35000112.9
136P44.3Very low41Very low134 Ų134142.6 Ų142.687%0.8783%0.83SS**  trans-92.2135.9-16334.4-34.4000115
137G44.4Very low41.3Very low83 Ų83137.1 Ų137.186%0.85682%0.824SS**  trans154.1121.9158.900000115.2
138G35.5Very low41Very low79 Ų79139.6 Ų139.681%0.81483%0.831SS**  trans136.2104.1165.400000115.6
139V45.2Very low40.6Very low144 Ų144138.5 Ų138.587%0.87383%0.826SS**  trans-110.1136.1162.1-77.10000109.3
140P39.9Very low40.4Very low134 Ų134140 Ų14087%0.8783%0.833SS**  -144.5167.912235.8-20.6000111.6
141G34.8Very low40.7Very low73 Ų73134.9 Ų134.975%0.75382%0.823SS**  cis158.4139.34.500000108.1
142T37.2Very low41.2Very low145 Ų145131.2 Ų131.289%0.8981%0.814SS**  trans-87.6166.8-167.643.40000115.6
143Q36Very low41.7Very low179 Ų179133.5 Ų133.584%0.83681%0.814SS**  trans-28.3155.5172.7-73.8-94.7-22.100119
144P51.9Low41.2Very low112 Ų112137.4 Ų137.473%0.72782%0.816SS**  trans-87.6157.2-170.836.7-36.3000114.9
145L37.8Very low41.3Very low160 Ų160136.8 Ų136.884%0.83881%0.813SS**  trans-120.7127.6171.7-71.1171000111.4
146L41.4Very low41.2Very low160 Ų160140.8 Ų140.884%0.83882%0.821SS**  trans33.3141.3148.2-61.8167.2000122.4
147P52.1Low40.7Very low110 Ų110137.9 Ų137.971%0.71482%0.816SS**  trans-93.8179.3176.339.7-36.6000114.5
148N32.4Very low40.7Very low159 Ų159143.1 Ų143.185%0.8582%0.818SS**  trans78141.3-177.5-73.99.3000115
149S36Very low41.4Very low100 Ų100144.8 Ų144.870%0.69981%0.814SS**  cis-166160.77.135.60000113.1
150M41Very low41.1Very low190 Ų190144.1 Ų144.194%0.93681%0.806SS**  trans75.6138.1157.7-76.2174.316900120.7
151D45.1Very low41.2Very low136 Ų136145.9 Ų145.973%0.72781%0.805SS**  trans-86.6144.8-179.7159.543000112.3T153D151-T153 PolarHBondContact OD1-N 3.19Å
152P45.8Very low41.4Very low111 Ų111146.3 Ų146.372%0.72181%0.809SS**  trans-134.595.615136.2-20.4000114.1R154P152-R154 PolarHBondContact O-N 2.89Å
153T45.8Very low41.8Very low118 Ų118143.1 Ų143.172%0.72481%0.805SS**  trans10.2103135.249.10000118.2D151D151-T153 PolarHBondContact OD1-N 3.19Å
154R40Very low41.8Very low250 Ų250139.9 Ų139.994%0.94380%0.802SS**  trans-159132144.2-127.9175.5179.8-178.2-0.9113.1P152P152-R154 PolarHBondContact O-N 2.89Å
155Q42.7Very low41.2Very low180 Ų180142.8 Ų142.884%0.84181%0.808SS**  trans-84.2178.1174-66.7-171.35.700112.6
156Q36Very low41.5Very low199 Ų199142.3 Ų142.393%0.9380%0.802SS**  trans90.2125.3171.3-53.9-178.9-4.300114.7
157G33.3Very low41.3Very low73 Ų73144.6 Ų144.675%0.75380%0.799SS**  cis-177.6165.2-4.600000112.6
158H45.3Very low40.5Very low193 Ų193146.8 Ų146.889%0.89480%0.802SS**  trans-106.8147.5174.7-72.9-83.6000111.9
159P50.7Low41.3Very low115 Ų115146 Ų14675%0.74780%0.797SS**  trans-120.1128.7130.413.36.1000109
160N38.1Very low42Very low129 Ų129145.8 Ų145.869%0.6979%0.794SS**  61.2125.661.9-150.348000111.3
161M43Very low42.8Very low172 Ų172142.2 Ų142.285%0.84778%0.784SS**  cis-161.4156.615.6-154.3165.8-142.400110.1
162G37.8Very low43.2Very low82 Ų82147.7 Ų147.785%0.84580%0.795SS**  trans160.174.2169.800000115.6
163G45Very low42.7Very low78 Ų78145.8 Ų145.880%0.80480%0.796SS**  trans-114.5148.6-176.900000114.9
164S37Very low42.4Very low111 Ų111149 Ų14978%0.77681%0.805SS**  trans175.1141.1157.953.70000106.9
165M39.7Very low42.4Very low173 Ų173140.2 Ų140.285%0.85279%0.792SS**  cis-139.4153.97.2-61.6-178-175.200111.7
166Q42.9Very low43.1Very low150 Ų150137.5 Ų137.570%0.70179%0.79SS**  trans1121.5134-58.1-174.24.400115.8
167R36.9Very low43.2Very low207 Ų207137.3 Ų137.378%0.78179%0.791SS**  173.6165.569.8-96.5133.2-160.9-96.83106.9
168M36.9Very low43.4Very low157 Ų157137 Ų13777%0.77379%0.789SS**  cis-169.5159.2-16.1173.4166.717500107.3
169N47.5Very low43.7Very low141 Ų141134.5 Ų134.575%0.75479%0.789SS**  trans-125.5131.8174.2-176.812.6000109.6
170P51.7Low42.9Very low97 Ų97132.6 Ų132.663%0.6379%0.79SS**  -151.1176128.241.2-25.7000114.1
171P58Low43.4Very low114 Ų114131.5 Ų131.574%0.7479%0.791SS**  cis-137.6173.3-48.239.9-24.7000113.3
172R53Low43.2Very low252 Ų252132.1 Ų132.195%0.95179%0.791SS**  trans-84.3126.7163.2-170.1-179.7-172.9119.9-4.8109.4
173G36.4Very low42.8Very low71 Ų71134.6 Ų134.673%0.73279%0.785SS**  trans-110.3105.1-176.700000114.8
174M38.1Very low42.4Very low185 Ų185141.3 Ų141.391%0.91179%0.788SS**  trans25.7121.4141.9-68165.470.400120.8
175G40.5Very low42.4Very low65 Ų65139.5 Ų139.567%0.6779%0.786SS**  trans-85.7-163.1132.300000109.9
176P56.7Low42.3Very low124 Ų124137.5 Ų137.581%0.80579%0.789SS**  cis-126.1175.9-4.541.9-28.3000113.2
177M39.7Very low42.2Very low194 Ų194133.5 Ų133.596%0.95679%0.788SS**  trans-169.5136152.2-113.5177.7-107.800111.9
178G36.5Very low42.3Very low68 Ų68133 Ų13370%0.70180%0.797SS**  trans-114-154.2158.200000109
179P51.9Low43.4Very low139 Ų139136.8 Ų136.890%0.90380%0.803SS**  cis-123.9169.7-18.839.5-25.5000113
180G34.7Very low43.4Very low75 Ų75135.4 Ų135.477%0.77380%0.802SS**  trans-175.1154.1170.100000114.9
181P48.2Very low43.4Very low107 Ų107136.2 Ų136.270%0.69581%0.807SS**  trans-126.4-175.3-157.440.6-23.7000116.6
182Q37.4Very low43.2Very low185 Ų185136.3 Ų136.386%0.86481%0.808SS**  trans75.7151.7165.2-60148.2-24.400117
183N31.1Very low42.6Very low134 Ų134132.5 Ų132.572%0.71781%0.806SS**  cis-169.6171.9-24.1-178.728.8000107.9
184Y35.3Very low42.6Very low219 Ų219133.9 Ų133.986%0.85981%0.805SS**  trans107.5121.4163.4-76.9-88.3000119.1
185G38.2Very low42.6Very low72 Ų72133.2 Ų133.274%0.74280%0.804SS**  trans119.779.2137.500000118.3
186S37.8Very low42.3Very low131 Ų131133.7 Ų133.792%0.91681%0.808SS**  trans-47.8144.6151.4-45.70000109.9
187G39.8Very low41.8Very low66 Ų66134.2 Ų134.268%0.6881%0.812SS**  cis123.6164.54200000108.5
188M39.8Very low41.6Very low197 Ų197130 Ų13097%0.9781%0.808SS**  trans73.3133.5173.9-53.3-64.1-177.600119.1
189R58.5Low41.9Very low236 Ų236135 Ų13589%0.89182%0.815SS**  trans-111.7134.2169.5172-167.7-176.1-126.84.9108.5
190P48.9Very low41.4Very low112 Ų112134.7 Ų134.773%0.72781%0.813SS**  trans-151.1-166135.438.3-18.6000112.7
191P51.9Low41.5Very low115 Ų115134.3 Ų134.375%0.74781%0.809SS**  -125.4-177.2-73.840.5-24.6000113
192P52.3Low41.3Very low116 Ų116137.2 Ų137.275%0.75382%0.817SS**  trans-103.4161.6-172.638-33.2000117.2
193N41.6Very low41.2Very low171 Ų171135.4 Ų135.491%0.91481%0.814SS**  trans70.3125.4162.3-9724.5000121.7
194S35.2Very low41.7Very low101 Ų101137.6 Ų137.671%0.70682%0.821SS**  trans-170.8114.7158.1169.90000114.1
195L38Very low41.8Very low171 Ų171130.4 Ų130.490%0.89581%0.814SS**  trans41.1140.9151.3-61.6104.3000123.8
196G34.2Very low41.9Very low74 Ų74133.6 Ų133.676%0.76382%0.822SS**  trans-90.4-150.7169.200000113.7
197P47.6Very low41.9Very low135 Ų135130.9 Ų130.988%0.87781%0.814SS**  cis-136.31656.442.4-25.9000116.9
198A34.9Very low42.3Very low105 Ų105133.3 Ų133.387%0.86883%0.828SS**  trans-167138.6153.900000113.1
199M41.8Very low42Very low173 Ų173127.5 Ų127.585%0.85282%0.819SS**  trans-145.8143.4169.4-103.3-109.9-16900105.9
200P42Very low41.2Very low133 Ų133127.4 Ų127.486%0.86482%0.819SS**  -148.316272.138.7-20.5000116.4
201G37Very low41.1Very low67 Ų67128.2 Ų128.269%0.69182%0.824SS**  trans157.3106.1168.400000113
202I44.6Very low40.4Very low169 Ų169134.4 Ų134.487%0.86783%0.833SS**  trans-96.9126.9-171.9-63.7153.8000110.8
203N34.8Very low40.1Very low147 Ų147134.7 Ų134.779%0.78683%0.834SS**  trans-155.4152.5136.5-145.8-12.1000113.3
204M41.2Very low40Very low179 Ų179132.9 Ų132.988%0.88283%0.825SS**  trans-60.8148.6-163-59.2165.7-17800117.2
205G36.5Very low40.3Very low68 Ų68133.2 Ų133.270%0.70182%0.824SS**  trans152.594.8161.500000114.8G207G205-G207 PolarHBondContact O-N 3.44Å; G205-G207 VanDerWaalsContact O-N 3.1Å
206P41.2Very low40.2Very low139 Ų139132.9 Ų132.990%0.90382%0.824SS**  trans-76.1101.5-177.929.4-33.3000113.4
207G38.8Very low40.1Very low74 Ų74134.9 Ų134.976%0.76383%0.826SS**  51.9112.2126.800000120.2G205G205-G207 PolarHBondContact O-N 3.44Å; G205-G207 VanDerWaalsContact O-N 3.1Å
208A46.8Very low39.8Very low117 Ų117132.9 Ų132.997%0.96782%0.821SS**  trans-68.8137.2161.600000112.2
209G33.9Very low39.8Very low76 Ų76135.8 Ų135.878%0.78482%0.821SS**  trans-140.494.4-179.100000113.3
210R41.4Very low39.5Very low234 Ų234133 Ų13388%0.88382%0.819SS**  trans-23.6133.9176.6-58.7168.1-178.4-83.4-3117.8
211P48Very low39.4Very low129 Ų129132.7 Ų132.784%0.83881%0.809SS**PPolyproline II helixtrans-82.7152.2164.734.3-33.2000112.6
212W36Very low39.5Very low245 Ų245135.2 Ų135.293%0.92881%0.813SS**PPolyproline II helixtrans-74.2153.6171.8-73.483.8000111.6N214W212-N214 PolarHBondContact O-N 3.39Å
213P46.9Very low38.8Very low121 Ų121137.2 Ų137.279%0.78681%0.811SS**PPolyproline II helixtrans-75.2117-173.429.4-34.2000112.5
214N39.8Very low38.8Very low134 Ų134135.3 Ų135.372%0.71781%0.809SS**PPolyproline II helixtrans-88.3131.7168.6-173.270.6000109.9W212W212-N214 PolarHBondContact O-N 3.39Å
215P41.2Very low38.5Very low108 Ų108132.1 Ų132.170%0.70181%0.805SS**PPolyproline II helixtrans-71.8131.7175.128.5-32.5000111.2S217P215-S217 PolarHBondContact O-N 3.46Å
216N34.6Very low38.5Very low164 Ų164134.8 Ų134.888%0.87781%0.813SS**PPolyproline II helixtrans-67.6119.5-179.2-80.9-16.9000112.5
217S33.4Very low38.1Very low116 Ų116133.2 Ų133.281%0.81181%0.805SS**  trans-10893.7154.635.90000109.2P215 N219P215-S217 PolarHBondContact O-N 3.46Å; S217-N219 PolarHBondContact O-N 3.15Å
218A41.2Very low38.4Very low93 Ų93136 Ų13677%0.76981%0.81SS**  trans-76.7107.417500000110.2
219N34.4Very low37.9Very low165 Ų165134.2 Ų134.288%0.88280%0.802SS**  trans-16381.1159.5-96.2-28.6000109.3S217S217-N219 PolarHBondContact O-N 3.15Å
220S35.6Very low38.4Very low115 Ų115137.2 Ų137.280%0.80481%0.806SS**  trans-111.2118165.2-174.90000108.2
221I40.6Very low38.1Very low127 Ų127136.9 Ų136.965%0.65181%0.806SS**  trans-90.9116.3175.4-61.3171.8000107Y223I221-Y223 HydrophobicContact CG2-CD2 4.23Å; I221-Y223 HydrophobicContact CG2-CE2 4.1Å; I221-Y223 PolarHBondContact O-N 3.48Å
222P38.8Very low37.9Very low119 Ų119136.9 Ų136.977%0.77380%0.803SS**  trans-77.5103.2176.330.7-32.1000109.7S224P222-S224 PolarHBondContact O-N 2.88Å
223Y30.7Very low38.1Very low211 Ų211128 Ų12883%0.82779%0.789SS**  trans-74.5113.2166.2-88.9-82.2000110.3I221I221-Y223 HydrophobicContact CG2-CD2 4.23Å; I221-Y223 HydrophobicContact CG2-CE2 4.1Å; I221-Y223 PolarHBondContact O-N 3.48Å
224S33.2Very low38.1Very low107 Ų107128.4 Ų128.475%0.74879%0.791SS**  trans16.8118.1159.1-560000119.6P222P222-S224 PolarHBondContact O-N 2.88Å
225S36.1Very low38.6Very low113 Ų113128.4 Ų128.479%0.7980%0.798SS**PPolyproline II helixtrans-54.2136.4161.651.60000114.2
226S36.7Very low38.6Very low124 Ų124127.3 Ų127.387%0.86781%0.806SS**PPolyproline II helixtrans-95.2125.1154.5-67.80000109.6
227S33.2Very low38.9Very low106 Ų106123.3 Ų123.374%0.74180%0.804SS**PPolyproline II helixtrans-70.7154.8-177.7-60.50000113.3G229S227-G229 PolarHBondContact O-N 3.05Å
228P44.7Very low39.8Very low133 Ų133122.2 Ų122.286%0.86481%0.811SS**PPolyproline II helixtrans-77.9121.3-175.830.7-34000112.2
229G36Very low40.3Very low78 Ų78120.7 Ų120.780%0.80481%0.805SS**  trans-111.7113.1176.100000112.2S227 Y231S227-G229 PolarHBondContact O-N 3.05Å; G229-Y231 PolarHBondContact O-N 2.97Å
230T44.3Very low41.2Very low140 Ų140118.8 Ų118.886%0.85980%0.801SS**  trans-68.3117.8174.2-58.40000111.1
231Y34Very low41.9Very low226 Ų226119.8 Ų119.889%0.88681%0.805SS**  trans-140133.7161-155.9-96.9000111G229G229-Y231 PolarHBondContact O-N 2.97Å
232V45.3Very low42.4Very low129 Ų129117.4 Ų117.478%0.78281%0.811SS**  trans-94.7128.8-173.51750000109.6
233G39.2Very low42.6Very low60 Ų60117.4 Ų117.462%0.61981%0.81SS**  trans-139.5159.1177.900000111.4
234P46.4Very low43.4Very low128 Ų128113.4 Ų113.483%0.83181%0.81SS**  trans-76.6160.3-147.528.4-36.4000116.2
235P52Low44.3Very low134 Ų134115.9 Ų115.987%0.8781%0.813SS**  trans-88.8144.2-167.934.8-35.5000114.3
236G40.9Very low44.9Very low85 Ų85117.6 Ų117.688%0.87681%0.81SS**  trans134.9129.9157.400000114.9
237G40.2Very low46Very low81 Ų81117.1 Ų117.184%0.83580%0.804SS**  trans125.274170.800000114.2G239G237-G239 PolarHBondContact O-N 2.79Å
238G52.5Low46.4Very low93 Ų93116.9 Ų116.996%0.95980%0.802SS**  trans-73.4121.5171.600000111.6
239G52.2Low46.4Very low61 Ų61116.5 Ų116.563%0.62980%0.8SS**  trans-129.1153.5170.800000111G237G237-G239 PolarHBondContact O-N 2.79Å
240P51.9Low46.7Very low124 Ų124116.9 Ų116.981%0.80580%0.795SS**  trans-68.7149-17528.5-34.9000112.4
241P50.8Low46.9Very low137 Ų137118 Ų11889%0.8980%0.796SS**SBendtrans-79.7130.9-17532-33.9000111.5
242G50.9Low47.1Very low76 Ų76112.3 Ų112.378%0.78479%0.789SS**  trans148.1-4.3160.200000119.6
243T44.3Very low47.4Very low120 Ų120112.2 Ų112.274%0.73679%0.789SS**  trans-122.8131.6178.452.80000112.3I245T243-I245 PolarHBondContact O-N 3.48Å
244P46.1Very low47.5Very low127 Ų127116.9 Ų116.983%0.82580%0.8SS**  trans-72.1115.6170.329.1-31.3000109M246P244-M246 PolarHBondContact O-N 2.88Å
245I51.7Low47.3Very low159 Ų159115.2 Ų115.282%0.81579%0.791SS**  trans-72.2101174.6-59174.5000108T243T243-I245 PolarHBondContact O-N 3.48Å
246M50.6Low47.3Very low149 Ų149114.6 Ų114.673%0.73479%0.79SS**PPolyproline II helixtrans-69.6131.3163.7-170.7-178.176.200108P244 S248P244-M246 PolarHBondContact O-N 2.88Å; M246-S248 PolarHBondContact O-N 2.99Å; M246-S248 VanDerWaalsContact O-N 3.15Å
247P59.1Low47.7Very low113 Ų113116 Ų11673%0.73478%0.777SS**PPolyproline II helixtrans-66.8116.1174.227.1-32.3000109.1
248S40.4Very low48.1Very low101 Ų101119.5 Ų119.571%0.70678%0.777SS**PPolyproline II helixtrans-58.4139.4166.9-61.30000109.4M246 A250M246-S248 PolarHBondContact O-N 2.99Å; M246-S248 VanDerWaalsContact O-N 3.15Å; S248-A250 PolarHBondContact O-N 2.9Å
249P46.1Very low48Very low126 Ų126122.4 Ų122.482%0.81877%0.769SS**  trans-61.4109169-18.331.3000108.7
250A42.5Very low47.5Very low86 Ų86130.1 Ų130.171%0.71178%0.781SS**  trans-76.9137.2169.100000108.7S248 S252S248-A250 PolarHBondContact O-N 2.9Å; A250-S252 PolarHBondContact O-N 3.17Å
251D47.2Very low47.2Very low162 Ų162129.5 Ų129.587%0.86678%0.775SS**  trans-52.4130.3-179.8-58.2-77.6000111.8
252S39Very low46.8Very low107 Ų107131.7 Ų131.775%0.74878%0.775SS**  trans-148.687.6173.5-77.80000110.3A250 N254A250-S252 PolarHBondContact O-N 3.17Å; S252-N254 PolarHBondContact O-N 3.47Å; S252-N254 VanDerWaalsContact O-N 3.1Å
253T51.8Low46.5Very low127 Ų127135.6 Ų135.678%0.77978%0.777SS**  trans-41.7104.5172.1-45.90000113.1
254N41.2Very low46.5Very low159 Ų159137.3 Ų137.385%0.8578%0.781SS**  trans-143123.7155.6-84.2-67.3000108.7S252S252-N254 PolarHBondContact O-N 3.47Å; S252-N254 VanDerWaalsContact O-N 3.1Å
255S41.3Very low46.1Very low93 Ų93136.1 Ų136.165%0.6577%0.774SS**  trans-85.6163.9-155.5-58.50000115.6D257S255-D257 WeakPolarHBondContact CB-OD2 3.27Å; S255-D257 PolarHBondContact O-N 3.28Å
256S51.6Low45.6Very low120 Ų120134.5 Ų134.584%0.83977%0.771SS**  trans-92.949.4-165.253.60000114.6
257D51Low45.5Very low114 Ų114133 Ų13361%0.6177%0.773SS**  trans-104.55.9-162.4-62.7-55.5000116.6S255S255-D257 WeakPolarHBondContact CB-OD2 3.27Å; S255-D257 PolarHBondContact O-N 3.28Å
258N47.8Very low44.8Very low156 Ų156134 Ų13483%0.83478%0.779SS**SBendtrans-103.46.1-171.3-88.2-24.4000116.9
259I49.6Very low44.6Very low154 Ų154133.1 Ų133.179%0.7979%0.785SS**SBendtrans-112-12.8-174.4-63.1-173.1000114.3
260Y41.8Very low44Very low223 Ų223131 Ų13188%0.87579%0.787SS**SBendtrans-113.42.7-172.3-90.4-76.8000117.6
261T46.4Very low43.6Very low110 Ų110132.2 Ų132.268%0.67579%0.79SS**  trans-111.711.5-167.3-220000115.9
262M42.2Very low43.1Very low183 Ų183135.6 Ų135.690%0.90179%0.791SS**  trans-90.89.5178.6-73-165.4-72.400115.2
263I45.2Very low43.1Very low159 Ų159135.6 Ų135.682%0.81579%0.791SS**SBendtrans-101.7102.9164.6-65.6175.7000108P265I263-P265 VanDerWaalsContact O-CD 3.3Å; I263-P265 WeakPolarHBondContact O-CD 3.2Å
264N43.2Very low42.1Very low155 Ų155137 Ų13783%0.82979%0.793SS**  trans-61.8127.4-166.2-172.151.6000115.4
265P37.5Very low41.7Very low103 Ų103138.3 Ų138.367%0.66979%0.792SS**  trans-131.7117.4158.830.8-10.4000113.5I263I263-P265 VanDerWaalsContact O-CD 3.3Å; I263-P265 WeakPolarHBondContact O-CD 3.2Å
266V41.7Very low42.8Very low124 Ų124139.3 Ų139.375%0.75280%0.796SS**  trans18.3121.8146.7-1750000118.9
267P48.4Very low41.9Very low119 Ų119142.1 Ų142.177%0.77380%0.798SS**  trans-70.8141.3167.7-13.328.5000112.9G269P267-G269 PolarHBondContact O-N 3.36Å
268P44.8Very low41.5Very low133 Ų133140 Ų14086%0.86480%0.803SS**  trans-85.6116.1-174.331.4-34.2000114.9
269G36.3Very low41.6Very low82 Ų82139.4 Ų139.485%0.84581%0.807SS**  trans86.696.4131.800000119.9P267P267-G269 PolarHBondContact O-N 3.36Å
270G33.8Very low40.8Very low83 Ų83135.1 Ų135.186%0.85680%0.801SS**  trans-157101.716300000111.7
271S34.1Very low40.9Very low110 Ų110129.6 Ų129.677%0.76980%0.796SS**  trans-96.4135.5-162.3-46.20000114.9
272R36.6Very low40.6Very low234 Ų234132.4 Ų132.488%0.88381%0.806SS**  155.3107.6123.5-84.2170.7-172.9-144.31.1115.2
273S38.6Very low40.4Very low107 Ų107127.1 Ų127.175%0.74880%0.799SS**  26.7127.4128.859.40000123.1
274N30.8Very low40.4Very low155 Ų155126.2 Ų126.283%0.82980%0.804SS**  trans94.3134.4138.9-148.363.9000120.9
275F33Very low40.7Very low188 Ų188128.3 Ų128.383%0.82581%0.811SS**  trans-63.8176.9173.5-62.7-88.2000113.6
276P63.8Low40.7Very low113 Ų113127.2 Ų127.273%0.73482%0.819SS**  cis-138.3179.86.640.8-21.9000117.1
277M34Very low40.5Very low180 Ų180124.5 Ų124.589%0.88782%0.815SS**  trans142.7128.6137.8-74.4-146.8-69.300113.9
278G41.6Very low40.1Very low69 Ų69128.4 Ų128.471%0.71183%0.825SS**  trans-88.5-159155.500000110.6
279P49.7Very low39.7Very low143 Ų143125.8 Ų125.893%0.92982%0.823SS**  cis-128.6-173.65.542.4-26.5000113.9
280G34Very low39.8Very low64 Ų64125.3 Ų125.366%0.6682%0.818SS**  trans145.292.3167.800000111.4
281S42.2Very low39.9Very low108 Ų108130.6 Ų130.676%0.75582%0.823SS**  71.493.780.971.70000113.6
282D40.8Very low39.8Very low168 Ų168134 Ų13490%0.89883%0.826SS**  -170.1136.6119.7-87.3-26.4000110.4
283G37.3Very low40.5Very low73 Ų73126.7 Ų126.775%0.75381%0.809SS**  trans-91.3-161.6-177.600000113.5
284P46.5Very low40.7Very low140 Ų140129.6 Ų129.691%0.90981%0.811SS**  cis-117.317525.238.3-26.1000115.7
285M48.2Very low41Very low198 Ų198131.7 Ų131.798%0.97582%0.815SS**  trans-113153.7-157.8-162.2-169.6-150.300113.4
286G38.3Very low41.7Very low81 Ų81132 Ų13284%0.83582%0.822SS**  trans153115.1158.700000113.6
287G37.1Very low40.3Very low66 Ų66134.9 Ų134.968%0.6883%0.831SS**  cis-176.7176.6-4.800000112.2
288M41.1Very low40.3Very low201 Ų201129 Ų12999%0.9982%0.817SS**  trans68.7127.2176.5-54.4166.971.200116.3
289G36.1Very low40.1Very low79 Ų79131 Ų13181%0.81482%0.819SS**  cis150.2105.1-13.500000114.9
290G37.3Very low39.8Very low71 Ų71132.5 Ų132.573%0.73282%0.819SS**  trans69.7149.2162.700000117.7
291M36.6Very low39.8Very low195 Ų195133.3 Ų133.396%0.96183%0.827SS**  cis-148.4155.5-4.3-89.2110.3164.600110.5
292E33Very low39.9Very low180 Ų180133.5 Ų133.584%0.84183%0.829SS**  trans-103.9-172.9177.8-155.8169.7138.200108.9
293P49.5Very low39.9Very low82 Ų82129 Ų12953%0.53282%0.822SS.*  -128.2-170.7-73.343.5-32.4000116.4
294H43.3Very low40.4Very low167 Ų167132.1 Ų132.177%0.77382%0.821SS**  trans61.8123.9147.9-58.9-41.2000122.1
295H38.7Very low41Very low199 Ų199133.2 Ų133.292%0.92182%0.818SS**  trans-134.5145.1150.4-44.5-42.1000110.1
296M46.8Very low41Very low195 Ų195131.6 Ų131.696%0.96181%0.813SS**  trans-140.9117.1-179.1-173.2165.9-175.200110.4
297N35.3Very low40.9Very low173 Ų173131.1 Ų131.193%0.92581%0.808SS**  trans-173.9147.5174.9-1515.3000106.7
298G33.3Very low41.4Very low58 Ų58136.3 Ų136.360%0.59882%0.819SS**  cis171.1121.8100000105
299S37.9Very low41.8Very low109 Ų109131.9 Ų131.976%0.76281%0.806SS**  75.4130.695.4-153.90000116.8
300L43Very low41.9Very low175 Ų175138 Ų13892%0.91681%0.81SS**  trans79.9136.3164.8-47.7-177.7000120.5
301G33.6Very low42.1Very low81 Ų81141.9 Ų141.984%0.83581%0.814SS**  trans152.796.5160.100000115.6
302S43.7Very low41.9Very low113 Ų113138 Ų13879%0.7981%0.805SS**  trans-81.6165.2174.4-1460000112.8D304S302-D304 PolarHBondContact OG-OD2 3.2Å
303G41.7Very low42.4Very low73 Ų73135.4 Ų135.475%0.75380%0.804SS**  trans-170.645.4-17800000115.7I305G303-I305 PolarHBondContact O-N 3.15Å
304D47.8Very low41.9Very low139 Ų139139.3 Ų139.374%0.74382%0.821SS**  trans-72.4111.9177.8-43.1-92.2000111.5S302S302-D304 PolarHBondContact OG-OD2 3.2Å
305I58.1Low41.7Very low163 Ų163138.2 Ų138.284%0.83682%0.821SS**  trans-140.1110162.9-61.5-174.6000110G303G303-I305 PolarHBondContact O-N 3.15Å
306D49Very low42Very low164 Ų164136.1 Ų136.188%0.87782%0.815SS**  trans-68.3144.6168.8-75-64.5000112.5
307G36.7Very low41.6Very low71 Ų71132.7 Ų132.773%0.73281%0.81SS**  trans-175.854.7-175.700000119.1
308L47.3Very low42.2Very low174 Ų174127.5 Ų127.591%0.91180%0.798SS**  trans73.7158.3159.7-67.3169.6000118.3
309P48.1Very low42.6Very low109 Ų109132.7 Ų132.771%0.70881%0.81SS**PPolyproline II helixtrans-101.5147.4-137.436.9-36.5000115.9
310K39.3Very low42.6Very low208 Ų208133.3 Ų133.390%0.90481%0.814SS**PPolyproline II helixtrans-93.7118.9160.1-72.5-178.2178.6175.90109.8S312K310-S312 PolarHBondContact O-N 3.1Å
311N40.5Very low42.4Very low152 Ų152132.2 Ų132.281%0.81381%0.809SS**PPolyproline II helixtrans-62117.8172.3-82.8-53.1000111.3
312S33.1Very low43.1Very low112 Ų112133.5 Ų133.578%0.78380%0.803SS**  trans-177.196.2149.4-82.80000110.4K310 N314K310-S312 PolarHBondContact O-N 3.1Å; S312-N314 PolarHBondContact O-N 3.29Å
313P44.8Very low43.2Very low126 Ų126134.9 Ų134.982%0.81881%0.809SS**  trans-84.1109.2166.531.9-27.8000109.3
314N37.6Very low43Very low165 Ų165134.7 Ų134.788%0.88281%0.807SS**  trans-130.3120.7157.2-112.7-19.4000109.1S312S312-N314 PolarHBondContact O-N 3.29Å
315N38.5Very low42.8Very low144 Ų144134 Ų13477%0.7781%0.808SS**SBendtrans91.4106158.5-139.26000120.1
316I44.9Very low42.1Very low154 Ų154132.9 Ų132.979%0.7981%0.811SS**  trans55.8114.5144.1-95.760000120.1
317S39.1Very low41.8Very low124 Ų124136 Ų13687%0.86781%0.811SS**  trans-146.2117.6143.553.60000108.8
318G47.4Very low42.2Very low64 Ų64139.4 Ų139.466%0.6681%0.812SS**  trans131.468.1-176.700000114.5
319I42.3Very low42Very low167 Ų167138.1 Ų138.186%0.85681%0.806SS**  trans-18093.3140.2-87.4147.4000104.9
320S39.2Very low41.6Very low121 Ų121136.7 Ų136.785%0.84681%0.811SS**  trans-11096.9172.7-62.20000107.6
321N37.8Very low41.7Very low153 Ų153135.6 Ų135.682%0.81881%0.809SS**  trans-132123.3167.4-11339.5000108.9
322P47.4Very low41.7Very low108 Ų108136.9 Ų136.970%0.70182%0.815SS**  trans-75.3163177.332-34.7000111.7G324P322-G324 PolarHBondContact O-N 3.38Å
323P46.9Very low41.9Very low141 Ų141135.4 Ų135.492%0.91682%0.818SS**  trans-73.5111.1-179.829.7-33.5000110.8
324G37.4Very low41.5Very low69 Ų69132.4 Ų132.471%0.71181%0.81SS**  trans-150.1141.6176.700000110.9P322P322-G324 PolarHBondContact O-N 3.38Å
325T44.2Very low41.3Very low125 Ų125131.8 Ų131.877%0.76781%0.807SS**  trans-50.5143.2178.349.80000112.9R327T325-R327 PolarHBondContact O-N 2.93Å; T325-R327 VanDerWaalsContact O-N 3.15Å
326P41.9Very low41.2Very low139 Ų139134.7 Ų134.790%0.90381%0.813SS**  trans-61.7119.8167.8-13.828.2000108.9
327R44Very low40.9Very low230 Ų230134.1 Ų134.187%0.86881%0.81SS**  trans-113.9146.2170.2-171.1169.2-179.9142.20.4107.9T325T325-R327 PolarHBondContact O-N 2.93Å; T325-R327 VanDerWaalsContact O-N 3.15Å
328D45Very low40.8Very low143 Ų143136.2 Ų136.277%0.76581%0.806SS**  trans-68.9-170.4-167.3-132.7-70.7000115.1
329D43.4Very low40Very low146 Ų146137 Ų13778%0.78180%0.802SS**  trans79.5118.8178.2-45-49.7000113.1
330G38Very low39.6Very low79 Ų79137.3 Ų137.381%0.81480%0.797SS**  cis102.2133.945.100000107.6
331E41.5Very low39.5Very low186 Ų186139.8 Ų139.887%0.86980%0.795SS**  cis-170153.916.5-177.9-174.6145.400107.5
332L41.6Very low39.3Very low178 Ų178140.1 Ų140.193%0.93280%0.797SS**  trans152.2111.8153.7-86.7161.7000110.7
333G36.7Very low38.7Very low81 Ų81143.2 Ų143.284%0.83581%0.808SS**  trans168-7.7171.300000122.6
334G35.8Very low38.1Very low64 Ų64143.2 Ų143.266%0.6680%0.8SS**  trans65.997.4157.300000121
335N33.8Very low37.9Very low152 Ų152150.6 Ų150.681%0.81381%0.808SS**  49111123.7-57.7-20.6000122.3
336F36.6Very low37.5Very low204 Ų204149.1 Ų149.190%0.89580%0.803SS**  -143.3106.6127.8-78.4-74.7000111
337L38.8Very low37.8Very low142 Ų142148.6 Ų148.674%0.74380%0.8SS**  trans23.1136.5146-56.2167.7000119.4
338H37.3Very low37.4Very low169 Ų169143 Ų14378%0.78280%0.795SS**  cis-172152.1-0.9-129.7168.5000109.1
339S31.5Very low37.2Very low80 Ų80145.3 Ų145.356%0.55980%0.804SS**  trans44.5135.2149.6-132.60000120.6
340F33.9Very low37.1Very low174 Ų174144.2 Ų144.276%0.76380%0.803SS**  cis-147.1140.537.3-71.5-94.7000113.9
341Q36.1Very low37.3Very low173 Ų173149.5 Ų149.581%0.80881%0.808SS**  trans48.2109.6142.7-71.6160.7-37.100120.3
342N34.3Very low37.1Very low159 Ų159145.3 Ų145.385%0.8580%0.8SS**  trans-52144.7148.4-77.3-46.4000111.1
343D34.2Very low37Very low173 Ų173143.1 Ų143.193%0.92579%0.793SS**  -145141129.8-106.4-43.4000110.9
344N33.9Very low37.1Very low141 Ų141144.5 Ų144.575%0.75479%0.79SS**  trans-99.1115.6-162.6-177.627.5000110.9
345Y33.3Very low37.6Very low224 Ų224147.4 Ų147.488%0.87880%0.797SS**  trans-145.8111.6168.9-127.5-87.4000113.1
346S36.6Very low37.9Very low94 Ų94147.6 Ų147.666%0.65780%0.798SS**  trans-83.7140.2172.9-58.60000111.3
347P47.7Very low38Very low129 Ų129144 Ų14484%0.83879%0.787SS**  trans-104.987.816434.7-27000111.1
348S34.5Very low38.1Very low111 Ų111147 Ų14778%0.77679%0.789SS**  trans-77.8115.7155.558.90000108.7
349M42Very low38.2Very low193 Ų193145.8 Ų145.895%0.95179%0.788SS**  trans28.9108.6160.9-73.7172.3160.900118.4
350T40Very low38.7Very low122 Ų122146.9 Ų146.975%0.74880%0.802SS**  trans-139.7127.8142.8-1790000111.1S352T350-S352 PolarHBondContact O-N 3.5Å
351M43.3Very low39.1Very low190 Ų190151.4 Ų151.494%0.93683%0.825SS**  trans-71.6103.1168.5-76.4-79.6-163.200108.1
352S37.9Very low39.2Very low99 Ų99150.3 Ų150.369%0.69283%0.826SS**  trans-101.296.8175.8-61.40000110.9T350T350-S352 PolarHBondContact O-N 3.5Å
353V39.5Very low39.5Very low131 Ų131149.8 Ų149.879%0.79483%0.825SS**PPolyproline II helixtrans-54.2133.8167.7170.30000110P355V353-P355 VanDerWaalsContact O-CD 3.3Å; V353-P355 WeakPolarHBondContact O-CD 3.3Å
354S37.8Very low39.8Very low110 Ų110148.6 Ų148.677%0.76982%0.819SS**PPolyproline II helixtrans-62.4125175.7-440000112.2
355P46.9Very low40.1Very low125 Ų125149 Ų14981%0.81282%0.823SS**PPolyproline II helixtrans-86.6118.1157.4-0.120.6000108.6V353V353-P355 VanDerWaalsContact O-CD 3.3Å; V353-P355 WeakPolarHBondContact O-CD 3.3Å
356L40Very low40.5Very low156 Ų156144.3 Ų144.382%0.81782%0.819SS**PPolyproline II helixtrans-71.1151.5162.1-90.1161.3000110.5
357L39.2Very low40.8Very low128 Ų128147.7 Ų147.767%0.6783%0.83SS**  trans86.9142.7147.4-114.375.9000121
358R41Very low40.3Very low206 Ų206149 Ų14978%0.77783%0.83SS**  trans84.7106.1161.6-64.6165.4-172.4172.45.8115.7
359D38.9Very low40.7Very low144 Ų144151.9 Ų151.977%0.7783%0.834SS**  88.4123.658.3-79-51.2000110.9
360A41.9Very low40.6Very low103 Ų103148.5 Ų148.585%0.85182%0.824SS**  trans52137.2166.200000117.3
361E41.1Very low40.7Very low268 Ų268150.9 Ų150.9100%1.25283%0.831SS**  cis-151.5031-167.8174.313200110.5

Retrieved 361 of 361 residues in 157.6 ms (Link to these results)